| 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 | 36.3 | Very low | 32.4 | Very low | 244 Ų | 244 | 126.1 Ų | 126.1 | 100% | 1.202 | 81% | 0.808 | S | S | * | * | 0 | 130 | 0 | -68.8 | -168.1 | -155.3 | 0 | 0 | 108.2 | |||||
| 2 | A | 35.9 | Very low | 32.3 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | 43.7 | 123.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 3 | S | 35.8 | Very low | 32.2 | Very low | 114 Ų | 114 | 131.8 Ų | 131.8 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | cis | 74.7 | 103.7 | 44.4 | 80.3 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 4 | S | 36.6 | Very low | 32.6 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | 171.4 | 127.9 | 142.1 | 56.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 5 | V | 34.7 | Very low | 32.8 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | cis | 82.1 | 121.6 | 49.1 | -176.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 6 | G | 29.7 | Very low | 33.5 | Very low | 66 Ų | 66 | 135.2 Ų | 135.2 | 68% | 0.68 | 82% | 0.815 | S | S | * | * | trans | 101 | 144.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 7 | N | 28.9 | Very low | 34.1 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | cis | -171.8 | 135.4 | -1.1 | -116.1 | -1.8 | 0 | 0 | 0 | 105.3 | ||||
| 8 | V | 30.2 | Very low | 35.2 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 77% | 0.77 | 82% | 0.816 | S | S | * | * | 74.9 | 128 | 101.9 | -179.4 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 9 | A | 28.7 | Very low | 36.4 | Very low | 83 Ų | 83 | 139.4 Ų | 139.4 | 69% | 0.686 | 80% | 0.8 | S | S | * | * | trans | 85.3 | 114.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 10 | D | 30.9 | Very low | 38.4 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | -175.8 | 106.4 | 106.2 | -101.9 | -4.4 | 0 | 0 | 0 | 108.4 | |||||
| 11 | S | 28.8 | Very low | 40.7 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | 50.9 | 93.8 | 96.2 | 73.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 12 | T | 31.6 | Very low | 42.9 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | trans | -147.8 | 113.2 | 136.7 | 35 | 0 | 0 | 0 | 0 | 108.4 | P14 | T12-P14 WeakPolarHBondContact O-CD 3.42Š| ||
| 13 | E | 30.1 | Very low | 45.2 | Very low | 192 Ų | 192 | 123.8 Ų | 123.8 | 90% | 0.897 | 71% | 0.707 | S | S | * | * | trans | -55.4 | 122.6 | 161 | -75 | 177.6 | 129 | 0 | 0 | 108.9 | T15 | E13-T15 PolarHBondContact O-N 2.8Š| ||
| 14 | P | 37.6 | Very low | 47.7 | Very low | 117 Ų | 117 | 118.8 Ų | 118.8 | 76% | 0.76 | 67% | 0.672 | S | S | * | * | trans | -80.7 | 109.9 | 150 | 28.2 | -16.4 | 0 | 0 | 0 | 105.2 | T12 K16 | T12-P14 WeakPolarHBondContact O-CD 3.42Å; P14-K16 PolarHBondContact O-N 3.31Å | ||
| 15 | T | 36.5 | Very low | 50.1 | Low | 122 Ų | 122 | 114.4 Ų | 114.4 | 75% | 0.748 | 64% | 0.642 | S | S | * | * | trans | -20.4 | 123 | 157.1 | -4.3 | 0 | 0 | 0 | 0 | 110.2 | E13 R17 | E13-T15 PolarHBondContact O-N 2.8Å; T15-R17 PolarHBondContact O-N 3.38Å | ||
| 16 | K | 43.1 | Very low | 52.7 | Low | 210 Ų | 210 | 112.1 Ų | 112.1 | 91% | 0.913 | 62% | 0.621 | S | S | * | * | trans | -55 | 79.8 | 165.6 | -85.6 | 178.2 | 175.3 | 173.1 | 0 | 108.4 | P14 M18 | P14-K16 PolarHBondContact O-N 3.31Å; K16-M18 VanDerWaalsContact C-N 3.34Å; K16-M18 PolarHBondContact O-N 2.88Å; K16-M18 VanDerWaalsContact O-N 3.09Å | ||
| 17 | R | 45.1 | Very low | 55.6 | Low | 223 Ų | 223 | 111.8 Ų | 111.8 | 84% | 0.842 | 60% | 0.604 | S | S | * | * | trans | -65.4 | 106.2 | 155.4 | -85.3 | -175.9 | 173.1 | -178.3 | -1.5 | 103 | T15 L19 | T15-R17 PolarHBondContact O-N 3.38Å; R17-L19 VanDerWaalsContact C-N 3.26Å; R17-L19 PolarHBondContact O-N 2.67Å | ||
| 18 | M | 53.1 | Low | 58.5 | Low | 166 Ų | 166 | 104.7 Ų | 104.7 | 82% | 0.818 | 57% | 0.566 | S | S | * | * | trans | -49.3 | 106.5 | 158.8 | -77.3 | 178.9 | 74.1 | 0 | 0 | 105.2 | K16 S20 | K16-M18 VanDerWaalsContact C-N 3.34Å; K16-M18 PolarHBondContact O-N 2.88Å; K16-M18 VanDerWaalsContact O-N 3.09Å; M18-S20 PolarHBondContact O-N 2.85Å | ||
| 19 | L | 58.6 | Low | 61.4 | Low | 96 Ų | 96 | 103 Ų | 103 | 50% | 0.503 | 55% | 0.549 | S | S | . | . | trans | -52.2 | 132.8 | 171.5 | -79.9 | 161.4 | 0 | 0 | 0 | 105.6 | R17 L24 L27 | R17-L19 VanDerWaalsContact C-N 3.26Å; R17-L19 PolarHBondContact O-N 2.67Å; L19-L24 HydrophobicContact CB-CB 4.11Å; L19-L24 HydrophobicContact CD1-CD1 4.22Å; L19-L27 HydrophobicContact CD1-CD2 4.21Å | ||
| 20 | S | 76.1 | Confident | 64.3 | Low | 78 Ų | 78 | 107 Ų | 107 | 55% | 0.545 | 55% | 0.547 | S | S | . | . | trans | -53.6 | 151.4 | 169.3 | 57.8 | 0 | 0 | 0 | 0 | 108.2 | M18 Q22 G23 L24 | M18-S20 PolarHBondContact O-N 2.85Å; S20-Q22 PolarHBondContact O-N 2.75Å; S20-G23 PolarHBondContact O-N 3.06Å; S20-G23 PolarHBondContact OG-N 3.04Å; S20-L24 PolarHBondContact O-N 3.09Å | ||
| 21 | F | 85.5 | Confident | 67.2 | Low | 52 Ų | 52 | 101.6 Ų | 101.6 | 23% | 0.228 | 52% | 0.516 | C | S | . | . | H | α-helix | trans | -44.6 | -43 | 178.1 | -176.9 | -86.4 | 0 | 0 | 0 | 111.7 | L24 A25 L47 E51 N54 V57 | F21-L24 PolarHBondContact O-N 3.24Å; F21-A25 WeakPolarHBondContact O-CB 3.31Å; F21-A25 PolarHBondContact O-N 3.26Å; F21-L47 HydrophobicContact CD1-CD2 4.31Å; F21-L47 HydrophobicContact CD2-CD2 3.5Å; F21-L47 HydrophobicContact CE1-CD2 4.34Å; F21-L47 HydrophobicContact CE2-CB 4.13Å; F21-L47 HydrophobicContact CE2-CD2 3.54Å; F21-L47 HydrophobicContact CE2-CG 4.47Å; F21-L47 HydrophobicContact CG-CD2 3.91Å; F21-L47 HydrophobicContact CZ-CB 4.47Å; F21-L47 HydrophobicContact CZ-CD2 3.97Å; F21-L47 WeakPolarHBondContact O-CD2 3.38Å; F21-E51 HydrophobicContact CD2-CG 4.3Å; F21-E51 HydrophobicContact CE2-CB 3.9Å; F21-E51 HydrophobicContact CE2-CG 3.78Å; F21-E51 HydrophobicContact CZ-CB 4.21Å; F21-E51 HydrophobicContact CZ-CG 4.28Å; F21-E51 VanDerWaalsContact CZ-OE2 3.32Å; F21-E51 WeakPolarHBondContact CZ-OE2 3.49Å; F21-N54 WeakPolarHBondContact CE1-ND2 3.45Å; F21-N54 HydrophobicContact CZ-CB 4.3Å; F21-N54 VanDerWaalsContact CZ-ND2 3.28Å; F21-N54 WeakPolarHBondContact CZ-ND2 3.17Å; F21-V57 HydrophobicContact CZ-CG2 3.97Å |
| 22 | Q | 82.4 | Confident | 70.2 | Confident | 139 Ų | 139 | 99.8 Ų | 99.8 | 65% | 0.65 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.6 | -43.2 | 177.4 | -159.5 | 166.2 | 5 | 0 | 0 | 113.7 | S20 L24 A25 E26 | S20-Q22 PolarHBondContact O-N 2.75Å; Q22-L24 PolarHBondContact O-N 3.45Å; Q22-A25 PolarHBondContact O-N 2.86Å; Q22-E26 WeakPolarHBondContact O-CG 3.32Å; Q22-E26 PolarHBondContact O-N 3.37Å |
| 23 | G | 85.8 | Confident | 73 | Confident | 19 Ų | 19 | 100.7 Ų | 100.7 | 20% | 0.196 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -67.6 | -35 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | S20 L27 | S20-G23 PolarHBondContact O-N 3.06Å; S20-G23 PolarHBondContact OG-N 3.04Å; G23-L27 PolarHBondContact O-N 3.11Å; G23-L27 VanDerWaalsContact O-N 3.15Å |
| 24 | L | 87.1 | Confident | 75.8 | Confident | 9 Ų | 9 | 95.6 Ų | 95.6 | 5% | 0.047 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -73.3 | -34.8 | 175.4 | -172.2 | 67.9 | 0 | 0 | 0 | 111.6 | L19 S20 F21 Q22 L27 A28 H43 Q46 L47 | L19-L24 HydrophobicContact CB-CB 4.11Å; L19-L24 HydrophobicContact CD1-CD1 4.22Å; S20-L24 PolarHBondContact O-N 3.09Å; F21-L24 PolarHBondContact O-N 3.24Å; Q22-L24 PolarHBondContact O-N 3.45Å; L24-L27 HydrophobicContact CD1-CD2 4.5Å; L24-L27 PolarHBondContact O-N 3.45Å; L24-A28 PolarHBondContact O-N 3.1Å; L24-H43 HydrophobicContact CD1-CB 3.97Å; L24-H43 HydrophobicContact CG-CB 4.39Å; L24-Q46 HydrophobicContact CD2-CB 4.23Å; L24-Q46 HydrophobicContact CD2-CG 3.92Å; L24-L47 HydrophobicContact CB-CD2 3.92Å; L24-L47 HydrophobicContact CB-CG 4.37Å; L24-L47 HydrophobicContact CD2-CD2 3.84Å; L24-L47 HydrophobicContact CD2-CG 3.82Å; L24-L47 HydrophobicContact CG-CD1 4.26Å; L24-L47 HydrophobicContact CG-CD2 4.01Å; L24-L47 HydrophobicContact CG-CG 3.96Å |
| 25 | A | 87.5 | Confident | 78.1 | Confident | 22 Ų | 22 | 92 Ų | 92 | 18% | 0.182 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -66.7 | -39.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F21 Q22 H29 L47 | F21-A25 WeakPolarHBondContact O-CB 3.31Å; F21-A25 PolarHBondContact O-N 3.26Å; Q22-A25 PolarHBondContact O-N 2.86Å; A25-H29 PolarHBondContact O-N 2.74Å; A25-H29 VanDerWaalsContact O-N 3.09Å; A25-H29 PolarHBondContact O-ND1 2.75Å; A25-L47 VanDerWaalsContact CA-CD1 3.48Å; A25-L47 HydrophobicContact CB-CD1 3.92Å; A25-L47 HydrophobicContact CB-CD2 4.45Å |
| 26 | E | 89.1 | Confident | 80.7 | Confident | 105 Ų | 105 | 90.1 Ų | 90.1 | 49% | 0.491 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.5 | -40.5 | 173.5 | -75.9 | 177.7 | -167.8 | 0 | 0 | 112 | Q22 H29 R30 | Q22-E26 WeakPolarHBondContact O-CG 3.32Å; Q22-E26 PolarHBondContact O-N 3.37Å; E26-H29 PolarHBondContact O-N 2.97Å; E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 2.64Å |
| 27 | L | 91 | Very high | 83 | Confident | 59 Ų | 59 | 82.8 Ų | 82.8 | 31% | 0.309 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -61.2 | -48.6 | 175.6 | 179.9 | 61.1 | 0 | 0 | 0 | 111 | L19 G23 L24 H29 R30 E31 | L19-L27 HydrophobicContact CD1-CD2 4.21Å; G23-L27 PolarHBondContact O-N 3.11Å; G23-L27 VanDerWaalsContact O-N 3.15Å; L24-L27 HydrophobicContact CD1-CD2 4.5Å; L24-L27 PolarHBondContact O-N 3.45Å; L27-H29 VanDerWaalsContact C-N 3.3Å; L27-H29 PolarHBondContact O-N 3.09Å; L27-R30 PolarHBondContact O-N 3.31Å; L27-R30 VanDerWaalsContact O-N 3.12Å; L27-E31 HydrophobicContact CD1-CG 4.26Å; L27-E31 HydrophobicContact CG-CG 4.47Å; L27-E31 WeakPolarHBondContact O-CG 3.48Å; L27-E31 PolarHBondContact O-N 3.01Å |
| 28 | A | 90.3 | Very high | 85.1 | Confident | 0 Ų | 0 | 78.8 Ų | 78.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.2 | -38 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | L24 Y32 H43 L47 L60 | L24-A28 PolarHBondContact O-N 3.1Å; A28-Y32 WeakPolarHBondContact O-CB 3.45Å; A28-Y32 PolarHBondContact O-N 3.28Å; A28-H43 HydrophobicContact CB-CB 4.04Å; A28-L47 HydrophobicContact CB-CD1 4.4Å; A28-L60 HydrophobicContact CB-CD2 4.19Å |
| 29 | H | 89.5 | Confident | 86.8 | Confident | 90 Ų | 90 | 71.3 Ų | 71.3 | 42% | 0.417 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 173.5 | -85.9 | 79.7 | 0 | 0 | 0 | 112.5 | A25 E26 L27 Y32 Q33 L60 | A25-H29 PolarHBondContact O-N 2.74Å; A25-H29 VanDerWaalsContact O-N 3.09Å; A25-H29 PolarHBondContact O-ND1 2.75Å; E26-H29 PolarHBondContact O-N 2.97Å; L27-H29 VanDerWaalsContact C-N 3.3Å; L27-H29 PolarHBondContact O-N 3.09Å; H29-Y32 PolarHBondContact O-N 3.45Å; H29-Q33 WeakPolarHBondContact O-CB 3.25Å; H29-Q33 WeakPolarHBondContact O-CG 3.27Å; H29-Q33 PolarHBondContact O-N 3.46Å; H29-L60 WeakPolarHBondContact ND1-CD2 3.15Å |
| 30 | R | 90.5 | Very high | 88.4 | Confident | 169 Ų | 169 | 66.8 Ų | 66.8 | 64% | 0.638 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.8 | -41.9 | 177.6 | -75.8 | -177.2 | -174 | 170.1 | 6.3 | 112 | E26 L27 Q33 A34 | E26-R30 WeakPolarHBondContact O-CG 3.34Å; E26-R30 PolarHBondContact O-N 2.64Å; L27-R30 PolarHBondContact O-N 3.31Å; L27-R30 VanDerWaalsContact O-N 3.12Å; R30-Q33 PolarHBondContact O-N 3.29Å; R30-A34 WeakPolarHBondContact O-CB 3.39Å; R30-A34 PolarHBondContact O-N 3.27Å |
| 31 | E | 92.1 | Very high | 89.2 | Confident | 32 Ų | 32 | 64.3 Ų | 64.3 | 15% | 0.15 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 176.5 | -71.3 | 170.1 | 165.2 | 0 | 0 | 111.2 | L27 Q33 A34 G35 D36 A39 A40 H43 | L27-E31 HydrophobicContact CD1-CG 4.26Å; L27-E31 HydrophobicContact CG-CG 4.47Å; L27-E31 WeakPolarHBondContact O-CG 3.48Å; L27-E31 PolarHBondContact O-N 3.01Å; E31-Q33 PolarHBondContact O-N 3.05Å; E31-A34 PolarHBondContact O-N 3.45Å; E31-G35 PolarHBondContact O-N 3.23Å; E31-G35 VanDerWaalsContact O-N 3.16Å; E31-D36 PolarHBondContact O-N 3.04Å; E31-A39 HydrophobicContact CG-CB 4.29Å; E31-A40 HydrophobicContact CB-CB 3.82Å; E31-A40 WeakPolarHBondContact OE2-CA 3.38Å; E31-A40 PolarHBondContact OE2-N 3.5Å; E31-H43 VanDerWaalsContact CD-ND1 3.28Å; E31-H43 IonicContact OE1-CE1 2.71Å; E31-H43 PolarHBondContact OE1-CE1 3.3Å; E31-H43 IonicContact OE1-ND1 2.82Å; E31-H43 PolarHBondContact OE1-ND1 2.79Å; E31-H43 IonicContact OE2-CE1 3.08Å; E31-H43 IonicContact OE2-CG 2.79Å; E31-H43 IonicContact OE2-ND1 3.03Å; E31-H43 PolarHBondContact OE2-ND1 2.79Å |
| 32 | Y | 92.1 | Very high | 89.5 | Confident | 60 Ų | 60 | 68.8 Ų | 68.8 | 24% | 0.235 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 173 | 173.8 | -100.5 | 0 | 0 | 0 | 112.2 | A28 H29 A34 G35 F37 L60 I64 Q67 | A28-Y32 WeakPolarHBondContact O-CB 3.45Å; A28-Y32 PolarHBondContact O-N 3.28Å; H29-Y32 PolarHBondContact O-N 3.45Å; Y32-A34 VanDerWaalsContact C-N 3.28Å; Y32-A34 PolarHBondContact O-N 3.42Å; Y32-G35 PolarHBondContact O-N 2.8Å; Y32-G35 VanDerWaalsContact O-N 3.1Å; Y32-F37 AromaticContact CD2-CD1 3.81Å; Y32-F37 HydrophobicContact CD2-CD1 3.81Å; Y32-F37 AromaticContact CD2-CE1 3.74Å; Y32-F37 HydrophobicContact CD2-CE1 3.74Å; Y32-F37 HydrophobicContact CE2-CD1 4.16Å; Y32-F37 AromaticContact CE2-CE1 3.8Å; Y32-F37 HydrophobicContact CE2-CE1 3.8Å; Y32-L60 HydrophobicContact CD1-CD1 3.97Å; Y32-L60 HydrophobicContact CD2-CD1 4.1Å; Y32-L60 HydrophobicContact CG-CD1 3.72Å; Y32-I64 HydrophobicContact CD2-CG1 3.57Å; Y32-I64 HydrophobicContact CE2-CG1 4.2Å; Y32-I64 HydrophobicContact CG-CG1 4.39Å; Y32-Q67 HydrophobicContact CE2-CG 3.89Å |
| 33 | Q | 89.5 | Confident | 89.9 | Confident | 154 Ų | 154 | 64 Ų | 64 | 72% | 0.72 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -64.9 | -30.7 | 177.6 | -74.2 | 177.5 | -16.2 | 0 | 0 | 112.9 | H29 R30 E31 G35 | H29-Q33 WeakPolarHBondContact O-CB 3.25Å; H29-Q33 WeakPolarHBondContact O-CG 3.27Å; H29-Q33 PolarHBondContact O-N 3.46Å; R30-Q33 PolarHBondContact O-N 3.29Å; E31-Q33 PolarHBondContact O-N 3.05Å; Q33-G35 VanDerWaalsContact C-N 3.27Å |
| 34 | A | 89.5 | Confident | 90.2 | Very high | 86 Ų | 86 | 63.1 Ų | 63.1 | 71% | 0.711 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -7.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | R30 E31 Y32 | R30-A34 WeakPolarHBondContact O-CB 3.39Å; R30-A34 PolarHBondContact O-N 3.27Å; E31-A34 PolarHBondContact O-N 3.45Å; Y32-A34 VanDerWaalsContact C-N 3.28Å; Y32-A34 PolarHBondContact O-N 3.42Å |
| 35 | G | 85.7 | Confident | 90.4 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 41% | 0.412 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 6.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | E31 Y32 Q33 F37 | E31-G35 PolarHBondContact O-N 3.23Å; E31-G35 VanDerWaalsContact O-N 3.16Å; Y32-G35 PolarHBondContact O-N 2.8Å; Y32-G35 VanDerWaalsContact O-N 3.1Å; Q33-G35 VanDerWaalsContact C-N 3.27Å; G35-F37 VanDerWaalsContact C-N 3.3Å; G35-F37 WeakPolarHBondContact O-CD2 3.25Å; G35-F37 PolarHBondContact O-N 3.29Å; G35-F37 VanDerWaalsContact O-N 3.09Å |
| 36 | D | 91.2 | Very high | 90.6 | Very high | 84 Ų | 84 | 68 Ų | 68 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | trans | -85 | 74.5 | 173.8 | -169.4 | -13.8 | 0 | 0 | 0 | 110.3 | E31 E38 A39 A40 | E31-D36 PolarHBondContact O-N 3.04Å; D36-E38 PolarHBondContact O-N 2.94Å; D36-A39 HydrophobicContact CB-CB 4.44Å; D36-A39 WeakPolarHBondContact OD1-CB 3.35Å; D36-A39 PolarHBondContact OD1-N 3.26Å; D36-A39 VanDerWaalsContact OD1-N 3.14Å; D36-A39 WeakPolarHBondContact OD2-CB 3.42Å; D36-A40 WeakPolarHBondContact O-CB 3.47Å; D36-A40 PolarHBondContact O-N 3.42Å; D36-A40 VanDerWaalsContact O-N 3.08Å | ||
| 37 | F | 90.8 | Very high | 90.6 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -66.9 | -24.3 | -174.8 | -56.8 | -55 | 0 | 0 | 0 | 113.7 | Y32 G35 E41 I64 Q67 C68 | Y32-F37 AromaticContact CD2-CD1 3.81Å; Y32-F37 HydrophobicContact CD2-CD1 3.81Å; Y32-F37 AromaticContact CD2-CE1 3.74Å; Y32-F37 HydrophobicContact CD2-CE1 3.74Å; Y32-F37 HydrophobicContact CE2-CD1 4.16Å; Y32-F37 AromaticContact CE2-CE1 3.8Å; Y32-F37 HydrophobicContact CE2-CE1 3.8Å; G35-F37 VanDerWaalsContact C-N 3.3Å; G35-F37 WeakPolarHBondContact O-CD2 3.25Å; G35-F37 PolarHBondContact O-N 3.29Å; G35-F37 VanDerWaalsContact O-N 3.09Å; F37-E41 VanDerWaalsContact O-CB 3.29Å; F37-E41 WeakPolarHBondContact O-CB 3.43Å; F37-E41 PolarHBondContact O-N 3.49Å; F37-I64 HydrophobicContact CB-CG2 4.22Å; F37-I64 WeakPolarHBondContact O-CG2 3.42Å; F37-Q67 HydrophobicContact CD1-CB 4.05Å; F37-Q67 HydrophobicContact CD1-CG 4.48Å; F37-Q67 HydrophobicContact CD2-CB 4.23Å; F37-Q67 HydrophobicContact CE1-CB 3.7Å; F37-Q67 HydrophobicContact CE1-CG 3.79Å; F37-Q67 HydrophobicContact CE2-CB 3.88Å; F37-Q67 HydrophobicContact CG-CB 4.31Å; F37-Q67 HydrophobicContact CZ-CB 3.6Å; F37-Q67 HydrophobicContact CZ-CG 3.85Å; F37-C68 WeakPolarHBondContact CB-SG 3.44Å |
| 38 | E | 89.7 | Confident | 90.6 | Very high | 139 Ų | 139 | 63.2 Ų | 63.2 | 65% | 0.65 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -78 | -43.5 | -178.5 | -166.7 | -179.9 | 169.9 | 0 | 0 | 111.3 | D36 R42 | D36-E38 PolarHBondContact O-N 2.94Å; E38-R42 PolarHBondContact O-N 3.4Å; E38-R42 VanDerWaalsContact O-N 3.13Å |
| 39 | A | 88.7 | Confident | 90.5 | Very high | 9 Ų | 9 | 73 Ų | 73 | 7% | 0.074 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.7 | -45.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | E31 D36 E41 R42 H43 | E31-A39 HydrophobicContact CG-CB 4.29Å; D36-A39 HydrophobicContact CB-CB 4.44Å; D36-A39 WeakPolarHBondContact OD1-CB 3.35Å; D36-A39 PolarHBondContact OD1-N 3.26Å; D36-A39 VanDerWaalsContact OD1-N 3.14Å; D36-A39 WeakPolarHBondContact OD2-CB 3.42Å; A39-E41 PolarHBondContact O-N 3Å; A39-R42 WeakPolarHBondContact O-CB 3.34Å; A39-R42 PolarHBondContact O-N 3.22Å; A39-R42 VanDerWaalsContact O-N 3.09Å; A39-H43 PolarHBondContact O-N 3.14Å; A39-H43 PolarHBondContact O-ND1 3.24Å |
| 40 | A | 91.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E31 D36 R42 H43 C44 I64 | E31-A40 HydrophobicContact CB-CB 3.82Å; E31-A40 WeakPolarHBondContact OE2-CA 3.38Å; E31-A40 PolarHBondContact OE2-N 3.5Å; D36-A40 WeakPolarHBondContact O-CB 3.47Å; D36-A40 PolarHBondContact O-N 3.42Å; D36-A40 VanDerWaalsContact O-N 3.08Å; A40-R42 VanDerWaalsContact C-N 3.33Å; A40-R42 PolarHBondContact O-N 3Å; A40-H43 PolarHBondContact O-N 3.25Å; A40-C44 VanDerWaalsContact O-CB 3.23Å; A40-C44 WeakPolarHBondContact O-CB 3.34Å; A40-C44 PolarHBondContact O-N 2.74Å; A40-I64 HydrophobicContact CB-CD1 3.74Å; A40-I64 HydrophobicContact CB-CG1 4.23Å |
| 41 | E | 92.8 | Very high | 90.3 | Very high | 26 Ų | 26 | 69.1 Ų | 69.1 | 12% | 0.121 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -58.9 | -45.3 | 175.1 | -176.9 | -176.9 | -179.1 | 0 | 0 | 110.9 | F37 A39 H43 C44 M45 I64 H65 R70 R73 | F37-E41 VanDerWaalsContact O-CB 3.29Å; F37-E41 WeakPolarHBondContact O-CB 3.43Å; F37-E41 PolarHBondContact O-N 3.49Å; A39-E41 PolarHBondContact O-N 3Å; E41-H43 PolarHBondContact O-N 3.12Å; E41-C44 PolarHBondContact O-N 3.33Å; E41-M45 HydrophobicContact CG-CG 4.09Å; E41-M45 VanDerWaalsContact O-CB 3.29Å; E41-M45 WeakPolarHBondContact O-CB 3.27Å; E41-M45 WeakPolarHBondContact O-CG 3.23Å; E41-M45 PolarHBondContact O-N 3.42Å; E41-I64 HydrophobicContact CB-CG2 3.94Å; E41-H65 IonicContact OE1-CE1 3.42Å; E41-H65 PolarHBondContact OE1-CE1 3.49Å; E41-H65 IonicContact OE1-NE2 3.87Å; E41-R70 IonicContact OE1-CZ 3.54Å; E41-R70 IonicContact OE1-NH1 2.85Å; E41-R70 PolarHBondContact OE1-NH1 3.14Å; E41-R70 IonicContact OE1-NH2 3.35Å; E41-R70 IonicContact OE2-CZ 2.95Å; E41-R70 IonicContact OE2-NH1 3.45Å; E41-R70 PolarHBondContact OE2-NH1 3.38Å; E41-R70 IonicContact OE2-NH2 3.06Å; E41-R70 PolarHBondContact OE2-NH2 3.3Å; E41-R73 IonicContact OE1-NH1 3.61Å; E41-R73 PolarHBondContact OE1-NH1 3.1Å |
| 42 | R | 92.2 | Very high | 90.1 | Very high | 147 Ų | 147 | 70.9 Ų | 70.9 | 56% | 0.555 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -62.2 | -46.2 | -176.4 | -153.4 | -172.9 | -55.5 | 126.9 | 1.6 | 111.3 | E38 A39 A40 Q46 | E38-R42 PolarHBondContact O-N 3.4Å; E38-R42 VanDerWaalsContact O-N 3.13Å; A39-R42 WeakPolarHBondContact O-CB 3.34Å; A39-R42 PolarHBondContact O-N 3.22Å; A39-R42 VanDerWaalsContact O-N 3.09Å; A40-R42 VanDerWaalsContact C-N 3.33Å; A40-R42 PolarHBondContact O-N 3Å; R42-Q46 PolarHBondContact O-N 3.35Å; R42-Q46 VanDerWaalsContact O-N 3.12Å |
| 43 | H | 91.3 | Very high | 89.9 | Confident | 38 Ų | 38 | 73.1 Ų | 73.1 | 18% | 0.176 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -71.1 | -39.5 | 178 | -64.7 | 140.3 | 0 | 0 | 0 | 112.3 | L24 A28 E31 A39 A40 E41 M45 Q46 L47 | L24-H43 HydrophobicContact CD1-CB 3.97Å; L24-H43 HydrophobicContact CG-CB 4.39Å; A28-H43 HydrophobicContact CB-CB 4.04Å; E31-H43 VanDerWaalsContact CD-ND1 3.28Å; E31-H43 IonicContact OE1-CE1 2.71Å; E31-H43 PolarHBondContact OE1-CE1 3.3Å; E31-H43 IonicContact OE1-ND1 2.82Å; E31-H43 PolarHBondContact OE1-ND1 2.79Å; E31-H43 IonicContact OE2-CE1 3.08Å; E31-H43 IonicContact OE2-CG 2.79Å; E31-H43 IonicContact OE2-ND1 3.03Å; E31-H43 PolarHBondContact OE2-ND1 2.79Å; A39-H43 PolarHBondContact O-N 3.14Å; A39-H43 PolarHBondContact O-ND1 3.24Å; A40-H43 PolarHBondContact O-N 3.25Å; E41-H43 PolarHBondContact O-N 3.12Å; H43-M45 PolarHBondContact O-N 3.27Å; H43-Q46 WeakPolarHBondContact O-CB 3.38Å; H43-Q46 PolarHBondContact O-N 2.91Å; H43-L47 WeakPolarHBondContact O-CG 3.29Å; H43-L47 PolarHBondContact O-N 3.46Å |
| 44 | C | 91.5 | Very high | 90 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -63.4 | -40 | 173.2 | -85.4 | 0 | 0 | 0 | 0 | 113.1 | A40 E41 Q46 L47 W48 V57 L60 L61 I64 | A40-C44 VanDerWaalsContact O-CB 3.23Å; A40-C44 WeakPolarHBondContact O-CB 3.34Å; A40-C44 PolarHBondContact O-N 2.74Å; E41-C44 PolarHBondContact O-N 3.33Å; C44-Q46 VanDerWaalsContact C-N 3.27Å; C44-Q46 PolarHBondContact O-N 3.45Å; C44-L47 WeakPolarHBondContact O-CB 3.2Å; C44-L47 PolarHBondContact O-N 3.27Å; C44-W48 WeakPolarHBondContact O-CB 3.29Å; C44-W48 PolarHBondContact O-N 2.74Å; C44-V57 HydrophobicContact CB-CG1 4.49Å; C44-V57 WeakPolarHBondContact O-CG1 3.34Å; C44-L60 WeakPolarHBondContact SG-CD2 3.48Å; C44-L60 VanDerWaalsContact SG-CG 3.57Å; C44-L61 HydrophobicContact CB-CD2 3.52Å; C44-L61 HydrophobicContact CB-CG 3.83Å; C44-I64 HydrophobicContact CB-CD1 4.28Å |
| 45 | M | 91.7 | Very high | 90 | Very high | 42 Ų | 42 | 65.8 Ų | 65.8 | 21% | 0.207 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.2 | -32.3 | 175.2 | -73.7 | -67.2 | -102.9 | 0 | 0 | 111.4 | E41 H43 W48 R49 L61 F77 | E41-M45 HydrophobicContact CG-CG 4.09Å; E41-M45 VanDerWaalsContact O-CB 3.29Å; E41-M45 WeakPolarHBondContact O-CB 3.27Å; E41-M45 WeakPolarHBondContact O-CG 3.23Å; E41-M45 PolarHBondContact O-N 3.42Å; H43-M45 PolarHBondContact O-N 3.27Å; M45-W48 HydrophobicContact CE-CE3 4.34Å; M45-W48 HydrophobicContact CE-CZ3 4.21Å; M45-W48 HydrophobicContact SD-CE3 3.66Å; M45-W48 HydrophobicContact SD-CZ3 4.09Å; M45-R49 VanDerWaalsContact O-CG 3.3Å; M45-R49 WeakPolarHBondContact O-CG 3.38Å; M45-R49 PolarHBondContact O-N 2.73Å; M45-R49 VanDerWaalsContact O-N 3.09Å; M45-L61 HydrophobicContact CG-CD2 3.94Å; M45-L61 HydrophobicContact SD-CD1 4.12Å; M45-L61 HydrophobicContact SD-CD2 3.9Å; M45-F77 HydrophobicContact CE-CZ 4.38Å; M45-F77 HydrophobicContact SD-CZ 4.01Å |
| 46 | Q | 90.8 | Very high | 90.2 | Very high | 93 Ų | 93 | 65.4 Ų | 65.4 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 172 | -177.2 | 176 | -8.8 | 0 | 0 | 111.7 | L24 R42 H43 C44 R49 Q50 | L24-Q46 HydrophobicContact CD2-CB 4.23Å; L24-Q46 HydrophobicContact CD2-CG 3.92Å; R42-Q46 PolarHBondContact O-N 3.35Å; R42-Q46 VanDerWaalsContact O-N 3.12Å; H43-Q46 WeakPolarHBondContact O-CB 3.38Å; H43-Q46 PolarHBondContact O-N 2.91Å; C44-Q46 VanDerWaalsContact C-N 3.27Å; C44-Q46 PolarHBondContact O-N 3.45Å; Q46-R49 PolarHBondContact O-N 2.81Å; Q46-Q50 WeakPolarHBondContact O-CG 3.47Å; Q46-Q50 PolarHBondContact O-N 3.4Å |
| 47 | L | 89.9 | Confident | 90.3 | Very high | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.2 | -43.9 | 174.1 | -71.1 | 163.9 | 0 | 0 | 0 | 111.7 | F21 L24 A25 A28 H43 C44 R49 Q50 E51 V57 | F21-L47 HydrophobicContact CD1-CD2 4.31Å; F21-L47 HydrophobicContact CD2-CD2 3.5Å; F21-L47 HydrophobicContact CE1-CD2 4.34Å; F21-L47 HydrophobicContact CE2-CB 4.13Å; F21-L47 HydrophobicContact CE2-CD2 3.54Å; F21-L47 HydrophobicContact CE2-CG 4.47Å; F21-L47 HydrophobicContact CG-CD2 3.91Å; F21-L47 HydrophobicContact CZ-CB 4.47Å; F21-L47 HydrophobicContact CZ-CD2 3.97Å; F21-L47 WeakPolarHBondContact O-CD2 3.38Å; L24-L47 HydrophobicContact CB-CD2 3.92Å; L24-L47 HydrophobicContact CB-CG 4.37Å; L24-L47 HydrophobicContact CD2-CD2 3.84Å; L24-L47 HydrophobicContact CD2-CG 3.82Å; L24-L47 HydrophobicContact CG-CD1 4.26Å; L24-L47 HydrophobicContact CG-CD2 4.01Å; L24-L47 HydrophobicContact CG-CG 3.96Å; A25-L47 VanDerWaalsContact CA-CD1 3.48Å; A25-L47 HydrophobicContact CB-CD1 3.92Å; A25-L47 HydrophobicContact CB-CD2 4.45Å; A28-L47 HydrophobicContact CB-CD1 4.4Å; H43-L47 WeakPolarHBondContact O-CG 3.29Å; H43-L47 PolarHBondContact O-N 3.46Å; C44-L47 WeakPolarHBondContact O-CB 3.2Å; C44-L47 PolarHBondContact O-N 3.27Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.34Å; L47-Q50 WeakPolarHBondContact O-CB 3.48Å; L47-Q50 PolarHBondContact O-N 3.26Å; L47-E51 PolarHBondContact O-N 3.33Å; L47-V57 HydrophobicContact CB-CG1 3.98Å; L47-V57 HydrophobicContact CB-CG2 3.88Å; L47-V57 HydrophobicContact CD1-CG2 4.42Å |
| 48 | W | 90.1 | Very high | 90.5 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 24% | 0.235 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.8 | -34.3 | -179.8 | -178 | 51.3 | 0 | 0 | 0 | 112.5 | C44 M45 Q50 E51 P52 V57 L61 F77 L80 | C44-W48 WeakPolarHBondContact O-CB 3.29Å; C44-W48 PolarHBondContact O-N 2.74Å; M45-W48 HydrophobicContact CE-CE3 4.34Å; M45-W48 HydrophobicContact CE-CZ3 4.21Å; M45-W48 HydrophobicContact SD-CE3 3.66Å; M45-W48 HydrophobicContact SD-CZ3 4.09Å; W48-Q50 VanDerWaalsContact C-N 3.25Å; W48-Q50 PolarHBondContact O-N 3.32Å; W48-E51 CarbonylContact O-C 3.11Å; W48-E51 VanDerWaalsContact O-C 3.27Å; W48-P52 PolarHBondContact NE1-O 2.85Å; W48-P52 VanDerWaalsContact NE1-O 3.11Å; W48-P52 WeakPolarHBondContact O-CA 3.25Å; W48-P52 WeakPolarHBondContact O-CD 3.05Å; W48-P52 WeakPolarHBondContact O-CG 3.29Å; W48-V57 HydrophobicContact CB-CG1 3.83Å; W48-L61 HydrophobicContact CB-CD1 3.87Å; W48-L61 HydrophobicContact CD2-CD1 4.29Å; W48-L61 HydrophobicContact CG-CD1 3.99Å; W48-F77 HydrophobicContact CD2-CE1 4.03Å; W48-F77 AromaticContact CE2-CE1 3.98Å; W48-F77 AromaticContact CE3-CE1 3.96Å; W48-F77 HydrophobicContact CE3-CE1 3.96Å; W48-F77 HydrophobicContact CE3-CZ 4.3Å; W48-F77 AromaticContact CH2-CE1 3.8Å; W48-F77 HydrophobicContact CH2-CE1 3.8Å; W48-F77 HydrophobicContact CH2-CZ 4.29Å; W48-F77 AromaticContact CZ2-CE1 3.89Å; W48-F77 HydrophobicContact CZ2-CE1 3.89Å; W48-F77 AromaticContact CZ3-CE1 3.84Å; W48-F77 HydrophobicContact CZ3-CE1 3.84Å; W48-F77 HydrophobicContact CZ3-CZ 4.04Å; W48-L80 HydrophobicContact CZ2-CD1 4.05Å |
| 49 | R | 89 | Confident | 90.7 | Very high | 204 Ų | 204 | 54 Ų | 54 | 77% | 0.77 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -66.7 | -27 | 172.7 | -74.1 | 173.4 | -172.7 | 178.4 | 3.4 | 113.1 | M45 Q46 L47 | M45-R49 VanDerWaalsContact O-CG 3.3Å; M45-R49 WeakPolarHBondContact O-CG 3.38Å; M45-R49 PolarHBondContact O-N 2.73Å; M45-R49 VanDerWaalsContact O-N 3.09Å; Q46-R49 PolarHBondContact O-N 2.81Å; L47-R49 VanDerWaalsContact C-N 3.31Å; L47-R49 PolarHBondContact O-N 3.34Å |
| 50 | Q | 86.9 | Confident | 90.9 | Very high | 91 Ų | 91 | 54 Ų | 54 | 43% | 0.425 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -83 | -43.5 | 178 | -67.6 | 176.9 | 7.5 | 0 | 0 | 111.2 | Q46 L47 W48 | Q46-Q50 WeakPolarHBondContact O-CG 3.47Å; Q46-Q50 PolarHBondContact O-N 3.4Å; L47-Q50 WeakPolarHBondContact O-CB 3.48Å; L47-Q50 PolarHBondContact O-N 3.26Å; W48-Q50 VanDerWaalsContact C-N 3.25Å; W48-Q50 PolarHBondContact O-N 3.32Å |
| 51 | E | 88.1 | Confident | 91 | Very high | 88 Ų | 88 | 54 Ų | 54 | 41% | 0.411 | 26% | 0.259 | S | S | . | . | trans | -131.3 | 87.2 | 176.9 | -65.6 | -175.6 | -178.7 | 0 | 0 | 110.3 | F21 L47 W48 D53 N54 | F21-E51 HydrophobicContact CD2-CG 4.3Å; F21-E51 HydrophobicContact CE2-CB 3.9Å; F21-E51 HydrophobicContact CE2-CG 3.78Å; F21-E51 HydrophobicContact CZ-CB 4.21Å; F21-E51 HydrophobicContact CZ-CG 4.28Å; F21-E51 VanDerWaalsContact CZ-OE2 3.32Å; F21-E51 WeakPolarHBondContact CZ-OE2 3.49Å; L47-E51 PolarHBondContact O-N 3.33Å; W48-E51 CarbonylContact O-C 3.11Å; W48-E51 VanDerWaalsContact O-C 3.27Å; E51-D53 PolarHBondContact O-N 3.16Å; E51-D53 VanDerWaalsContact O-N 3.15Å; E51-N54 HydrophobicContact CB-CB 3.89Å; E51-N54 WeakPolarHBondContact O-CB 2.93Å; E51-N54 PolarHBondContact O-N 2.83Å; E51-N54 PolarHBondContact OE2-ND2 3.39Å | ||
| 52 | P | 88.9 | Confident | 91.1 | Very high | 69 Ų | 69 | 52.8 Ų | 52.8 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25.5 | -177.6 | -25.6 | 35.1 | 0 | 0 | 0 | 114.1 | W48 | W48-P52 PolarHBondContact NE1-O 2.85Å; W48-P52 VanDerWaalsContact NE1-O 3.11Å; W48-P52 WeakPolarHBondContact O-CA 3.25Å; W48-P52 WeakPolarHBondContact O-CD 3.05Å; W48-P52 WeakPolarHBondContact O-CG 3.29Å |
| 53 | D | 88.1 | Confident | 91.2 | Very high | 107 Ų | 107 | 47 Ų | 47 | 57% | 0.572 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 4.4 | -175 | -64.2 | -20.4 | 0 | 0 | 0 | 112.8 | E51 T55 Q84 | E51-D53 PolarHBondContact O-N 3.16Å; E51-D53 VanDerWaalsContact O-N 3.15Å; D53-T55 PolarHBondContact O-N 2.94Å; D53-T55 VanDerWaalsContact O-N 3.13Å; D53-Q84 HydrophobicContact CB-CG 4.23Å; D53-Q84 WeakPolarHBondContact O-CG 3.36Å |
| 54 | N | 91.2 | Very high | 91.3 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 24% | 0.235 | 23% | 0.227 | C | C | . | . | trans | -75.1 | 104.8 | 179.5 | -167.4 | -55.5 | 0 | 0 | 0 | 110.8 | F21 E51 G56 V57 L58 | F21-N54 WeakPolarHBondContact CE1-ND2 3.45Å; F21-N54 HydrophobicContact CZ-CB 4.3Å; F21-N54 VanDerWaalsContact CZ-ND2 3.28Å; F21-N54 WeakPolarHBondContact CZ-ND2 3.17Å; E51-N54 HydrophobicContact CB-CB 3.89Å; E51-N54 WeakPolarHBondContact O-CB 2.93Å; E51-N54 PolarHBondContact O-N 2.83Å; E51-N54 PolarHBondContact OE2-ND2 3.39Å; N54-G56 VanDerWaalsContact C-N 3.28Å; N54-G56 PolarHBondContact O-N 3.16Å; N54-G56 PolarHBondContact OD1-N 3.4Å; N54-G56 VanDerWaalsContact OD1-N 3.14Å; N54-V57 HydrophobicContact CB-CB 4.23Å; N54-V57 HydrophobicContact CB-CG2 3.98Å; N54-V57 PolarHBondContact O-N 2.64Å; N54-V57 VanDerWaalsContact O-N 3.15Å; N54-V57 PolarHBondContact OD1-N 3.42Å; N54-L58 WeakPolarHBondContact O-CG 3.22Å; N54-L58 PolarHBondContact O-N 3.03Å; N54-L58 VanDerWaalsContact O-N 3.07Å | ||
| 55 | T | 90.5 | Very high | 91.4 | Very high | 41 Ų | 41 | 45.1 Ų | 45.1 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.3 | -33 | -176.6 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | D53 L58 L59 Q84 N85 L88 | D53-T55 PolarHBondContact O-N 2.94Å; D53-T55 VanDerWaalsContact O-N 3.13Å; T55-L58 PolarHBondContact O-N 2.78Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 3.39Å; T55-Q84 HydrophobicContact CG2-CB 4.07Å; T55-Q84 HydrophobicContact CG2-CG 3.91Å; T55-N85 HydrophobicContact CG2-CB 3.9Å; T55-L88 HydrophobicContact CG2-CD2 4.31Å |
| 56 | G | 89.9 | Confident | 91.5 | Very high | 33 Ų | 33 | 45.2 Ų | 45.2 | 34% | 0.34 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | N54 L60 | N54-G56 VanDerWaalsContact C-N 3.28Å; N54-G56 PolarHBondContact O-N 3.16Å; N54-G56 PolarHBondContact OD1-N 3.4Å; N54-G56 VanDerWaalsContact OD1-N 3.14Å; G56-L60 PolarHBondContact O-N 2.71Å; G56-L60 VanDerWaalsContact O-N 3.12Å |
| 57 | V | 92.3 | Very high | 91.6 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 4% | 0.036 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -41.9 | 175.4 | 179.9 | 0 | 0 | 0 | 0 | 111.1 | F21 C44 L47 W48 N54 L60 L61 | F21-V57 HydrophobicContact CZ-CG2 3.97Å; C44-V57 HydrophobicContact CB-CG1 4.49Å; C44-V57 WeakPolarHBondContact O-CG1 3.34Å; L47-V57 HydrophobicContact CB-CG1 3.98Å; L47-V57 HydrophobicContact CB-CG2 3.88Å; L47-V57 HydrophobicContact CD1-CG2 4.42Å; W48-V57 HydrophobicContact CB-CG1 3.83Å; N54-V57 HydrophobicContact CB-CB 4.23Å; N54-V57 HydrophobicContact CB-CG2 3.98Å; N54-V57 PolarHBondContact O-N 2.64Å; N54-V57 VanDerWaalsContact O-N 3.15Å; N54-V57 PolarHBondContact OD1-N 3.42Å; V57-L60 PolarHBondContact O-N 3.42Å; V57-L61 HydrophobicContact CG1-CD1 4.13Å; V57-L61 HydrophobicContact CG1-CG 4.49Å; V57-L61 WeakPolarHBondContact O-CB 3.48Å; V57-L61 WeakPolarHBondContact O-CG 3.48Å; V57-L61 PolarHBondContact O-N 3.41Å |
| 58 | L | 94.8 | Very high | 91.7 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.8 | -67.1 | 171.2 | 0 | 0 | 0 | 112.4 | N54 T55 L61 S62 F77 L80 A81 | N54-L58 WeakPolarHBondContact O-CG 3.22Å; N54-L58 PolarHBondContact O-N 3.03Å; N54-L58 VanDerWaalsContact O-N 3.07Å; T55-L58 PolarHBondContact O-N 2.78Å; L58-L61 PolarHBondContact O-N 3.22Å; L58-S62 WeakPolarHBondContact O-CB 3.44Å; L58-S62 PolarHBondContact O-N 2.71Å; L58-F77 HydrophobicContact CD2-CD1 3.86Å; L58-L80 HydrophobicContact CD1-CB 4.22Å; L58-L80 HydrophobicContact CD2-CB 4.07Å; L58-L80 HydrophobicContact CD2-CD1 4.32Å; L58-A81 HydrophobicContact CB-CB 3.82Å; L58-A81 HydrophobicContact CD1-CB 4.32Å |
| 59 | L | 93.3 | Very high | 91.7 | Very high | 29 Ų | 29 | 54.1 Ų | 54.1 | 15% | 0.152 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -45.8 | 174.5 | -76.9 | 178.4 | 0 | 0 | 0 | 111.7 | T55 S62 S63 A81 L88 E90 A91 | T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 3.39Å; L59-S62 WeakPolarHBondContact O-CB 3.32Å; L59-S62 PolarHBondContact O-N 3.13Å; L59-S63 PolarHBondContact O-N 3.44Å; L59-S63 PolarHBondContact O-OG 2.85Å; L59-A81 HydrophobicContact CD2-CB 4.48Å; L59-L88 HydrophobicContact CD1-CD1 4.08Å; L59-L88 HydrophobicContact CD1-CD2 3.75Å; L59-L88 HydrophobicContact CD1-CG 4.06Å; L59-L88 HydrophobicContact CD2-CD2 3.98Å; L59-L88 HydrophobicContact CD2-CG 4.46Å; L59-L88 HydrophobicContact CG-CD2 3.82Å; L59-E90 HydrophobicContact CD1-CB 3.9Å; L59-E90 HydrophobicContact CD2-CB 3.95Å; L59-A91 HydrophobicContact CD2-CB 3.71Å |
| 60 | L | 93.2 | Very high | 91.9 | Very high | 10 Ų | 10 | 48.2 Ų | 48.2 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 179.5 | -176.7 | 55.7 | 0 | 0 | 0 | 111.5 | A28 H29 Y32 C44 G56 V57 S62 S63 I64 | A28-L60 HydrophobicContact CB-CD2 4.19Å; H29-L60 WeakPolarHBondContact ND1-CD2 3.15Å; Y32-L60 HydrophobicContact CD1-CD1 3.97Å; Y32-L60 HydrophobicContact CD2-CD1 4.1Å; Y32-L60 HydrophobicContact CG-CD1 3.72Å; C44-L60 WeakPolarHBondContact SG-CD2 3.48Å; C44-L60 VanDerWaalsContact SG-CG 3.57Å; G56-L60 PolarHBondContact O-N 2.71Å; G56-L60 VanDerWaalsContact O-N 3.12Å; V57-L60 PolarHBondContact O-N 3.42Å; L60-S62 VanDerWaalsContact C-N 3.31Å; L60-S62 PolarHBondContact O-N 3.3Å; L60-S63 PolarHBondContact O-N 3.22Å; L60-I64 HydrophobicContact CD1-CD1 4.09Å; L60-I64 HydrophobicContact CD1-CG1 4.19Å; L60-I64 HydrophobicContact CG-CD1 3.79Å; L60-I64 HydrophobicContact CG-CG1 4.39Å; L60-I64 WeakPolarHBondContact O-CB 3.31Å; L60-I64 WeakPolarHBondContact O-CD1 3.23Å; L60-I64 VanDerWaalsContact O-CG1 3.24Å; L60-I64 WeakPolarHBondContact O-CG1 3.21Å; L60-I64 PolarHBondContact O-N 3.43Å |
| 61 | L | 94.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.6 | -43 | 172.1 | -78.6 | 170.6 | 0 | 0 | 0 | 111.8 | C44 M45 W48 V57 L58 S63 I64 H65 F77 | C44-L61 HydrophobicContact CB-CD2 3.52Å; C44-L61 HydrophobicContact CB-CG 3.83Å; M45-L61 HydrophobicContact CG-CD2 3.94Å; M45-L61 HydrophobicContact SD-CD1 4.12Å; M45-L61 HydrophobicContact SD-CD2 3.9Å; W48-L61 HydrophobicContact CB-CD1 3.87Å; W48-L61 HydrophobicContact CD2-CD1 4.29Å; W48-L61 HydrophobicContact CG-CD1 3.99Å; V57-L61 HydrophobicContact CG1-CD1 4.13Å; V57-L61 HydrophobicContact CG1-CG 4.49Å; V57-L61 WeakPolarHBondContact O-CB 3.48Å; V57-L61 WeakPolarHBondContact O-CG 3.48Å; V57-L61 PolarHBondContact O-N 3.41Å; L58-L61 PolarHBondContact O-N 3.22Å; L61-S63 PolarHBondContact O-N 2.92Å; L61-I64 PolarHBondContact O-N 2.93Å; L61-H65 WeakPolarHBondContact O-CB 3.46Å; L61-H65 PolarHBondContact O-CD2 3.37Å; L61-H65 PolarHBondContact O-N 2.83Å; L61-F77 HydrophobicContact CB-CB 4.24Å; L61-F77 HydrophobicContact CB-CD1 4.16Å; L61-F77 HydrophobicContact CB-CD2 4Å; L61-F77 HydrophobicContact CB-CE2 4.4Å; L61-F77 HydrophobicContact CB-CG 3.87Å; L61-F77 HydrophobicContact CD1-CD1 3.95Å; L61-F77 HydrophobicContact CD1-CE1 3.72Å; L61-F77 HydrophobicContact CD1-CG 4.48Å; L61-F77 HydrophobicContact CD1-CZ 4.07Å |
| 62 | S | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.8 | -47.5 | 175.5 | -179.6 | 0 | 0 | 0 | 0 | 111.9 | L58 L59 L60 H65 F66 S74 S78 | L58-S62 WeakPolarHBondContact O-CB 3.44Å; L58-S62 PolarHBondContact O-N 2.71Å; L59-S62 WeakPolarHBondContact O-CB 3.32Å; L59-S62 PolarHBondContact O-N 3.13Å; L60-S62 VanDerWaalsContact C-N 3.31Å; L60-S62 PolarHBondContact O-N 3.3Å; S62-H65 PolarHBondContact O-N 2.77Å; S62-F66 WeakPolarHBondContact O-CB 3.38Å; S62-F66 PolarHBondContact O-N 3.28Å; S62-S74 WeakPolarHBondContact O-CB 3.42Å; S62-S74 PolarHBondContact O-OG 2.83Å; S62-S74 PolarHBondContact OG-O 3.01Å; S62-S74 PolarHBondContact OG-OG 3.49Å; S62-S78 PolarHBondContact OG-OG 3.32Å |
| 63 | S | 93.8 | Very high | 92.7 | Very high | 25 Ų | 25 | 50 Ų | 50 | 18% | 0.175 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -66.2 | -43.4 | 179.5 | -61.1 | 0 | 0 | 0 | 0 | 112.2 | L59 L60 L61 H65 F66 Q67 N94 | L59-S63 PolarHBondContact O-N 3.44Å; L59-S63 PolarHBondContact O-OG 2.85Å; L60-S63 PolarHBondContact O-N 3.22Å; L61-S63 PolarHBondContact O-N 2.92Å; S63-H65 PolarHBondContact O-N 3.18Å; S63-F66 WeakPolarHBondContact O-CB 3.38Å; S63-F66 PolarHBondContact O-N 2.88Å; S63-Q67 WeakPolarHBondContact O-CG 3.42Å; S63-Q67 PolarHBondContact O-N 3.14Å; S63-N94 PolarHBondContact OG-ND2 2.95Å |
| 64 | I | 93.6 | Very high | 93 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.2 | -48.3 | 175.5 | -70.9 | 161.9 | 0 | 0 | 0 | 110.6 | Y32 F37 A40 E41 C44 L60 L61 F66 Q67 C68 | Y32-I64 HydrophobicContact CD2-CG1 3.57Å; Y32-I64 HydrophobicContact CE2-CG1 4.2Å; Y32-I64 HydrophobicContact CG-CG1 4.39Å; F37-I64 HydrophobicContact CB-CG2 4.22Å; F37-I64 WeakPolarHBondContact O-CG2 3.42Å; A40-I64 HydrophobicContact CB-CD1 3.74Å; A40-I64 HydrophobicContact CB-CG1 4.23Å; E41-I64 HydrophobicContact CB-CG2 3.94Å; C44-I64 HydrophobicContact CB-CD1 4.28Å; L60-I64 HydrophobicContact CD1-CD1 4.09Å; L60-I64 HydrophobicContact CD1-CG1 4.19Å; L60-I64 HydrophobicContact CG-CD1 3.79Å; L60-I64 HydrophobicContact CG-CG1 4.39Å; L60-I64 WeakPolarHBondContact O-CB 3.31Å; L60-I64 WeakPolarHBondContact O-CD1 3.23Å; L60-I64 VanDerWaalsContact O-CG1 3.24Å; L60-I64 WeakPolarHBondContact O-CG1 3.21Å; L60-I64 PolarHBondContact O-N 3.43Å; L61-I64 PolarHBondContact O-N 2.93Å; I64-F66 VanDerWaalsContact C-N 3.31Å; I64-F66 PolarHBondContact O-N 3.44Å; I64-Q67 PolarHBondContact O-N 3.27Å; I64-C68 PolarHBondContact O-N 3.3Å; I64-C68 PolarHBondContact O-SG 2.98Å |
| 65 | H | 94.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65.7 | -34.1 | 178.8 | -79.7 | -57.3 | 0 | 0 | 0 | 112.9 | E41 L61 S62 S63 C68 R69 R70 R73 F77 | E41-H65 IonicContact OE1-CE1 3.42Å; E41-H65 PolarHBondContact OE1-CE1 3.49Å; E41-H65 IonicContact OE1-NE2 3.87Å; L61-H65 WeakPolarHBondContact O-CB 3.46Å; L61-H65 PolarHBondContact O-CD2 3.37Å; L61-H65 PolarHBondContact O-N 2.83Å; S62-H65 PolarHBondContact O-N 2.77Å; S63-H65 PolarHBondContact O-N 3.18Å; H65-C68 PolarHBondContact O-N 3.35Å; H65-R69 PolarHBondContact O-N 2.94Å; H65-R70 HydrophobicContact CB-CB 4.37Å; H65-R70 PolarHBondContact CE1-NH1 2.85Å; H65-R70 VanDerWaalsContact ND1-CZ 3.27Å; H65-R70 PolarHBondContact ND1-NE 3.32Å; H65-R70 PolarHBondContact ND1-NH2 2.89Å; H65-R70 PolarHBondContact O-N 3.17Å; H65-R73 HydrophobicContact CB-CB 4.11Å; H65-R73 VanDerWaalsContact CE1-CD 3.42Å; H65-R73 WeakPolarHBondContact CE1-CD 3.47Å; H65-F77 AromaticContact CD2-CD2 3.5Å; H65-F77 VanDerWaalsContact CD2-CD2 3.5Å; H65-F77 WeakPolarHBondContact CD2-CD2 3.22Å; H65-F77 AromaticContact CD2-CE2 3.49Å; H65-F77 VanDerWaalsContact CD2-CE2 3.49Å; H65-F77 WeakPolarHBondContact CD2-CE2 3.45Å; H65-F77 AromaticContact NE2-CD2 3.96Å; H65-F77 AromaticContact NE2-CE2 3.43Å; H65-F77 WeakPolarHBondContact NE2-CE2 3.15Å |
| 66 | F | 93.8 | Very high | 93.4 | Very high | 44 Ų | 44 | 46.4 Ų | 46.4 | 19% | 0.193 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -49.9 | 173.2 | -173.6 | -96.8 | 0 | 0 | 0 | 111.3 | S62 S63 I64 C68 R69 L71 N97 V98 E101 | S62-F66 WeakPolarHBondContact O-CB 3.38Å; S62-F66 PolarHBondContact O-N 3.28Å; S63-F66 WeakPolarHBondContact O-CB 3.38Å; S63-F66 PolarHBondContact O-N 2.88Å; I64-F66 VanDerWaalsContact C-N 3.31Å; I64-F66 PolarHBondContact O-N 3.44Å; F66-C68 PolarHBondContact O-N 2.95Å; F66-R69 WeakPolarHBondContact O-CA 3.47Å; F66-R69 PolarHBondContact O-N 2.95Å; F66-L71 HydrophobicContact CD2-CD2 3.98Å; F66-L71 HydrophobicContact CE2-CD2 4.08Å; F66-N97 HydrophobicContact CD2-CB 4.35Å; F66-N97 HydrophobicContact CE1-CB 4.49Å; F66-N97 HydrophobicContact CE2-CB 3.72Å; F66-N97 HydrophobicContact CZ-CB 3.8Å; F66-V98 HydrophobicContact CD2-CG2 3.87Å; F66-V98 HydrophobicContact CE2-CG2 4.34Å; F66-E101 HydrophobicContact CE2-CB 4.5Å; F66-E101 HydrophobicContact CE2-CG 3.74Å; F66-E101 HydrophobicContact CZ-CG 3.62Å |
| 67 | Q | 92.5 | Very high | 93.7 | Very high | 96 Ų | 96 | 45.2 Ų | 45.2 | 45% | 0.449 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.3 | -34.2 | 177.7 | -66 | -59.1 | -23.9 | 0 | 0 | 112.4 | Y32 F37 S63 I64 R69 | Y32-Q67 HydrophobicContact CE2-CG 3.89Å; F37-Q67 HydrophobicContact CD1-CB 4.05Å; F37-Q67 HydrophobicContact CD1-CG 4.48Å; F37-Q67 HydrophobicContact CD2-CB 4.23Å; F37-Q67 HydrophobicContact CE1-CB 3.7Å; F37-Q67 HydrophobicContact CE1-CG 3.79Å; F37-Q67 HydrophobicContact CE2-CB 3.88Å; F37-Q67 HydrophobicContact CG-CB 4.31Å; F37-Q67 HydrophobicContact CZ-CB 3.6Å; F37-Q67 HydrophobicContact CZ-CG 3.85Å; S63-Q67 WeakPolarHBondContact O-CG 3.42Å; S63-Q67 PolarHBondContact O-N 3.14Å; I64-Q67 PolarHBondContact O-N 3.27Å; Q67-R69 PolarHBondContact O-N 3.14Å |
| 68 | C | 91.1 | Very high | 93.7 | Very high | 44 Ų | 44 | 45 Ų | 45 | 30% | 0.297 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | 7.8 | 174.5 | -62.6 | 0 | 0 | 0 | 0 | 114.5 | F37 I64 H65 F66 R70 | F37-C68 WeakPolarHBondContact CB-SG 3.44Å; I64-C68 PolarHBondContact O-N 3.3Å; I64-C68 PolarHBondContact O-SG 2.98Å; H65-C68 PolarHBondContact O-N 3.35Å; F66-C68 PolarHBondContact O-N 2.95Å; C68-R70 HydrophobicContact CB-CG 4.38Å; C68-R70 VanDerWaalsContact CB-NE 3.35Å; C68-R70 PolarHBondContact O-N 2.95Å; C68-R70 VanDerWaalsContact O-N 3.12Å; C68-R70 PolarHBondContact SG-NH2 3.41Å |
| 69 | R | 90.2 | Very high | 93.7 | Very high | 203 Ų | 203 | 48.4 Ų | 48.4 | 77% | 0.766 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54 | 25 | -172.9 | -61.6 | -160.4 | 176.4 | -117.2 | 1.1 | 115.2 | H65 F66 Q67 L71 E101 | H65-R69 PolarHBondContact O-N 2.94Å; F66-R69 WeakPolarHBondContact O-CA 3.47Å; F66-R69 PolarHBondContact O-N 2.95Å; Q67-R69 PolarHBondContact O-N 3.14Å; R69-L71 PolarHBondContact O-N 3.48Å; R69-E101 IonicContact NH1-OE2 3.24Å |
| 70 | R | 93.8 | Very high | 93.8 | Very high | 80 Ų | 80 | 49.4 Ų | 49.4 | 30% | 0.302 | 23% | 0.234 | S | C | . | . | trans | -92.7 | 67.3 | 175.1 | -70 | 177.4 | -72.9 | 171.1 | -0.9 | 110.1 | E41 H65 C68 D72 R73 S74 | E41-R70 IonicContact OE1-CZ 3.54Å; E41-R70 IonicContact OE1-NH1 2.85Å; E41-R70 PolarHBondContact OE1-NH1 3.14Å; E41-R70 IonicContact OE1-NH2 3.35Å; E41-R70 IonicContact OE2-CZ 2.95Å; E41-R70 IonicContact OE2-NH1 3.45Å; E41-R70 PolarHBondContact OE2-NH1 3.38Å; E41-R70 IonicContact OE2-NH2 3.06Å; E41-R70 PolarHBondContact OE2-NH2 3.3Å; H65-R70 HydrophobicContact CB-CB 4.37Å; H65-R70 PolarHBondContact CE1-NH1 2.85Å; H65-R70 VanDerWaalsContact ND1-CZ 3.27Å; H65-R70 PolarHBondContact ND1-NE 3.32Å; H65-R70 PolarHBondContact ND1-NH2 2.89Å; H65-R70 PolarHBondContact O-N 3.17Å; C68-R70 HydrophobicContact CB-CG 4.38Å; C68-R70 VanDerWaalsContact CB-NE 3.35Å; C68-R70 PolarHBondContact O-N 2.95Å; C68-R70 VanDerWaalsContact O-N 3.12Å; C68-R70 PolarHBondContact SG-NH2 3.41Å; R70-D72 PolarHBondContact O-N 3.23Å; R70-R73 PolarHBondContact O-N 3.09Å; R70-S74 PolarHBondContact O-N 3.3Å; R70-S74 VanDerWaalsContact O-N 3.09Å | ||
| 71 | L | 93.3 | Very high | 93.8 | Very high | 39 Ų | 39 | 49 Ų | 49 | 20% | 0.204 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -57.8 | -39.3 | -168.4 | -62.2 | -176.4 | 0 | 0 | 0 | 113.9 | F66 R69 R73 S74 A75 V98 E101 R102 | F66-L71 HydrophobicContact CD2-CD2 3.98Å; F66-L71 HydrophobicContact CE2-CD2 4.08Å; R69-L71 PolarHBondContact O-N 3.48Å; L71-R73 PolarHBondContact O-N 3.01Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 3.49Å; L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.31Å; L71-V98 HydrophobicContact CB-CG1 4.01Å; L71-V98 HydrophobicContact CD2-CG1 4.46Å; L71-E101 HydrophobicContact CD1-CB 4.09Å; L71-E101 HydrophobicContact CD2-CB 4.32Å; L71-R102 HydrophobicContact CD1-CG 3.98Å |
| 72 | D | 93.3 | Very high | 93.7 | Very high | 122 Ų | 122 | 50.2 Ų | 50.2 | 65% | 0.652 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -63.7 | -41.5 | 179.1 | -66.2 | -51.8 | 0 | 0 | 0 | 112.8 | R70 H76 R102 | R70-D72 PolarHBondContact O-N 3.23Å; D72-H76 WeakPolarHBondContact O-CB 3.46Å; D72-H76 PolarHBondContact O-N 2.81Å; D72-R102 IonicContact OD1-CZ 2.71Å; D72-R102 IonicContact OD1-NH1 3.73Å; D72-R102 IonicContact OD1-NH2 2.84Å; D72-R102 PolarHBondContact OD1-NH2 3.34Å |
| 73 | R | 94.1 | Very high | 93.7 | Very high | 124 Ų | 124 | 58.4 Ų | 58.4 | 47% | 0.468 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 176.2 | -72.6 | -165.6 | 179.2 | -175.8 | 2.5 | 111.2 | E41 H65 R70 L71 H76 F77 | E41-R73 IonicContact OE1-NH1 3.61Å; E41-R73 PolarHBondContact OE1-NH1 3.1Å; H65-R73 HydrophobicContact CB-CB 4.11Å; H65-R73 VanDerWaalsContact CE1-CD 3.42Å; H65-R73 WeakPolarHBondContact CE1-CD 3.47Å; R70-R73 PolarHBondContact O-N 3.09Å; L71-R73 PolarHBondContact O-N 3.01Å; R73-H76 WeakPolarHBondContact O-CB 3.36Å; R73-H76 PolarHBondContact O-N 2.99Å; R73-F77 HydrophobicContact CB-CE2 4.48Å; R73-F77 WeakPolarHBondContact O-CD2 3.44Å; R73-F77 PolarHBondContact O-N 3Å |
| 74 | S | 94.9 | Very high | 93.6 | Very high | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.2 | -49.4 | 175.1 | -174 | 0 | 0 | 0 | 0 | 111.4 | S62 R70 L71 H76 F77 S78 V98 | S62-S74 WeakPolarHBondContact O-CB 3.42Å; S62-S74 PolarHBondContact O-OG 2.83Å; S62-S74 PolarHBondContact OG-O 3.01Å; S62-S74 PolarHBondContact OG-OG 3.49Å; R70-S74 PolarHBondContact O-N 3.3Å; R70-S74 VanDerWaalsContact O-N 3.09Å; L71-S74 WeakPolarHBondContact O-CB 3.48Å; L71-S74 PolarHBondContact O-N 3.49Å; S74-H76 VanDerWaalsContact C-N 3.31Å; S74-H76 PolarHBondContact O-N 2.95Å; S74-F77 PolarHBondContact O-N 3.14Å; S74-S78 WeakPolarHBondContact O-CB 3.49Å; S74-S78 PolarHBondContact O-N 3.21Å; S74-S78 PolarHBondContact O-OG 2.97Å; S74-V98 WeakPolarHBondContact OG-CG2 3.43Å |
| 75 | A | 94.4 | Very high | 93.4 | Very high | 15 Ų | 15 | 64.5 Ų | 64.5 | 12% | 0.124 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | L71 S78 T79 L95 V98 | L71-A75 WeakPolarHBondContact O-CB 3.46Å; L71-A75 PolarHBondContact O-N 3.31Å; A75-S78 PolarHBondContact O-N 3.32Å; A75-T79 WeakPolarHBondContact O-CB 3.38Å; A75-T79 PolarHBondContact O-N 2.81Å; A75-T79 PolarHBondContact O-OG1 3.39Å; A75-L95 HydrophobicContact CB-CD1 3.84Å; A75-V98 HydrophobicContact CB-CG1 4.14Å |
| 76 | H | 94.9 | Very high | 93.3 | Very high | 101 Ų | 101 | 68.1 Ų | 68.1 | 47% | 0.468 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.1 | -51.2 | 178.4 | -179.5 | 69.9 | 0 | 0 | 0 | 112.1 | D72 R73 S74 T79 L80 | D72-H76 WeakPolarHBondContact O-CB 3.46Å; D72-H76 PolarHBondContact O-N 2.81Å; R73-H76 WeakPolarHBondContact O-CB 3.36Å; R73-H76 PolarHBondContact O-N 2.99Å; S74-H76 VanDerWaalsContact C-N 3.31Å; S74-H76 PolarHBondContact O-N 2.95Å; H76-T79 PolarHBondContact O-N 3.28Å; H76-L80 WeakPolarHBondContact NE2-CD1 3.44Å; H76-L80 WeakPolarHBondContact O-CG 3.47Å; H76-L80 PolarHBondContact O-N 2.82Å |
| 77 | F | 95 | Very high | 93.3 | Very high | 8 Ų | 8 | 72.1 Ų | 72.1 | 4% | 0.035 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.4 | -34.9 | 180 | -71.9 | -66.3 | 0 | 0 | 0 | 112.8 | M45 W48 L58 L61 H65 R73 S74 T79 L80 A81 | M45-F77 HydrophobicContact CE-CZ 4.38Å; M45-F77 HydrophobicContact SD-CZ 4.01Å; W48-F77 HydrophobicContact CD2-CE1 4.03Å; W48-F77 AromaticContact CE2-CE1 3.98Å; W48-F77 AromaticContact CE3-CE1 3.96Å; W48-F77 HydrophobicContact CE3-CE1 3.96Å; W48-F77 HydrophobicContact CE3-CZ 4.3Å; W48-F77 AromaticContact CH2-CE1 3.8Å; W48-F77 HydrophobicContact CH2-CE1 3.8Å; W48-F77 HydrophobicContact CH2-CZ 4.29Å; W48-F77 AromaticContact CZ2-CE1 3.89Å; W48-F77 HydrophobicContact CZ2-CE1 3.89Å; W48-F77 AromaticContact CZ3-CE1 3.84Å; W48-F77 HydrophobicContact CZ3-CE1 3.84Å; W48-F77 HydrophobicContact CZ3-CZ 4.04Å; L58-F77 HydrophobicContact CD2-CD1 3.86Å; L61-F77 HydrophobicContact CB-CB 4.24Å; L61-F77 HydrophobicContact CB-CD1 4.16Å; L61-F77 HydrophobicContact CB-CD2 4Å; L61-F77 HydrophobicContact CB-CE2 4.4Å; L61-F77 HydrophobicContact CB-CG 3.87Å; L61-F77 HydrophobicContact CD1-CD1 3.95Å; L61-F77 HydrophobicContact CD1-CE1 3.72Å; L61-F77 HydrophobicContact CD1-CG 4.48Å; L61-F77 HydrophobicContact CD1-CZ 4.07Å; H65-F77 AromaticContact CD2-CD2 3.5Å; H65-F77 VanDerWaalsContact CD2-CD2 3.5Å; H65-F77 WeakPolarHBondContact CD2-CD2 3.22Å; H65-F77 AromaticContact CD2-CE2 3.49Å; H65-F77 VanDerWaalsContact CD2-CE2 3.49Å; H65-F77 WeakPolarHBondContact CD2-CE2 3.45Å; H65-F77 AromaticContact NE2-CD2 3.96Å; H65-F77 AromaticContact NE2-CE2 3.43Å; H65-F77 WeakPolarHBondContact NE2-CE2 3.15Å; R73-F77 HydrophobicContact CB-CE2 4.48Å; R73-F77 WeakPolarHBondContact O-CD2 3.44Å; R73-F77 PolarHBondContact O-N 3Å; S74-F77 PolarHBondContact O-N 3.14Å; F77-T79 VanDerWaalsContact C-N 3.33Å; F77-T79 PolarHBondContact O-N 3.34Å; F77-L80 HydrophobicContact CD1-CD1 4.12Å; F77-L80 HydrophobicContact CE1-CD1 4.45Å; F77-L80 PolarHBondContact O-N 3.45Å; F77-A81 WeakPolarHBondContact O-CB 3.39Å; F77-A81 PolarHBondContact O-N 3.43Å |
| 78 | S | 94.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -59.9 | -43.2 | 169.3 | -79.2 | 0 | 0 | 0 | 0 | 112 | S62 S74 A75 A81 I82 N94 | S62-S78 PolarHBondContact OG-OG 3.32Å; S74-S78 WeakPolarHBondContact O-CB 3.49Å; S74-S78 PolarHBondContact O-N 3.21Å; S74-S78 PolarHBondContact O-OG 2.97Å; A75-S78 PolarHBondContact O-N 3.32Å; S78-A81 WeakPolarHBondContact O-CB 3.47Å; S78-A81 PolarHBondContact O-N 3.33Å; S78-I82 WeakPolarHBondContact O-CG1 3.21Å; S78-I82 PolarHBondContact O-N 2.93Å; S78-N94 WeakPolarHBondContact OG-CB 3.41Å |
| 79 | T | 94.7 | Very high | 93.3 | Very high | 75 Ų | 75 | 66.6 Ų | 66.6 | 46% | 0.46 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 178.7 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | A75 H76 F77 I82 K83 | A75-T79 WeakPolarHBondContact O-CB 3.38Å; A75-T79 PolarHBondContact O-N 2.81Å; A75-T79 PolarHBondContact O-OG1 3.39Å; H76-T79 PolarHBondContact O-N 3.28Å; F77-T79 VanDerWaalsContact C-N 3.33Å; F77-T79 PolarHBondContact O-N 3.34Å; T79-I82 PolarHBondContact O-N 3.33Å; T79-K83 WeakPolarHBondContact O-CB 3.43Å; T79-K83 PolarHBondContact O-N 2.9Å |
| 80 | L | 94.4 | Very high | 93.5 | Very high | 51 Ų | 51 | 59.8 Ų | 59.8 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 172.5 | -72.8 | 176.4 | 0 | 0 | 0 | 111.4 | W48 L58 H76 F77 I82 K83 Q84 | W48-L80 HydrophobicContact CZ2-CD1 4.05Å; L58-L80 HydrophobicContact CD1-CB 4.22Å; L58-L80 HydrophobicContact CD2-CB 4.07Å; L58-L80 HydrophobicContact CD2-CD1 4.32Å; H76-L80 WeakPolarHBondContact NE2-CD1 3.44Å; H76-L80 WeakPolarHBondContact O-CG 3.47Å; H76-L80 PolarHBondContact O-N 2.82Å; F77-L80 HydrophobicContact CD1-CD1 4.12Å; F77-L80 HydrophobicContact CE1-CD1 4.45Å; F77-L80 PolarHBondContact O-N 3.45Å; L80-I82 PolarHBondContact O-N 3.45Å; L80-K83 PolarHBondContact O-N 3.43Å; L80-Q84 PolarHBondContact O-N 3.27Å |
| 81 | A | 93.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L58 L59 F77 S78 Q84 N85 L88 A91 | L58-A81 HydrophobicContact CB-CB 3.82Å; L58-A81 HydrophobicContact CD1-CB 4.32Å; L59-A81 HydrophobicContact CD2-CB 4.48Å; F77-A81 WeakPolarHBondContact O-CB 3.39Å; F77-A81 PolarHBondContact O-N 3.43Å; S78-A81 WeakPolarHBondContact O-CB 3.47Å; S78-A81 PolarHBondContact O-N 3.33Å; A81-Q84 PolarHBondContact O-N 2.86Å; A81-N85 PolarHBondContact O-N 3.34Å; A81-L88 HydrophobicContact CB-CD2 4.09Å; A81-A91 HydrophobicContact CB-CB 3.91Å |
| 82 | I | 93.6 | Very high | 93.6 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 175.2 | -68.5 | 164.4 | 0 | 0 | 0 | 111 | S78 T79 L80 Q84 N85 P86 A91 Y92 L95 | S78-I82 WeakPolarHBondContact O-CG1 3.21Å; S78-I82 PolarHBondContact O-N 2.93Å; T79-I82 PolarHBondContact O-N 3.33Å; L80-I82 PolarHBondContact O-N 3.45Å; I82-Q84 PolarHBondContact O-N 3.04Å; I82-N85 CarbonylContact O-C 3.51Å; I82-N85 PolarHBondContact O-N 3.48Å; I82-P86 WeakPolarHBondContact O-CA 3.38Å; I82-P86 WeakPolarHBondContact O-CD 3.28Å; I82-P86 VanDerWaalsContact O-N 3.08Å; I82-A91 HydrophobicContact CD1-CB 4.35Å; I82-A91 HydrophobicContact CG1-CB 3.64Å; I82-Y92 HydrophobicContact CD1-CD1 3.81Å; I82-Y92 HydrophobicContact CD1-CD2 4.45Å; I82-Y92 HydrophobicContact CD1-CE1 3.86Å; I82-Y92 HydrophobicContact CD1-CE2 4.48Å; I82-Y92 HydrophobicContact CD1-CG 4.13Å; I82-Y92 HydrophobicContact CG1-CD1 4.42Å; I82-Y92 HydrophobicContact CG1-CD2 4.26Å; I82-Y92 HydrophobicContact CG1-CE1 4.27Å; I82-Y92 HydrophobicContact CG1-CE2 4.08Å; I82-Y92 HydrophobicContact CG1-CG 4.43Å; I82-Y92 HydrophobicContact CG2-CE1 4.12Å; I82-Y92 HydrophobicContact CG2-CE2 4.22Å; I82-Y92 WeakPolarHBondContact CG2-OH 3.17Å; I82-L95 HydrophobicContact CD1-CD2 3.96Å |
| 83 | K | 93.2 | Very high | 93.7 | Very high | 173 Ų | 173 | 49.6 Ų | 49.6 | 75% | 0.752 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -61.4 | -37.7 | 179 | -171.7 | -179.9 | 179.2 | -175.1 | 0 | 111.5 | T79 L80 | T79-K83 WeakPolarHBondContact O-CB 3.43Å; T79-K83 PolarHBondContact O-N 2.9Å; L80-K83 PolarHBondContact O-N 3.43Å |
| 84 | Q | 91.7 | Very high | 93.7 | Very high | 95 Ų | 95 | 45 Ų | 45 | 44% | 0.444 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -77.9 | -38.3 | 179.6 | -170.4 | 59.4 | 18 | 0 | 0 | 112.9 | D53 T55 L80 A81 I82 | D53-Q84 HydrophobicContact CB-CG 4.23Å; D53-Q84 WeakPolarHBondContact O-CG 3.36Å; T55-Q84 HydrophobicContact CG2-CB 4.07Å; T55-Q84 HydrophobicContact CG2-CG 3.91Å; L80-Q84 PolarHBondContact O-N 3.27Å; A81-Q84 PolarHBondContact O-N 2.86Å; I82-Q84 PolarHBondContact O-N 3.04Å |
| 85 | N | 91.2 | Very high | 93.6 | Very high | 58 Ų | 58 | 45.4 Ų | 45.4 | 31% | 0.31 | 23% | 0.232 | S | C | . | . | trans | -139.1 | 98.5 | 173.7 | -177.2 | 1.8 | 0 | 0 | 0 | 110.9 | T55 A81 I82 L87 L88 | T55-N85 HydrophobicContact CG2-CB 3.9Å; A81-N85 PolarHBondContact O-N 3.34Å; I82-N85 CarbonylContact O-C 3.51Å; I82-N85 PolarHBondContact O-N 3.48Å; N85-L87 PolarHBondContact O-N 2.94Å; N85-L87 VanDerWaalsContact O-N 3.08Å; N85-L87 WeakPolarHBondContact OD1-CB 3.49Å; N85-L87 PolarHBondContact OD1-N 3.14Å; N85-L88 HydrophobicContact CB-CB 4.28Å; N85-L88 VanDerWaalsContact O-CB 3.3Å; N85-L88 WeakPolarHBondContact O-CB 3.38Å; N85-L88 PolarHBondContact O-N 3.45Å | ||
| 86 | P | 92.5 | Very high | 93.7 | Very high | 76 Ų | 76 | 44.7 Ų | 44.7 | 49% | 0.494 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65 | -11.1 | 179.6 | -24.9 | 35 | 0 | 0 | 0 | 115.1 | I82 Y92 | I82-P86 WeakPolarHBondContact O-CA 3.38Å; I82-P86 WeakPolarHBondContact O-CD 3.28Å; I82-P86 VanDerWaalsContact O-N 3.08Å; P86-Y92 WeakPolarHBondContact O-CE2 3.32Å; P86-Y92 PolarHBondContact O-OH 3.39Å |
| 87 | L | 92.3 | Very high | 93.6 | Very high | 128 Ų | 128 | 41 Ų | 41 | 67% | 0.67 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | 4.2 | 178.7 | -60.7 | 175.7 | 0 | 0 | 0 | 113.3 | N85 A89 L118 | N85-L87 PolarHBondContact O-N 2.94Å; N85-L87 VanDerWaalsContact O-N 3.08Å; N85-L87 WeakPolarHBondContact OD1-CB 3.49Å; N85-L87 PolarHBondContact OD1-N 3.14Å; L87-A89 PolarHBondContact O-N 2.95Å; L87-L118 HydrophobicContact CD2-CD2 3.76Å |
| 88 | L | 91.9 | Very high | 93.6 | Very high | 21 Ų | 21 | 40.6 Ų | 40.6 | 11% | 0.11 | 21% | 0.208 | C | C | . | . | trans | -82.6 | 92.6 | -175.4 | -165.5 | 65.4 | 0 | 0 | 0 | 111.9 | T55 L59 A81 N85 E90 A91 Y92 | T55-L88 HydrophobicContact CG2-CD2 4.31Å; L59-L88 HydrophobicContact CD1-CD1 4.08Å; L59-L88 HydrophobicContact CD1-CD2 3.75Å; L59-L88 HydrophobicContact CD1-CG 4.06Å; L59-L88 HydrophobicContact CD2-CD2 3.98Å; L59-L88 HydrophobicContact CD2-CG 4.46Å; L59-L88 HydrophobicContact CG-CD2 3.82Å; A81-L88 HydrophobicContact CB-CD2 4.09Å; N85-L88 HydrophobicContact CB-CB 4.28Å; N85-L88 VanDerWaalsContact O-CB 3.3Å; N85-L88 WeakPolarHBondContact O-CB 3.38Å; N85-L88 PolarHBondContact O-N 3.45Å; L88-E90 VanDerWaalsContact C-N 3.28Å; L88-E90 PolarHBondContact O-N 3.42Å; L88-A91 HydrophobicContact CB-CB 4.37Å; L88-A91 HydrophobicContact CD2-CB 4.07Å; L88-A91 HydrophobicContact CG-CB 4.23Å; L88-A91 PolarHBondContact O-N 3.43Å; L88-A91 VanDerWaalsContact O-N 3.15Å; L88-Y92 WeakPolarHBondContact O-CD2 3.41Å | ||
| 89 | A | 92.9 | Very high | 93.6 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -57.3 | -37.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | L87 A91 Y92 S93 A115 L118 K119 F122 | L87-A89 PolarHBondContact O-N 2.95Å; A89-A91 VanDerWaalsContact C-N 3.25Å; A89-A91 PolarHBondContact O-N 3.25Å; A89-Y92 PolarHBondContact O-N 3.24Å; A89-S93 PolarHBondContact O-N 2.95Å; A89-A115 HydrophobicContact CB-CB 4.37Å; A89-A115 WeakPolarHBondContact CB-O 3.49Å; A89-A115 WeakPolarHBondContact O-CB 3.33Å; A89-L118 HydrophobicContact CB-CB 4.1Å; A89-K119 HydrophobicContact CB-CB 3.48Å; A89-K119 VanDerWaalsContact CB-CB 3.48Å; A89-K119 HydrophobicContact CB-CD 4.18Å; A89-K119 HydrophobicContact CB-CG 4.49Å; A89-F122 HydrophobicContact CB-CD1 4.21Å; A89-F122 HydrophobicContact CB-CE1 4.49Å |
| 90 | E | 93.2 | Very high | 93.6 | Very high | 60 Ų | 60 | 42.2 Ų | 42.2 | 28% | 0.28 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -60.3 | -34.2 | 179.4 | -65.2 | 79.6 | -175.9 | 0 | 0 | 112 | L59 L88 S93 N94 K119 F122 | L59-E90 HydrophobicContact CD1-CB 3.9Å; L59-E90 HydrophobicContact CD2-CB 3.95Å; L88-E90 VanDerWaalsContact C-N 3.28Å; L88-E90 PolarHBondContact O-N 3.42Å; E90-S93 PolarHBondContact O-N 3.39Å; E90-N94 WeakPolarHBondContact O-CB 3.49Å; E90-N94 PolarHBondContact O-N 3.13Å; E90-K119 IonicContact OE1-NZ 3.59Å; E90-K119 PolarHBondContact OE1-NZ 2.97Å; E90-F122 HydrophobicContact CG-CZ 4.27Å |
| 91 | A | 94 | Very high | 93.4 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71.5 | -39.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L59 A81 I82 L88 A89 L95 | L59-A91 HydrophobicContact CD2-CB 3.71Å; A81-A91 HydrophobicContact CB-CB 3.91Å; I82-A91 HydrophobicContact CD1-CB 4.35Å; I82-A91 HydrophobicContact CG1-CB 3.64Å; L88-A91 HydrophobicContact CB-CB 4.37Å; L88-A91 HydrophobicContact CD2-CB 4.07Å; L88-A91 HydrophobicContact CG-CB 4.23Å; L88-A91 PolarHBondContact O-N 3.43Å; L88-A91 VanDerWaalsContact O-N 3.15Å; A89-A91 VanDerWaalsContact C-N 3.25Å; A89-A91 PolarHBondContact O-N 3.25Å; A91-L95 WeakPolarHBondContact O-CB 3.41Å; A91-L95 PolarHBondContact O-N 3.32Å |
| 92 | Y | 96.3 | Very high | 93.4 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.8 | -39.4 | 173.2 | -70.3 | -82.2 | 0 | 0 | 0 | 111.8 | I82 P86 L88 A89 L95 G96 H111 H114 L118 | I82-Y92 HydrophobicContact CD1-CD1 3.81Å; I82-Y92 HydrophobicContact CD1-CD2 4.45Å; I82-Y92 HydrophobicContact CD1-CE1 3.86Å; I82-Y92 HydrophobicContact CD1-CE2 4.48Å; I82-Y92 HydrophobicContact CD1-CG 4.13Å; I82-Y92 HydrophobicContact CG1-CD1 4.42Å; I82-Y92 HydrophobicContact CG1-CD2 4.26Å; I82-Y92 HydrophobicContact CG1-CE1 4.27Å; I82-Y92 HydrophobicContact CG1-CE2 4.08Å; I82-Y92 HydrophobicContact CG1-CG 4.43Å; I82-Y92 HydrophobicContact CG2-CE1 4.12Å; I82-Y92 HydrophobicContact CG2-CE2 4.22Å; I82-Y92 WeakPolarHBondContact CG2-OH 3.17Å; P86-Y92 WeakPolarHBondContact O-CE2 3.32Å; P86-Y92 PolarHBondContact O-OH 3.39Å; L88-Y92 WeakPolarHBondContact O-CD2 3.41Å; A89-Y92 PolarHBondContact O-N 3.24Å; Y92-L95 PolarHBondContact O-N 2.6Å; Y92-G96 PolarHBondContact O-N 3Å; Y92-H111 AromaticContact CD1-ND1 3.84Å; Y92-H114 HydrophobicContact CD1-CB 4.4Å; Y92-H114 AromaticContact CE1-CD2 3.81Å; Y92-L118 HydrophobicContact CD2-CD1 3.57Å; Y92-L118 HydrophobicContact CE2-CD1 3.43Å; Y92-L118 VanDerWaalsContact CE2-CD1 3.43Å |
| 93 | S | 94.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.021 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.4 | -42.4 | 176.2 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | A89 E90 L95 G96 N97 Y112 | A89-S93 PolarHBondContact O-N 2.95Å; E90-S93 PolarHBondContact O-N 3.39Å; S93-L95 VanDerWaalsContact C-N 3.31Å; S93-L95 PolarHBondContact O-N 2.84Å; S93-G96 PolarHBondContact O-N 3.24Å; S93-N97 PolarHBondContact O-N 3.38Å; S93-Y112 WeakPolarHBondContact O-CE1 3.43Å |
| 94 | N | 93.9 | Very high | 93.2 | Very high | 28 Ų | 28 | 45 Ų | 45 | 15% | 0.15 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 172.6 | -81.9 | -5.2 | 0 | 0 | 0 | 112 | S63 S78 E90 N97 V98 | S63-N94 PolarHBondContact OG-ND2 2.95Å; S78-N94 WeakPolarHBondContact OG-CB 3.41Å; E90-N94 WeakPolarHBondContact O-CB 3.49Å; E90-N94 PolarHBondContact O-N 3.13Å; N94-N97 WeakPolarHBondContact O-CB 3.37Å; N94-N97 PolarHBondContact O-N 3.16Å; N94-V98 PolarHBondContact O-N 3.39Å; N94-V98 VanDerWaalsContact O-N 3.15Å |
| 95 | L | 94.6 | Very high | 93.2 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 5% | 0.047 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.5 | -39.5 | 175.7 | -168.3 | 61.6 | 0 | 0 | 0 | 111.7 | A75 I82 A91 Y92 S93 N97 V98 Y99 | A75-L95 HydrophobicContact CB-CD1 3.84Å; I82-L95 HydrophobicContact CD1-CD2 3.96Å; A91-L95 WeakPolarHBondContact O-CB 3.41Å; A91-L95 PolarHBondContact O-N 3.32Å; Y92-L95 PolarHBondContact O-N 2.6Å; S93-L95 VanDerWaalsContact C-N 3.31Å; S93-L95 PolarHBondContact O-N 2.84Å; L95-N97 VanDerWaalsContact C-N 3.34Å; L95-N97 PolarHBondContact O-N 2.85Å; L95-V98 WeakPolarHBondContact O-CB 3.44Å; L95-V98 PolarHBondContact O-N 3Å; L95-Y99 HydrophobicContact CD1-CD2 4.47Å; L95-Y99 HydrophobicContact CD1-CE2 3.97Å; L95-Y99 HydrophobicContact CD2-CE2 4.14Å; L95-Y99 HydrophobicContact CG-CD2 4.04Å; L95-Y99 HydrophobicContact CG-CE2 3.67Å; L95-Y99 VanDerWaalsContact O-CD2 3.22Å; L95-Y99 WeakPolarHBondContact O-CD2 3.44Å; L95-Y99 PolarHBondContact O-N 2.85Å |
| 96 | G | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y92 S93 V98 Y99 K100 A108 Y112 | Y92-G96 PolarHBondContact O-N 3Å; S93-G96 PolarHBondContact O-N 3.24Å; G96-V98 VanDerWaalsContact C-N 3.31Å; G96-V98 PolarHBondContact O-N 3.45Å; G96-Y99 PolarHBondContact O-N 3.26Å; G96-K100 WeakPolarHBondContact O-CB 3.45Å; G96-K100 PolarHBondContact O-N 3.17Å; G96-A108 WeakPolarHBondContact O-CB 3.34Å; G96-Y112 VanDerWaalsContact C-CZ 3.43Å; G96-Y112 VanDerWaalsContact C-OH 3.31Å; G96-Y112 PolarHBondContact O-OH 2.92Å |
| 97 | N | 93.9 | Very high | 93.4 | Very high | 22 Ų | 22 | 45.1 Ų | 45.1 | 12% | 0.118 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 174.4 | -68.7 | -25 | 0 | 0 | 0 | 111.7 | F66 S93 N94 L95 K100 E101 Y112 | F66-N97 HydrophobicContact CD2-CB 4.35Å; F66-N97 HydrophobicContact CE1-CB 4.49Å; F66-N97 HydrophobicContact CE2-CB 3.72Å; F66-N97 HydrophobicContact CZ-CB 3.8Å; S93-N97 PolarHBondContact O-N 3.38Å; N94-N97 WeakPolarHBondContact O-CB 3.37Å; N94-N97 PolarHBondContact O-N 3.16Å; L95-N97 VanDerWaalsContact C-N 3.34Å; L95-N97 PolarHBondContact O-N 2.85Å; N97-K100 PolarHBondContact O-N 3.14Å; N97-E101 WeakPolarHBondContact O-CG 3.41Å; N97-E101 PolarHBondContact O-N 3.09Å; N97-E101 VanDerWaalsContact O-N 3.07Å; N97-Y112 WeakPolarHBondContact CA-OH 3.39Å; N97-Y112 PolarHBondContact N-OH 2.98Å; N97-Y112 WeakPolarHBondContact OD1-CE1 3.29Å; N97-Y112 PolarHBondContact OD1-OH 3.26Å |
| 98 | V | 94.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 176.5 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | F66 L71 S74 A75 N94 L95 G96 K100 E101 R102 | F66-V98 HydrophobicContact CD2-CG2 3.87Å; F66-V98 HydrophobicContact CE2-CG2 4.34Å; L71-V98 HydrophobicContact CB-CG1 4.01Å; L71-V98 HydrophobicContact CD2-CG1 4.46Å; S74-V98 WeakPolarHBondContact OG-CG2 3.43Å; A75-V98 HydrophobicContact CB-CG1 4.14Å; N94-V98 PolarHBondContact O-N 3.39Å; N94-V98 VanDerWaalsContact O-N 3.15Å; L95-V98 WeakPolarHBondContact O-CB 3.44Å; L95-V98 PolarHBondContact O-N 3Å; G96-V98 VanDerWaalsContact C-N 3.31Å; G96-V98 PolarHBondContact O-N 3.45Å; V98-K100 VanDerWaalsContact C-N 3.33Å; V98-K100 PolarHBondContact O-N 2.96Å; V98-E101 PolarHBondContact O-N 3.11Å; V98-R102 WeakPolarHBondContact O-CG 3.28Å; V98-R102 PolarHBondContact O-N 2.87Å; V98-R102 VanDerWaalsContact O-N 3.16Å |
| 99 | Y | 95 | Very high | 93.7 | Very high | 59 Ų | 59 | 38.2 Ų | 38.2 | 23% | 0.231 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -38.6 | 178.3 | -76.9 | -63.5 | 0 | 0 | 0 | 112.3 | L95 G96 R102 G103 Q104 E107 H111 | L95-Y99 HydrophobicContact CD1-CD2 4.47Å; L95-Y99 HydrophobicContact CD1-CE2 3.97Å; L95-Y99 HydrophobicContact CD2-CE2 4.14Å; L95-Y99 HydrophobicContact CG-CD2 4.04Å; L95-Y99 HydrophobicContact CG-CE2 3.67Å; L95-Y99 VanDerWaalsContact O-CD2 3.22Å; L95-Y99 WeakPolarHBondContact O-CD2 3.44Å; L95-Y99 PolarHBondContact O-N 2.85Å; G96-Y99 PolarHBondContact O-N 3.26Å; Y99-R102 PolarHBondContact O-N 3.31Å; Y99-R102 VanDerWaalsContact O-N 3.14Å; Y99-G103 PolarHBondContact O-N 3.33Å; Y99-Q104 HydrophobicContact CD1-CB 3.95Å; Y99-Q104 HydrophobicContact CD1-CG 4.45Å; Y99-Q104 PolarHBondContact O-N 2.81Å; Y99-E107 HydrophobicContact CD1-CB 3.98Å; Y99-E107 HydrophobicContact CD2-CB 4.25Å; Y99-E107 HydrophobicContact CE1-CB 4.36Å; Y99-E107 HydrophobicContact CG-CB 3.92Å; Y99-H111 AromaticContact CD2-CD2 3.36Å; Y99-H111 WeakPolarHBondContact CD2-CD2 3.29Å; Y99-H111 AromaticContact CD2-NE2 3.78Å; Y99-H111 AromaticContact CE2-CD2 3.38Å; Y99-H111 WeakPolarHBondContact CE2-CD2 3.31Å; Y99-H111 AromaticContact CE2-NE2 3.24Å; Y99-H111 WeakPolarHBondContact CE2-NE2 3.13Å |
| 100 | K | 93.3 | Very high | 93.8 | Very high | 50 Ų | 50 | 43.9 Ų | 43.9 | 22% | 0.217 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.7 | -48.2 | 175.3 | -170.6 | -174.5 | 72.2 | -176.3 | 0 | 111.5 | G96 N97 V98 R102 G103 L105 A108 A132 | G96-K100 WeakPolarHBondContact O-CB 3.45Å; G96-K100 PolarHBondContact O-N 3.17Å; N97-K100 PolarHBondContact O-N 3.14Å; V98-K100 VanDerWaalsContact C-N 3.33Å; V98-K100 PolarHBondContact O-N 2.96Å; K100-R102 PolarHBondContact O-N 3.19Å; K100-G103 PolarHBondContact O-N 2.82Å; K100-L105 HydrophobicContact CG-CD2 4.37Å; K100-A108 HydrophobicContact CB-CB 3.99Å; K100-A132 HydrophobicContact CD-CB 4.34Å |
| 101 | E | 91.6 | Very high | 93.9 | Very high | 95 Ų | 95 | 43 Ų | 43 | 44% | 0.444 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.3 | -21.4 | 177.5 | -71.3 | -62 | 131.7 | 0 | 0 | 113.4 | F66 R69 L71 N97 V98 G103 | F66-E101 HydrophobicContact CE2-CB 4.5Å; F66-E101 HydrophobicContact CE2-CG 3.74Å; F66-E101 HydrophobicContact CZ-CG 3.62Å; R69-E101 IonicContact NH1-OE2 3.24Å; L71-E101 HydrophobicContact CD1-CB 4.09Å; L71-E101 HydrophobicContact CD2-CB 4.32Å; N97-E101 WeakPolarHBondContact O-CG 3.41Å; N97-E101 PolarHBondContact O-N 3.09Å; N97-E101 VanDerWaalsContact O-N 3.07Å; V98-E101 PolarHBondContact O-N 3.11Å; E101-G103 VanDerWaalsContact C-N 3.32Å |
| 102 | R | 92.3 | Very high | 94.1 | Very high | 94 Ų | 94 | 43 Ų | 43 | 36% | 0.355 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -3.9 | 172.6 | -69.1 | 175.5 | -178.7 | -161.3 | -6.1 | 113.8 | L71 D72 V98 Y99 K100 Q104 | L71-R102 HydrophobicContact CD1-CG 3.98Å; D72-R102 IonicContact OD1-CZ 2.71Å; D72-R102 IonicContact OD1-NH1 3.73Å; D72-R102 IonicContact OD1-NH2 2.84Å; D72-R102 PolarHBondContact OD1-NH2 3.34Å; V98-R102 WeakPolarHBondContact O-CG 3.28Å; V98-R102 PolarHBondContact O-N 2.87Å; V98-R102 VanDerWaalsContact O-N 3.16Å; Y99-R102 PolarHBondContact O-N 3.31Å; Y99-R102 VanDerWaalsContact O-N 3.14Å; K100-R102 PolarHBondContact O-N 3.19Å; R102-Q104 HydrophobicContact CB-CG 4.14Å; R102-Q104 PolarHBondContact O-N 2.95Å |
| 103 | G | 88.9 | Confident | 94 | Very high | 55 Ų | 55 | 47 Ų | 47 | 57% | 0.567 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | Y99 K100 E101 L105 | Y99-G103 PolarHBondContact O-N 3.33Å; K100-G103 PolarHBondContact O-N 2.82Å; E101-G103 VanDerWaalsContact C-N 3.32Å; G103-L105 VanDerWaalsContact C-N 3.29Å; G103-L105 PolarHBondContact O-N 3.28Å; G103-L105 VanDerWaalsContact O-N 3.09Å |
| 104 | Q | 93.7 | Very high | 94.1 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 30% | 0.299 | 24% | 0.238 | S | C | . | . | trans | -86.3 | 70.9 | 177.5 | -65.2 | -176.5 | -88.4 | 0 | 0 | 109.6 | Y99 R102 Q106 E107 A108 | Y99-Q104 HydrophobicContact CD1-CB 3.95Å; Y99-Q104 HydrophobicContact CD1-CG 4.45Å; Y99-Q104 PolarHBondContact O-N 2.81Å; R102-Q104 HydrophobicContact CB-CG 4.14Å; R102-Q104 PolarHBondContact O-N 2.95Å; Q104-Q106 PolarHBondContact O-N 2.81Å; Q104-E107 HydrophobicContact CB-CB 4.49Å; Q104-E107 PolarHBondContact NE2-OE1 2.86Å; Q104-A108 WeakPolarHBondContact O-CB 3.49Å; Q104-A108 PolarHBondContact O-N 2.79Å; Q104-A108 VanDerWaalsContact O-N 3.09Å | ||
| 105 | L | 92.7 | Very high | 94.1 | Very high | 44 Ų | 44 | 48.3 Ų | 48.3 | 23% | 0.23 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.3 | -35.2 | -167.2 | -63.6 | 177.1 | 0 | 0 | 0 | 113.4 | K100 G103 A108 I109 A135 A136 | K100-L105 HydrophobicContact CG-CD2 4.37Å; G103-L105 VanDerWaalsContact C-N 3.29Å; G103-L105 PolarHBondContact O-N 3.28Å; G103-L105 VanDerWaalsContact O-N 3.09Å; L105-A108 PolarHBondContact O-N 3.16Å; L105-I109 WeakPolarHBondContact O-CB 3.27Å; L105-I109 WeakPolarHBondContact O-CD1 3.49Å; L105-I109 VanDerWaalsContact O-CG1 3.22Å; L105-I109 WeakPolarHBondContact O-CG1 3.39Å; L105-I109 PolarHBondContact O-N 2.94Å; L105-A135 HydrophobicContact CD1-CB 4.01Å; L105-A135 WeakPolarHBondContact CD1-O 3.33Å; L105-A135 HydrophobicContact CD2-CB 3.99Å; L105-A136 HydrophobicContact CB-CB 4.4Å; L105-A136 HydrophobicContact CD1-CB 4.19Å |
| 106 | Q | 93.1 | Very high | 94.1 | Very high | 116 Ų | 116 | 48.6 Ų | 48.6 | 54% | 0.542 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68.5 | -46.6 | -179.3 | -71.5 | -63.1 | -16.4 | 0 | 0 | 111.3 | Q104 A108 I109 E110 | Q104-Q106 PolarHBondContact O-N 2.81Å; Q106-A108 VanDerWaalsContact C-N 3.29Å; Q106-A108 PolarHBondContact O-N 2.98Å; Q106-I109 PolarHBondContact O-N 3.46Å; Q106-E110 WeakPolarHBondContact O-CG 3.36Å; Q106-E110 PolarHBondContact O-N 3.33Å |
| 107 | E | 93.4 | Very high | 94.2 | Very high | 72 Ų | 72 | 56.6 Ų | 56.6 | 34% | 0.336 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 176 | -60.3 | 95.2 | 133.1 | 0 | 0 | 110.8 | Y99 Q104 E110 H111 | Y99-E107 HydrophobicContact CD1-CB 3.98Å; Y99-E107 HydrophobicContact CD2-CB 4.25Å; Y99-E107 HydrophobicContact CE1-CB 4.36Å; Y99-E107 HydrophobicContact CG-CB 3.92Å; Q104-E107 HydrophobicContact CB-CB 4.49Å; Q104-E107 PolarHBondContact NE2-OE1 2.86Å; E107-E110 PolarHBondContact O-N 3.31Å; E107-H111 PolarHBondContact O-CD2 3.03Å; E107-H111 PolarHBondContact O-N 2.84Å |
| 108 | A | 95.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -49.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | G96 K100 Q104 L105 Q106 E110 H111 Y112 | G96-A108 WeakPolarHBondContact O-CB 3.34Å; K100-A108 HydrophobicContact CB-CB 3.99Å; Q104-A108 WeakPolarHBondContact O-CB 3.49Å; Q104-A108 PolarHBondContact O-N 2.79Å; Q104-A108 VanDerWaalsContact O-N 3.09Å; L105-A108 PolarHBondContact O-N 3.16Å; Q106-A108 VanDerWaalsContact C-N 3.29Å; Q106-A108 PolarHBondContact O-N 2.98Å; A108-E110 VanDerWaalsContact C-N 3.34Å; A108-E110 PolarHBondContact O-N 2.99Å; A108-H111 PolarHBondContact O-N 3.25Å; A108-Y112 HydrophobicContact CB-CD2 4.5Å; A108-Y112 HydrophobicContact CB-CE2 4.03Å; A108-Y112 WeakPolarHBondContact O-CD2 3.5Å; A108-Y112 PolarHBondContact O-N 3.26Å |
| 109 | I | 95.8 | Very high | 94.1 | Very high | 4 Ų | 4 | 61.3 Ų | 61.3 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 178.4 | -71.8 | 161.8 | 0 | 0 | 0 | 111.1 | L105 Q106 Y112 R113 L129 A132 L133 A136 | L105-I109 WeakPolarHBondContact O-CB 3.27Å; L105-I109 WeakPolarHBondContact O-CD1 3.49Å; L105-I109 VanDerWaalsContact O-CG1 3.22Å; L105-I109 WeakPolarHBondContact O-CG1 3.39Å; L105-I109 PolarHBondContact O-N 2.94Å; Q106-I109 PolarHBondContact O-N 3.46Å; I109-Y112 PolarHBondContact O-N 3.48Å; I109-R113 HydrophobicContact CG2-CG 4.41Å; I109-R113 WeakPolarHBondContact O-CB 3.47Å; I109-R113 VanDerWaalsContact O-CG 3.32Å; I109-R113 WeakPolarHBondContact O-CG 3.38Å; I109-R113 PolarHBondContact O-N 2.65Å; I109-L129 HydrophobicContact CB-CD1 4.35Å; I109-L129 HydrophobicContact CG1-CD1 4.29Å; I109-L129 HydrophobicContact CG2-CD1 3.91Å; I109-A132 HydrophobicContact CG1-CB 3.96Å; I109-L133 HydrophobicContact CD1-CD2 3.79Å; I109-L133 HydrophobicContact CD1-CG 4.43Å; I109-L133 HydrophobicContact CG1-CD2 4.16Å; I109-L133 HydrophobicContact CG1-CG 4.45Å; I109-L133 HydrophobicContact CG2-CD2 4.29Å; I109-A136 HydrophobicContact CD1-CB 3.96Å |
| 110 | E | 95.7 | Very high | 94 | Very high | 122 Ų | 122 | 61.7 Ų | 61.7 | 57% | 0.57 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.4 | -44.5 | 177.3 | -74.4 | -177.9 | 179.9 | 0 | 0 | 112 | Q106 E107 A108 R113 H114 | Q106-E110 WeakPolarHBondContact O-CG 3.36Å; Q106-E110 PolarHBondContact O-N 3.33Å; E107-E110 PolarHBondContact O-N 3.31Å; A108-E110 VanDerWaalsContact C-N 3.34Å; A108-E110 PolarHBondContact O-N 2.99Å; E110-R113 PolarHBondContact O-N 3.44Å; E110-H114 WeakPolarHBondContact O-CB 3.41Å; E110-H114 PolarHBondContact O-N 3.1Å |
| 111 | H | 95.8 | Very high | 93.9 | Very high | 40 Ų | 40 | 63.6 Ų | 63.6 | 19% | 0.185 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 177.7 | -78.7 | -59.7 | 0 | 0 | 0 | 112.7 | Y92 Y99 E107 A108 H114 A115 | Y92-H111 AromaticContact CD1-ND1 3.84Å; Y99-H111 AromaticContact CD2-CD2 3.36Å; Y99-H111 WeakPolarHBondContact CD2-CD2 3.29Å; Y99-H111 AromaticContact CD2-NE2 3.78Å; Y99-H111 AromaticContact CE2-CD2 3.38Å; Y99-H111 WeakPolarHBondContact CE2-CD2 3.31Å; Y99-H111 AromaticContact CE2-NE2 3.24Å; Y99-H111 WeakPolarHBondContact CE2-NE2 3.13Å; E107-H111 PolarHBondContact O-CD2 3.03Å; E107-H111 PolarHBondContact O-N 2.84Å; A108-H111 PolarHBondContact O-N 3.25Å; H111-H114 PolarHBondContact O-N 3.2Å; H111-A115 PolarHBondContact O-N 2.64Å |
| 112 | Y | 96.6 | Very high | 94 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.7 | -44.5 | 174.2 | -62.9 | -50.6 | 0 | 0 | 0 | 112 | S93 G96 N97 A108 I109 H114 A115 L116 N128 L129 A132 | S93-Y112 WeakPolarHBondContact O-CE1 3.43Å; G96-Y112 VanDerWaalsContact C-CZ 3.43Å; G96-Y112 VanDerWaalsContact C-OH 3.31Å; G96-Y112 PolarHBondContact O-OH 2.92Å; N97-Y112 WeakPolarHBondContact CA-OH 3.39Å; N97-Y112 PolarHBondContact N-OH 2.98Å; N97-Y112 WeakPolarHBondContact OD1-CE1 3.29Å; N97-Y112 PolarHBondContact OD1-OH 3.26Å; A108-Y112 HydrophobicContact CB-CD2 4.5Å; A108-Y112 HydrophobicContact CB-CE2 4.03Å; A108-Y112 WeakPolarHBondContact O-CD2 3.5Å; A108-Y112 PolarHBondContact O-N 3.26Å; I109-Y112 PolarHBondContact O-N 3.48Å; Y112-H114 PolarHBondContact O-N 3.25Å; Y112-A115 WeakPolarHBondContact O-CB 3.34Å; Y112-A115 PolarHBondContact O-N 3.12Å; Y112-A115 VanDerWaalsContact O-N 3.16Å; Y112-L116 VanDerWaalsContact O-CG 3.31Å; Y112-L116 WeakPolarHBondContact O-CG 3.31Å; Y112-L116 PolarHBondContact O-N 3.01Å; Y112-N128 HydrophobicContact CD1-CB 4.05Å; Y112-N128 HydrophobicContact CE1-CB 3.55Å; Y112-N128 HydrophobicContact CE2-CB 4.17Å; Y112-L129 HydrophobicContact CG-CB 4.49Å; Y112-A132 HydrophobicContact CD2-CB 4.28Å; Y112-A132 HydrophobicContact CE2-CB 3.97Å |
| 113 | R | 95.9 | Very high | 94 | Very high | 109 Ų | 109 | 57.6 Ų | 57.6 | 41% | 0.411 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 174.5 | -75.8 | 176.3 | 176.2 | 161.3 | 0.9 | 111.2 | I109 E110 L116 R117 L129 | I109-R113 HydrophobicContact CG2-CG 4.41Å; I109-R113 WeakPolarHBondContact O-CB 3.47Å; I109-R113 VanDerWaalsContact O-CG 3.32Å; I109-R113 WeakPolarHBondContact O-CG 3.38Å; I109-R113 PolarHBondContact O-N 2.65Å; E110-R113 PolarHBondContact O-N 3.44Å; R113-L116 PolarHBondContact O-N 3.46Å; R113-R117 WeakPolarHBondContact O-CG 3.24Å; R113-R117 PolarHBondContact O-N 2.93Å; R113-L129 HydrophobicContact CG-CD1 4.22Å; R113-L129 HydrophobicContact CG-CD2 4.24Å |
| 114 | H | 95.2 | Very high | 94 | Very high | 60 Ų | 60 | 59.6 Ų | 59.6 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 175.5 | -159.6 | -16.9 | 0 | 0 | 0 | 112.2 | Y92 E110 H111 Y112 L116 R117 L118 | Y92-H114 HydrophobicContact CD1-CB 4.4Å; Y92-H114 AromaticContact CE1-CD2 3.81Å; E110-H114 WeakPolarHBondContact O-CB 3.41Å; E110-H114 PolarHBondContact O-N 3.1Å; H111-H114 PolarHBondContact O-N 3.2Å; Y112-H114 PolarHBondContact O-N 3.25Å; H114-L116 VanDerWaalsContact C-N 3.29Å; H114-L116 PolarHBondContact O-N 2.85Å; H114-R117 PolarHBondContact O-N 2.74Å; H114-L118 WeakPolarHBondContact O-CG 3.4Å; H114-L118 PolarHBondContact O-N 3.39Å |
| 115 | A | 95 | Very high | 94 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.7 | -44.6 | 174 | 0 | 0 | 0 | 0 | 0 | 111.3 | A89 H111 Y112 L118 K119 F122 | A89-A115 HydrophobicContact CB-CB 4.37Å; A89-A115 WeakPolarHBondContact CB-O 3.49Å; A89-A115 WeakPolarHBondContact O-CB 3.33Å; H111-A115 PolarHBondContact O-N 2.64Å; Y112-A115 WeakPolarHBondContact O-CB 3.34Å; Y112-A115 PolarHBondContact O-N 3.12Å; Y112-A115 VanDerWaalsContact O-N 3.16Å; A115-L118 PolarHBondContact O-N 3.05Å; A115-K119 PolarHBondContact O-N 3.13Å; A115-F122 HydrophobicContact CB-CD1 4.28Å; A115-F122 HydrophobicContact CB-CE1 4.4Å |
| 116 | L | 94.7 | Very high | 94.2 | Very high | 15 Ų | 15 | 56 Ų | 56 | 8% | 0.079 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -69.2 | -31 | 179.2 | -68 | 170.1 | 0 | 0 | 0 | 113.4 | Y112 R113 H114 L118 K119 P120 F122 Y126 L129 | Y112-L116 VanDerWaalsContact O-CG 3.31Å; Y112-L116 WeakPolarHBondContact O-CG 3.31Å; Y112-L116 PolarHBondContact O-N 3.01Å; R113-L116 PolarHBondContact O-N 3.46Å; H114-L116 VanDerWaalsContact C-N 3.29Å; H114-L116 PolarHBondContact O-N 2.85Å; L116-L118 VanDerWaalsContact C-N 3.29Å; L116-L118 PolarHBondContact O-N 3.25Å; L116-K119 CarbonylContact O-C 3.55Å; L116-K119 VanDerWaalsContact O-C 3.32Å; L116-P120 VanDerWaalsContact O-CA 3.28Å; L116-P120 WeakPolarHBondContact O-CA 3.44Å; L116-F122 HydrophobicContact CD2-CB 4.21Å; L116-F122 WeakPolarHBondContact CD2-O 3.31Å; L116-Y126 HydrophobicContact CD1-CD1 3.61Å; L116-Y126 HydrophobicContact CD1-CE1 3.73Å; L116-Y126 HydrophobicContact CD1-CG 4.14Å; L116-Y126 HydrophobicContact CD2-CD1 3.99Å; L116-Y126 HydrophobicContact CD2-CD2 3.64Å; L116-Y126 HydrophobicContact CD2-CE1 3.93Å; L116-Y126 HydrophobicContact CD2-CE2 3.59Å; L116-Y126 HydrophobicContact CD2-CG 3.83Å; L116-Y126 HydrophobicContact CG-CD1 4.43Å; L116-Y126 HydrophobicContact CG-CE1 4.34Å; L116-L129 HydrophobicContact CD1-CB 4.39Å; L116-L129 HydrophobicContact CD1-CD2 3.62Å |
| 117 | R | 95 | Very high | 94.3 | Very high | 168 Ų | 168 | 52.6 Ų | 52.6 | 63% | 0.634 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.3 | -34 | 170.7 | -76.5 | -170.3 | -61.5 | -101.7 | 1.7 | 112.5 | R113 H114 | R113-R117 WeakPolarHBondContact O-CG 3.24Å; R113-R117 PolarHBondContact O-N 2.93Å; H114-R117 PolarHBondContact O-N 2.74Å |
| 118 | L | 93.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 50.8 Ų | 50.8 | 28% | 0.277 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -79.3 | -38.4 | 179.4 | -66.7 | 172.9 | 0 | 0 | 0 | 111.9 | L87 A89 Y92 H114 A115 L116 | L87-L118 HydrophobicContact CD2-CD2 3.76Å; A89-L118 HydrophobicContact CB-CB 4.1Å; Y92-L118 HydrophobicContact CD2-CD1 3.57Å; Y92-L118 HydrophobicContact CE2-CD1 3.43Å; Y92-L118 VanDerWaalsContact CE2-CD1 3.43Å; H114-L118 WeakPolarHBondContact O-CG 3.4Å; H114-L118 PolarHBondContact O-N 3.39Å; A115-L118 PolarHBondContact O-N 3.05Å; L116-L118 VanDerWaalsContact C-N 3.29Å; L116-L118 PolarHBondContact O-N 3.25Å |
| 119 | K | 93.6 | Very high | 94.4 | Very high | 68 Ų | 68 | 51.4 Ų | 51.4 | 30% | 0.296 | 24% | 0.243 | S | C | . | . | trans | -134.5 | 87.1 | -178.6 | -171.5 | 178.9 | -177 | -175 | 0 | 109.7 | A89 E90 A115 L116 D121 F122 | A89-K119 HydrophobicContact CB-CB 3.48Å; A89-K119 VanDerWaalsContact CB-CB 3.48Å; A89-K119 HydrophobicContact CB-CD 4.18Å; A89-K119 HydrophobicContact CB-CG 4.49Å; E90-K119 IonicContact OE1-NZ 3.59Å; E90-K119 PolarHBondContact OE1-NZ 2.97Å; A115-K119 PolarHBondContact O-N 3.13Å; L116-K119 CarbonylContact O-C 3.55Å; L116-K119 VanDerWaalsContact O-C 3.32Å; K119-D121 WeakPolarHBondContact CG-OD1 3.4Å; K119-D121 PolarHBondContact O-N 3.5Å; K119-F122 HydrophobicContact CB-CB 4.08Å; K119-F122 HydrophobicContact CD-CB 3.97Å; K119-F122 HydrophobicContact CD-CG 4.24Å; K119-F122 HydrophobicContact CG-CB 3.9Å; K119-F122 WeakPolarHBondContact O-CB 3.19Å; K119-F122 PolarHBondContact O-N 3.43Å; K119-F122 VanDerWaalsContact O-N 3.1Å | ||
| 120 | P | 93.1 | Very high | 94.4 | Very high | 66 Ų | 66 | 51.2 Ų | 51.2 | 43% | 0.429 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -25.1 | -175.8 | -27.5 | 36.5 | 0 | 0 | 0 | 114.8 | L116 F122 Y126 Y152 | L116-P120 VanDerWaalsContact O-CA 3.28Å; L116-P120 WeakPolarHBondContact O-CA 3.44Å; P120-F122 VanDerWaalsContact C-N 3.3Å; P120-Y126 WeakPolarHBondContact O-CE2 3.29Å; P120-Y126 PolarHBondContact O-OH 3.05Å; P120-Y152 WeakPolarHBondContact O-CE2 3.39Å; P120-Y152 PolarHBondContact O-OH 2.88Å; P120-Y152 VanDerWaalsContact O-OH 3.12Å |
| 121 | D | 91.9 | Very high | 94.2 | Very high | 91 Ų | 91 | 47.1 Ų | 47.1 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 12.5 | 177.4 | 65.3 | -25.2 | 0 | 0 | 0 | 113.6 | K119 I123 Y152 | K119-D121 WeakPolarHBondContact CG-OD1 3.4Å; K119-D121 PolarHBondContact O-N 3.5Å; D121-I123 PolarHBondContact O-N 2.93Å; D121-Y152 HydrophobicContact CB-CD1 3.78Å; D121-Y152 HydrophobicContact CB-CE1 3.68Å |
| 122 | F | 93.3 | Very high | 94.1 | Very high | 21 Ų | 21 | 45.2 Ų | 45.2 | 9% | 0.092 | 22% | 0.22 | C | C | . | . | trans | -79.2 | 83.7 | -178.8 | -169.5 | -163.4 | 0 | 0 | 0 | 112.7 | A89 E90 A115 L116 K119 P120 D124 G125 Y126 | A89-F122 HydrophobicContact CB-CD1 4.21Å; A89-F122 HydrophobicContact CB-CE1 4.49Å; E90-F122 HydrophobicContact CG-CZ 4.27Å; A115-F122 HydrophobicContact CB-CD1 4.28Å; A115-F122 HydrophobicContact CB-CE1 4.4Å; L116-F122 HydrophobicContact CD2-CB 4.21Å; L116-F122 WeakPolarHBondContact CD2-O 3.31Å; K119-F122 HydrophobicContact CB-CB 4.08Å; K119-F122 HydrophobicContact CD-CB 3.97Å; K119-F122 HydrophobicContact CD-CG 4.24Å; K119-F122 HydrophobicContact CG-CB 3.9Å; K119-F122 WeakPolarHBondContact O-CB 3.19Å; K119-F122 PolarHBondContact O-N 3.43Å; K119-F122 VanDerWaalsContact O-N 3.1Å; P120-F122 VanDerWaalsContact C-N 3.3Å; F122-D124 HydrophobicContact CD2-CB 4.34Å; F122-D124 HydrophobicContact CE2-CB 3.85Å; F122-D124 HydrophobicContact CZ-CB 4.47Å; F122-D124 PolarHBondContact O-N 2.58Å; F122-G125 WeakPolarHBondContact O-CA 3.41Å; F122-G125 PolarHBondContact O-N 3.45Å; F122-Y126 PolarHBondContact O-N 2.96Å | ||
| 123 | I | 92.4 | Very high | 94.1 | Very high | 42 Ų | 42 | 45.4 Ų | 45.4 | 22% | 0.215 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -49.7 | -52.1 | -178.3 | -65.9 | 165.9 | 0 | 0 | 0 | 112.9 | D121 G125 Y126 I127 N153 L156 | D121-I123 PolarHBondContact O-N 2.93Å; I123-G125 PolarHBondContact O-N 3.36Å; I123-Y126 PolarHBondContact O-N 3.23Å; I123-I127 HydrophobicContact CG2-CD1 3.88Å; I123-I127 HydrophobicContact CG2-CG1 4.47Å; I123-I127 PolarHBondContact O-N 2.95Å; I123-N153 HydrophobicContact CD1-CB 3.57Å; I123-L156 HydrophobicContact CG2-CD1 3.51Å |
| 124 | D | 89.4 | Confident | 93.9 | Very high | 97 Ų | 97 | 42.8 Ų | 42.8 | 52% | 0.519 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -61.1 | -28.4 | 179.9 | -65.5 | -30.1 | 0 | 0 | 0 | 112.1 | F122 N128 | F122-D124 HydrophobicContact CD2-CB 4.34Å; F122-D124 HydrophobicContact CE2-CB 3.85Å; F122-D124 HydrophobicContact CZ-CB 4.47Å; F122-D124 PolarHBondContact O-N 2.58Å; D124-N128 VanDerWaalsContact O-CB 3.32Å; D124-N128 WeakPolarHBondContact O-CB 3.41Å; D124-N128 PolarHBondContact O-N 3.16Å; D124-N128 PolarHBondContact O-ND2 2.81Å |
| 125 | G | 93.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.3 | -43.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F122 I123 L129 | F122-G125 WeakPolarHBondContact O-CA 3.41Å; F122-G125 PolarHBondContact O-N 3.45Å; I123-G125 PolarHBondContact O-N 3.36Å; G125-L129 VanDerWaalsContact O-CB 3.22Å; G125-L129 WeakPolarHBondContact O-CB 3.42Å; G125-L129 PolarHBondContact O-N 3.22Å |
| 126 | Y | 96.6 | Very high | 93.5 | Very high | 32 Ų | 32 | 45 Ų | 45 | 13% | 0.125 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69 | -41.4 | 176.5 | -72.3 | -70.2 | 0 | 0 | 0 | 112.5 | L116 P120 F122 I123 L129 A130 A145 S148 Y152 | L116-Y126 HydrophobicContact CD1-CD1 3.61Å; L116-Y126 HydrophobicContact CD1-CE1 3.73Å; L116-Y126 HydrophobicContact CD1-CG 4.14Å; L116-Y126 HydrophobicContact CD2-CD1 3.99Å; L116-Y126 HydrophobicContact CD2-CD2 3.64Å; L116-Y126 HydrophobicContact CD2-CE1 3.93Å; L116-Y126 HydrophobicContact CD2-CE2 3.59Å; L116-Y126 HydrophobicContact CD2-CG 3.83Å; L116-Y126 HydrophobicContact CG-CD1 4.43Å; L116-Y126 HydrophobicContact CG-CE1 4.34Å; P120-Y126 WeakPolarHBondContact O-CE2 3.29Å; P120-Y126 PolarHBondContact O-OH 3.05Å; F122-Y126 PolarHBondContact O-N 2.96Å; I123-Y126 PolarHBondContact O-N 3.23Å; Y126-L129 PolarHBondContact O-N 3.27Å; Y126-A130 WeakPolarHBondContact O-CB 3.2Å; Y126-A130 PolarHBondContact O-N 3.23Å; Y126-A145 WeakPolarHBondContact CB-O 3.41Å; Y126-S148 VanDerWaalsContact CE1-CB 3.45Å; Y126-Y152 HydrophobicContact CD2-CD2 4.38Å; Y126-Y152 AromaticContact CE2-CD2 3.79Å; Y126-Y152 HydrophobicContact CE2-CD2 3.79Å; Y126-Y152 AromaticContact CE2-CE2 3.58Å; Y126-Y152 HydrophobicContact CE2-CE2 3.58Å |
| 127 | I | 94.8 | Very high | 93.2 | Very high | 44 Ų | 44 | 46.7 Ų | 46.7 | 23% | 0.226 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -45.9 | 178.2 | -63.4 | 170 | 0 | 0 | 0 | 110.2 | I123 A130 A131 A149 L156 V159 | I123-I127 HydrophobicContact CG2-CD1 3.88Å; I123-I127 HydrophobicContact CG2-CG1 4.47Å; I123-I127 PolarHBondContact O-N 2.95Å; I127-A130 PolarHBondContact O-N 3.33Å; I127-A131 PolarHBondContact O-N 2.8Å; I127-A149 HydrophobicContact CG1-CB 4.19Å; I127-L156 HydrophobicContact CD1-CD1 4.44Å; I127-V159 HydrophobicContact CD1-CG2 3.61Å; I127-V159 HydrophobicContact CG1-CG1 4.43Å; I127-V159 HydrophobicContact CG1-CG2 3.92Å |
| 128 | N | 94 | Very high | 93.1 | Very high | 35 Ų | 35 | 41.9 Ų | 41.9 | 19% | 0.187 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.6 | -37.9 | 177.8 | -75.8 | -49.7 | 0 | 0 | 0 | 112.5 | Y112 D124 A131 A132 | Y112-N128 HydrophobicContact CD1-CB 4.05Å; Y112-N128 HydrophobicContact CE1-CB 3.55Å; Y112-N128 HydrophobicContact CE2-CB 4.17Å; D124-N128 VanDerWaalsContact O-CB 3.32Å; D124-N128 WeakPolarHBondContact O-CB 3.41Å; D124-N128 PolarHBondContact O-N 3.16Å; D124-N128 PolarHBondContact O-ND2 2.81Å; N128-A131 PolarHBondContact O-N 3.45Å; N128-A132 WeakPolarHBondContact O-CB 3.48Å; N128-A132 PolarHBondContact O-N 2.97Å |
| 129 | L | 96.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 42.9 Ų | 42.9 | 6% | 0.063 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 172.4 | 175.9 | 61.6 | 0 | 0 | 0 | 111.1 | I109 Y112 R113 L116 G125 Y126 A131 A132 L133 A145 | I109-L129 HydrophobicContact CB-CD1 4.35Å; I109-L129 HydrophobicContact CG1-CD1 4.29Å; I109-L129 HydrophobicContact CG2-CD1 3.91Å; Y112-L129 HydrophobicContact CG-CB 4.49Å; R113-L129 HydrophobicContact CG-CD1 4.22Å; R113-L129 HydrophobicContact CG-CD2 4.24Å; L116-L129 HydrophobicContact CD1-CB 4.39Å; L116-L129 HydrophobicContact CD1-CD2 3.62Å; G125-L129 VanDerWaalsContact O-CB 3.22Å; G125-L129 WeakPolarHBondContact O-CB 3.42Å; G125-L129 PolarHBondContact O-N 3.22Å; Y126-L129 PolarHBondContact O-N 3.27Å; L129-A131 PolarHBondContact O-N 2.95Å; L129-A132 PolarHBondContact O-N 2.82Å; L129-L133 HydrophobicContact CD1-CD1 3.79Å; L129-L133 HydrophobicContact CD1-CG 3.94Å; L129-L133 HydrophobicContact CD2-CD1 4.35Å; L129-L133 HydrophobicContact CG-CD1 3.68Å; L129-L133 HydrophobicContact CG-CG 4.28Å; L129-L133 WeakPolarHBondContact O-CB 3.18Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.5Å; L129-L133 PolarHBondContact O-N 2.6Å; L129-A145 HydrophobicContact CD2-CB 4.2Å; L129-A145 HydrophobicContact CG-CB 4.19Å |
| 130 | A | 95.4 | Very high | 93 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.6 | -47 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y126 I127 A132 L133 V134 A145 Y146 | Y126-A130 WeakPolarHBondContact O-CB 3.2Å; Y126-A130 PolarHBondContact O-N 3.23Å; I127-A130 PolarHBondContact O-N 3.33Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 2.77Å; A130-L133 PolarHBondContact O-N 3.14Å; A130-V134 WeakPolarHBondContact O-CG2 3.47Å; A130-V134 PolarHBondContact O-N 2.8Å; A130-A145 HydrophobicContact CB-CB 3.77Å; A130-Y146 HydrophobicContact CB-CD1 3.57Å; A130-Y146 HydrophobicContact CB-CD2 3.84Å; A130-Y146 HydrophobicContact CB-CE1 3.48Å; A130-Y146 VanDerWaalsContact CB-CE1 3.48Å; A130-Y146 HydrophobicContact CB-CE2 3.72Å; A130-Y146 HydrophobicContact CB-CG 3.77Å |
| 131 | A | 93 | Very high | 93.1 | Very high | 36 Ų | 36 | 41.1 Ų | 41.1 | 30% | 0.298 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60 | -41 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | I127 N128 L129 A135 | I127-A131 PolarHBondContact O-N 2.8Å; N128-A131 PolarHBondContact O-N 3.45Å; L129-A131 PolarHBondContact O-N 2.95Å; A131-A135 PolarHBondContact O-N 3.01Å; A131-A135 VanDerWaalsContact O-N 3.13Å |
| 132 | A | 93.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.6 | -37.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K100 I109 Y112 N128 L129 A130 A135 A136 | K100-A132 HydrophobicContact CD-CB 4.34Å; I109-A132 HydrophobicContact CG1-CB 3.96Å; Y112-A132 HydrophobicContact CD2-CB 4.28Å; Y112-A132 HydrophobicContact CE2-CB 3.97Å; N128-A132 WeakPolarHBondContact O-CB 3.48Å; N128-A132 PolarHBondContact O-N 2.97Å; L129-A132 PolarHBondContact O-N 2.82Å; A130-A132 VanDerWaalsContact C-N 3.33Å; A130-A132 PolarHBondContact O-N 2.77Å; A132-A135 PolarHBondContact O-N 2.83Å; A132-A136 WeakPolarHBondContact O-CB 3.4Å; A132-A136 PolarHBondContact O-N 2.93Å |
| 133 | L | 95.5 | Very high | 93.4 | Very high | 5 Ų | 5 | 36.4 Ų | 36.4 | 3% | 0.026 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.5 | -41 | 176.8 | -72.2 | 168.6 | 0 | 0 | 0 | 112 | I109 L129 A130 A135 A136 G137 D138 G141 A142 A145 | I109-L133 HydrophobicContact CD1-CD2 3.79Å; I109-L133 HydrophobicContact CD1-CG 4.43Å; I109-L133 HydrophobicContact CG1-CD2 4.16Å; I109-L133 HydrophobicContact CG1-CG 4.45Å; I109-L133 HydrophobicContact CG2-CD2 4.29Å; L129-L133 HydrophobicContact CD1-CD1 3.79Å; L129-L133 HydrophobicContact CD1-CG 3.94Å; L129-L133 HydrophobicContact CD2-CD1 4.35Å; L129-L133 HydrophobicContact CG-CD1 3.68Å; L129-L133 HydrophobicContact CG-CG 4.28Å; L129-L133 WeakPolarHBondContact O-CB 3.18Å; L129-L133 VanDerWaalsContact O-CG 3.25Å; L129-L133 WeakPolarHBondContact O-CG 3.5Å; L129-L133 PolarHBondContact O-N 2.6Å; A130-L133 PolarHBondContact O-N 3.14Å; L133-A135 VanDerWaalsContact C-N 3.34Å; L133-A135 PolarHBondContact O-N 3.21Å; L133-A136 CarbonylContact O-C 3.32Å; L133-A136 PolarHBondContact O-N 3.4Å; L133-A136 VanDerWaalsContact O-N 3.16Å; L133-G137 PolarHBondContact O-N 2.88Å; L133-D138 HydrophobicContact CB-CB 4.44Å; L133-D138 HydrophobicContact CD2-CB 3.99Å; L133-D138 PolarHBondContact O-N 2.81Å; L133-G141 VanDerWaalsContact CD1-C 3.45Å; L133-G141 WeakPolarHBondContact CD1-O 3.43Å; L133-A142 HydrophobicContact CB-CB 3.85Å; L133-A145 HydrophobicContact CD1-CB 4.33Å |
| 134 | V | 92.3 | Very high | 93.5 | Very high | 54 Ų | 54 | 40.5 Ų | 40.5 | 33% | 0.327 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.1 | -46.8 | 171.7 | 173 | 0 | 0 | 0 | 0 | 110.5 | A130 A136 G137 A142 L166 | A130-V134 WeakPolarHBondContact O-CG2 3.47Å; A130-V134 PolarHBondContact O-N 2.8Å; V134-A136 PolarHBondContact O-N 2.91Å; V134-G137 PolarHBondContact O-N 2.97Å; V134-G137 VanDerWaalsContact O-N 3.1Å; V134-A142 HydrophobicContact CG2-CB 3.55Å; V134-L166 HydrophobicContact CG2-CD1 4.3Å; V134-L166 HydrophobicContact CG2-CD2 4.23Å |
| 135 | A | 90.2 | Very high | 93.8 | Very high | 64 Ų | 64 | 36.1 Ų | 36.1 | 53% | 0.529 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.4 | -29.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | L105 A131 A132 L133 | L105-A135 HydrophobicContact CD1-CB 4.01Å; L105-A135 WeakPolarHBondContact CD1-O 3.33Å; L105-A135 HydrophobicContact CD2-CB 3.99Å; A131-A135 PolarHBondContact O-N 3.01Å; A131-A135 VanDerWaalsContact O-N 3.13Å; A132-A135 PolarHBondContact O-N 2.83Å; L133-A135 VanDerWaalsContact C-N 3.34Å; L133-A135 PolarHBondContact O-N 3.21Å |
| 136 | A | 90.7 | Very high | 93.9 | Very high | 43 Ų | 43 | 37.1 Ų | 37.1 | 36% | 0.355 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -84.5 | -6.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L105 I109 A132 L133 V134 | L105-A136 HydrophobicContact CB-CB 4.4Å; L105-A136 HydrophobicContact CD1-CB 4.19Å; I109-A136 HydrophobicContact CD1-CB 3.96Å; A132-A136 WeakPolarHBondContact O-CB 3.4Å; A132-A136 PolarHBondContact O-N 2.93Å; L133-A136 CarbonylContact O-C 3.32Å; L133-A136 PolarHBondContact O-N 3.4Å; L133-A136 VanDerWaalsContact O-N 3.16Å; V134-A136 PolarHBondContact O-N 2.91Å |
| 137 | G | 90.1 | Very high | 93.9 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 51% | 0.505 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84 | 4.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | L133 V134 M139 | L133-G137 PolarHBondContact O-N 2.88Å; V134-G137 PolarHBondContact O-N 2.97Å; V134-G137 VanDerWaalsContact O-N 3.1Å; G137-M139 PolarHBondContact O-N 3.19Å; G137-M139 VanDerWaalsContact O-N 3.14Å |
| 138 | D | 93 | Very high | 93.9 | Very high | 68 Ų | 68 | 37.7 Ų | 37.7 | 36% | 0.364 | 23% | 0.233 | S | C | . | . | trans | -85.5 | 80.3 | 175 | -176.5 | 4.8 | 0 | 0 | 0 | 110.5 | L133 G141 A142 | L133-D138 HydrophobicContact CB-CB 4.44Å; L133-D138 HydrophobicContact CD2-CB 3.99Å; L133-D138 PolarHBondContact O-N 2.81Å; D138-G141 PolarHBondContact OD1-N 3.28Å; D138-A142 WeakPolarHBondContact O-CB 3.27Å; D138-A142 PolarHBondContact O-N 3.41Å; D138-A142 VanDerWaalsContact O-N 3.08Å | ||
| 139 | M | 92 | Very high | 93.9 | Very high | 73 Ų | 73 | 36 Ų | 36 | 36% | 0.36 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -67.7 | -38.6 | -174 | -57.6 | -58.4 | -179.3 | 0 | 0 | 112.9 | G137 A142 V143 L166 L170 | G137-M139 PolarHBondContact O-N 3.19Å; G137-M139 VanDerWaalsContact O-N 3.14Å; M139-A142 PolarHBondContact O-N 2.79Å; M139-V143 WeakPolarHBondContact O-CG2 3.47Å; M139-V143 PolarHBondContact O-N 2.86Å; M139-L166 HydrophobicContact CB-CD1 4.2Å; M139-L166 HydrophobicContact CG-CD1 4.4Å; M139-L166 HydrophobicContact SD-CD1 3.6Å; M139-L166 VanDerWaalsContact SD-CD1 3.6Å; M139-L170 HydrophobicContact CB-CD1 4.23Å; M139-L170 HydrophobicContact CB-CD2 3.86Å; M139-L170 HydrophobicContact CB-CG 4.39Å; M139-L170 HydrophobicContact CG-CD2 4.31Å |
| 140 | E | 92.9 | Very high | 93.8 | Very high | 85 Ų | 85 | 35.9 Ų | 35.9 | 40% | 0.397 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -73.9 | -37.2 | 179.2 | -77.3 | -65.6 | 163.9 | 0 | 0 | 111.8 | A142 V143 Q144 R172 | E140-A142 VanDerWaalsContact C-N 3.28Å; E140-A142 PolarHBondContact O-N 3.05Å; E140-V143 PolarHBondContact O-N 3.44Å; E140-Q144 WeakPolarHBondContact O-CG 3.39Å; E140-Q144 PolarHBondContact O-N 2.76Å; E140-R172 IonicContact OE1-NH1 3.88Å; E140-R172 PolarHBondContact OE1-NH1 2.92Å; E140-R172 IonicContact OE2-NH1 2.77Å; E140-R172 PolarHBondContact OE2-NH1 2.77Å |
| 141 | G | 94 | Very high | 93.7 | Very high | 13 Ų | 13 | 42.5 Ų | 42.5 | 13% | 0.134 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -59.3 | -40.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | L133 D138 Q144 A145 | L133-G141 VanDerWaalsContact CD1-C 3.45Å; L133-G141 WeakPolarHBondContact CD1-O 3.43Å; D138-G141 PolarHBondContact OD1-N 3.28Å; G141-Q144 PolarHBondContact O-N 3.41Å; G141-A145 PolarHBondContact O-N 2.96Å |
| 142 | A | 95.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.2 | -40.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L133 V134 D138 M139 E140 Q144 A145 Y146 L166 | L133-A142 HydrophobicContact CB-CB 3.85Å; V134-A142 HydrophobicContact CG2-CB 3.55Å; D138-A142 WeakPolarHBondContact O-CB 3.27Å; D138-A142 PolarHBondContact O-N 3.41Å; D138-A142 VanDerWaalsContact O-N 3.08Å; M139-A142 PolarHBondContact O-N 2.79Å; E140-A142 VanDerWaalsContact C-N 3.28Å; E140-A142 PolarHBondContact O-N 3.05Å; A142-Q144 VanDerWaalsContact C-N 3.34Å; A142-Q144 PolarHBondContact O-N 3.27Å; A142-A145 PolarHBondContact O-N 3.13Å; A142-Y146 WeakPolarHBondContact O-CD2 3.47Å; A142-Y146 PolarHBondContact O-N 3.38Å; A142-L166 HydrophobicContact CB-CD2 3.68Å |
| 143 | V | 95.7 | Very high | 93.6 | Very high | 12 Ų | 12 | 48.4 Ų | 48.4 | 7% | 0.073 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.2 | -49.1 | 172.6 | 166.1 | 0 | 0 | 0 | 0 | 110.4 | M139 E140 A145 Y146 V147 L163 L166 L167 L170 | M139-V143 WeakPolarHBondContact O-CG2 3.47Å; M139-V143 PolarHBondContact O-N 2.86Å; E140-V143 PolarHBondContact O-N 3.44Å; V143-A145 PolarHBondContact O-N 3.45Å; V143-Y146 PolarHBondContact O-N 2.91Å; V143-V147 HydrophobicContact CG1-CG2 4.36Å; V143-V147 VanDerWaalsContact O-CG2 3.29Å; V143-V147 WeakPolarHBondContact O-CG2 3.41Å; V143-V147 PolarHBondContact O-N 3.25Å; V143-L163 HydrophobicContact CB-CD1 4.24Å; V143-L163 HydrophobicContact CG1-CD1 4Å; V143-L163 HydrophobicContact CG2-CD1 4.1Å; V143-L166 HydrophobicContact CG2-CD2 3.62Å; V143-L166 HydrophobicContact CG2-CG 3.99Å; V143-L167 HydrophobicContact CG1-CD2 4.42Å; V143-L167 HydrophobicContact CG2-CD2 4.12Å; V143-L170 HydrophobicContact CG2-CD1 4.11Å |
| 144 | Q | 95.4 | Very high | 93.4 | Very high | 129 Ų | 129 | 51.3 Ų | 51.3 | 60% | 0.603 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -60.9 | -43.9 | 179 | -69.4 | 178.3 | 8.5 | 0 | 0 | 112 | E140 G141 A142 Y146 V147 S148 | E140-Q144 WeakPolarHBondContact O-CG 3.39Å; E140-Q144 PolarHBondContact O-N 2.76Å; G141-Q144 PolarHBondContact O-N 3.41Å; A142-Q144 VanDerWaalsContact C-N 3.34Å; A142-Q144 PolarHBondContact O-N 3.27Å; Q144-Y146 PolarHBondContact O-N 3.41Å; Q144-V147 PolarHBondContact O-N 2.74Å; Q144-S148 PolarHBondContact O-N 3.45Å; Q144-S148 PolarHBondContact O-OG 2.57Å |
| 145 | A | 95.2 | Very high | 93.3 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 4% | 0.041 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.3 | -44.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | Y126 L129 A130 L133 G141 A142 V143 S148 A149 | Y126-A145 WeakPolarHBondContact CB-O 3.41Å; L129-A145 HydrophobicContact CD2-CB 4.2Å; L129-A145 HydrophobicContact CG-CB 4.19Å; A130-A145 HydrophobicContact CB-CB 3.77Å; L133-A145 HydrophobicContact CD1-CB 4.33Å; G141-A145 PolarHBondContact O-N 2.96Å; A142-A145 PolarHBondContact O-N 3.13Å; V143-A145 PolarHBondContact O-N 3.45Å; A145-S148 PolarHBondContact O-N 2.76Å; A145-A149 PolarHBondContact O-N 2.85Å |
| 146 | Y | 96.3 | Very high | 93.4 | Very high | 21 Ų | 21 | 53 Ų | 53 | 8% | 0.082 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 174.7 | -76.6 | -46.9 | 0 | 0 | 0 | 113.1 | A130 A142 V143 Q144 S148 A149 L150 V159 D162 L163 L166 | A130-Y146 HydrophobicContact CB-CD1 3.57Å; A130-Y146 HydrophobicContact CB-CD2 3.84Å; A130-Y146 HydrophobicContact CB-CE1 3.48Å; A130-Y146 VanDerWaalsContact CB-CE1 3.48Å; A130-Y146 HydrophobicContact CB-CE2 3.72Å; A130-Y146 HydrophobicContact CB-CG 3.77Å; A142-Y146 WeakPolarHBondContact O-CD2 3.47Å; A142-Y146 PolarHBondContact O-N 3.38Å; V143-Y146 PolarHBondContact O-N 2.91Å; Q144-Y146 PolarHBondContact O-N 3.41Å; Y146-S148 VanDerWaalsContact C-N 3.32Å; Y146-S148 PolarHBondContact O-N 3.1Å; Y146-A149 WeakPolarHBondContact O-CB 3.35Å; Y146-A149 PolarHBondContact O-N 3.46Å; Y146-L150 WeakPolarHBondContact O-CG 3.32Å; Y146-L150 PolarHBondContact O-N 3.47Å; Y146-V159 HydrophobicContact CD1-CG1 3.45Å; Y146-V159 VanDerWaalsContact CD1-CG1 3.45Å; Y146-V159 HydrophobicContact CE1-CG1 4Å; Y146-V159 HydrophobicContact CG-CG1 4.3Å; Y146-D162 HydrophobicContact CE1-CB 4.49Å; Y146-D162 HydrophobicContact CE2-CB 4.44Å; Y146-L163 HydrophobicContact CD2-CB 4.37Å; Y146-L163 HydrophobicContact CG-CB 4.4Å; Y146-L166 HydrophobicContact CD2-CD2 4.25Å; Y146-L166 HydrophobicContact CE2-CD2 4.32Å |
| 147 | V | 95.3 | Very high | 93.5 | Very high | 57 Ų | 57 | 54.3 Ų | 54.3 | 35% | 0.345 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 175.7 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | V143 Q144 L150 Q151 L163 | V143-V147 HydrophobicContact CG1-CG2 4.36Å; V143-V147 VanDerWaalsContact O-CG2 3.29Å; V143-V147 WeakPolarHBondContact O-CG2 3.41Å; V143-V147 PolarHBondContact O-N 3.25Å; Q144-V147 PolarHBondContact O-N 2.74Å; V147-L150 PolarHBondContact O-N 3.27Å; V147-Q151 WeakPolarHBondContact O-CG 3.36Å; V147-Q151 PolarHBondContact O-N 3.11Å; V147-L163 HydrophobicContact CG2-CD2 3.91Å |
| 148 | S | 95 | Very high | 93.6 | Very high | 30 Ų | 30 | 54.8 Ų | 54.8 | 21% | 0.21 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 175 | -66.6 | 0 | 0 | 0 | 0 | 112.3 | Y126 Q144 A145 Y146 L150 Q151 Y152 | Y126-S148 VanDerWaalsContact CE1-CB 3.45Å; Q144-S148 PolarHBondContact O-N 3.45Å; Q144-S148 PolarHBondContact O-OG 2.57Å; A145-S148 PolarHBondContact O-N 2.76Å; Y146-S148 VanDerWaalsContact C-N 3.32Å; Y146-S148 PolarHBondContact O-N 3.1Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.15Å; S148-Q151 WeakPolarHBondContact O-CB 3.44Å; S148-Q151 PolarHBondContact O-N 2.83Å; S148-Y152 VanDerWaalsContact O-CD2 3.25Å; S148-Y152 WeakPolarHBondContact O-CD2 3.46Å; S148-Y152 PolarHBondContact O-N 3.48Å |
| 149 | A | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.2 | -43.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | I127 A145 Y146 Q151 Y152 N153 V159 | I127-A149 HydrophobicContact CG1-CB 4.19Å; A145-A149 PolarHBondContact O-N 2.85Å; Y146-A149 WeakPolarHBondContact O-CB 3.35Å; Y146-A149 PolarHBondContact O-N 3.46Å; A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-Q151 PolarHBondContact O-N 3.24Å; A149-Y152 PolarHBondContact O-N 2.92Å; A149-N153 PolarHBondContact O-N 3.42Å; A149-N153 VanDerWaalsContact O-N 3.08Å; A149-V159 HydrophobicContact CB-CG1 4.38Å |
| 150 | L | 93.7 | Very high | 93.8 | Very high | 10 Ų | 10 | 50.5 Ų | 50.5 | 5% | 0.052 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.3 | -19.6 | -180 | -66.8 | 170.9 | 0 | 0 | 0 | 114 | Y146 V147 S148 N153 P154 L156 V159 R160 L163 | Y146-L150 WeakPolarHBondContact O-CG 3.32Å; Y146-L150 PolarHBondContact O-N 3.47Å; V147-L150 PolarHBondContact O-N 3.27Å; S148-L150 VanDerWaalsContact C-N 3.29Å; S148-L150 PolarHBondContact O-N 3.15Å; L150-N153 CarbonylContact O-C 3.58Å; L150-P154 WeakPolarHBondContact O-CA 3.32Å; L150-L156 HydrophobicContact CD2-CB 3.99Å; L150-V159 HydrophobicContact CD2-CB 4.26Å; L150-V159 HydrophobicContact CD2-CG1 4.26Å; L150-V159 HydrophobicContact CG-CG1 4.24Å; L150-R160 HydrophobicContact CD1-CB 3.91Å; L150-R160 HydrophobicContact CD1-CG 4.19Å; L150-R160 HydrophobicContact CD2-CB 4.01Å; L150-L163 HydrophobicContact CD1-CD2 3.84Å |
| 151 | Q | 94.2 | Very high | 93.8 | Very high | 138 Ų | 138 | 46.5 Ų | 46.5 | 65% | 0.645 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -69.8 | -38 | 171.1 | -76.7 | 173.3 | -9.8 | 0 | 0 | 111.5 | V147 S148 A149 | V147-Q151 WeakPolarHBondContact O-CG 3.36Å; V147-Q151 PolarHBondContact O-N 3.11Å; S148-Q151 WeakPolarHBondContact O-CB 3.44Å; S148-Q151 PolarHBondContact O-N 2.83Å; A149-Q151 VanDerWaalsContact C-N 3.34Å; A149-Q151 PolarHBondContact O-N 3.24Å |
| 152 | Y | 92.1 | Very high | 93.8 | Very high | 109 Ų | 109 | 49.3 Ų | 49.3 | 43% | 0.427 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -79.2 | -37.8 | 177.5 | -72.4 | -73.4 | 0 | 0 | 0 | 112.9 | P120 D121 Y126 S148 A149 | P120-Y152 WeakPolarHBondContact O-CE2 3.39Å; P120-Y152 PolarHBondContact O-OH 2.88Å; P120-Y152 VanDerWaalsContact O-OH 3.12Å; D121-Y152 HydrophobicContact CB-CD1 3.78Å; D121-Y152 HydrophobicContact CB-CE1 3.68Å; Y126-Y152 HydrophobicContact CD2-CD2 4.38Å; Y126-Y152 AromaticContact CE2-CD2 3.79Å; Y126-Y152 HydrophobicContact CE2-CD2 3.79Å; Y126-Y152 AromaticContact CE2-CE2 3.58Å; Y126-Y152 HydrophobicContact CE2-CE2 3.58Å; S148-Y152 VanDerWaalsContact O-CD2 3.25Å; S148-Y152 WeakPolarHBondContact O-CD2 3.46Å; S148-Y152 PolarHBondContact O-N 3.48Å; A149-Y152 PolarHBondContact O-N 2.92Å |
| 153 | N | 91.5 | Very high | 93.8 | Very high | 51 Ų | 51 | 49.6 Ų | 49.6 | 27% | 0.273 | 25% | 0.253 | S | S | . | . | trans | -136.1 | 98.7 | 172.4 | -175.2 | -6.1 | 0 | 0 | 0 | 111.2 | I123 A149 L150 D155 L156 | I123-N153 HydrophobicContact CD1-CB 3.57Å; A149-N153 PolarHBondContact O-N 3.42Å; A149-N153 VanDerWaalsContact O-N 3.08Å; L150-N153 CarbonylContact O-C 3.58Å; N153-D155 PolarHBondContact O-N 3.21Å; N153-D155 PolarHBondContact OD1-N 3.42Å; N153-L156 HydrophobicContact CB-CD1 3.88Å; N153-L156 HydrophobicContact CB-CG 3.96Å | ||
| 154 | P | 91.1 | Very high | 93.8 | Very high | 67 Ų | 67 | 49 Ų | 49 | 44% | 0.435 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -17 | 178.8 | -23.5 | 34.6 | 0 | 0 | 0 | 114.8 | L150 L156 R160 | L150-P154 WeakPolarHBondContact O-CA 3.32Å; P154-L156 VanDerWaalsContact C-N 3.34Å; P154-L156 PolarHBondContact O-N 2.99Å; P154-R160 PolarHBondContact O-NH1 3.05Å |
| 155 | D | 91.1 | Very high | 93.7 | Very high | 108 Ų | 108 | 45.2 Ų | 45.2 | 58% | 0.578 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 4 | -172.4 | -62.1 | -33.9 | 0 | 0 | 0 | 113.7 | N153 Y157 T186 | N153-D155 PolarHBondContact O-N 3.21Å; N153-D155 PolarHBondContact OD1-N 3.42Å; D155-Y157 VanDerWaalsContact C-N 3.25Å; D155-Y157 PolarHBondContact O-N 2.99Å; D155-T186 HydrophobicContact CB-CG2 4.14Å; D155-T186 WeakPolarHBondContact O-CG2 3.23Å |
| 156 | L | 92.8 | Very high | 93.6 | Very high | 44 Ų | 44 | 45.7 Ų | 45.7 | 23% | 0.23 | 24% | 0.235 | C | C | . | . | trans | -75.8 | 71.9 | 177.2 | -60.6 | 171.9 | 0 | 0 | 0 | 111.7 | I123 I127 L150 N153 P154 C158 V159 R160 | I123-L156 HydrophobicContact CG2-CD1 3.51Å; I127-L156 HydrophobicContact CD1-CD1 4.44Å; L150-L156 HydrophobicContact CD2-CB 3.99Å; N153-L156 HydrophobicContact CB-CD1 3.88Å; N153-L156 HydrophobicContact CB-CG 3.96Å; P154-L156 VanDerWaalsContact C-N 3.34Å; P154-L156 PolarHBondContact O-N 2.99Å; L156-C158 VanDerWaalsContact C-N 3.3Å; L156-C158 PolarHBondContact O-N 2.8Å; L156-V159 HydrophobicContact CB-CB 3.93Å; L156-V159 HydrophobicContact CB-CG2 3.88Å; L156-V159 HydrophobicContact CD1-CG2 4.28Å; L156-V159 WeakPolarHBondContact O-CB 3.33Å; L156-V159 PolarHBondContact O-N 3.24Å; L156-V159 VanDerWaalsContact O-N 3.12Å; L156-R160 PolarHBondContact O-N 3.26Å | ||
| 157 | Y | 92.9 | Very high | 93.5 | Very high | 72 Ų | 72 | 45 Ų | 45 | 28% | 0.282 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -58.3 | -35 | -175.8 | 68.3 | -90 | 0 | 0 | 0 | 113.8 | D155 R160 S161 T186 Q187 F190 | D155-Y157 VanDerWaalsContact C-N 3.25Å; D155-Y157 PolarHBondContact O-N 2.99Å; Y157-R160 PolarHBondContact O-N 3.07Å; Y157-S161 PolarHBondContact O-N 2.78Å; Y157-T186 HydrophobicContact CD1-CG2 4.42Å; Y157-Q187 HydrophobicContact CD1-CB 3.75Å; Y157-Q187 HydrophobicContact CD1-CG 4.32Å; Y157-Q187 HydrophobicContact CD2-CB 3.87Å; Y157-Q187 HydrophobicContact CD2-CG 4.34Å; Y157-Q187 HydrophobicContact CE1-CB 4.01Å; Y157-Q187 HydrophobicContact CE1-CG 4.07Å; Y157-Q187 HydrophobicContact CE2-CB 4.13Å; Y157-Q187 HydrophobicContact CE2-CG 4.08Å; Y157-Q187 HydrophobicContact CG-CB 3.68Å; Y157-Q187 HydrophobicContact CG-CG 4.46Å; Y157-F190 HydrophobicContact CD2-CB 4.22Å; Y157-F190 AromaticContact CD2-CD1 3.73Å; Y157-F190 HydrophobicContact CD2-CD1 3.73Å; Y157-F190 HydrophobicContact CD2-CD2 4.18Å; Y157-F190 HydrophobicContact CD2-CE1 4.1Å; Y157-F190 AromaticContact CD2-CG 3.79Å; Y157-F190 HydrophobicContact CD2-CG 3.79Å; Y157-F190 HydrophobicContact CD2-CZ 4.47Å; Y157-F190 HydrophobicContact CE2-CB 4.24Å; Y157-F190 HydrophobicContact CE2-CD1 4.18Å; Y157-F190 AromaticContact CE2-CD2 3.77Å; Y157-F190 HydrophobicContact CE2-CD2 3.77Å; Y157-F190 HydrophobicContact CE2-CE2 4.12Å; Y157-F190 AromaticContact CE2-CG 3.8Å; Y157-F190 HydrophobicContact CE2-CG 3.8Å; Y157-F190 HydrophobicContact CE2-CZ 4.47Å |
| 158 | C | 91.8 | Very high | 93.3 | Very high | 59 Ų | 59 | 45.3 Ų | 45.3 | 40% | 0.399 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -61.6 | -48.8 | 174.4 | -63 | 0 | 0 | 0 | 0 | 111.4 | L156 R160 S161 D162 | L156-C158 VanDerWaalsContact C-N 3.3Å; L156-C158 PolarHBondContact O-N 2.8Å; C158-R160 VanDerWaalsContact C-N 3.29Å; C158-R160 PolarHBondContact O-N 3.23Å; C158-S161 WeakPolarHBondContact O-CB 3.34Å; C158-S161 PolarHBondContact O-N 3.17Å; C158-S161 VanDerWaalsContact O-N 3.11Å; C158-D162 PolarHBondContact O-N 3.29Å |
| 159 | V | 93.6 | Very high | 93 | Very high | 11 Ų | 11 | 48 Ų | 48 | 7% | 0.067 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -61.7 | -40.2 | 178.2 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | I127 Y146 A149 L150 L156 S161 D162 L163 | I127-V159 HydrophobicContact CD1-CG2 3.61Å; I127-V159 HydrophobicContact CG1-CG1 4.43Å; I127-V159 HydrophobicContact CG1-CG2 3.92Å; Y146-V159 HydrophobicContact CD1-CG1 3.45Å; Y146-V159 VanDerWaalsContact CD1-CG1 3.45Å; Y146-V159 HydrophobicContact CE1-CG1 4Å; Y146-V159 HydrophobicContact CG-CG1 4.3Å; A149-V159 HydrophobicContact CB-CG1 4.38Å; L150-V159 HydrophobicContact CD2-CB 4.26Å; L150-V159 HydrophobicContact CD2-CG1 4.26Å; L150-V159 HydrophobicContact CG-CG1 4.24Å; L156-V159 HydrophobicContact CB-CB 3.93Å; L156-V159 HydrophobicContact CB-CG2 3.88Å; L156-V159 HydrophobicContact CD1-CG2 4.28Å; L156-V159 WeakPolarHBondContact O-CB 3.33Å; L156-V159 PolarHBondContact O-N 3.24Å; L156-V159 VanDerWaalsContact O-N 3.12Å; V159-S161 VanDerWaalsContact C-N 3.34Å; V159-D162 PolarHBondContact O-N 2.96Å; V159-L163 PolarHBondContact O-N 2.85Å |
| 160 | R | 95.6 | Very high | 92.8 | Very high | 40 Ų | 40 | 51.3 Ų | 51.3 | 15% | 0.151 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66 | -36.3 | 175.9 | -174.6 | 171.3 | -97.1 | 105.4 | 1.5 | 112.6 | L150 P154 L156 Y157 C158 G164 C179 A183 | L150-R160 HydrophobicContact CD1-CB 3.91Å; L150-R160 HydrophobicContact CD1-CG 4.19Å; L150-R160 HydrophobicContact CD2-CB 4.01Å; P154-R160 PolarHBondContact O-NH1 3.05Å; L156-R160 PolarHBondContact O-N 3.26Å; Y157-R160 PolarHBondContact O-N 3.07Å; C158-R160 VanDerWaalsContact C-N 3.29Å; C158-R160 PolarHBondContact O-N 3.23Å; R160-G164 PolarHBondContact O-N 3.07Å; R160-C179 WeakPolarHBondContact CD-O 3.48Å; R160-C179 HydrophobicContact CG-CB 4.05Å; R160-C179 WeakPolarHBondContact CG-O 3.48Å; R160-A183 HydrophobicContact CB-CB 4.43Å; R160-A183 HydrophobicContact CG-CB 4.41Å |
| 161 | S | 93.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.007 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -68 | -39 | 172.9 | -177.4 | 0 | 0 | 0 | 0 | 112.4 | Y157 C158 V159 L163 G164 N165 | Y157-S161 PolarHBondContact O-N 2.78Å; C158-S161 WeakPolarHBondContact O-CB 3.34Å; C158-S161 PolarHBondContact O-N 3.17Å; C158-S161 VanDerWaalsContact O-N 3.11Å; V159-S161 VanDerWaalsContact C-N 3.34Å; S161-L163 VanDerWaalsContact C-N 3.35Å; S161-G164 CarbonylContact O-C 3.13Å; S161-G164 WeakPolarHBondContact O-CA 3.49Å; S161-G164 PolarHBondContact O-N 3.4Å; S161-G164 VanDerWaalsContact O-N 3.15Å; S161-N165 PolarHBondContact O-N 3Å; S161-N165 PolarHBondContact O-ND2 2.9Å |
| 162 | D | 93.2 | Very high | 92.4 | Very high | 71 Ų | 71 | 50.4 Ų | 50.4 | 38% | 0.38 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 175.5 | -68.4 | -23.7 | 0 | 0 | 0 | 111.7 | Y146 C158 V159 G164 N165 L166 | Y146-D162 HydrophobicContact CE1-CB 4.49Å; Y146-D162 HydrophobicContact CE2-CB 4.44Å; C158-D162 PolarHBondContact O-N 3.29Å; V159-D162 PolarHBondContact O-N 2.96Å; D162-G164 VanDerWaalsContact C-N 3.33Å; D162-G164 PolarHBondContact O-N 2.79Å; D162-N165 WeakPolarHBondContact O-CB 3.48Å; D162-N165 PolarHBondContact O-N 3.15Å; D162-L166 PolarHBondContact O-N 2.68Å |
| 163 | L | 96 | Very high | 92.4 | Very high | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -44.4 | 169.3 | 175 | 60.1 | 0 | 0 | 0 | 111.4 | V143 Y146 V147 L150 V159 S161 N165 L166 L167 | V143-L163 HydrophobicContact CB-CD1 4.24Å; V143-L163 HydrophobicContact CG1-CD1 4Å; V143-L163 HydrophobicContact CG2-CD1 4.1Å; Y146-L163 HydrophobicContact CD2-CB 4.37Å; Y146-L163 HydrophobicContact CG-CB 4.4Å; V147-L163 HydrophobicContact CG2-CD2 3.91Å; L150-L163 HydrophobicContact CD1-CD2 3.84Å; V159-L163 PolarHBondContact O-N 2.85Å; S161-L163 VanDerWaalsContact C-N 3.35Å; L163-N165 VanDerWaalsContact C-N 3.32Å; L163-N165 PolarHBondContact O-N 3.4Å; L163-L166 PolarHBondContact O-N 3.25Å; L163-L167 HydrophobicContact CD1-CD1 3.94Å; L163-L167 HydrophobicContact CD1-CG 4.08Å; L163-L167 HydrophobicContact CG-CD1 3.87Å; L163-L167 HydrophobicContact CG-CG 4.45Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 VanDerWaalsContact O-CG 3.31Å; L163-L167 WeakPolarHBondContact O-CG 3.17Å; L163-L167 PolarHBondContact O-N 3.29Å |
| 164 | G | 94.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | R160 S161 D162 L167 K168 A176 Y180 | R160-G164 PolarHBondContact O-N 3.07Å; S161-G164 CarbonylContact O-C 3.13Å; S161-G164 WeakPolarHBondContact O-CA 3.49Å; S161-G164 PolarHBondContact O-N 3.4Å; S161-G164 VanDerWaalsContact O-N 3.15Å; D162-G164 VanDerWaalsContact C-N 3.33Å; D162-G164 PolarHBondContact O-N 2.79Å; G164-L167 PolarHBondContact O-N 3.1Å; G164-K168 WeakPolarHBondContact O-CB 3.4Å; G164-K168 PolarHBondContact O-N 3.26Å; G164-A176 WeakPolarHBondContact O-CB 3.4Å; G164-Y180 VanDerWaalsContact C-CZ 3.41Å; G164-Y180 PolarHBondContact O-OH 2.9Å |
| 165 | N | 93 | Very high | 92.6 | Very high | 48 Ų | 48 | 51.5 Ų | 51.5 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 176.9 | -73.2 | -31.2 | 0 | 0 | 0 | 111.2 | S161 D162 L163 K168 A169 Y180 N196 | S161-N165 PolarHBondContact O-N 3Å; S161-N165 PolarHBondContact O-ND2 2.9Å; D162-N165 WeakPolarHBondContact O-CB 3.48Å; D162-N165 PolarHBondContact O-N 3.15Å; L163-N165 VanDerWaalsContact C-N 3.32Å; L163-N165 PolarHBondContact O-N 3.4Å; N165-K168 PolarHBondContact O-N 3.32Å; N165-A169 PolarHBondContact O-N 3.28Å; N165-Y180 VanDerWaalsContact CA-OH 3.24Å; N165-Y180 WeakPolarHBondContact CA-OH 3.28Å; N165-Y180 PolarHBondContact N-OH 3.42Å; N165-Y180 VanDerWaalsContact N-OH 3.08Å; N165-Y180 PolarHBondContact OD1-OH 2.75Å; N165-N196 VanDerWaalsContact OD1-CG 3.3Å; N165-N196 PolarHBondContact OD1-ND2 2.87Å; N165-N196 PolarHBondContact OD1-OD1 2.8Å |
| 166 | L | 93.6 | Very high | 92.8 | Very high | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.084 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 177.7 | -177.3 | 59.6 | 0 | 0 | 0 | 111.9 | V134 M139 A142 V143 Y146 D162 L163 K168 A169 L170 | V134-L166 HydrophobicContact CG2-CD1 4.3Å; V134-L166 HydrophobicContact CG2-CD2 4.23Å; M139-L166 HydrophobicContact CB-CD1 4.2Å; M139-L166 HydrophobicContact CG-CD1 4.4Å; M139-L166 HydrophobicContact SD-CD1 3.6Å; M139-L166 VanDerWaalsContact SD-CD1 3.6Å; A142-L166 HydrophobicContact CB-CD2 3.68Å; V143-L166 HydrophobicContact CG2-CD2 3.62Å; V143-L166 HydrophobicContact CG2-CG 3.99Å; Y146-L166 HydrophobicContact CD2-CD2 4.25Å; Y146-L166 HydrophobicContact CE2-CD2 4.32Å; D162-L166 PolarHBondContact O-N 2.68Å; L163-L166 PolarHBondContact O-N 3.25Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 3.35Å; L166-A169 WeakPolarHBondContact O-CB 3.31Å; L166-A169 PolarHBondContact O-N 2.95Å; L166-L170 WeakPolarHBondContact O-CG 3.22Å; L166-L170 PolarHBondContact O-N 2.87Å |
| 167 | L | 94.3 | Very high | 92.8 | Very high | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 176.9 | -71.6 | 166.8 | 0 | 0 | 0 | 112.3 | V143 L163 G164 L170 G171 R172 E175 A176 | V143-L167 HydrophobicContact CG1-CD2 4.42Å; V143-L167 HydrophobicContact CG2-CD2 4.12Å; L163-L167 HydrophobicContact CD1-CD1 3.94Å; L163-L167 HydrophobicContact CD1-CG 4.08Å; L163-L167 HydrophobicContact CG-CD1 3.87Å; L163-L167 HydrophobicContact CG-CG 4.45Å; L163-L167 WeakPolarHBondContact O-CB 3.33Å; L163-L167 VanDerWaalsContact O-CG 3.31Å; L163-L167 WeakPolarHBondContact O-CG 3.17Å; L163-L167 PolarHBondContact O-N 3.29Å; G164-L167 PolarHBondContact O-N 3.1Å; L167-L170 CarbonylContact O-C 3.2Å; L167-L170 PolarHBondContact O-N 3.11Å; L167-G171 PolarHBondContact O-N 3.34Å; L167-R172 HydrophobicContact CB-CB 4.39Å; L167-R172 HydrophobicContact CD2-CB 4.2Å; L167-R172 PolarHBondContact O-N 3.18Å; L167-E175 HydrophobicContact CD1-CB 3.91Å; L167-E175 HydrophobicContact CD2-CB 4.41Å; L167-A176 HydrophobicContact CB-CB 3.94Å |
| 168 | K | 91.2 | Very high | 92.9 | Very high | 64 Ų | 64 | 45.7 Ų | 45.7 | 28% | 0.278 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 173.6 | -174.5 | -178.3 | 72.2 | -172.8 | 0 | 110.9 | G164 N165 L166 L170 G171 L173 A176 N196 V200 | G164-K168 WeakPolarHBondContact O-CB 3.4Å; G164-K168 PolarHBondContact O-N 3.26Å; N165-K168 PolarHBondContact O-N 3.32Å; L166-K168 VanDerWaalsContact C-N 3.33Å; L166-K168 PolarHBondContact O-N 3.35Å; K168-L170 PolarHBondContact O-N 2.97Å; K168-G171 PolarHBondContact O-N 2.92Å; K168-L173 HydrophobicContact CG-CD2 4.24Å; K168-A176 HydrophobicContact CB-CB 4.05Å; K168-N196 PolarHBondContact NZ-OD1 3.21Å; K168-V200 HydrophobicContact CD-CG2 4.19Å; K168-V200 HydrophobicContact CG-CG2 4.48Å |
| 169 | A | 88.8 | Confident | 93.1 | Very high | 87 Ų | 87 | 43.5 Ų | 43.5 | 72% | 0.719 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63.7 | -28.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N165 L166 G171 | N165-A169 PolarHBondContact O-N 3.28Å; L166-A169 WeakPolarHBondContact O-CB 3.31Å; L166-A169 PolarHBondContact O-N 2.95Å; A169-G171 VanDerWaalsContact C-N 3.29Å |
| 170 | L | 90.3 | Very high | 93.2 | Very high | 69 Ų | 69 | 43 Ų | 43 | 36% | 0.361 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | -0.5 | 172.7 | -68.6 | 172.7 | 0 | 0 | 0 | 114.1 | M139 V143 L166 L167 K168 R172 | M139-L170 HydrophobicContact CB-CD1 4.23Å; M139-L170 HydrophobicContact CB-CD2 3.86Å; M139-L170 HydrophobicContact CB-CG 4.39Å; M139-L170 HydrophobicContact CG-CD2 4.31Å; V143-L170 HydrophobicContact CG2-CD1 4.11Å; L166-L170 WeakPolarHBondContact O-CG 3.22Å; L166-L170 PolarHBondContact O-N 2.87Å; L167-L170 CarbonylContact O-C 3.2Å; L167-L170 PolarHBondContact O-N 3.11Å; K168-L170 PolarHBondContact O-N 2.97Å; L170-R172 VanDerWaalsContact C-N 3.25Å; L170-R172 HydrophobicContact CB-CG 4.4Å; L170-R172 PolarHBondContact O-N 3.42Å |
| 171 | G | 87.9 | Confident | 93.2 | Very high | 55 Ų | 55 | 45 Ų | 45 | 57% | 0.567 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.8 | 6.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | L167 K168 A169 L173 | L167-G171 PolarHBondContact O-N 3.34Å; K168-G171 PolarHBondContact O-N 2.92Å; A169-G171 VanDerWaalsContact C-N 3.29Å; G171-L173 PolarHBondContact O-N 2.93Å |
| 172 | R | 92.6 | Very high | 93.2 | Very high | 75 Ų | 75 | 48.7 Ų | 48.7 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | trans | -82.7 | 63.9 | 178.8 | -65.8 | 168.8 | 67.2 | 177 | -3.1 | 110.5 | E140 L167 L170 E174 E175 A176 | E140-R172 IonicContact OE1-NH1 3.88Å; E140-R172 PolarHBondContact OE1-NH1 2.92Å; E140-R172 IonicContact OE2-NH1 2.77Å; E140-R172 PolarHBondContact OE2-NH1 2.77Å; L167-R172 HydrophobicContact CB-CB 4.39Å; L167-R172 HydrophobicContact CD2-CB 4.2Å; L167-R172 PolarHBondContact O-N 3.18Å; L170-R172 VanDerWaalsContact C-N 3.25Å; L170-R172 HydrophobicContact CB-CG 4.4Å; L170-R172 PolarHBondContact O-N 3.42Å; R172-E174 PolarHBondContact O-N 2.88Å; R172-E175 HydrophobicContact CB-CB 4.49Å; R172-E175 IonicContact CZ-OE1 2.88Å; R172-E175 IonicContact CZ-OE2 3.95Å; R172-E175 IonicContact NE-OE1 2.79Å; R172-E175 PolarHBondContact NE-OE1 2.95Å; R172-E175 IonicContact NE-OE2 3.8Å; R172-E175 IonicContact NH2-OE1 2.85Å; R172-E175 PolarHBondContact NH2-OE1 3.25Å; R172-E175 IonicContact NH2-OE2 3.65Å; R172-E175 PolarHBondContact NH2-OE2 3.4Å; R172-E175 PolarHBondContact O-N 3.1Å; R172-A176 PolarHBondContact O-N 3.41Å | ||
| 173 | L | 91 | Very high | 93.3 | Very high | 48 Ų | 48 | 45.3 Ų | 45.3 | 25% | 0.251 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.4 | -39.8 | -168.2 | -64.4 | -178.2 | 0 | 0 | 0 | 114.3 | K168 G171 A176 K177 V200 A203 Q204 | K168-L173 HydrophobicContact CG-CD2 4.24Å; G171-L173 PolarHBondContact O-N 2.93Å; L173-A176 PolarHBondContact O-N 3.27Å; L173-K177 WeakPolarHBondContact O-CB 3.4Å; L173-K177 PolarHBondContact O-N 3.37Å; L173-V200 HydrophobicContact CB-CG1 4.24Å; L173-A203 HydrophobicContact CD1-CB 4.22Å; L173-Q204 HydrophobicContact CD1-CG 4.38Å |
| 174 | E | 92.2 | Very high | 93.2 | Very high | 113 Ų | 113 | 45.8 Ų | 45.8 | 53% | 0.528 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.4 | -36.6 | 179.2 | -74 | -57.4 | 141.2 | 0 | 0 | 112.7 | R172 K177 A178 Q204 | R172-E174 PolarHBondContact O-N 2.88Å; E174-K177 WeakPolarHBondContact O-CB 3.41Å; E174-K177 PolarHBondContact O-N 3.16Å; E174-K177 IonicContact OE2-NZ 3.71Å; E174-A178 PolarHBondContact O-N 2.68Å; E174-Q204 PolarHBondContact OE1-NE2 2.89Å |
| 175 | E | 94 | Very high | 93.2 | Very high | 88 Ų | 88 | 52 Ų | 52 | 41% | 0.411 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -74.5 | -37.6 | 177.2 | -63.9 | -179.7 | -98.1 | 0 | 0 | 111.4 | L167 R172 K177 A178 C179 | L167-E175 HydrophobicContact CD1-CB 3.91Å; L167-E175 HydrophobicContact CD2-CB 4.41Å; R172-E175 HydrophobicContact CB-CB 4.49Å; R172-E175 IonicContact CZ-OE1 2.88Å; R172-E175 IonicContact CZ-OE2 3.95Å; R172-E175 IonicContact NE-OE1 2.79Å; R172-E175 PolarHBondContact NE-OE1 2.95Å; R172-E175 IonicContact NE-OE2 3.8Å; R172-E175 IonicContact NH2-OE1 2.85Å; R172-E175 PolarHBondContact NH2-OE1 3.25Å; R172-E175 IonicContact NH2-OE2 3.65Å; R172-E175 PolarHBondContact NH2-OE2 3.4Å; R172-E175 PolarHBondContact O-N 3.1Å; E175-K177 VanDerWaalsContact C-N 3.33Å; E175-K177 PolarHBondContact O-N 2.84Å; E175-A178 PolarHBondContact O-N 3.03Å; E175-C179 PolarHBondContact O-N 3.41Å; E175-C179 PolarHBondContact O-SG 2.87Å |
| 176 | A | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.3 | -45.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G164 L167 K168 R172 L173 A178 C179 Y180 | G164-A176 WeakPolarHBondContact O-CB 3.4Å; L167-A176 HydrophobicContact CB-CB 3.94Å; K168-A176 HydrophobicContact CB-CB 4.05Å; R172-A176 PolarHBondContact O-N 3.41Å; L173-A176 PolarHBondContact O-N 3.27Å; A176-A178 PolarHBondContact O-N 2.8Å; A176-C179 WeakPolarHBondContact O-CB 2.95Å; A176-C179 PolarHBondContact O-N 2.74Å; A176-C179 VanDerWaalsContact O-N 3.16Å; A176-Y180 HydrophobicContact CB-CE2 4Å; A176-Y180 WeakPolarHBondContact O-CD2 3.5Å; A176-Y180 PolarHBondContact O-N 2.99Å |
| 177 | K | 94.6 | Very high | 93.1 | Very high | 46 Ų | 46 | 53.9 Ų | 53.9 | 20% | 0.2 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.8 | -48.1 | 174.9 | 177.9 | 179.7 | 177.8 | -178.3 | 0 | 112 | L173 E174 E175 C179 Y180 L181 L197 V200 | L173-K177 WeakPolarHBondContact O-CB 3.4Å; L173-K177 PolarHBondContact O-N 3.37Å; E174-K177 WeakPolarHBondContact O-CB 3.41Å; E174-K177 PolarHBondContact O-N 3.16Å; E174-K177 IonicContact OE2-NZ 3.71Å; E175-K177 VanDerWaalsContact C-N 3.33Å; E175-K177 PolarHBondContact O-N 2.84Å; K177-C179 VanDerWaalsContact C-N 3.28Å; K177-C179 PolarHBondContact O-N 2.96Å; K177-Y180 PolarHBondContact O-N 2.78Å; K177-L181 HydrophobicContact CG-CD1 4.03Å; K177-L181 WeakPolarHBondContact O-CB 3.36Å; K177-L181 WeakPolarHBondContact O-CG 3.33Å; K177-L181 PolarHBondContact O-N 2.85Å; K177-L197 HydrophobicContact CB-CD1 4.36Å; K177-L197 HydrophobicContact CG-CD1 3.81Å; K177-V200 HydrophobicContact CB-CG1 4.21Å |
| 178 | A | 94.8 | Very high | 93.1 | Very high | 56 Ų | 56 | 57.5 Ų | 57.5 | 46% | 0.463 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | E174 E175 A176 K182 | E174-A178 PolarHBondContact O-N 2.68Å; E175-A178 PolarHBondContact O-N 3.03Å; A176-A178 PolarHBondContact O-N 2.8Å; A178-K182 WeakPolarHBondContact O-CB 3.11Å; A178-K182 PolarHBondContact O-N 3.42Å; A178-K182 VanDerWaalsContact O-N 3.08Å |
| 179 | C | 95.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 59.3 Ų | 59.3 | 10% | 0.095 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.1 | -48.8 | 175.7 | -68.6 | 0 | 0 | 0 | 0 | 112.2 | R160 E175 A176 K177 K182 A183 | R160-C179 WeakPolarHBondContact CD-O 3.48Å; R160-C179 HydrophobicContact CG-CB 4.05Å; R160-C179 WeakPolarHBondContact CG-O 3.48Å; E175-C179 PolarHBondContact O-N 3.41Å; E175-C179 PolarHBondContact O-SG 2.87Å; A176-C179 WeakPolarHBondContact O-CB 2.95Å; A176-C179 PolarHBondContact O-N 2.74Å; A176-C179 VanDerWaalsContact O-N 3.16Å; K177-C179 VanDerWaalsContact C-N 3.28Å; K177-C179 PolarHBondContact O-N 2.96Å; C179-K182 PolarHBondContact O-N 2.88Å; C179-A183 WeakPolarHBondContact O-CB 3.49Å; C179-A183 PolarHBondContact O-N 3.11Å |
| 180 | Y | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.5 | -42.4 | 179.7 | -58 | -51.6 | 0 | 0 | 0 | 112.6 | G164 N165 A176 K177 K182 A183 I184 N196 L197 V200 | G164-Y180 VanDerWaalsContact C-CZ 3.41Å; G164-Y180 PolarHBondContact O-OH 2.9Å; N165-Y180 VanDerWaalsContact CA-OH 3.24Å; N165-Y180 WeakPolarHBondContact CA-OH 3.28Å; N165-Y180 PolarHBondContact N-OH 3.42Å; N165-Y180 VanDerWaalsContact N-OH 3.08Å; N165-Y180 PolarHBondContact OD1-OH 2.75Å; A176-Y180 HydrophobicContact CB-CE2 4Å; A176-Y180 WeakPolarHBondContact O-CD2 3.5Å; A176-Y180 PolarHBondContact O-N 2.99Å; K177-Y180 PolarHBondContact O-N 2.78Å; Y180-K182 VanDerWaalsContact C-N 3.3Å; Y180-K182 PolarHBondContact O-N 2.77Å; Y180-A183 PolarHBondContact O-N 3.1Å; Y180-I184 VanDerWaalsContact O-CG1 3.3Å; Y180-I184 WeakPolarHBondContact O-CG1 3.48Å; Y180-I184 PolarHBondContact O-N 2.84Å; Y180-N196 HydrophobicContact CD1-CB 3.87Å; Y180-N196 HydrophobicContact CD2-CB 4.27Å; Y180-N196 HydrophobicContact CE1-CB 3.48Å; Y180-N196 VanDerWaalsContact CE1-CB 3.48Å; Y180-N196 HydrophobicContact CE2-CB 3.94Å; Y180-N196 HydrophobicContact CG-CB 4.26Å; Y180-L197 HydrophobicContact CD2-CB 4.42Å; Y180-L197 HydrophobicContact CG-CB 4.49Å; Y180-V200 HydrophobicContact CD2-CG2 4.18Å; Y180-V200 HydrophobicContact CE2-CG2 3.76Å |
| 181 | L | 95.2 | Very high | 93.7 | Very high | 81 Ų | 81 | 54.2 Ų | 54.2 | 42% | 0.424 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.9 | -45.2 | 176.2 | -77 | 171.1 | 0 | 0 | 0 | 111.2 | K177 I184 E185 L197 | K177-L181 HydrophobicContact CG-CD1 4.03Å; K177-L181 WeakPolarHBondContact O-CB 3.36Å; K177-L181 WeakPolarHBondContact O-CG 3.33Å; K177-L181 PolarHBondContact O-N 2.85Å; L181-I184 PolarHBondContact O-N 2.9Å; L181-E185 PolarHBondContact O-N 3.29Å; L181-L197 HydrophobicContact CD2-CD2 3.59Å; L181-L197 HydrophobicContact CG-CD2 4Å |
| 182 | K | 94.2 | Very high | 94 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 35% | 0.348 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72 | -31.8 | 179.8 | -172.9 | 66.4 | 178.7 | -176.8 | 0 | 112.3 | A178 C179 Y180 E185 T186 | A178-K182 WeakPolarHBondContact O-CB 3.11Å; A178-K182 PolarHBondContact O-N 3.42Å; A178-K182 VanDerWaalsContact O-N 3.08Å; C179-K182 PolarHBondContact O-N 2.88Å; Y180-K182 VanDerWaalsContact C-N 3.3Å; Y180-K182 PolarHBondContact O-N 2.77Å; K182-E185 HydrophobicContact CD-CB 4.4Å; K182-E185 WeakPolarHBondContact CD-OE2 3.26Å; K182-E185 WeakPolarHBondContact CE-OE2 3.46Å; K182-E185 IonicContact NZ-OE1 3.76Å; K182-E185 PolarHBondContact NZ-OE1 2.78Å; K182-E185 IonicContact NZ-OE2 2.73Å; K182-E185 PolarHBondContact NZ-OE2 3.1Å; K182-E185 PolarHBondContact O-N 2.93Å; K182-T186 PolarHBondContact O-N 3.23Å; K182-T186 VanDerWaalsContact O-N 3.11Å; K182-T186 PolarHBondContact O-OG1 3.13Å |
| 183 | A | 94.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R160 C179 Y180 T186 Q187 A193 | R160-A183 HydrophobicContact CB-CB 4.43Å; R160-A183 HydrophobicContact CG-CB 4.41Å; C179-A183 WeakPolarHBondContact O-CB 3.49Å; C179-A183 PolarHBondContact O-N 3.11Å; Y180-A183 PolarHBondContact O-N 3.1Å; A183-T186 PolarHBondContact O-N 3.16Å; A183-Q187 PolarHBondContact O-N 3.11Å; A183-A193 HydrophobicContact CB-CB 4.24Å |
| 184 | I | 95 | Very high | 94.3 | Very high | 16 Ų | 16 | 50.5 Ų | 50.5 | 8% | 0.082 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.9 | -40.3 | 174.5 | -68.9 | 163.7 | 0 | 0 | 0 | 111.1 | Y180 L181 T186 Q187 P188 A193 W194 L197 | Y180-I184 VanDerWaalsContact O-CG1 3.3Å; Y180-I184 WeakPolarHBondContact O-CG1 3.48Å; Y180-I184 PolarHBondContact O-N 2.84Å; L181-I184 PolarHBondContact O-N 2.9Å; I184-T186 VanDerWaalsContact C-N 3.31Å; I184-T186 PolarHBondContact O-N 3.11Å; I184-Q187 CarbonylContact O-C 3.27Å; I184-Q187 PolarHBondContact O-N 3.19Å; I184-P188 VanDerWaalsContact O-CA 3.22Å; I184-P188 WeakPolarHBondContact O-CA 3.47Å; I184-P188 WeakPolarHBondContact O-CD 3.3Å; I184-P188 VanDerWaalsContact O-N 3.09Å; I184-A193 HydrophobicContact CD1-CB 4.28Å; I184-A193 HydrophobicContact CG1-CB 3.74Å; I184-W194 HydrophobicContact CD1-CD2 3.77Å; I184-W194 HydrophobicContact CD1-CE3 4.11Å; I184-W194 HydrophobicContact CD1-CG 4.01Å; I184-W194 HydrophobicContact CD1-CZ2 4.45Å; I184-W194 HydrophobicContact CG1-CD2 4.28Å; I184-W194 HydrophobicContact CG1-CG 4.31Å; I184-W194 HydrophobicContact CG2-CD2 4.45Å; I184-W194 HydrophobicContact CG2-CH2 4.06Å; I184-W194 HydrophobicContact CG2-CZ2 3.33Å; I184-L197 HydrophobicContact CD1-CD2 3.8Å |
| 185 | E | 93.9 | Very high | 94.5 | Very high | 130 Ų | 130 | 45.3 Ų | 45.3 | 61% | 0.607 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -60.1 | -42.2 | 176.5 | -167.9 | -169.2 | 149.7 | 0 | 0 | 111.4 | L181 K182 | L181-E185 PolarHBondContact O-N 3.29Å; K182-E185 HydrophobicContact CD-CB 4.4Å; K182-E185 WeakPolarHBondContact CD-OE2 3.26Å; K182-E185 WeakPolarHBondContact CE-OE2 3.46Å; K182-E185 IonicContact NZ-OE1 3.76Å; K182-E185 PolarHBondContact NZ-OE1 2.78Å; K182-E185 IonicContact NZ-OE2 2.73Å; K182-E185 PolarHBondContact NZ-OE2 3.1Å; K182-E185 PolarHBondContact O-N 2.93Å |
| 186 | T | 92.1 | Very high | 94.6 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 25% | 0.245 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.4 | -44.1 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | D155 Y157 K182 A183 I184 | D155-T186 HydrophobicContact CB-CG2 4.14Å; D155-T186 WeakPolarHBondContact O-CG2 3.23Å; Y157-T186 HydrophobicContact CD1-CG2 4.42Å; K182-T186 PolarHBondContact O-N 3.23Å; K182-T186 VanDerWaalsContact O-N 3.11Å; K182-T186 PolarHBondContact O-OG1 3.13Å; A183-T186 PolarHBondContact O-N 3.16Å; I184-T186 VanDerWaalsContact C-N 3.31Å; I184-T186 PolarHBondContact O-N 3.11Å |
| 187 | Q | 93.8 | Very high | 94.6 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | trans | -134.9 | 90.4 | -179.2 | -168.8 | 62.6 | 49.4 | 0 | 0 | 111.5 | Y157 A183 I184 N189 F190 | Y157-Q187 HydrophobicContact CD1-CB 3.75Å; Y157-Q187 HydrophobicContact CD1-CG 4.32Å; Y157-Q187 HydrophobicContact CD2-CB 3.87Å; Y157-Q187 HydrophobicContact CD2-CG 4.34Å; Y157-Q187 HydrophobicContact CE1-CB 4.01Å; Y157-Q187 HydrophobicContact CE1-CG 4.07Å; Y157-Q187 HydrophobicContact CE2-CB 4.13Å; Y157-Q187 HydrophobicContact CE2-CG 4.08Å; Y157-Q187 HydrophobicContact CG-CB 3.68Å; Y157-Q187 HydrophobicContact CG-CG 4.46Å; A183-Q187 PolarHBondContact O-N 3.11Å; I184-Q187 CarbonylContact O-C 3.27Å; I184-Q187 PolarHBondContact O-N 3.19Å; Q187-N189 VanDerWaalsContact C-N 3.26Å; Q187-N189 VanDerWaalsContact CG-OD1 3.24Å; Q187-N189 WeakPolarHBondContact CG-OD1 3.29Å; Q187-N189 PolarHBondContact NE2-OD1 3.09Å; Q187-N189 PolarHBondContact O-N 3.5Å; Q187-N189 VanDerWaalsContact O-N 3.14Å; Q187-F190 HydrophobicContact CB-CB 4.27Å; Q187-F190 HydrophobicContact CG-CB 4.18Å; Q187-F190 VanDerWaalsContact O-CB 3.3Å; Q187-F190 WeakPolarHBondContact O-CB 3.41Å; Q187-F190 PolarHBondContact O-N 3.45Å; Q187-F190 VanDerWaalsContact O-N 3.09Å | ||
| 188 | P | 93.8 | Very high | 94.6 | Very high | 81 Ų | 81 | 40 Ų | 40 | 53% | 0.526 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -24.2 | -172.3 | -28.2 | 36 | 0 | 0 | 0 | 115.9 | I184 F190 W194 | I184-P188 VanDerWaalsContact O-CA 3.22Å; I184-P188 WeakPolarHBondContact O-CA 3.47Å; I184-P188 WeakPolarHBondContact O-CD 3.3Å; I184-P188 VanDerWaalsContact O-N 3.09Å; P188-F190 VanDerWaalsContact C-N 3.32Å; P188-W194 PolarHBondContact O-NE1 2.94Å |
| 189 | N | 93.7 | Very high | 94.6 | Very high | 102 Ų | 102 | 38.8 Ų | 38.8 | 55% | 0.545 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 7.1 | 179.2 | 70.8 | -5.9 | 0 | 0 | 0 | 113.7 | Q187 A191 L220 | Q187-N189 VanDerWaalsContact C-N 3.26Å; Q187-N189 VanDerWaalsContact CG-OD1 3.24Å; Q187-N189 WeakPolarHBondContact CG-OD1 3.29Å; Q187-N189 PolarHBondContact NE2-OD1 3.09Å; Q187-N189 PolarHBondContact O-N 3.5Å; Q187-N189 VanDerWaalsContact O-N 3.14Å; N189-A191 PolarHBondContact O-N 2.77Å; N189-L220 HydrophobicContact CB-CD2 4.1Å |
| 190 | F | 93.9 | Very high | 94.5 | Very high | 40 Ų | 40 | 38.1 Ų | 38.1 | 18% | 0.175 | 20% | 0.2 | C | C | . | . | trans | -78.8 | 86.3 | -179.2 | -174.5 | -130.6 | 0 | 0 | 0 | 111.7 | Y157 Q187 P188 V192 A193 | Y157-F190 HydrophobicContact CD2-CB 4.22Å; Y157-F190 AromaticContact CD2-CD1 3.73Å; Y157-F190 HydrophobicContact CD2-CD1 3.73Å; Y157-F190 HydrophobicContact CD2-CD2 4.18Å; Y157-F190 HydrophobicContact CD2-CE1 4.1Å; Y157-F190 AromaticContact CD2-CG 3.79Å; Y157-F190 HydrophobicContact CD2-CG 3.79Å; Y157-F190 HydrophobicContact CD2-CZ 4.47Å; Y157-F190 HydrophobicContact CE2-CB 4.24Å; Y157-F190 HydrophobicContact CE2-CD1 4.18Å; Y157-F190 AromaticContact CE2-CD2 3.77Å; Y157-F190 HydrophobicContact CE2-CD2 3.77Å; Y157-F190 HydrophobicContact CE2-CE2 4.12Å; Y157-F190 AromaticContact CE2-CG 3.8Å; Y157-F190 HydrophobicContact CE2-CG 3.8Å; Y157-F190 HydrophobicContact CE2-CZ 4.47Å; Q187-F190 HydrophobicContact CB-CB 4.27Å; Q187-F190 HydrophobicContact CG-CB 4.18Å; Q187-F190 VanDerWaalsContact O-CB 3.3Å; Q187-F190 WeakPolarHBondContact O-CB 3.41Å; Q187-F190 PolarHBondContact O-N 3.45Å; Q187-F190 VanDerWaalsContact O-N 3.09Å; P188-F190 VanDerWaalsContact C-N 3.32Å; F190-V192 HydrophobicContact CD2-CB 4.48Å; F190-V192 HydrophobicContact CE1-CB 4.12Å; F190-V192 HydrophobicContact CE2-CB 3.89Å; F190-V192 HydrophobicContact CE2-CG2 4.09Å; F190-V192 HydrophobicContact CZ-CB 3.69Å; F190-V192 HydrophobicContact CZ-CG1 4.19Å; F190-V192 HydrophobicContact CZ-CG2 4.3Å; F190-V192 PolarHBondContact O-N 3Å; F190-V192 VanDerWaalsContact O-N 3.13Å; F190-A193 HydrophobicContact CD1-CB 3.5Å; F190-A193 VanDerWaalsContact CD1-CB 3.5Å; F190-A193 HydrophobicContact CE1-CB 3.92Å; F190-A193 HydrophobicContact CG-CB 4.48Å; F190-A193 PolarHBondContact O-N 2.98Å; F190-A193 VanDerWaalsContact O-N 3.15Å | ||
| 191 | A | 94.4 | Very high | 94.4 | Very high | 9 Ų | 9 | 38.8 Ų | 38.8 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -53.4 | -35.1 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | N189 A193 W194 S195 L220 D221 F224 | N189-A191 PolarHBondContact O-N 2.77Å; A191-A193 PolarHBondContact O-N 3.08Å; A191-W194 WeakPolarHBondContact O-CB 3.46Å; A191-W194 PolarHBondContact O-N 3.49Å; A191-S195 PolarHBondContact O-N 2.77Å; A191-L220 HydrophobicContact CB-CB 3.86Å; A191-D221 HydrophobicContact CB-CB 3.8Å; A191-F224 HydrophobicContact CB-CD1 4.1Å; A191-F224 HydrophobicContact CB-CE1 4.35Å |
| 192 | V | 94.2 | Very high | 94.2 | Very high | 56 Ų | 56 | 37.3 Ų | 37.3 | 34% | 0.339 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.4 | -42.8 | -179.9 | 178 | 0 | 0 | 0 | 0 | 111.9 | F190 W194 S195 N196 F224 | F190-V192 HydrophobicContact CD2-CB 4.48Å; F190-V192 HydrophobicContact CE1-CB 4.12Å; F190-V192 HydrophobicContact CE2-CB 3.89Å; F190-V192 HydrophobicContact CE2-CG2 4.09Å; F190-V192 HydrophobicContact CZ-CB 3.69Å; F190-V192 HydrophobicContact CZ-CG1 4.19Å; F190-V192 HydrophobicContact CZ-CG2 4.3Å; F190-V192 PolarHBondContact O-N 3Å; F190-V192 VanDerWaalsContact O-N 3.13Å; V192-W194 PolarHBondContact O-N 3.05Å; V192-S195 PolarHBondContact O-N 2.83Å; V192-N196 WeakPolarHBondContact O-CB 3.49Å; V192-N196 PolarHBondContact O-N 3Å; V192-N196 PolarHBondContact O-ND2 3.29Å; V192-F224 HydrophobicContact CG2-CE1 4.35Å; V192-F224 HydrophobicContact CG2-CZ 4.25Å |
| 193 | A | 94.2 | Very high | 94 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67.3 | -36.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A183 I184 F190 A191 N196 L197 | A183-A193 HydrophobicContact CB-CB 4.24Å; I184-A193 HydrophobicContact CD1-CB 4.28Å; I184-A193 HydrophobicContact CG1-CB 3.74Å; F190-A193 HydrophobicContact CD1-CB 3.5Å; F190-A193 VanDerWaalsContact CD1-CB 3.5Å; F190-A193 HydrophobicContact CE1-CB 3.92Å; F190-A193 HydrophobicContact CG-CB 4.48Å; F190-A193 PolarHBondContact O-N 2.98Å; F190-A193 VanDerWaalsContact O-N 3.15Å; A191-A193 PolarHBondContact O-N 3.08Å; A193-N196 PolarHBondContact O-N 3.28Å; A193-L197 VanDerWaalsContact O-CB 3.26Å; A193-L197 WeakPolarHBondContact O-CB 3.22Å; A193-L197 PolarHBondContact O-N 2.99Å |
| 194 | W | 97 | Very high | 93.7 | Very high | 44 Ų | 44 | 39.8 Ų | 39.8 | 17% | 0.167 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 173.6 | -73.3 | 98.2 | 0 | 0 | 0 | 112 | I184 P188 A191 V192 L197 G198 H213 K216 A217 L220 | I184-W194 HydrophobicContact CD1-CD2 3.77Å; I184-W194 HydrophobicContact CD1-CE3 4.11Å; I184-W194 HydrophobicContact CD1-CG 4.01Å; I184-W194 HydrophobicContact CD1-CZ2 4.45Å; I184-W194 HydrophobicContact CG1-CD2 4.28Å; I184-W194 HydrophobicContact CG1-CG 4.31Å; I184-W194 HydrophobicContact CG2-CD2 4.45Å; I184-W194 HydrophobicContact CG2-CH2 4.06Å; I184-W194 HydrophobicContact CG2-CZ2 3.33Å; P188-W194 PolarHBondContact O-NE1 2.94Å; A191-W194 WeakPolarHBondContact O-CB 3.46Å; A191-W194 PolarHBondContact O-N 3.49Å; V192-W194 PolarHBondContact O-N 3.05Å; W194-L197 PolarHBondContact O-N 2.86Å; W194-G198 PolarHBondContact O-N 2.87Å; W194-H213 HydrophobicContact CE3-CB 4.43Å; W194-H213 AromaticContact CE3-CD2 3.52Å; W194-H213 AromaticContact CZ3-CD2 3.63Å; W194-H213 AromaticContact CZ3-NE2 3.95Å; W194-K216 HydrophobicContact CD2-CB 4.01Å; W194-K216 HydrophobicContact CE3-CB 3.79Å; W194-K216 HydrophobicContact CE3-CG 4.25Å; W194-K216 HydrophobicContact CG-CB 4.42Å; W194-K216 HydrophobicContact CZ3-CB 4.27Å; W194-K216 HydrophobicContact CZ3-CG 4.22Å; W194-A217 HydrophobicContact CB-CB 3.92Å; W194-L220 HydrophobicContact CG-CD1 4.17Å |
| 195 | S | 95.8 | Very high | 93.3 | Very high | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.035 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 177.7 | -177 | 0 | 0 | 0 | 0 | 111.8 | A191 V192 L197 G198 C199 F214 F224 | A191-S195 PolarHBondContact O-N 2.77Å; V192-S195 PolarHBondContact O-N 2.83Å; S195-L197 PolarHBondContact O-N 2.78Å; S195-G198 PolarHBondContact O-N 2.88Å; S195-C199 PolarHBondContact O-N 2.92Å; S195-C199 PolarHBondContact O-SG 3.41Å; S195-C199 VanDerWaalsContact O-SG 3.32Å; S195-F214 WeakPolarHBondContact O-CE1 3.26Å; S195-F224 VanDerWaalsContact CB-CE1 3.47Å |
| 196 | N | 95 | Very high | 93.2 | Very high | 21 Ų | 21 | 40.3 Ų | 40.3 | 11% | 0.112 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.7 | -37.3 | 177.6 | -82.6 | -36.1 | 0 | 0 | 0 | 113.1 | N165 K168 Y180 V192 A193 G198 C199 V200 | N165-N196 VanDerWaalsContact OD1-CG 3.3Å; N165-N196 PolarHBondContact OD1-ND2 2.87Å; N165-N196 PolarHBondContact OD1-OD1 2.8Å; K168-N196 PolarHBondContact NZ-OD1 3.21Å; Y180-N196 HydrophobicContact CD1-CB 3.87Å; Y180-N196 HydrophobicContact CD2-CB 4.27Å; Y180-N196 HydrophobicContact CE1-CB 3.48Å; Y180-N196 VanDerWaalsContact CE1-CB 3.48Å; Y180-N196 HydrophobicContact CE2-CB 3.94Å; Y180-N196 HydrophobicContact CG-CB 4.26Å; V192-N196 WeakPolarHBondContact O-CB 3.49Å; V192-N196 PolarHBondContact O-N 3Å; V192-N196 PolarHBondContact O-ND2 3.29Å; A193-N196 PolarHBondContact O-N 3.28Å; N196-G198 VanDerWaalsContact C-N 3.35Å; N196-C199 WeakPolarHBondContact O-CB 3.47Å; N196-C199 PolarHBondContact O-N 2.71Å; N196-V200 PolarHBondContact O-N 3.44Å; N196-V200 VanDerWaalsContact O-N 3.17Å |
| 197 | L | 95.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66 | -38.5 | 173.3 | -176.8 | 54.7 | 0 | 0 | 0 | 111.5 | K177 Y180 L181 I184 A193 W194 S195 C199 V200 F201 H213 | K177-L197 HydrophobicContact CB-CD1 4.36Å; K177-L197 HydrophobicContact CG-CD1 3.81Å; Y180-L197 HydrophobicContact CD2-CB 4.42Å; Y180-L197 HydrophobicContact CG-CB 4.49Å; L181-L197 HydrophobicContact CD2-CD2 3.59Å; L181-L197 HydrophobicContact CG-CD2 4Å; I184-L197 HydrophobicContact CD1-CD2 3.8Å; A193-L197 VanDerWaalsContact O-CB 3.26Å; A193-L197 WeakPolarHBondContact O-CB 3.22Å; A193-L197 PolarHBondContact O-N 2.99Å; W194-L197 PolarHBondContact O-N 2.86Å; S195-L197 PolarHBondContact O-N 2.78Å; L197-C199 VanDerWaalsContact C-N 3.32Å; L197-C199 PolarHBondContact O-N 2.76Å; L197-V200 PolarHBondContact O-N 3.48Å; L197-V200 VanDerWaalsContact O-N 3.15Å; L197-F201 HydrophobicContact CD1-CD2 4.11Å; L197-F201 HydrophobicContact CD1-CE2 3.68Å; L197-F201 HydrophobicContact CD1-CZ 4.32Å; L197-F201 HydrophobicContact CD2-CE2 4.22Å; L197-F201 HydrophobicContact CG-CD2 4.02Å; L197-F201 HydrophobicContact CG-CE2 3.68Å; L197-F201 WeakPolarHBondContact O-CD2 3.28Å; L197-F201 PolarHBondContact O-N 3.32Å; L197-H213 VanDerWaalsContact CD2-CD2 3.41Å; L197-H213 WeakPolarHBondContact CD2-CD2 3.23Å |
| 198 | G | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.4 | -43 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | W194 S195 N196 V200 F201 N202 | W194-G198 PolarHBondContact O-N 2.87Å; S195-G198 PolarHBondContact O-N 2.88Å; N196-G198 VanDerWaalsContact C-N 3.35Å; G198-V200 VanDerWaalsContact C-N 3.31Å; G198-V200 PolarHBondContact O-N 2.9Å; G198-F201 PolarHBondContact O-N 3.3Å; G198-N202 PolarHBondContact O-N 2.79Å |
| 199 | C | 93.9 | Very high | 93.1 | Very high | 32 Ų | 32 | 45.9 Ų | 45.9 | 22% | 0.216 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 174.5 | -63.2 | 0 | 0 | 0 | 0 | 112.5 | S195 N196 L197 N202 A203 | S195-C199 PolarHBondContact O-N 2.92Å; S195-C199 PolarHBondContact O-SG 3.41Å; S195-C199 VanDerWaalsContact O-SG 3.32Å; N196-C199 WeakPolarHBondContact O-CB 3.47Å; N196-C199 PolarHBondContact O-N 2.71Å; L197-C199 VanDerWaalsContact C-N 3.32Å; L197-C199 PolarHBondContact O-N 2.76Å; C199-N202 PolarHBondContact O-N 2.9Å; C199-A203 PolarHBondContact O-N 3.36Å |
| 200 | V | 94 | Very high | 93.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.7 | -46.4 | 178.1 | 175.6 | 0 | 0 | 0 | 0 | 110.9 | K168 L173 K177 Y180 N196 L197 G198 N202 A203 Q204 | K168-V200 HydrophobicContact CD-CG2 4.19Å; K168-V200 HydrophobicContact CG-CG2 4.48Å; L173-V200 HydrophobicContact CB-CG1 4.24Å; K177-V200 HydrophobicContact CB-CG1 4.21Å; Y180-V200 HydrophobicContact CD2-CG2 4.18Å; Y180-V200 HydrophobicContact CE2-CG2 3.76Å; N196-V200 PolarHBondContact O-N 3.44Å; N196-V200 VanDerWaalsContact O-N 3.17Å; L197-V200 PolarHBondContact O-N 3.48Å; L197-V200 VanDerWaalsContact O-N 3.15Å; G198-V200 VanDerWaalsContact C-N 3.31Å; G198-V200 PolarHBondContact O-N 2.9Å; V200-N202 VanDerWaalsContact C-N 3.26Å; V200-N202 PolarHBondContact O-N 2.74Å; V200-A203 PolarHBondContact O-N 3.11Å; V200-Q204 WeakPolarHBondContact O-CG 3.47Å; V200-Q204 PolarHBondContact O-N 3.14Å |
| 201 | F | 94 | Very high | 93.3 | Very high | 14 Ų | 14 | 39.3 Ų | 39.3 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.4 | -36.8 | 176.3 | -77.1 | -58.3 | 0 | 0 | 0 | 112.3 | L197 G198 Q204 G205 E206 L209 A210 H213 | L197-F201 HydrophobicContact CD1-CD2 4.11Å; L197-F201 HydrophobicContact CD1-CE2 3.68Å; L197-F201 HydrophobicContact CD1-CZ 4.32Å; L197-F201 HydrophobicContact CD2-CE2 4.22Å; L197-F201 HydrophobicContact CG-CD2 4.02Å; L197-F201 HydrophobicContact CG-CE2 3.68Å; L197-F201 WeakPolarHBondContact O-CD2 3.28Å; L197-F201 PolarHBondContact O-N 3.32Å; G198-F201 PolarHBondContact O-N 3.3Å; F201-Q204 PolarHBondContact O-N 3.02Å; F201-G205 PolarHBondContact O-N 3.17Å; F201-E206 HydrophobicContact CB-CB 4.22Å; F201-E206 HydrophobicContact CD1-CB 3.99Å; F201-E206 HydrophobicContact CD1-CG 4.4Å; F201-E206 PolarHBondContact O-N 3.46Å; F201-L209 HydrophobicContact CB-CB 4.13Å; F201-L209 HydrophobicContact CD1-CB 3.91Å; F201-L209 HydrophobicContact CD1-CD1 3.87Å; F201-L209 HydrophobicContact CD2-CB 4.01Å; F201-L209 HydrophobicContact CE1-CB 4.29Å; F201-L209 HydrophobicContact CE1-CD1 3.64Å; F201-L209 HydrophobicContact CE2-CB 4.38Å; F201-L209 HydrophobicContact CG-CB 3.76Å; F201-L209 HydrophobicContact CZ-CD1 4.15Å; F201-A210 HydrophobicContact CB-CB 4.04Å; F201-H213 AromaticContact CD2-CE1 3.9Å; F201-H213 AromaticContact CD2-ND1 3.84Å; F201-H213 AromaticContact CE2-CE1 3.42Å; F201-H213 VanDerWaalsContact CE2-CE1 3.42Å; F201-H213 WeakPolarHBondContact CE2-CE1 3.37Å; F201-H213 AromaticContact CE2-ND1 3.85Å; F201-H213 AromaticContact CE2-NE2 3.64Å |
| 202 | N | 91.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 42.9 Ų | 42.9 | 26% | 0.262 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 174.9 | -165 | 41.1 | 0 | 0 | 0 | 111.7 | G198 C199 V200 Q204 G205 A210 V234 | G198-N202 PolarHBondContact O-N 2.79Å; C199-N202 PolarHBondContact O-N 2.9Å; V200-N202 VanDerWaalsContact C-N 3.26Å; V200-N202 PolarHBondContact O-N 2.74Å; N202-Q204 PolarHBondContact O-N 2.81Å; N202-G205 PolarHBondContact O-N 3.21Å; N202-A210 HydrophobicContact CB-CB 3.96Å; N202-V234 HydrophobicContact CB-CG2 4.25Å; N202-V234 VanDerWaalsContact CG-CG2 3.5Å; N202-V234 WeakPolarHBondContact OD1-CG2 3.33Å |
| 203 | A | 88.5 | Confident | 93.4 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 58% | 0.579 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -62.7 | -23 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L173 C199 V200 | L173-A203 HydrophobicContact CD1-CB 4.22Å; C199-A203 PolarHBondContact O-N 3.36Å; V200-A203 PolarHBondContact O-N 3.11Å |
| 204 | Q | 88.4 | Confident | 93.6 | Very high | 62 Ų | 62 | 41.2 Ų | 41.2 | 29% | 0.29 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -5.1 | 174.6 | -68.3 | -177.4 | -30.2 | 0 | 0 | 113.7 | L173 E174 V200 F201 N202 E206 | L173-Q204 HydrophobicContact CD1-CG 4.38Å; E174-Q204 PolarHBondContact OE1-NE2 2.89Å; V200-Q204 WeakPolarHBondContact O-CG 3.47Å; V200-Q204 PolarHBondContact O-N 3.14Å; F201-Q204 PolarHBondContact O-N 3.02Å; N202-Q204 PolarHBondContact O-N 2.81Å; Q204-E206 VanDerWaalsContact C-N 3.29Å; Q204-E206 HydrophobicContact CB-CG 4.33Å |
| 205 | G | 86.4 | Confident | 93.6 | Very high | 54 Ų | 54 | 42.4 Ų | 42.4 | 56% | 0.557 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79 | 7.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F201 N202 I207 | F201-G205 PolarHBondContact O-N 3.17Å; N202-G205 PolarHBondContact O-N 3.21Å; G205-I207 PolarHBondContact O-N 2.55Å |
| 206 | E | 91.6 | Very high | 93.6 | Very high | 103 Ų | 103 | 46.6 Ų | 46.6 | 48% | 0.481 | 24% | 0.243 | S | C | . | . | trans | -84.2 | 65.2 | 179.3 | -66.8 | -67.1 | 167.3 | 0 | 0 | 110.7 | F201 Q204 W208 L209 A210 | F201-E206 HydrophobicContact CB-CB 4.22Å; F201-E206 HydrophobicContact CD1-CB 3.99Å; F201-E206 HydrophobicContact CD1-CG 4.4Å; F201-E206 PolarHBondContact O-N 3.46Å; Q204-E206 VanDerWaalsContact C-N 3.29Å; Q204-E206 HydrophobicContact CB-CG 4.33Å; E206-W208 VanDerWaalsContact C-N 3.32Å; E206-W208 PolarHBondContact O-N 2.73Å; E206-L209 HydrophobicContact CB-CB 4.25Å; E206-L209 HydrophobicContact CB-CD1 4.19Å; E206-L209 PolarHBondContact O-N 2.98Å; E206-L209 VanDerWaalsContact O-N 3.09Å; E206-A210 PolarHBondContact O-N 3.04Å | ||
| 207 | I | 91.2 | Very high | 93.7 | Very high | 54 Ų | 54 | 45.6 Ų | 45.6 | 28% | 0.277 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -51.8 | -45.7 | -169.8 | -66.4 | 174 | 0 | 0 | 0 | 112.6 | G205 L209 A210 I211 V234 A238 | G205-I207 PolarHBondContact O-N 2.55Å; I207-L209 PolarHBondContact O-N 3.31Å; I207-A210 WeakPolarHBondContact O-CB 3.4Å; I207-A210 PolarHBondContact O-N 3.2Å; I207-I211 HydrophobicContact CG2-CD1 4.01Å; I207-I211 WeakPolarHBondContact O-CG1 3.49Å; I207-I211 PolarHBondContact O-N 3.07Å; I207-V234 HydrophobicContact CG2-CG1 3.83Å; I207-A238 HydrophobicContact CG2-CB 3.76Å |
| 208 | W | 92 | Very high | 93.7 | Very high | 175 Ų | 175 | 46.1 Ų | 46.1 | 66% | 0.663 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -68.2 | -36.4 | -177.6 | -68.3 | 110.7 | 0 | 0 | 0 | 113.2 | E206 I211 H212 I240 | E206-W208 VanDerWaalsContact C-N 3.32Å; E206-W208 PolarHBondContact O-N 2.73Å; W208-I211 HydrophobicContact CE3-CD1 4.07Å; W208-I211 HydrophobicContact CZ3-CD1 4.31Å; W208-H212 PolarHBondContact O-N 3.27Å; W208-H212 VanDerWaalsContact O-N 3.13Å; W208-I240 HydrophobicContact CH2-CD1 3.53Å; W208-I240 HydrophobicContact CZ3-CD1 3.61Å |
| 209 | L | 93.8 | Very high | 93.7 | Very high | 73 Ų | 73 | 51 Ų | 51 | 38% | 0.382 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.5 | -40.4 | 174.6 | -69.8 | 175.1 | 0 | 0 | 0 | 110.4 | F201 E206 I207 I211 H212 H213 | F201-L209 HydrophobicContact CB-CB 4.13Å; F201-L209 HydrophobicContact CD1-CB 3.91Å; F201-L209 HydrophobicContact CD1-CD1 3.87Å; F201-L209 HydrophobicContact CD2-CB 4.01Å; F201-L209 HydrophobicContact CE1-CB 4.29Å; F201-L209 HydrophobicContact CE1-CD1 3.64Å; F201-L209 HydrophobicContact CE2-CB 4.38Å; F201-L209 HydrophobicContact CG-CB 3.76Å; F201-L209 HydrophobicContact CZ-CD1 4.15Å; E206-L209 HydrophobicContact CB-CB 4.25Å; E206-L209 HydrophobicContact CB-CD1 4.19Å; E206-L209 PolarHBondContact O-N 2.98Å; E206-L209 VanDerWaalsContact O-N 3.09Å; I207-L209 PolarHBondContact O-N 3.31Å; L209-I211 PolarHBondContact O-N 3.07Å; L209-H212 PolarHBondContact O-N 2.85Å; L209-H213 PolarHBondContact O-N 3.22Å; L209-H213 VanDerWaalsContact O-N 3.1Å; L209-H213 PolarHBondContact O-ND1 3.09Å |
| 210 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F201 N202 E206 I207 H212 H213 F214 V234 | F201-A210 HydrophobicContact CB-CB 4.04Å; N202-A210 HydrophobicContact CB-CB 3.96Å; E206-A210 PolarHBondContact O-N 3.04Å; I207-A210 WeakPolarHBondContact O-CB 3.4Å; I207-A210 PolarHBondContact O-N 3.2Å; A210-H212 PolarHBondContact O-N 3.01Å; A210-H213 PolarHBondContact O-N 3.38Å; A210-F214 HydrophobicContact CB-CD2 4.46Å; A210-F214 HydrophobicContact CB-CE2 4.21Å; A210-F214 WeakPolarHBondContact O-CD2 3.46Å; A210-F214 PolarHBondContact O-N 3.48Å; A210-V234 HydrophobicContact CB-CG1 4.18Å |
| 211 | I | 96.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 55.9 Ų | 55.9 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -54.8 | -51 | 176.2 | -67.9 | 165.2 | 0 | 0 | 0 | 110.6 | I207 W208 L209 H213 F214 E215 L231 V234 L235 A238 I240 | I207-I211 HydrophobicContact CG2-CD1 4.01Å; I207-I211 WeakPolarHBondContact O-CG1 3.49Å; I207-I211 PolarHBondContact O-N 3.07Å; W208-I211 HydrophobicContact CE3-CD1 4.07Å; W208-I211 HydrophobicContact CZ3-CD1 4.31Å; L209-I211 PolarHBondContact O-N 3.07Å; I211-H213 VanDerWaalsContact C-N 3.3Å; I211-H213 PolarHBondContact O-N 2.72Å; I211-F214 PolarHBondContact O-N 3.33Å; I211-E215 HydrophobicContact CG2-CG 4.29Å; I211-E215 WeakPolarHBondContact O-CG 3.35Å; I211-E215 PolarHBondContact O-N 3.26Å; I211-L231 HydrophobicContact CG2-CD1 4.13Å; I211-V234 HydrophobicContact CD1-CG1 4.22Å; I211-V234 HydrophobicContact CG1-CB 4.42Å; I211-V234 HydrophobicContact CG1-CG1 3.62Å; I211-L235 HydrophobicContact CD1-CD2 3.86Å; I211-L235 HydrophobicContact CG1-CD2 4.11Å; I211-L235 HydrophobicContact CG1-CG 4.46Å; I211-L235 HydrophobicContact CG2-CD2 4.11Å; I211-A238 HydrophobicContact CD1-CB 4.2Å; I211-I240 HydrophobicContact CD1-CD1 4.32Å |
| 212 | H | 95.8 | Very high | 93.8 | Very high | 85 Ų | 85 | 58.2 Ų | 58.2 | 39% | 0.394 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -55.4 | -45.5 | -178.9 | 179.5 | 77.5 | 0 | 0 | 0 | 112.6 | W208 L209 A210 E215 K216 | W208-H212 PolarHBondContact O-N 3.27Å; W208-H212 VanDerWaalsContact O-N 3.13Å; L209-H212 PolarHBondContact O-N 2.85Å; A210-H212 PolarHBondContact O-N 3.01Å; H212-E215 PolarHBondContact O-N 2.81Å; H212-K216 WeakPolarHBondContact O-CG 3.23Å; H212-K216 PolarHBondContact O-N 3.14Å |
| 213 | H | 96.4 | Very high | 94 | Very high | 18 Ų | 18 | 61.1 Ų | 61.1 | 8% | 0.083 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -73.1 | -36.8 | -176.2 | -70.6 | 73.9 | 0 | 0 | 0 | 112.1 | W194 L197 F201 L209 A210 I211 K216 A217 | W194-H213 HydrophobicContact CE3-CB 4.43Å; W194-H213 AromaticContact CE3-CD2 3.52Å; W194-H213 AromaticContact CZ3-CD2 3.63Å; W194-H213 AromaticContact CZ3-NE2 3.95Å; L197-H213 VanDerWaalsContact CD2-CD2 3.41Å; L197-H213 WeakPolarHBondContact CD2-CD2 3.23Å; F201-H213 AromaticContact CD2-CE1 3.9Å; F201-H213 AromaticContact CD2-ND1 3.84Å; F201-H213 AromaticContact CE2-CE1 3.42Å; F201-H213 VanDerWaalsContact CE2-CE1 3.42Å; F201-H213 WeakPolarHBondContact CE2-CE1 3.37Å; F201-H213 AromaticContact CE2-ND1 3.85Å; F201-H213 AromaticContact CE2-NE2 3.64Å; L209-H213 PolarHBondContact O-N 3.22Å; L209-H213 VanDerWaalsContact O-N 3.1Å; L209-H213 PolarHBondContact O-ND1 3.09Å; A210-H213 PolarHBondContact O-N 3.38Å; I211-H213 VanDerWaalsContact C-N 3.3Å; I211-H213 PolarHBondContact O-N 2.72Å; H213-K216 PolarHBondContact O-N 3.16Å; H213-A217 PolarHBondContact O-N 2.94Å |
| 214 | F | 97.3 | Very high | 94.2 | Very high | 2 Ų | 2 | 59.3 Ų | 59.3 | 1% | 0.009 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 172 | -70.3 | -52.3 | 0 | 0 | 0 | 112.3 | S195 A210 I211 K216 A217 V218 N230 L231 V234 | S195-F214 WeakPolarHBondContact O-CE1 3.26Å; A210-F214 HydrophobicContact CB-CD2 4.46Å; A210-F214 HydrophobicContact CB-CE2 4.21Å; A210-F214 WeakPolarHBondContact O-CD2 3.46Å; A210-F214 PolarHBondContact O-N 3.48Å; I211-F214 PolarHBondContact O-N 3.33Å; F214-K216 VanDerWaalsContact C-N 3.31Å; F214-K216 PolarHBondContact O-N 3.04Å; F214-A217 WeakPolarHBondContact O-CB 3.44Å; F214-A217 PolarHBondContact O-N 2.99Å; F214-A217 VanDerWaalsContact O-N 3.16Å; F214-V218 PolarHBondContact O-N 3.02Å; F214-N230 HydrophobicContact CD1-CB 4.07Å; F214-N230 HydrophobicContact CD2-CB 4.45Å; F214-N230 HydrophobicContact CE1-CB 3.56Å; F214-N230 HydrophobicContact CE2-CB 3.99Å; F214-N230 HydrophobicContact CZ-CB 3.52Å; F214-L231 HydrophobicContact CB-CB 3.95Å; F214-L231 HydrophobicContact CB-CD1 3.96Å; F214-L231 HydrophobicContact CB-CG 4.43Å; F214-V234 HydrophobicContact CD2-CG2 4.42Å; F214-V234 HydrophobicContact CE2-CG2 3.94Å |
| 215 | E | 96.4 | Very high | 94.5 | Very high | 69 Ų | 69 | 58.5 Ų | 58.5 | 32% | 0.322 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 174.8 | -74.8 | -169.7 | 130.5 | 0 | 0 | 112.3 | I211 H212 V218 T219 L231 R243 | I211-E215 HydrophobicContact CG2-CG 4.29Å; I211-E215 WeakPolarHBondContact O-CG 3.35Å; I211-E215 PolarHBondContact O-N 3.26Å; H212-E215 PolarHBondContact O-N 2.81Å; E215-V218 VanDerWaalsContact O-CG2 3.3Å; E215-V218 WeakPolarHBondContact O-CG2 3.21Å; E215-T219 WeakPolarHBondContact O-CB 3.41Å; E215-T219 PolarHBondContact O-N 2.74Å; E215-T219 PolarHBondContact O-OG1 3.4Å; E215-L231 HydrophobicContact CG-CD1 3.93Å; E215-L231 HydrophobicContact CG-CD2 4.07Å; E215-R243 IonicContact OE1-CZ 2.99Å; E215-R243 IonicContact OE1-NE 2.75Å; E215-R243 IonicContact OE1-NH2 2.68Å; E215-R243 PolarHBondContact OE1-NH2 3.11Å; E215-R243 IonicContact OE2-NH2 3.64Å; E215-R243 PolarHBondContact OE2-NH2 3.34Å |
| 216 | K | 96.5 | Very high | 94.8 | Very high | 93 Ų | 93 | 60.6 Ų | 60.6 | 40% | 0.404 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 172.9 | -72.4 | -64.2 | -178.7 | -175.5 | 0 | 111.8 | W194 H212 H213 F214 V218 T219 L220 | W194-K216 HydrophobicContact CD2-CB 4.01Å; W194-K216 HydrophobicContact CE3-CB 3.79Å; W194-K216 HydrophobicContact CE3-CG 4.25Å; W194-K216 HydrophobicContact CG-CB 4.42Å; W194-K216 HydrophobicContact CZ3-CB 4.27Å; W194-K216 HydrophobicContact CZ3-CG 4.22Å; H212-K216 WeakPolarHBondContact O-CG 3.23Å; H212-K216 PolarHBondContact O-N 3.14Å; H213-K216 PolarHBondContact O-N 3.16Å; F214-K216 VanDerWaalsContact C-N 3.31Å; F214-K216 PolarHBondContact O-N 3.04Å; K216-V218 PolarHBondContact O-N 3.12Å; K216-T219 PolarHBondContact O-N 3.39Å; K216-L220 VanDerWaalsContact O-CG 3.32Å; K216-L220 WeakPolarHBondContact O-CG 3.43Å; K216-L220 PolarHBondContact O-N 2.71Å |
| 217 | A | 96.5 | Very high | 95 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -48.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W194 H213 F214 T219 L220 D221 F224 A227 | W194-A217 HydrophobicContact CB-CB 3.92Å; H213-A217 PolarHBondContact O-N 2.94Å; F214-A217 WeakPolarHBondContact O-CB 3.44Å; F214-A217 PolarHBondContact O-N 2.99Å; F214-A217 VanDerWaalsContact O-N 3.16Å; A217-T219 VanDerWaalsContact C-N 3.3Å; A217-T219 PolarHBondContact O-N 3.03Å; A217-L220 PolarHBondContact O-N 2.76Å; A217-D221 PolarHBondContact O-N 2.8Å; A217-F224 HydrophobicContact CB-CD1 4.36Å; A217-A227 HydrophobicContact CB-CB 4.11Å |
| 218 | V | 95.9 | Very high | 95.3 | Very high | 12 Ų | 12 | 54.6 Ų | 54.6 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -72.4 | -22.5 | 179.5 | -59.3 | 0 | 0 | 0 | 0 | 113.5 | F214 E215 K216 D221 P222 A227 Y228 L231 | F214-V218 PolarHBondContact O-N 3.02Å; E215-V218 VanDerWaalsContact O-CG2 3.3Å; E215-V218 WeakPolarHBondContact O-CG2 3.21Å; K216-V218 PolarHBondContact O-N 3.12Å; V218-D221 CarbonylContact O-C 3.4Å; V218-P222 WeakPolarHBondContact O-CA 3.28Å; V218-A227 HydrophobicContact CG1-CB 3.58Å; V218-Y228 HydrophobicContact CB-CD1 4.28Å; V218-Y228 HydrophobicContact CB-CD2 4.44Å; V218-Y228 HydrophobicContact CB-CE1 3.77Å; V218-Y228 HydrophobicContact CB-CE2 3.96Å; V218-Y228 HydrophobicContact CG1-CD1 3.8Å; V218-Y228 HydrophobicContact CG1-CD2 3.88Å; V218-Y228 HydrophobicContact CG1-CE1 3.82Å; V218-Y228 HydrophobicContact CG1-CE2 3.92Å; V218-Y228 HydrophobicContact CG1-CG 3.82Å; V218-Y228 HydrophobicContact CG2-CE1 3.97Å; V218-L231 HydrophobicContact CG2-CD2 4.29Å |
| 219 | T | 96 | Very high | 95.5 | Very high | 103 Ų | 103 | 47.2 Ų | 47.2 | 63% | 0.632 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -71.9 | -38.5 | 172 | -58.9 | 0 | 0 | 0 | 0 | 111 | E215 K216 A217 | E215-T219 WeakPolarHBondContact O-CB 3.41Å; E215-T219 PolarHBondContact O-N 2.74Å; E215-T219 PolarHBondContact O-OG1 3.4Å; K216-T219 PolarHBondContact O-N 3.39Å; A217-T219 VanDerWaalsContact C-N 3.3Å; A217-T219 PolarHBondContact O-N 3.03Å |
| 220 | L | 95.1 | Very high | 95.6 | Very high | 72 Ų | 72 | 46.2 Ų | 46.2 | 38% | 0.377 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -75.1 | -37.8 | 178.9 | -70.4 | 171.9 | 0 | 0 | 0 | 112.2 | N189 A191 W194 K216 A217 | N189-L220 HydrophobicContact CB-CD2 4.1Å; A191-L220 HydrophobicContact CB-CB 3.86Å; W194-L220 HydrophobicContact CG-CD1 4.17Å; K216-L220 VanDerWaalsContact O-CG 3.32Å; K216-L220 WeakPolarHBondContact O-CG 3.43Å; K216-L220 PolarHBondContact O-N 2.71Å; A217-L220 PolarHBondContact O-N 2.76Å |
| 221 | D | 94.6 | Very high | 95.7 | Very high | 62 Ų | 62 | 46.6 Ų | 46.6 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | trans | -129.8 | 96.4 | 173.1 | -179.1 | 4.6 | 0 | 0 | 0 | 111.1 | A191 A217 V218 N223 F224 | A191-D221 HydrophobicContact CB-CB 3.8Å; A217-D221 PolarHBondContact O-N 2.8Å; V218-D221 CarbonylContact O-C 3.4Å; D221-N223 PolarHBondContact O-N 2.88Å; D221-N223 VanDerWaalsContact O-N 3.07Å; D221-N223 PolarHBondContact OD1-N 2.86Å; D221-F224 HydrophobicContact CB-CB 3.99Å; D221-F224 VanDerWaalsContact O-CB 3.29Å; D221-F224 WeakPolarHBondContact O-CB 3.44Å; D221-F224 PolarHBondContact O-N 3.46Å; D221-F224 VanDerWaalsContact O-N 3.08Å | ||
| 222 | P | 93.8 | Very high | 95.7 | Very high | 62 Ų | 62 | 46.4 Ų | 46.4 | 40% | 0.403 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -5.7 | 178.6 | -24.7 | 35.6 | 0 | 0 | 0 | 116 | V218 R250 | V218-P222 WeakPolarHBondContact O-CA 3.28Å; P222-R250 PolarHBondContact O-NH2 3.14Å |
| 223 | N | 94.7 | Very high | 95.6 | Very high | 111 Ų | 111 | 44.3 Ų | 44.3 | 59% | 0.594 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.7 | 8.3 | 176.1 | -63.9 | -36.1 | 0 | 0 | 0 | 112.4 | D221 L225 L254 | D221-N223 PolarHBondContact O-N 2.88Å; D221-N223 VanDerWaalsContact O-N 3.07Å; D221-N223 PolarHBondContact OD1-N 2.86Å; N223-L225 PolarHBondContact O-N 3.45Å; N223-L254 HydrophobicContact CB-CD2 4.38Å |
| 224 | F | 94.6 | Very high | 95.6 | Very high | 32 Ų | 32 | 43.5 Ų | 43.5 | 14% | 0.14 | 23% | 0.229 | C | C | . | . | trans | -77.6 | 85.2 | -177.5 | -161.3 | 174.1 | 0 | 0 | 0 | 112.2 | A191 V192 S195 A217 D221 D226 A227 Y228 | A191-F224 HydrophobicContact CB-CD1 4.1Å; A191-F224 HydrophobicContact CB-CE1 4.35Å; V192-F224 HydrophobicContact CG2-CE1 4.35Å; V192-F224 HydrophobicContact CG2-CZ 4.25Å; S195-F224 VanDerWaalsContact CB-CE1 3.47Å; A217-F224 HydrophobicContact CB-CD1 4.36Å; D221-F224 HydrophobicContact CB-CB 3.99Å; D221-F224 VanDerWaalsContact O-CB 3.29Å; D221-F224 WeakPolarHBondContact O-CB 3.44Å; D221-F224 PolarHBondContact O-N 3.46Å; D221-F224 VanDerWaalsContact O-N 3.08Å; F224-D226 HydrophobicContact CD2-CB 4.38Å; F224-D226 HydrophobicContact CE2-CB 4.04Å; F224-D226 PolarHBondContact O-N 3.35Å; F224-A227 HydrophobicContact CB-CB 4.09Å; F224-A227 HydrophobicContact CD1-CB 3.69Å; F224-A227 HydrophobicContact CD2-CB 4.18Å; F224-A227 HydrophobicContact CE1-CB 4.17Å; F224-A227 HydrophobicContact CG-CB 3.7Å; F224-A227 PolarHBondContact O-N 3.37Å; F224-Y228 WeakPolarHBondContact O-CD2 3.34Å; F224-Y228 PolarHBondContact O-N 3.12Å | ||
| 225 | L | 93.9 | Very high | 95.5 | Very high | 44 Ų | 44 | 43.5 Ų | 43.5 | 23% | 0.23 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -51 | -53.2 | -177 | 176.8 | 61.5 | 0 | 0 | 0 | 113.3 | N223 A227 Y228 I229 A251 L254 | N223-L225 PolarHBondContact O-N 3.45Å; L225-A227 VanDerWaalsContact C-N 3.26Å; L225-A227 PolarHBondContact O-N 3.06Å; L225-Y228 PolarHBondContact O-N 3.25Å; L225-Y228 VanDerWaalsContact O-N 3.09Å; L225-I229 HydrophobicContact CD1-CD1 4.01Å; L225-I229 HydrophobicContact CD1-CG1 4.25Å; L225-I229 HydrophobicContact CG-CD1 4Å; L225-I229 WeakPolarHBondContact O-CG1 3.47Å; L225-I229 PolarHBondContact O-N 3.24Å; L225-A251 HydrophobicContact CD1-CB 3.8Å; L225-A251 VanDerWaalsContact CD1-O 3.31Å; L225-A251 WeakPolarHBondContact CD1-O 3.26Å; L225-L254 HydrophobicContact CB-CD1 4.39Å; L225-L254 HydrophobicContact CD1-CB 4.19Å |
| 226 | D | 93.1 | Very high | 95.4 | Very high | 98 Ų | 98 | 42.5 Ų | 42.5 | 52% | 0.524 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.3 | -35 | -176.1 | -65.1 | -26 | 0 | 0 | 0 | 112.5 | F224 I229 N230 | F224-D226 HydrophobicContact CD2-CB 4.38Å; F224-D226 HydrophobicContact CE2-CB 4.04Å; F224-D226 PolarHBondContact O-N 3.35Å; D226-I229 PolarHBondContact O-N 3.07Å; D226-N230 WeakPolarHBondContact O-CB 3.28Å; D226-N230 VanDerWaalsContact O-CG 3.31Å; D226-N230 PolarHBondContact O-N 3.29Å; D226-N230 PolarHBondContact O-ND2 3.1Å; D226-N230 VanDerWaalsContact O-ND2 3.15Å |
| 227 | A | 94.5 | Very high | 95 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.7 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A217 V218 F224 L225 L231 | A217-A227 HydrophobicContact CB-CB 4.11Å; V218-A227 HydrophobicContact CG1-CB 3.58Å; F224-A227 HydrophobicContact CB-CB 4.09Å; F224-A227 HydrophobicContact CD1-CB 3.69Å; F224-A227 HydrophobicContact CD2-CB 4.18Å; F224-A227 HydrophobicContact CE1-CB 4.17Å; F224-A227 HydrophobicContact CG-CB 3.7Å; F224-A227 PolarHBondContact O-N 3.37Å; L225-A227 VanDerWaalsContact C-N 3.26Å; L225-A227 PolarHBondContact O-N 3.06Å; A227-L231 WeakPolarHBondContact O-CB 3.37Å; A227-L231 PolarHBondContact O-N 2.92Å |
| 228 | Y | 97.6 | Very high | 94.8 | Very high | 32 Ų | 32 | 45 Ų | 45 | 13% | 0.125 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67 | -40.2 | 173.4 | -79.6 | -66.9 | 0 | 0 | 0 | 112.8 | V218 F224 L225 L231 G232 R250 L254 | V218-Y228 HydrophobicContact CB-CD1 4.28Å; V218-Y228 HydrophobicContact CB-CD2 4.44Å; V218-Y228 HydrophobicContact CB-CE1 3.77Å; V218-Y228 HydrophobicContact CB-CE2 3.96Å; V218-Y228 HydrophobicContact CG1-CD1 3.8Å; V218-Y228 HydrophobicContact CG1-CD2 3.88Å; V218-Y228 HydrophobicContact CG1-CE1 3.82Å; V218-Y228 HydrophobicContact CG1-CE2 3.92Å; V218-Y228 HydrophobicContact CG1-CG 3.82Å; V218-Y228 HydrophobicContact CG2-CE1 3.97Å; F224-Y228 WeakPolarHBondContact O-CD2 3.34Å; F224-Y228 PolarHBondContact O-N 3.12Å; L225-Y228 PolarHBondContact O-N 3.25Å; L225-Y228 VanDerWaalsContact O-N 3.09Å; Y228-L231 PolarHBondContact O-N 3.03Å; Y228-G232 PolarHBondContact O-N 2.86Å; Y228-R250 HydrophobicContact CD1-CB 3.97Å; Y228-R250 HydrophobicContact CD1-CG 3.83Å; Y228-R250 HydrophobicContact CD2-CG 3.97Å; Y228-R250 HydrophobicContact CE1-CB 3.98Å; Y228-R250 HydrophobicContact CE1-CG 3.46Å; Y228-R250 VanDerWaalsContact CE1-CG 3.46Å; Y228-R250 HydrophobicContact CE2-CG 3.59Å; Y228-R250 HydrophobicContact CG-CB 4.34Å; Y228-R250 HydrophobicContact CG-CG 4.07Å; Y228-L254 HydrophobicContact CD2-CD1 3.93Å; Y228-L254 HydrophobicContact CE2-CD1 4.2Å |
| 229 | I | 96.7 | Very high | 94.5 | Very high | 19 Ų | 19 | 52.4 Ų | 52.4 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -49.5 | 177 | -64 | 175.6 | 0 | 0 | 0 | 110 | L225 D226 L231 G232 N233 A251 V261 | L225-I229 HydrophobicContact CD1-CD1 4.01Å; L225-I229 HydrophobicContact CD1-CG1 4.25Å; L225-I229 HydrophobicContact CG-CD1 4Å; L225-I229 WeakPolarHBondContact O-CG1 3.47Å; L225-I229 PolarHBondContact O-N 3.24Å; D226-I229 PolarHBondContact O-N 3.07Å; I229-L231 PolarHBondContact O-N 2.68Å; I229-G232 PolarHBondContact O-N 2.92Å; I229-N233 VanDerWaalsContact O-CG 3.27Å; I229-N233 PolarHBondContact O-N 2.79Å; I229-A251 HydrophobicContact CG1-CB 3.86Å; I229-V261 HydrophobicContact CD1-CG2 3.66Å; I229-V261 HydrophobicContact CG1-CG2 3.68Å; I229-V261 HydrophobicContact CG2-CG2 4.35Å |
| 230 | N | 96 | Very high | 94.4 | Very high | 52 Ų | 52 | 49.3 Ų | 49.3 | 28% | 0.278 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.4 | -40 | 178.8 | -70.6 | -32.7 | 0 | 0 | 0 | 112.1 | F214 D226 G232 N233 V234 | F214-N230 HydrophobicContact CD1-CB 4.07Å; F214-N230 HydrophobicContact CD2-CB 4.45Å; F214-N230 HydrophobicContact CE1-CB 3.56Å; F214-N230 HydrophobicContact CE2-CB 3.99Å; F214-N230 HydrophobicContact CZ-CB 3.52Å; D226-N230 WeakPolarHBondContact O-CB 3.28Å; D226-N230 VanDerWaalsContact O-CG 3.31Å; D226-N230 PolarHBondContact O-N 3.29Å; D226-N230 PolarHBondContact O-ND2 3.1Å; D226-N230 VanDerWaalsContact O-ND2 3.15Å; N230-G232 PolarHBondContact O-N 2.85Å; N230-N233 PolarHBondContact O-N 3.27Å; N230-V234 WeakPolarHBondContact O-CG2 3.36Å; N230-V234 PolarHBondContact O-N 2.84Å |
| 231 | L | 97.3 | Very high | 94.3 | Very high | 9 Ų | 9 | 47.4 Ų | 47.4 | 5% | 0.047 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.9 | -46.6 | 173.6 | -179.2 | 57.6 | 0 | 0 | 0 | 111.3 | I211 F214 E215 V218 A227 Y228 I229 N233 V234 L235 A247 | I211-L231 HydrophobicContact CG2-CD1 4.13Å; F214-L231 HydrophobicContact CB-CB 3.95Å; F214-L231 HydrophobicContact CB-CD1 3.96Å; F214-L231 HydrophobicContact CB-CG 4.43Å; E215-L231 HydrophobicContact CG-CD1 3.93Å; E215-L231 HydrophobicContact CG-CD2 4.07Å; V218-L231 HydrophobicContact CG2-CD2 4.29Å; A227-L231 WeakPolarHBondContact O-CB 3.37Å; A227-L231 PolarHBondContact O-N 2.92Å; Y228-L231 PolarHBondContact O-N 3.03Å; I229-L231 PolarHBondContact O-N 2.68Å; L231-N233 PolarHBondContact O-N 3.33Å; L231-V234 PolarHBondContact O-N 2.86Å; L231-L235 HydrophobicContact CD1-CD1 3.71Å; L231-L235 HydrophobicContact CD1-CG 3.99Å; L231-L235 HydrophobicContact CD2-CD1 4.49Å; L231-L235 HydrophobicContact CG-CD1 3.67Å; L231-L235 HydrophobicContact CG-CG 4.38Å; L231-L235 VanDerWaalsContact O-CB 3.31Å; L231-L235 WeakPolarHBondContact O-CB 3.33Å; L231-L235 WeakPolarHBondContact O-CD1 3.4Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 2.93Å; L231-A247 HydrophobicContact CB-CB 4.41Å; L231-A247 HydrophobicContact CD2-CB 4.29Å; L231-A247 HydrophobicContact CG-CB 4.17Å |
| 232 | G | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y228 I229 N230 L235 K236 Y248 | Y228-G232 PolarHBondContact O-N 2.86Å; I229-G232 PolarHBondContact O-N 2.92Å; N230-G232 PolarHBondContact O-N 2.85Å; G232-L235 PolarHBondContact O-N 3.03Å; G232-K236 WeakPolarHBondContact O-CB 3.26Å; G232-K236 PolarHBondContact O-N 3.35Å; G232-Y248 PolarHBondContact O-OH 3.19Å |
| 233 | N | 95 | Very high | 94.3 | Very high | 41 Ų | 41 | 52 Ų | 52 | 22% | 0.219 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.5 | -50.1 | 178.4 | -67.3 | -17 | 0 | 0 | 0 | 111.5 | I229 N230 L231 L235 K236 E237 Y248 N264 | I229-N233 VanDerWaalsContact O-CG 3.27Å; I229-N233 PolarHBondContact O-N 2.79Å; N230-N233 PolarHBondContact O-N 3.27Å; L231-N233 PolarHBondContact O-N 3.33Å; N233-L235 PolarHBondContact O-N 3.13Å; N233-K236 WeakPolarHBondContact O-CB 3.33Å; N233-K236 PolarHBondContact O-N 2.99Å; N233-E237 PolarHBondContact O-N 3.38Å; N233-Y248 VanDerWaalsContact CA-OH 3.24Å; N233-Y248 WeakPolarHBondContact CA-OH 3.3Å; N233-Y248 PolarHBondContact N-OH 3.13Å; N233-Y248 WeakPolarHBondContact OD1-CE1 3.22Å; N233-Y248 PolarHBondContact OD1-OH 3.4Å; N233-N264 PolarHBondContact OD1-ND2 3.06Å |
| 234 | V | 95.1 | Very high | 94.4 | Very high | 1 Ų | 1 | 46.7 Ų | 46.7 | 1% | 0.006 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67 | -37.1 | -179.9 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | N202 I207 A210 I211 F214 N230 L231 K236 E237 A238 | N202-V234 HydrophobicContact CB-CG2 4.25Å; N202-V234 VanDerWaalsContact CG-CG2 3.5Å; N202-V234 WeakPolarHBondContact OD1-CG2 3.33Å; I207-V234 HydrophobicContact CG2-CG1 3.83Å; A210-V234 HydrophobicContact CB-CG1 4.18Å; I211-V234 HydrophobicContact CD1-CG1 4.22Å; I211-V234 HydrophobicContact CG1-CB 4.42Å; I211-V234 HydrophobicContact CG1-CG1 3.62Å; F214-V234 HydrophobicContact CD2-CG2 4.42Å; F214-V234 HydrophobicContact CE2-CG2 3.94Å; N230-V234 WeakPolarHBondContact O-CG2 3.36Å; N230-V234 PolarHBondContact O-N 2.84Å; L231-V234 PolarHBondContact O-N 2.86Å; V234-K236 VanDerWaalsContact C-N 3.34Å; V234-E237 PolarHBondContact O-N 3.33Å; V234-A238 WeakPolarHBondContact O-CB 3.24Å; V234-A238 PolarHBondContact O-N 3.03Å |
| 235 | L | 96 | Very high | 94.5 | Very high | 2 Ų | 2 | 46 Ų | 46 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -35.9 | 175.2 | -73.6 | 167.6 | 0 | 0 | 0 | 112.3 | I211 L231 G232 N233 A238 R239 I240 R243 A244 A247 | I211-L235 HydrophobicContact CD1-CD2 3.86Å; I211-L235 HydrophobicContact CG1-CD2 4.11Å; I211-L235 HydrophobicContact CG1-CG 4.46Å; I211-L235 HydrophobicContact CG2-CD2 4.11Å; L231-L235 HydrophobicContact CD1-CD1 3.71Å; L231-L235 HydrophobicContact CD1-CG 3.99Å; L231-L235 HydrophobicContact CD2-CD1 4.49Å; L231-L235 HydrophobicContact CG-CD1 3.67Å; L231-L235 HydrophobicContact CG-CG 4.38Å; L231-L235 VanDerWaalsContact O-CB 3.31Å; L231-L235 WeakPolarHBondContact O-CB 3.33Å; L231-L235 WeakPolarHBondContact O-CD1 3.4Å; L231-L235 WeakPolarHBondContact O-CG 3.45Å; L231-L235 PolarHBondContact O-N 2.93Å; G232-L235 PolarHBondContact O-N 3.03Å; N233-L235 PolarHBondContact O-N 3.13Å; L235-A238 PolarHBondContact O-N 2.98Å; L235-R239 PolarHBondContact O-N 2.88Å; L235-I240 HydrophobicContact CD2-CB 4.1Å; L235-I240 HydrophobicContact CD2-CD1 4.08Å; L235-I240 HydrophobicContact CD2-CG2 4.38Å; L235-I240 PolarHBondContact O-N 3.16Å; L235-R243 HydrophobicContact CD1-CB 3.78Å; L235-R243 HydrophobicContact CD2-CB 4.14Å; L235-A244 HydrophobicContact CB-CB 3.73Å; L235-A247 HydrophobicContact CD1-CB 4.41Å |
| 236 | K | 93.4 | Very high | 94.6 | Very high | 48 Ų | 48 | 46.6 Ų | 46.6 | 21% | 0.209 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -48.4 | 171.9 | 172.1 | -173.7 | 169.7 | -170.2 | 0 | 110.4 | G232 N233 V234 A238 R239 A244 V268 | G232-K236 WeakPolarHBondContact O-CB 3.26Å; G232-K236 PolarHBondContact O-N 3.35Å; N233-K236 WeakPolarHBondContact O-CB 3.33Å; N233-K236 PolarHBondContact O-N 2.99Å; V234-K236 VanDerWaalsContact C-N 3.34Å; K236-A238 VanDerWaalsContact C-N 3.27Å; K236-A238 PolarHBondContact O-N 2.71Å; K236-R239 WeakPolarHBondContact O-CA 3.4Å; K236-R239 PolarHBondContact O-N 3.24Å; K236-A244 HydrophobicContact CB-CB 4.39Å; K236-V268 HydrophobicContact CB-CG2 4Å; K236-V268 HydrophobicContact CD-CG2 3.92Å; K236-V268 HydrophobicContact CG-CG2 3.83Å |
| 237 | E | 89.7 | Confident | 94.8 | Very high | 117 Ų | 117 | 42.2 Ų | 42.2 | 55% | 0.547 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.5 | -38 | 177 | -72.2 | 173.9 | -168.8 | 0 | 0 | 112.1 | N233 V234 R239 | N233-E237 PolarHBondContact O-N 3.38Å; V234-E237 PolarHBondContact O-N 3.33Å; E237-R239 PolarHBondContact O-N 3.42Å |
| 238 | A | 90.8 | Very high | 94.9 | Very high | 29 Ų | 29 | 42.2 Ų | 42.2 | 24% | 0.24 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -2.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | I207 I211 V234 L235 K236 I240 | I207-A238 HydrophobicContact CG2-CB 3.76Å; I211-A238 HydrophobicContact CD1-CB 4.2Å; V234-A238 WeakPolarHBondContact O-CB 3.24Å; V234-A238 PolarHBondContact O-N 3.03Å; L235-A238 PolarHBondContact O-N 2.98Å; K236-A238 VanDerWaalsContact C-N 3.27Å; K236-A238 PolarHBondContact O-N 2.71Å; A238-I240 VanDerWaalsContact C-N 3.25Å; A238-I240 HydrophobicContact CB-CD1 3.96Å; A238-I240 HydrophobicContact CB-CG1 3.9Å; A238-I240 PolarHBondContact O-N 2.84Å |
| 239 | R | 90.5 | Very high | 94.9 | Very high | 167 Ų | 167 | 44.8 Ų | 44.8 | 63% | 0.63 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 31.4 | -174.1 | -50.3 | -168.7 | 83.7 | -154.9 | 3.1 | 114.4 | L235 K236 E237 F241 | L235-R239 PolarHBondContact O-N 2.88Å; K236-R239 WeakPolarHBondContact O-CA 3.4Å; K236-R239 PolarHBondContact O-N 3.24Å; E237-R239 PolarHBondContact O-N 3.42Å; R239-F241 HydrophobicContact CB-CE1 4.22Å; R239-F241 HydrophobicContact CB-CE2 4.33Å; R239-F241 HydrophobicContact CB-CZ 3.91Å; R239-F241 HydrophobicContact CG-CZ 4.24Å; R239-F241 PolarHBondContact O-N 2.94Å |
| 240 | I | 93.7 | Very high | 94.9 | Very high | 38 Ų | 38 | 48.6 Ų | 48.6 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | trans | -96.3 | 68.1 | 175.9 | -48.2 | 176.2 | 0 | 0 | 0 | 108.7 | W208 I211 L235 A238 D242 R243 A244 | W208-I240 HydrophobicContact CH2-CD1 3.53Å; W208-I240 HydrophobicContact CZ3-CD1 3.61Å; I211-I240 HydrophobicContact CD1-CD1 4.32Å; L235-I240 HydrophobicContact CD2-CB 4.1Å; L235-I240 HydrophobicContact CD2-CD1 4.08Å; L235-I240 HydrophobicContact CD2-CG2 4.38Å; L235-I240 PolarHBondContact O-N 3.16Å; A238-I240 VanDerWaalsContact C-N 3.25Å; A238-I240 HydrophobicContact CB-CD1 3.96Å; A238-I240 HydrophobicContact CB-CG1 3.9Å; A238-I240 PolarHBondContact O-N 2.84Å; I240-D242 PolarHBondContact O-N 2.95Å; I240-R243 HydrophobicContact CG2-CB 4.07Å; I240-R243 HydrophobicContact CG2-CG 4.22Å; I240-R243 PolarHBondContact O-N 3.43Å; I240-A244 PolarHBondContact O-N 2.88Å; I240-A244 VanDerWaalsContact O-N 3.07Å | ||
| 241 | F | 93.8 | Very high | 94.9 | Very high | 32 Ų | 32 | 46.1 Ų | 46.1 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.6 | -42.1 | -163.7 | -60 | -48.6 | 0 | 0 | 0 | 114.6 | R239 R243 A244 V245 V268 E271 Q272 | R239-F241 HydrophobicContact CB-CE1 4.22Å; R239-F241 HydrophobicContact CB-CE2 4.33Å; R239-F241 HydrophobicContact CB-CZ 3.91Å; R239-F241 HydrophobicContact CG-CZ 4.24Å; R239-F241 PolarHBondContact O-N 2.94Å; F241-R243 VanDerWaalsContact C-N 3.28Å; F241-R243 PolarHBondContact O-N 3.45Å; F241-A244 WeakPolarHBondContact O-CB 3.42Å; F241-A244 PolarHBondContact O-N 3.44Å; F241-A244 VanDerWaalsContact O-N 3.1Å; F241-V245 WeakPolarHBondContact O-CG2 3.33Å; F241-V245 PolarHBondContact O-N 3.24Å; F241-V268 HydrophobicContact CB-CG1 3.72Å; F241-V268 HydrophobicContact CD1-CG1 3.7Å; F241-V268 HydrophobicContact CG-CG1 4.02Å; F241-E271 HydrophobicContact CE1-CB 4.05Å; F241-E271 VanDerWaalsContact CE1-OE2 3.26Å; F241-E271 WeakPolarHBondContact CE1-OE2 3.29Å; F241-E271 HydrophobicContact CE2-CB 4.41Å; F241-E271 HydrophobicContact CZ-CB 3.81Å; F241-E271 WeakPolarHBondContact CZ-OE2 3.14Å; F241-Q272 HydrophobicContact CB-CG 3.72Å; F241-Q272 HydrophobicContact CD2-CG 3.75Å; F241-Q272 HydrophobicContact CG-CG 3.86Å |
| 242 | D | 92.9 | Very high | 94.8 | Very high | 127 Ų | 127 | 46.4 Ų | 46.4 | 68% | 0.679 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -60.3 | -39.4 | -177.8 | -59.6 | -31.2 | 0 | 0 | 0 | 112.2 | I240 A246 Q272 | I240-D242 PolarHBondContact O-N 2.95Å; D242-A246 PolarHBondContact O-N 3.32Å; D242-A246 VanDerWaalsContact O-N 3.16Å; D242-Q272 PolarHBondContact OD1-NE2 3.37Å |
| 243 | R | 95.6 | Very high | 94.8 | Very high | 92 Ų | 92 | 49.7 Ų | 49.7 | 35% | 0.347 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -75.9 | -35.1 | 177 | -70.3 | 172.5 | 59.3 | -157.4 | 2.1 | 111.6 | E215 L235 I240 F241 A246 A247 | E215-R243 IonicContact OE1-CZ 2.99Å; E215-R243 IonicContact OE1-NE 2.75Å; E215-R243 IonicContact OE1-NH2 2.68Å; E215-R243 PolarHBondContact OE1-NH2 3.11Å; E215-R243 IonicContact OE2-NH2 3.64Å; E215-R243 PolarHBondContact OE2-NH2 3.34Å; L235-R243 HydrophobicContact CD1-CB 3.78Å; L235-R243 HydrophobicContact CD2-CB 4.14Å; I240-R243 HydrophobicContact CG2-CB 4.07Å; I240-R243 HydrophobicContact CG2-CG 4.22Å; I240-R243 PolarHBondContact O-N 3.43Å; F241-R243 VanDerWaalsContact C-N 3.28Å; F241-R243 PolarHBondContact O-N 3.45Å; R243-A246 PolarHBondContact O-N 2.85Å; R243-A247 PolarHBondContact O-N 3.04Å |
| 244 | A | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L235 K236 I240 F241 A246 A247 Y248 V268 | L235-A244 HydrophobicContact CB-CB 3.73Å; K236-A244 HydrophobicContact CB-CB 4.39Å; I240-A244 PolarHBondContact O-N 2.88Å; I240-A244 VanDerWaalsContact O-N 3.07Å; F241-A244 WeakPolarHBondContact O-CB 3.42Å; F241-A244 PolarHBondContact O-N 3.44Å; F241-A244 VanDerWaalsContact O-N 3.1Å; A244-A246 PolarHBondContact O-N 3.27Å; A244-A247 PolarHBondContact O-N 2.92Å; A244-Y248 HydrophobicContact CB-CE2 4.34Å; A244-Y248 WeakPolarHBondContact O-CD2 3.29Å; A244-Y248 PolarHBondContact O-N 3.16Å; A244-V268 HydrophobicContact CB-CG2 4.34Å |
| 245 | V | 96.4 | Very high | 94.7 | Very high | 17 Ų | 17 | 52.2 Ų | 52.2 | 10% | 0.103 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.5 | -47.8 | 174.7 | 170.9 | 0 | 0 | 0 | 0 | 110.6 | F241 A247 Y248 L249 L265 V268 Y269 | F241-V245 WeakPolarHBondContact O-CG2 3.33Å; F241-V245 PolarHBondContact O-N 3.24Å; V245-A247 VanDerWaalsContact C-N 3.34Å; V245-A247 PolarHBondContact O-N 3.37Å; V245-Y248 PolarHBondContact O-N 2.94Å; V245-L249 HydrophobicContact CG1-CD1 3.73Å; V245-L249 HydrophobicContact CG1-CG 4.16Å; V245-L249 WeakPolarHBondContact O-CB 3.43Å; V245-L249 VanDerWaalsContact O-CG 3.31Å; V245-L249 WeakPolarHBondContact O-CG 3.14Å; V245-L249 PolarHBondContact O-N 3.45Å; V245-L265 HydrophobicContact CB-CD1 4.22Å; V245-L265 HydrophobicContact CG1-CD1 4.07Å; V245-L265 HydrophobicContact CG2-CD1 3.95Å; V245-V268 HydrophobicContact CG2-CB 4.39Å; V245-V268 HydrophobicContact CG2-CG1 3.65Å; V245-Y269 HydrophobicContact CG1-CE1 3.98Å; V245-Y269 HydrophobicContact CG2-CD1 4.27Å; V245-Y269 HydrophobicContact CG2-CE1 3.79Å |
| 246 | A | 96 | Very high | 94.5 | Very high | 58 Ų | 58 | 56 Ų | 56 | 48% | 0.479 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.6 | -42.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D242 R243 A244 R250 | D242-A246 PolarHBondContact O-N 3.32Å; D242-A246 VanDerWaalsContact O-N 3.16Å; R243-A246 PolarHBondContact O-N 2.85Å; A244-A246 PolarHBondContact O-N 3.27Å; A246-R250 WeakPolarHBondContact O-CB 3.3Å; A246-R250 PolarHBondContact O-N 3.4Å |
| 247 | A | 96.7 | Very high | 94.5 | Very high | 6 Ų | 6 | 59 Ų | 59 | 5% | 0.05 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.5 | -45.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L231 L235 R243 A244 V245 R250 A251 | L231-A247 HydrophobicContact CB-CB 4.41Å; L231-A247 HydrophobicContact CD2-CB 4.29Å; L231-A247 HydrophobicContact CG-CB 4.17Å; L235-A247 HydrophobicContact CD1-CB 4.41Å; R243-A247 PolarHBondContact O-N 3.04Å; A244-A247 PolarHBondContact O-N 2.92Å; V245-A247 VanDerWaalsContact C-N 3.34Å; V245-A247 PolarHBondContact O-N 3.37Å; A247-R250 PolarHBondContact O-N 2.84Å; A247-A251 PolarHBondContact O-N 2.9Å |
| 248 | Y | 97.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.8 | -42.6 | 177.1 | -67.9 | -47.9 | 0 | 0 | 0 | 113 | G232 N233 A244 V245 R250 A251 L252 V261 N264 L265 V268 | G232-Y248 PolarHBondContact O-OH 3.19Å; N233-Y248 VanDerWaalsContact CA-OH 3.24Å; N233-Y248 WeakPolarHBondContact CA-OH 3.3Å; N233-Y248 PolarHBondContact N-OH 3.13Å; N233-Y248 WeakPolarHBondContact OD1-CE1 3.22Å; N233-Y248 PolarHBondContact OD1-OH 3.4Å; A244-Y248 HydrophobicContact CB-CE2 4.34Å; A244-Y248 WeakPolarHBondContact O-CD2 3.29Å; A244-Y248 PolarHBondContact O-N 3.16Å; V245-Y248 PolarHBondContact O-N 2.94Å; Y248-R250 PolarHBondContact O-N 3.35Å; Y248-A251 WeakPolarHBondContact O-CB 3.27Å; Y248-A251 PolarHBondContact O-N 3.02Å; Y248-L252 WeakPolarHBondContact O-CG 3.43Å; Y248-L252 PolarHBondContact O-N 2.76Å; Y248-V261 HydrophobicContact CD1-CG1 3.83Å; Y248-V261 HydrophobicContact CG-CG1 4.26Å; Y248-N264 HydrophobicContact CE1-CB 3.96Å; Y248-N264 HydrophobicContact CE2-CB 4.23Å; Y248-L265 HydrophobicContact CD2-CB 4.22Å; Y248-L265 HydrophobicContact CD2-CD1 4.21Å; Y248-L265 HydrophobicContact CG-CB 4.4Å; Y248-V268 HydrophobicContact CE2-CG2 3.91Å |
| 249 | L | 96.7 | Very high | 94.9 | Very high | 86 Ų | 86 | 55.3 Ų | 55.3 | 45% | 0.45 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 175.7 | -72 | 177 | 0 | 0 | 0 | 111.2 | V245 L252 S253 L265 | V245-L249 HydrophobicContact CG1-CD1 3.73Å; V245-L249 HydrophobicContact CG1-CG 4.16Å; V245-L249 WeakPolarHBondContact O-CB 3.43Å; V245-L249 VanDerWaalsContact O-CG 3.31Å; V245-L249 WeakPolarHBondContact O-CG 3.14Å; V245-L249 PolarHBondContact O-N 3.45Å; L249-L252 PolarHBondContact O-N 3.43Å; L249-S253 PolarHBondContact O-N 3.49Å; L249-L265 HydrophobicContact CD2-CD2 3.89Å; L249-L265 HydrophobicContact CG-CD2 4.49Å |
| 250 | R | 96.4 | Very high | 95 | Very high | 98 Ų | 98 | 50.1 Ų | 50.1 | 37% | 0.37 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.4 | -43.7 | 174.2 | -172.5 | 59 | -177.8 | 173.4 | 5.6 | 111.7 | P222 Y228 A246 A247 Y248 L252 S253 L254 | P222-R250 PolarHBondContact O-NH2 3.14Å; Y228-R250 HydrophobicContact CD1-CB 3.97Å; Y228-R250 HydrophobicContact CD1-CG 3.83Å; Y228-R250 HydrophobicContact CD2-CG 3.97Å; Y228-R250 HydrophobicContact CE1-CB 3.98Å; Y228-R250 HydrophobicContact CE1-CG 3.46Å; Y228-R250 VanDerWaalsContact CE1-CG 3.46Å; Y228-R250 HydrophobicContact CE2-CG 3.59Å; Y228-R250 HydrophobicContact CG-CB 4.34Å; Y228-R250 HydrophobicContact CG-CG 4.07Å; A246-R250 WeakPolarHBondContact O-CB 3.3Å; A246-R250 PolarHBondContact O-N 3.4Å; A247-R250 PolarHBondContact O-N 2.84Å; Y248-R250 PolarHBondContact O-N 3.35Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-L252 PolarHBondContact O-N 2.91Å; R250-S253 WeakPolarHBondContact O-CB 3.2Å; R250-S253 PolarHBondContact O-N 3.44Å; R250-S253 VanDerWaalsContact O-N 3.14Å; R250-S253 PolarHBondContact O-OG 2.85Å; R250-L254 PolarHBondContact O-N 3.12Å |
| 251 | A | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.4 | -43.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L225 I229 A247 Y248 S253 L254 S255 V261 | L225-A251 HydrophobicContact CD1-CB 3.8Å; L225-A251 VanDerWaalsContact CD1-O 3.31Å; L225-A251 WeakPolarHBondContact CD1-O 3.26Å; I229-A251 HydrophobicContact CG1-CB 3.86Å; A247-A251 PolarHBondContact O-N 2.9Å; Y248-A251 WeakPolarHBondContact O-CB 3.27Å; Y248-A251 PolarHBondContact O-N 3.02Å; A251-S253 VanDerWaalsContact C-N 3.32Å; A251-S253 PolarHBondContact O-N 3.32Å; A251-L254 WeakPolarHBondContact O-CB 3.42Å; A251-L254 PolarHBondContact O-N 3.07Å; A251-L254 VanDerWaalsContact O-N 3.14Å; A251-S255 PolarHBondContact O-N 3.04Å; A251-V261 HydrophobicContact CB-CG1 4.26Å |
| 252 | L | 95.5 | Very high | 95.3 | Very high | 15 Ų | 15 | 48 Ų | 48 | 8% | 0.079 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -68.3 | -27.9 | 176.4 | -69.6 | 174.3 | 0 | 0 | 0 | 113.1 | Y248 L249 R250 L254 S255 P256 H258 V261 H262 L265 | Y248-L252 WeakPolarHBondContact O-CG 3.43Å; Y248-L252 PolarHBondContact O-N 2.76Å; L249-L252 PolarHBondContact O-N 3.43Å; R250-L252 VanDerWaalsContact C-N 3.32Å; R250-L252 PolarHBondContact O-N 2.91Å; L252-L254 VanDerWaalsContact C-N 3.26Å; L252-L254 PolarHBondContact O-N 3.03Å; L252-S255 CarbonylContact O-C 3.59Å; L252-P256 WeakPolarHBondContact O-CA 3.49Å; L252-P256 WeakPolarHBondContact O-CD 3.4Å; L252-P256 WeakPolarHBondContact O-CG 3.33Å; L252-H258 HydrophobicContact CD2-CB 4.33Å; L252-V261 HydrophobicContact CD1-CG1 4.18Å; L252-V261 HydrophobicContact CD2-CB 3.9Å; L252-V261 HydrophobicContact CD2-CG1 3.78Å; L252-V261 HydrophobicContact CG-CB 4.34Å; L252-V261 HydrophobicContact CG-CG1 3.64Å; L252-H262 WeakPolarHBondContact CD2-NE2 3.3Å; L252-L265 HydrophobicContact CD1-CD2 3.89Å |
| 253 | S | 95.6 | Very high | 95.4 | Very high | 69 Ų | 69 | 42.1 Ų | 42.1 | 48% | 0.483 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.6 | -29.1 | 172.1 | 77.8 | 0 | 0 | 0 | 0 | 112.7 | L249 R250 A251 | L249-S253 PolarHBondContact O-N 3.49Å; R250-S253 WeakPolarHBondContact O-CB 3.2Å; R250-S253 PolarHBondContact O-N 3.44Å; R250-S253 VanDerWaalsContact O-N 3.14Å; R250-S253 PolarHBondContact O-OG 2.85Å; A251-S253 VanDerWaalsContact C-N 3.32Å; A251-S253 PolarHBondContact O-N 3.32Å |
| 254 | L | 94.3 | Very high | 95.4 | Very high | 57 Ų | 57 | 39.5 Ų | 39.5 | 30% | 0.298 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -83.9 | -37.1 | 175.9 | -62.6 | 171.6 | 0 | 0 | 0 | 111.6 | N223 L225 Y228 R250 A251 L252 | N223-L254 HydrophobicContact CB-CD2 4.38Å; L225-L254 HydrophobicContact CB-CD1 4.39Å; L225-L254 HydrophobicContact CD1-CB 4.19Å; Y228-L254 HydrophobicContact CD2-CD1 3.93Å; Y228-L254 HydrophobicContact CE2-CD1 4.2Å; R250-L254 PolarHBondContact O-N 3.12Å; A251-L254 WeakPolarHBondContact O-CB 3.42Å; A251-L254 PolarHBondContact O-N 3.07Å; A251-L254 VanDerWaalsContact O-N 3.14Å; L252-L254 VanDerWaalsContact C-N 3.26Å; L252-L254 PolarHBondContact O-N 3.03Å |
| 255 | S | 93.9 | Very high | 95.4 | Very high | 39 Ų | 39 | 39.7 Ų | 39.7 | 27% | 0.273 | 23% | 0.227 | S | C | . | . | trans | -137.5 | 89.6 | 175.8 | -171 | 0 | 0 | 0 | 0 | 111.7 | A251 L252 N257 H258 | A251-S255 PolarHBondContact O-N 3.04Å; L252-S255 CarbonylContact O-C 3.59Å; S255-N257 PolarHBondContact O-N 2.91Å; S255-H258 PolarHBondContact O-N 2.78Å | ||
| 256 | P | 92.8 | Very high | 95.4 | Very high | 80 Ų | 80 | 38.9 Ų | 38.9 | 52% | 0.519 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -25.1 | -173.8 | -26.8 | 35.1 | 0 | 0 | 0 | 115.4 | L252 H262 | L252-P256 WeakPolarHBondContact O-CA 3.49Å; L252-P256 WeakPolarHBondContact O-CD 3.4Å; L252-P256 WeakPolarHBondContact O-CG 3.33Å; P256-H262 PolarHBondContact O-NE2 2.8Å |
| 257 | N | 93.5 | Very high | 95.3 | Very high | 111 Ų | 111 | 36.8 Ų | 36.8 | 59% | 0.594 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.7 | 23.7 | -173.5 | -66.7 | -22.4 | 0 | 0 | 0 | 113.1 | S255 A259 L288 | S255-N257 PolarHBondContact O-N 2.91Å; N257-A259 PolarHBondContact O-N 3.22Å; N257-L288 HydrophobicContact CB-CD2 3.94Å |
| 258 | H | 93.8 | Very high | 95.3 | Very high | 61 Ų | 61 | 36.5 Ų | 36.5 | 28% | 0.282 | 20% | 0.202 | S | C | . | . | trans | -86.4 | 92.5 | -178.9 | -158.9 | -45 | 0 | 0 | 0 | 112.1 | L252 S255 V260 V261 H262 | L252-H258 HydrophobicContact CD2-CB 4.33Å; S255-H258 PolarHBondContact O-N 2.78Å; H258-V260 PolarHBondContact O-N 2.87Å; H258-V261 HydrophobicContact CB-CB 4.21Å; H258-V261 HydrophobicContact CB-CG2 4.09Å; H258-V261 PolarHBondContact O-N 2.89Å; H258-V261 VanDerWaalsContact O-N 3.11Å; H258-H262 PolarHBondContact O-CD2 3.35Å; H258-H262 PolarHBondContact O-N 3.09Å | ||
| 259 | A | 94.2 | Very high | 95.2 | Very high | 8 Ų | 8 | 37.8 Ų | 37.8 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -53.1 | -46 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N257 V261 H262 G263 A285 L288 Q289 | N257-A259 PolarHBondContact O-N 3.22Å; A259-V261 VanDerWaalsContact C-N 3.31Å; A259-V261 PolarHBondContact O-N 3.21Å; A259-H262 WeakPolarHBondContact O-CB 3.33Å; A259-H262 PolarHBondContact O-N 3.47Å; A259-G263 PolarHBondContact O-N 2.77Å; A259-A285 WeakPolarHBondContact O-CB 3.41Å; A259-L288 HydrophobicContact CB-CB 3.8Å; A259-Q289 HydrophobicContact CB-CB 3.56Å |
| 260 | V | 93.8 | Very high | 95.1 | Very high | 59 Ų | 59 | 37 Ų | 37 | 36% | 0.358 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -61 | -37.2 | 179.9 | -179.7 | 0 | 0 | 0 | 0 | 112.4 | H258 G263 N264 F292 | H258-V260 PolarHBondContact O-N 2.87Å; V260-G263 PolarHBondContact O-N 3.12Å; V260-N264 PolarHBondContact O-N 3.36Å; V260-F292 HydrophobicContact CG2-CZ 4.5Å |
| 261 | V | 95.4 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -70.7 | -40.2 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 110.7 | I229 Y248 A251 L252 H258 A259 G263 N264 L265 | I229-V261 HydrophobicContact CD1-CG2 3.66Å; I229-V261 HydrophobicContact CG1-CG2 3.68Å; I229-V261 HydrophobicContact CG2-CG2 4.35Å; Y248-V261 HydrophobicContact CD1-CG1 3.83Å; Y248-V261 HydrophobicContact CG-CG1 4.26Å; A251-V261 HydrophobicContact CB-CG1 4.26Å; L252-V261 HydrophobicContact CD1-CG1 4.18Å; L252-V261 HydrophobicContact CD2-CB 3.9Å; L252-V261 HydrophobicContact CD2-CG1 3.78Å; L252-V261 HydrophobicContact CG-CB 4.34Å; L252-V261 HydrophobicContact CG-CG1 3.64Å; H258-V261 HydrophobicContact CB-CB 4.21Å; H258-V261 HydrophobicContact CB-CG2 4.09Å; H258-V261 PolarHBondContact O-N 2.89Å; H258-V261 VanDerWaalsContact O-N 3.11Å; A259-V261 VanDerWaalsContact C-N 3.31Å; A259-V261 PolarHBondContact O-N 3.21Å; V261-G263 VanDerWaalsContact C-N 3.32Å; V261-G263 PolarHBondContact O-N 3.3Å; V261-N264 PolarHBondContact O-N 3.28Å; V261-L265 VanDerWaalsContact O-CB 3.27Å; V261-L265 WeakPolarHBondContact O-CB 3.24Å; V261-L265 PolarHBondContact O-N 3.14Å |
| 262 | H | 97 | Very high | 94.7 | Very high | 25 Ų | 25 | 39.2 Ų | 39.2 | 12% | 0.116 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.4 | -45 | 170 | -77.4 | -75.6 | 0 | 0 | 0 | 111.1 | L252 P256 H258 A259 N264 L265 A266 T281 A285 L288 | L252-H262 WeakPolarHBondContact CD2-NE2 3.3Å; P256-H262 PolarHBondContact O-NE2 2.8Å; H258-H262 PolarHBondContact O-CD2 3.35Å; H258-H262 PolarHBondContact O-N 3.09Å; A259-H262 WeakPolarHBondContact O-CB 3.33Å; A259-H262 PolarHBondContact O-N 3.47Å; H262-N264 PolarHBondContact O-N 2.83Å; H262-L265 PolarHBondContact O-N 2.98Å; H262-A266 WeakPolarHBondContact O-CB 3.43Å; H262-A266 PolarHBondContact O-N 3.49Å; H262-T281 HydrophobicContact CB-CG2 4.28Å; H262-T281 VanDerWaalsContact O-CG2 3.29Å; H262-T281 WeakPolarHBondContact O-CG2 3.36Å; H262-A285 HydrophobicContact CB-CB 3.78Å; H262-L288 VanDerWaalsContact CD2-CD1 3.45Å; H262-L288 WeakPolarHBondContact CD2-CD1 3.24Å |
| 263 | G | 95 | Very high | 94.5 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -47.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | A259 V260 V261 A266 C267 | A259-G263 PolarHBondContact O-N 2.77Å; V260-G263 PolarHBondContact O-N 3.12Å; V261-G263 VanDerWaalsContact C-N 3.32Å; V261-G263 PolarHBondContact O-N 3.3Å; G263-A266 WeakPolarHBondContact O-CB 3.41Å; G263-A266 PolarHBondContact O-N 3.45Å; G263-C267 PolarHBondContact O-N 3.03Å; G263-C267 PolarHBondContact O-SG 2.95Å |
| 264 | N | 95.3 | Very high | 94.4 | Very high | 36 Ų | 36 | 41.4 Ų | 41.4 | 19% | 0.193 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -38 | 178.8 | -73.4 | -6.1 | 0 | 0 | 0 | 112.7 | N233 Y248 V260 V261 H262 C267 V268 | N233-N264 PolarHBondContact OD1-ND2 3.06Å; Y248-N264 HydrophobicContact CE1-CB 3.96Å; Y248-N264 HydrophobicContact CE2-CB 4.23Å; V260-N264 PolarHBondContact O-N 3.36Å; V261-N264 PolarHBondContact O-N 3.28Å; H262-N264 PolarHBondContact O-N 2.83Å; N264-C267 WeakPolarHBondContact O-CB 3.49Å; N264-C267 PolarHBondContact O-N 3Å; N264-V268 PolarHBondContact O-N 3.36Å |
| 265 | L | 97 | Very high | 94.4 | Very high | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.021 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 174.1 | 176.9 | 59.9 | 0 | 0 | 0 | 111.3 | V245 Y248 L249 L252 V261 H262 C267 V268 Y269 T281 | V245-L265 HydrophobicContact CB-CD1 4.22Å; V245-L265 HydrophobicContact CG1-CD1 4.07Å; V245-L265 HydrophobicContact CG2-CD1 3.95Å; Y248-L265 HydrophobicContact CD2-CB 4.22Å; Y248-L265 HydrophobicContact CD2-CD1 4.21Å; Y248-L265 HydrophobicContact CG-CB 4.4Å; L249-L265 HydrophobicContact CD2-CD2 3.89Å; L249-L265 HydrophobicContact CG-CD2 4.49Å; L252-L265 HydrophobicContact CD1-CD2 3.89Å; V261-L265 VanDerWaalsContact O-CB 3.27Å; V261-L265 WeakPolarHBondContact O-CB 3.24Å; V261-L265 PolarHBondContact O-N 3.14Å; H262-L265 PolarHBondContact O-N 2.98Å; L265-C267 VanDerWaalsContact C-N 3.29Å; L265-C267 PolarHBondContact O-N 3.04Å; L265-V268 WeakPolarHBondContact O-CB 3.41Å; L265-V268 PolarHBondContact O-N 3.06Å; L265-Y269 HydrophobicContact CD1-CD2 4.33Å; L265-Y269 HydrophobicContact CD1-CE1 4.2Å; L265-Y269 HydrophobicContact CD1-CE2 3.74Å; L265-Y269 HydrophobicContact CD2-CE2 3.92Å; L265-Y269 HydrophobicContact CG-CD2 4.06Å; L265-Y269 HydrophobicContact CG-CE2 3.54Å; L265-Y269 PolarHBondContact O-N 3.05Å; L265-T281 HydrophobicContact CB-CG2 4.38Å; L265-T281 HydrophobicContact CD2-CG2 4.25Å; L265-T281 HydrophobicContact CG-CG2 4.28Å |
| 266 | A | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.7 | -37.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H262 G263 V268 Y269 Y270 A278 T281 Y282 | H262-A266 WeakPolarHBondContact O-CB 3.43Å; H262-A266 PolarHBondContact O-N 3.49Å; G263-A266 WeakPolarHBondContact O-CB 3.41Å; G263-A266 PolarHBondContact O-N 3.45Å; A266-V268 VanDerWaalsContact C-N 3.32Å; A266-V268 PolarHBondContact O-N 3.38Å; A266-Y269 PolarHBondContact O-N 3.38Å; A266-Y270 WeakPolarHBondContact O-CB 3.46Å; A266-Y270 PolarHBondContact O-N 3.03Å; A266-A278 WeakPolarHBondContact O-CB 3.44Å; A266-T281 HydrophobicContact CB-CG2 3.87Å; A266-Y282 HydrophobicContact CB-CD1 3.4Å; A266-Y282 VanDerWaalsContact CB-CD1 3.4Å; A266-Y282 HydrophobicContact CB-CD2 3.78Å; A266-Y282 HydrophobicContact CB-CE1 3.4Å; A266-Y282 VanDerWaalsContact CB-CE1 3.4Å; A266-Y282 HydrophobicContact CB-CE2 3.79Å; A266-Y282 HydrophobicContact CB-CG 3.57Å |
| 267 | C | 94.9 | Very high | 94.6 | Very high | 15 Ų | 15 | 42.3 Ų | 42.3 | 10% | 0.101 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -59.6 | -42.1 | 171.7 | -62.1 | 0 | 0 | 0 | 0 | 112.3 | G263 N264 L265 Y270 E271 Y282 | G263-C267 PolarHBondContact O-N 3.03Å; G263-C267 PolarHBondContact O-SG 2.95Å; N264-C267 WeakPolarHBondContact O-CB 3.49Å; N264-C267 PolarHBondContact O-N 3Å; L265-C267 VanDerWaalsContact C-N 3.29Å; L265-C267 PolarHBondContact O-N 3.04Å; C267-Y270 WeakPolarHBondContact O-CB 3.46Å; C267-Y270 PolarHBondContact O-N 2.86Å; C267-E271 WeakPolarHBondContact O-CG 3.48Å; C267-E271 PolarHBondContact O-N 3.45Å; C267-Y282 WeakPolarHBondContact CA-OH 3.44Å; C267-Y282 PolarHBondContact N-OH 3.39Å; C267-Y282 PolarHBondContact SG-OH 2.84Å |
| 268 | V | 95.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 178.2 | 177.6 | 0 | 0 | 0 | 0 | 111.1 | K236 F241 A244 V245 Y248 N264 L265 A266 Y270 E271 Q272 | K236-V268 HydrophobicContact CB-CG2 4Å; K236-V268 HydrophobicContact CD-CG2 3.92Å; K236-V268 HydrophobicContact CG-CG2 3.83Å; F241-V268 HydrophobicContact CB-CG1 3.72Å; F241-V268 HydrophobicContact CD1-CG1 3.7Å; F241-V268 HydrophobicContact CG-CG1 4.02Å; A244-V268 HydrophobicContact CB-CG2 4.34Å; V245-V268 HydrophobicContact CG2-CB 4.39Å; V245-V268 HydrophobicContact CG2-CG1 3.65Å; Y248-V268 HydrophobicContact CE2-CG2 3.91Å; N264-V268 PolarHBondContact O-N 3.36Å; L265-V268 WeakPolarHBondContact O-CB 3.41Å; L265-V268 PolarHBondContact O-N 3.06Å; A266-V268 VanDerWaalsContact C-N 3.32Å; A266-V268 PolarHBondContact O-N 3.38Å; V268-Y270 VanDerWaalsContact C-N 3.29Å; V268-Y270 PolarHBondContact O-N 2.82Å; V268-E271 PolarHBondContact O-N 2.79Å; V268-Q272 WeakPolarHBondContact O-CG 3.47Å; V268-Q272 PolarHBondContact O-N 2.87Å |
| 269 | Y | 96.4 | Very high | 94.9 | Very high | 26 Ų | 26 | 34.3 Ų | 34.3 | 10% | 0.102 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -61.7 | -38.9 | 175.2 | -68.6 | -36.5 | 0 | 0 | 0 | 112.7 | V245 L265 A266 Q272 G273 L274 L277 | V245-Y269 HydrophobicContact CG1-CE1 3.98Å; V245-Y269 HydrophobicContact CG2-CD1 4.27Å; V245-Y269 HydrophobicContact CG2-CE1 3.79Å; L265-Y269 HydrophobicContact CD1-CD2 4.33Å; L265-Y269 HydrophobicContact CD1-CE1 4.2Å; L265-Y269 HydrophobicContact CD1-CE2 3.74Å; L265-Y269 HydrophobicContact CD2-CE2 3.92Å; L265-Y269 HydrophobicContact CG-CD2 4.06Å; L265-Y269 HydrophobicContact CG-CE2 3.54Å; L265-Y269 PolarHBondContact O-N 3.05Å; A266-Y269 PolarHBondContact O-N 3.38Å; Y269-Q272 PolarHBondContact O-N 3.23Å; Y269-G273 PolarHBondContact O-N 3.4Å; Y269-L274 HydrophobicContact CD1-CD1 4.03Å; Y269-L274 PolarHBondContact O-N 3.16Å; Y269-L277 HydrophobicContact CD1-CD2 3.72Å; Y269-L277 HydrophobicContact CD1-CG 4.41Å; Y269-L277 HydrophobicContact CD2-CB 4.33Å; Y269-L277 HydrophobicContact CD2-CD2 3.7Å; Y269-L277 HydrophobicContact CD2-CG 3.55Å; Y269-L277 HydrophobicContact CE1-CD2 3.54Å; Y269-L277 HydrophobicContact CE1-CG 4.47Å; Y269-L277 HydrophobicContact CE2-CD1 4.37Å; Y269-L277 HydrophobicContact CE2-CD2 3.5Å; Y269-L277 HydrophobicContact CE2-CG 3.59Å; Y269-L277 HydrophobicContact CG-CB 4.44Å; Y269-L277 HydrophobicContact CG-CD2 3.79Å; Y269-L277 HydrophobicContact CG-CG 3.97Å; Y269-L277 VanDerWaalsContact CZ-CD2 3.42Å |
| 270 | Y | 94.7 | Very high | 95 | Very high | 70 Ų | 70 | 38.4 Ų | 38.4 | 28% | 0.275 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -48 | 174.1 | -178.8 | -104.3 | 0 | 0 | 0 | 111.4 | A266 C267 V268 Q272 G273 I275 A302 E305 | A266-Y270 WeakPolarHBondContact O-CB 3.46Å; A266-Y270 PolarHBondContact O-N 3.03Å; C267-Y270 WeakPolarHBondContact O-CB 3.46Å; C267-Y270 PolarHBondContact O-N 2.86Å; V268-Y270 VanDerWaalsContact C-N 3.29Å; V268-Y270 PolarHBondContact O-N 2.82Å; Y270-Q272 VanDerWaalsContact C-N 3.26Å; Y270-Q272 PolarHBondContact O-N 3.49Å; Y270-G273 PolarHBondContact O-N 2.84Å; Y270-I275 HydrophobicContact CD2-CD1 3.77Å; Y270-I275 HydrophobicContact CE2-CD1 3.86Å; Y270-A302 HydrophobicContact CD2-CB 3.79Å; Y270-A302 HydrophobicContact CE2-CB 4Å; Y270-E305 WeakPolarHBondContact CE2-OE2 3.46Å; Y270-E305 PolarHBondContact OH-OE2 3.12Å |
| 271 | E | 91.9 | Very high | 95.1 | Very high | 80 Ų | 80 | 36.3 Ų | 36.3 | 37% | 0.374 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65 | -25.4 | 177.7 | -73.3 | -174 | -136 | 0 | 0 | 114 | F241 C267 V268 G273 | F241-E271 HydrophobicContact CE1-CB 4.05Å; F241-E271 VanDerWaalsContact CE1-OE2 3.26Å; F241-E271 WeakPolarHBondContact CE1-OE2 3.29Å; F241-E271 HydrophobicContact CE2-CB 4.41Å; F241-E271 HydrophobicContact CZ-CB 3.81Å; F241-E271 WeakPolarHBondContact CZ-OE2 3.14Å; C267-E271 WeakPolarHBondContact O-CG 3.48Å; C267-E271 PolarHBondContact O-N 3.45Å; V268-E271 PolarHBondContact O-N 2.79Å; E271-G273 VanDerWaalsContact C-N 3.3Å |
| 272 | Q | 92 | Very high | 95.3 | Very high | 65 Ų | 65 | 36.5 Ų | 36.5 | 30% | 0.304 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.8 | 172.1 | -71.3 | -175.1 | -52 | 0 | 0 | 113.5 | F241 D242 V268 Y269 Y270 L274 | F241-Q272 HydrophobicContact CB-CG 3.72Å; F241-Q272 HydrophobicContact CD2-CG 3.75Å; F241-Q272 HydrophobicContact CG-CG 3.86Å; D242-Q272 PolarHBondContact OD1-NE2 3.37Å; V268-Q272 WeakPolarHBondContact O-CG 3.47Å; V268-Q272 PolarHBondContact O-N 2.87Å; Y269-Q272 PolarHBondContact O-N 3.23Å; Y270-Q272 VanDerWaalsContact C-N 3.26Å; Y270-Q272 PolarHBondContact O-N 3.49Å; Q272-L274 VanDerWaalsContact C-N 3.33Å; Q272-L274 HydrophobicContact CB-CD1 4.36Å; Q272-L274 HydrophobicContact CB-CG 4.28Å |
| 273 | G | 90.7 | Very high | 95.3 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 47% | 0.474 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 11.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y269 Y270 E271 I275 | Y269-G273 PolarHBondContact O-N 3.4Å; Y270-G273 PolarHBondContact O-N 2.84Å; E271-G273 VanDerWaalsContact C-N 3.3Å; G273-I275 PolarHBondContact O-N 2.84Å |
| 274 | L | 94.3 | Very high | 95.3 | Very high | 84 Ų | 84 | 44.9 Ų | 44.9 | 44% | 0.44 | 23% | 0.225 | S | C | . | . | trans | -84.8 | 64.8 | 176.5 | -60.7 | 174.6 | 0 | 0 | 0 | 110.1 | Y269 Q272 D276 L277 A278 | Y269-L274 HydrophobicContact CD1-CD1 4.03Å; Y269-L274 PolarHBondContact O-N 3.16Å; Q272-L274 VanDerWaalsContact C-N 3.33Å; Q272-L274 HydrophobicContact CB-CD1 4.36Å; Q272-L274 HydrophobicContact CB-CG 4.28Å; L274-D276 PolarHBondContact O-N 2.96Å; L274-L277 HydrophobicContact CB-CB 4.3Å; L274-L277 HydrophobicContact CD1-CD2 4.46Å; L274-L277 PolarHBondContact O-N 3.32Å; L274-A278 PolarHBondContact O-N 2.89Å | ||
| 275 | I | 93.7 | Very high | 95.4 | Very high | 27 Ų | 27 | 43.2 Ų | 43.2 | 14% | 0.138 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.2 | -43.8 | -167.1 | -54.6 | -56 | 0 | 0 | 0 | 113.2 | Y270 G273 L277 A278 I279 A302 E305 K306 | Y270-I275 HydrophobicContact CD2-CD1 3.77Å; Y270-I275 HydrophobicContact CE2-CD1 3.86Å; G273-I275 PolarHBondContact O-N 2.84Å; I275-L277 PolarHBondContact O-N 3.36Å; I275-A278 WeakPolarHBondContact O-CB 3.37Å; I275-A278 PolarHBondContact O-N 2.9Å; I275-I279 HydrophobicContact CG2-CD1 3.91Å; I275-I279 WeakPolarHBondContact O-CG1 3.46Å; I275-I279 PolarHBondContact O-N 3.23Å; I275-A302 HydrophobicContact CG2-CB 4.41Å; I275-A302 WeakPolarHBondContact CG2-O 3.3Å; I275-E305 HydrophobicContact CD1-CG 4.37Å; I275-K306 HydrophobicContact CG2-CB 4.12Å |
| 276 | D | 95.1 | Very high | 95.3 | Very high | 93 Ų | 93 | 43.8 Ų | 43.8 | 50% | 0.497 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63 | -43.7 | 179.7 | -71 | -43.1 | 0 | 0 | 0 | 112 | L274 A278 I279 D280 K306 | L274-D276 PolarHBondContact O-N 2.96Å; D276-A278 VanDerWaalsContact C-N 3.33Å; D276-A278 PolarHBondContact O-N 2.91Å; D276-I279 PolarHBondContact O-N 2.95Å; D276-D280 PolarHBondContact O-N 2.71Å; D276-K306 VanDerWaalsContact OD1-CE 3.27Å; D276-K306 WeakPolarHBondContact OD1-CE 3.44Å; D276-K306 IonicContact OD1-NZ 2.88Å; D276-K306 PolarHBondContact OD1-NZ 2.94Å |
| 277 | L | 95.2 | Very high | 95.3 | Very high | 74 Ų | 74 | 49.9 Ų | 49.9 | 39% | 0.387 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -67.2 | -37.2 | 179 | -170.3 | 62.1 | 0 | 0 | 0 | 111.4 | Y269 L274 I275 T281 | Y269-L277 HydrophobicContact CD1-CD2 3.72Å; Y269-L277 HydrophobicContact CD1-CG 4.41Å; Y269-L277 HydrophobicContact CD2-CB 4.33Å; Y269-L277 HydrophobicContact CD2-CD2 3.7Å; Y269-L277 HydrophobicContact CD2-CG 3.55Å; Y269-L277 HydrophobicContact CE1-CD2 3.54Å; Y269-L277 HydrophobicContact CE1-CG 4.47Å; Y269-L277 HydrophobicContact CE2-CD1 4.37Å; Y269-L277 HydrophobicContact CE2-CD2 3.5Å; Y269-L277 HydrophobicContact CE2-CG 3.59Å; Y269-L277 HydrophobicContact CG-CB 4.44Å; Y269-L277 HydrophobicContact CG-CD2 3.79Å; Y269-L277 HydrophobicContact CG-CG 3.97Å; Y269-L277 VanDerWaalsContact CZ-CD2 3.42Å; L274-L277 HydrophobicContact CB-CB 4.3Å; L274-L277 HydrophobicContact CD1-CD2 4.46Å; L274-L277 PolarHBondContact O-N 3.32Å; I275-L277 PolarHBondContact O-N 3.36Å; L277-T281 VanDerWaalsContact O-CB 3.3Å; L277-T281 WeakPolarHBondContact O-CB 3.46Å; L277-T281 PolarHBondContact O-N 2.8Å; L277-T281 PolarHBondContact O-OG1 3.41Å |
| 278 | A | 96.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A266 L274 I275 D276 D280 T281 Y282 | A266-A278 WeakPolarHBondContact O-CB 3.44Å; L274-A278 PolarHBondContact O-N 2.89Å; I275-A278 WeakPolarHBondContact O-CB 3.37Å; I275-A278 PolarHBondContact O-N 2.9Å; D276-A278 VanDerWaalsContact C-N 3.33Å; D276-A278 PolarHBondContact O-N 2.91Å; A278-D280 PolarHBondContact O-N 3.45Å; A278-T281 PolarHBondContact O-N 3.34Å; A278-Y282 HydrophobicContact CB-CD2 4.44Å; A278-Y282 HydrophobicContact CB-CE2 4.2Å; A278-Y282 WeakPolarHBondContact O-CD2 3.33Å; A278-Y282 PolarHBondContact O-N 3.15Å |
| 279 | I | 97.2 | Very high | 95.3 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.021 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -57.7 | -50.6 | 178.4 | -73 | 165.1 | 0 | 0 | 0 | 111 | I275 D276 T281 Y282 R283 L299 A302 L303 K306 | I275-I279 HydrophobicContact CG2-CD1 3.91Å; I275-I279 WeakPolarHBondContact O-CG1 3.46Å; I275-I279 PolarHBondContact O-N 3.23Å; D276-I279 PolarHBondContact O-N 2.95Å; I279-T281 VanDerWaalsContact C-N 3.31Å; I279-T281 PolarHBondContact O-N 3.37Å; I279-Y282 PolarHBondContact O-N 3.42Å; I279-R283 WeakPolarHBondContact O-CG 3.2Å; I279-R283 PolarHBondContact O-N 3.36Å; I279-L299 HydrophobicContact CB-CD1 4.19Å; I279-L299 HydrophobicContact CG1-CD1 4.14Å; I279-L299 HydrophobicContact CG2-CD1 3.9Å; I279-A302 HydrophobicContact CD1-CB 4.45Å; I279-A302 HydrophobicContact CG1-CB 3.79Å; I279-L303 HydrophobicContact CD1-CD2 3.97Å; I279-L303 HydrophobicContact CD1-CG 4.45Å; I279-L303 HydrophobicContact CG1-CD2 4.35Å; I279-L303 HydrophobicContact CG1-CG 4.49Å; I279-L303 HydrophobicContact CG2-CD2 4.33Å; I279-K306 HydrophobicContact CD1-CB 4.29Å; I279-K306 HydrophobicContact CD1-CD 3.61Å |
| 280 | D | 96.8 | Very high | 95.2 | Very high | 95 Ų | 95 | 58 Ų | 58 | 51% | 0.508 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.4 | -39.8 | -179 | -71.7 | -18.7 | 0 | 0 | 0 | 111.6 | D276 A278 R283 R284 | D276-D280 PolarHBondContact O-N 2.71Å; A278-D280 PolarHBondContact O-N 3.45Å; D280-R283 PolarHBondContact O-N 3.1Å; D280-R284 PolarHBondContact O-N 3.31Å |
| 281 | T | 96.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 60.6 Ų | 60.6 | 9% | 0.092 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -70.9 | -38 | 179.5 | -49.7 | 0 | 0 | 0 | 0 | 111.8 | H262 L265 A266 L277 A278 I279 R284 A285 | H262-T281 HydrophobicContact CB-CG2 4.28Å; H262-T281 VanDerWaalsContact O-CG2 3.29Å; H262-T281 WeakPolarHBondContact O-CG2 3.36Å; L265-T281 HydrophobicContact CB-CG2 4.38Å; L265-T281 HydrophobicContact CD2-CG2 4.25Å; L265-T281 HydrophobicContact CG-CG2 4.28Å; A266-T281 HydrophobicContact CB-CG2 3.87Å; L277-T281 VanDerWaalsContact O-CB 3.3Å; L277-T281 WeakPolarHBondContact O-CB 3.46Å; L277-T281 PolarHBondContact O-N 2.8Å; L277-T281 PolarHBondContact O-OG1 3.41Å; A278-T281 PolarHBondContact O-N 3.34Å; I279-T281 VanDerWaalsContact C-N 3.31Å; I279-T281 PolarHBondContact O-N 3.37Å; T281-R284 WeakPolarHBondContact O-CB 3.09Å; T281-R284 PolarHBondContact O-N 2.58Å; T281-A285 PolarHBondContact O-N 3.02Å |
| 282 | Y | 97.7 | Very high | 95.2 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 1% | 0.012 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 172.3 | -77.3 | -55.3 | 0 | 0 | 0 | 112 | A266 C267 A278 I279 R284 A285 I286 N298 L299 | A266-Y282 HydrophobicContact CB-CD1 3.4Å; A266-Y282 VanDerWaalsContact CB-CD1 3.4Å; A266-Y282 HydrophobicContact CB-CD2 3.78Å; A266-Y282 HydrophobicContact CB-CE1 3.4Å; A266-Y282 VanDerWaalsContact CB-CE1 3.4Å; A266-Y282 HydrophobicContact CB-CE2 3.79Å; A266-Y282 HydrophobicContact CB-CG 3.57Å; C267-Y282 WeakPolarHBondContact CA-OH 3.44Å; C267-Y282 PolarHBondContact N-OH 3.39Å; C267-Y282 PolarHBondContact SG-OH 2.84Å; A278-Y282 HydrophobicContact CB-CD2 4.44Å; A278-Y282 HydrophobicContact CB-CE2 4.2Å; A278-Y282 WeakPolarHBondContact O-CD2 3.33Å; A278-Y282 PolarHBondContact O-N 3.15Å; I279-Y282 PolarHBondContact O-N 3.42Å; Y282-R284 PolarHBondContact O-N 3.27Å; Y282-A285 WeakPolarHBondContact O-CB 3.39Å; Y282-A285 PolarHBondContact O-N 3.11Å; Y282-A285 VanDerWaalsContact O-N 3.12Å; Y282-I286 WeakPolarHBondContact O-CG1 3.4Å; Y282-I286 PolarHBondContact O-N 3.16Å; Y282-N298 HydrophobicContact CD1-CB 4.33Å; Y282-N298 HydrophobicContact CE1-CB 3.59Å; Y282-N298 HydrophobicContact CE2-CB 4.09Å; Y282-N298 VanDerWaalsContact CZ-CB 3.46Å; Y282-N298 WeakPolarHBondContact OH-CB 3.38Å; Y282-L299 HydrophobicContact CD2-CB 4.38Å; Y282-L299 HydrophobicContact CG-CB 4.26Å |
| 283 | R | 97.1 | Very high | 95.3 | Very high | 104 Ų | 104 | 56.1 Ų | 56.1 | 39% | 0.392 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -57.8 | -42.1 | 174.6 | -76 | 175.3 | 173.4 | 167.6 | -3.4 | 110.5 | I279 D280 A285 I286 E287 L299 E311 | I279-R283 WeakPolarHBondContact O-CG 3.2Å; I279-R283 PolarHBondContact O-N 3.36Å; D280-R283 PolarHBondContact O-N 3.1Å; R283-A285 PolarHBondContact O-N 3.11Å; R283-I286 PolarHBondContact O-N 3.09Å; R283-E287 WeakPolarHBondContact O-CG 3.39Å; R283-E287 PolarHBondContact O-N 3Å; R283-L299 HydrophobicContact CG-CD1 4.41Å; R283-L299 HydrophobicContact CG-CD2 4.07Å; R283-E311 IonicContact NH2-OE2 3.63Å; R283-E311 PolarHBondContact NH2-OE2 3.18Å; R283-E311 VanDerWaalsContact NH2-OE2 3.15Å |
| 284 | R | 96.5 | Very high | 95.4 | Very high | 102 Ų | 102 | 57.8 Ų | 57.8 | 39% | 0.385 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 175.2 | -172.9 | 57.3 | -179.4 | 169.2 | 3 | 113 | D280 T281 Y282 I286 E287 L288 | D280-R284 PolarHBondContact O-N 3.31Å; T281-R284 WeakPolarHBondContact O-CB 3.09Å; T281-R284 PolarHBondContact O-N 2.58Å; Y282-R284 PolarHBondContact O-N 3.27Å; R284-I286 VanDerWaalsContact C-N 3.32Å; R284-I286 PolarHBondContact O-N 3.01Å; R284-E287 IonicContact CZ-OE2 3.16Å; R284-E287 IonicContact NH1-OE2 3.83Å; R284-E287 PolarHBondContact NH1-OE2 3.16Å; R284-E287 PolarHBondContact O-N 2.99Å; R284-L288 HydrophobicContact CG-CD1 4.36Å; R284-L288 VanDerWaalsContact O-CG 3.3Å; R284-L288 WeakPolarHBondContact O-CG 3.33Å; R284-L288 PolarHBondContact O-N 3.02Å |
| 285 | A | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | A259 H262 T281 Y282 R283 L288 Q289 | A259-A285 WeakPolarHBondContact O-CB 3.41Å; H262-A285 HydrophobicContact CB-CB 3.78Å; T281-A285 PolarHBondContact O-N 3.02Å; Y282-A285 WeakPolarHBondContact O-CB 3.39Å; Y282-A285 PolarHBondContact O-N 3.11Å; Y282-A285 VanDerWaalsContact O-N 3.12Å; R283-A285 PolarHBondContact O-N 3.11Å; A285-L288 PolarHBondContact O-N 2.89Å; A285-Q289 PolarHBondContact O-N 2.86Å |
| 286 | I | 96.5 | Very high | 95.6 | Very high | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.087 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -70.1 | -39.3 | 179.8 | -68.6 | 163.9 | 0 | 0 | 0 | 111.9 | Y282 R283 R284 L288 Q289 P290 A295 Y296 L299 | Y282-I286 WeakPolarHBondContact O-CG1 3.4Å; Y282-I286 PolarHBondContact O-N 3.16Å; R283-I286 PolarHBondContact O-N 3.09Å; R284-I286 VanDerWaalsContact C-N 3.32Å; R284-I286 PolarHBondContact O-N 3.01Å; I286-L288 VanDerWaalsContact C-N 3.27Å; I286-L288 PolarHBondContact O-N 2.92Å; I286-Q289 CarbonylContact O-C 3.52Å; I286-Q289 PolarHBondContact O-N 3.15Å; I286-P290 WeakPolarHBondContact O-CA 2.91Å; I286-P290 VanDerWaalsContact O-N 3.1Å; I286-A295 HydrophobicContact CD1-CB 4.26Å; I286-A295 HydrophobicContact CG1-CB 3.79Å; I286-Y296 HydrophobicContact CD1-CD1 3.93Å; I286-Y296 HydrophobicContact CD1-CD2 4.29Å; I286-Y296 HydrophobicContact CD1-CE1 4.08Å; I286-Y296 HydrophobicContact CD1-CE2 4.43Å; I286-Y296 HydrophobicContact CD1-CG 4.05Å; I286-Y296 HydrophobicContact CG1-CD2 4.35Å; I286-Y296 HydrophobicContact CG1-CE2 4.24Å; I286-Y296 HydrophobicContact CG2-CE1 3.92Å; I286-Y296 HydrophobicContact CG2-CE2 3.77Å; I286-Y296 WeakPolarHBondContact CG2-OH 3.33Å; I286-L299 HydrophobicContact CD1-CB 4.41Å; I286-L299 HydrophobicContact CD1-CD2 3.69Å |
| 287 | E | 96.2 | Very high | 95.6 | Very high | 127 Ų | 127 | 50.2 Ų | 50.2 | 59% | 0.593 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.4 | -41.3 | 173.8 | -78.2 | 176.9 | -177.8 | 0 | 0 | 111.7 | R283 R284 | R283-E287 WeakPolarHBondContact O-CG 3.39Å; R283-E287 PolarHBondContact O-N 3Å; R284-E287 IonicContact CZ-OE2 3.16Å; R284-E287 IonicContact NH1-OE2 3.83Å; R284-E287 PolarHBondContact NH1-OE2 3.16Å; R284-E287 PolarHBondContact O-N 2.99Å |
| 288 | L | 94.8 | Very high | 95.7 | Very high | 51 Ų | 51 | 49 Ų | 49 | 27% | 0.267 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -73.4 | -36.4 | 178.8 | -68.1 | 170.6 | 0 | 0 | 0 | 112.1 | N257 A259 H262 R284 A285 I286 | N257-L288 HydrophobicContact CB-CD2 3.94Å; A259-L288 HydrophobicContact CB-CB 3.8Å; H262-L288 VanDerWaalsContact CD2-CD1 3.45Å; H262-L288 WeakPolarHBondContact CD2-CD1 3.24Å; R284-L288 HydrophobicContact CG-CD1 4.36Å; R284-L288 VanDerWaalsContact O-CG 3.3Å; R284-L288 WeakPolarHBondContact O-CG 3.33Å; R284-L288 PolarHBondContact O-N 3.02Å; A285-L288 PolarHBondContact O-N 2.89Å; I286-L288 VanDerWaalsContact C-N 3.27Å; I286-L288 PolarHBondContact O-N 2.92Å |
| 289 | Q | 95 | Very high | 95.7 | Very high | 79 Ų | 79 | 49.4 Ų | 49.4 | 37% | 0.369 | 24% | 0.24 | S | C | . | . | trans | -136.4 | 93.7 | 177.8 | -174 | 175.8 | -11.6 | 0 | 0 | 111 | A259 A285 I286 H291 F292 | A259-Q289 HydrophobicContact CB-CB 3.56Å; A285-Q289 PolarHBondContact O-N 2.86Å; I286-Q289 CarbonylContact O-C 3.52Å; I286-Q289 PolarHBondContact O-N 3.15Å; Q289-H291 PolarHBondContact NE2-O 2.77Å; Q289-H291 PolarHBondContact O-N 3.3Å; Q289-F292 HydrophobicContact CG-CB 4.3Å; Q289-F292 WeakPolarHBondContact O-CB 3.48Å | ||
| 290 | P | 93.8 | Very high | 95.6 | Very high | 82 Ų | 82 | 49.2 Ų | 49.2 | 53% | 0.532 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -65.3 | -22 | -178.3 | -26.8 | 35.9 | 0 | 0 | 0 | 114.7 | I286 F292 Y296 | I286-P290 WeakPolarHBondContact O-CA 2.91Å; I286-P290 VanDerWaalsContact O-N 3.1Å; P290-F292 PolarHBondContact O-N 3.21Å; P290-Y296 WeakPolarHBondContact O-CE2 2.94Å |
| 291 | H | 94.3 | Very high | 95.5 | Very high | 124 Ų | 124 | 46.4 Ų | 46.4 | 57% | 0.574 | 22% | 0.224 | S | C | * | . | trans | -96.6 | 66.2 | 178 | -152.9 | 81.7 | 0 | 0 | 0 | 110.3 | Q289 L322 | Q289-H291 PolarHBondContact NE2-O 2.77Å; Q289-H291 PolarHBondContact O-N 3.3Å; H291-L322 WeakPolarHBondContact ND1-CD2 3.46Å | ||
| 292 | F | 93.3 | Very high | 95.5 | Very high | 29 Ų | 29 | 45.7 Ų | 45.7 | 13% | 0.127 | 22% | 0.219 | C | C | . | . | trans | -136.1 | 78.4 | -176.2 | -162.9 | 177.6 | 0 | 0 | 0 | 112 | V260 Q289 P290 D294 A295 Y296 | V260-F292 HydrophobicContact CG2-CZ 4.5Å; Q289-F292 HydrophobicContact CG-CB 4.3Å; Q289-F292 WeakPolarHBondContact O-CB 3.48Å; P290-F292 PolarHBondContact O-N 3.21Å; F292-D294 HydrophobicContact CD2-CB 4.36Å; F292-D294 HydrophobicContact CE2-CB 4.07Å; F292-D294 PolarHBondContact O-N 2.74Å; F292-A295 HydrophobicContact CB-CB 4.13Å; F292-A295 HydrophobicContact CD1-CB 3.6Å; F292-A295 HydrophobicContact CD2-CB 4.11Å; F292-A295 HydrophobicContact CE1-CB 4Å; F292-A295 HydrophobicContact CE2-CB 4.47Å; F292-A295 HydrophobicContact CG-CB 3.66Å; F292-A295 HydrophobicContact CZ-CB 4.42Å; F292-A295 PolarHBondContact O-N 3.37Å; F292-A295 VanDerWaalsContact O-N 3.17Å; F292-Y296 WeakPolarHBondContact O-CD2 3.35Å; F292-Y296 PolarHBondContact O-N 2.62Å | ||
| 293 | P | 93.7 | Very high | 95.3 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 14% | 0.143 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -54.2 | -44.8 | -173.8 | -24.7 | 32.6 | 0 | 0 | 0 | 114.5 | A295 Y296 C297 L322 C323 | P293-A295 VanDerWaalsContact C-N 3.28Å; P293-A295 PolarHBondContact O-N 3.45Å; P293-Y296 WeakPolarHBondContact O-CB 3.17Å; P293-Y296 PolarHBondContact O-N 3.04Å; P293-Y296 VanDerWaalsContact O-N 3.13Å; P293-C297 PolarHBondContact O-N 2.72Å; P293-L322 HydrophobicContact CG-CB 3.93Å; P293-C323 HydrophobicContact CB-CB 3.99Å; P293-C323 HydrophobicContact CG-CB 3.7Å |
| 294 | D | 93.1 | Very high | 95 | Very high | 81 Ų | 81 | 43.7 Ų | 43.7 | 43% | 0.433 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.5 | -38.1 | -179 | -55.5 | -1.7 | 0 | 0 | 0 | 111.7 | F292 C297 N298 H326 | F292-D294 HydrophobicContact CD2-CB 4.36Å; F292-D294 HydrophobicContact CE2-CB 4.07Å; F292-D294 PolarHBondContact O-N 2.74Å; D294-C297 PolarHBondContact O-N 2.85Å; D294-N298 WeakPolarHBondContact O-CB 3.35Å; D294-N298 VanDerWaalsContact O-CG 3.27Å; D294-N298 PolarHBondContact O-N 2.73Å; D294-N298 PolarHBondContact O-ND2 3.32Å; D294-N298 VanDerWaalsContact O-ND2 3.17Å; D294-H326 IonicContact OD1-CD2 3.77Å; D294-H326 IonicContact OD1-NE2 3.55Å; D294-H326 PolarHBondContact OD1-NE2 3.09Å |
| 295 | A | 94.4 | Very high | 94.7 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 2% | 0.017 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.9 | -39.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I286 F292 P293 L299 | I286-A295 HydrophobicContact CD1-CB 4.26Å; I286-A295 HydrophobicContact CG1-CB 3.79Å; F292-A295 HydrophobicContact CB-CB 4.13Å; F292-A295 HydrophobicContact CD1-CB 3.6Å; F292-A295 HydrophobicContact CD2-CB 4.11Å; F292-A295 HydrophobicContact CE1-CB 4Å; F292-A295 HydrophobicContact CE2-CB 4.47Å; F292-A295 HydrophobicContact CG-CB 3.66Å; F292-A295 HydrophobicContact CZ-CB 4.42Å; F292-A295 PolarHBondContact O-N 3.37Å; F292-A295 VanDerWaalsContact O-N 3.17Å; P293-A295 VanDerWaalsContact C-N 3.28Å; P293-A295 PolarHBondContact O-N 3.45Å; A295-L299 WeakPolarHBondContact O-CB 3.25Å; A295-L299 PolarHBondContact O-N 2.84Å |
| 296 | Y | 97.3 | Very high | 94.5 | Very high | 41 Ų | 41 | 49.8 Ų | 49.8 | 16% | 0.161 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65 | -42.4 | 172.3 | -78.9 | -80.5 | 0 | 0 | 0 | 112 | I286 P290 F292 P293 L299 A300 C315 T318 L322 | I286-Y296 HydrophobicContact CD1-CD1 3.93Å; I286-Y296 HydrophobicContact CD1-CD2 4.29Å; I286-Y296 HydrophobicContact CD1-CE1 4.08Å; I286-Y296 HydrophobicContact CD1-CE2 4.43Å; I286-Y296 HydrophobicContact CD1-CG 4.05Å; I286-Y296 HydrophobicContact CG1-CD2 4.35Å; I286-Y296 HydrophobicContact CG1-CE2 4.24Å; I286-Y296 HydrophobicContact CG2-CE1 3.92Å; I286-Y296 HydrophobicContact CG2-CE2 3.77Å; I286-Y296 WeakPolarHBondContact CG2-OH 3.33Å; P290-Y296 WeakPolarHBondContact O-CE2 2.94Å; F292-Y296 WeakPolarHBondContact O-CD2 3.35Å; F292-Y296 PolarHBondContact O-N 2.62Å; P293-Y296 WeakPolarHBondContact O-CB 3.17Å; P293-Y296 PolarHBondContact O-N 3.04Å; P293-Y296 VanDerWaalsContact O-N 3.13Å; Y296-L299 PolarHBondContact O-N 2.76Å; Y296-A300 WeakPolarHBondContact O-CB 3.25Å; Y296-A300 PolarHBondContact O-N 2.99Å; Y296-C315 HydrophobicContact CD1-CB 4.49Å; Y296-T318 HydrophobicContact CD1-CG2 3.86Å; Y296-T318 HydrophobicContact CD2-CG2 4.31Å; Y296-T318 HydrophobicContact CE1-CG2 3.52Å; Y296-T318 HydrophobicContact CE2-CG2 4.03Å; Y296-T318 HydrophobicContact CG-CG2 4.23Å; Y296-L322 HydrophobicContact CD2-CD1 3.68Å; Y296-L322 HydrophobicContact CE2-CD1 3.55Å |
| 297 | C | 96.1 | Very high | 94 | Very high | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.02 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.4 | -172.3 | 0 | 0 | 0 | 0 | 111.7 | P293 D294 A300 N301 S329 | P293-C297 PolarHBondContact O-N 2.72Å; D294-C297 PolarHBondContact O-N 2.85Å; C297-A300 WeakPolarHBondContact O-CB 3.35Å; C297-A300 PolarHBondContact O-N 2.89Å; C297-N301 PolarHBondContact O-N 2.85Å; C297-S329 VanDerWaalsContact CB-OG 3.3Å; C297-S329 WeakPolarHBondContact CB-OG 3.47Å; C297-S329 PolarHBondContact SG-OG 3.08Å |
| 298 | N | 95.8 | Very high | 93.8 | Very high | 49 Ų | 49 | 47.2 Ų | 47.2 | 26% | 0.262 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.6 | -34.9 | 179.7 | -69.7 | -31.7 | 0 | 0 | 0 | 112.8 | Y282 D294 A300 N301 A302 | Y282-N298 HydrophobicContact CD1-CB 4.33Å; Y282-N298 HydrophobicContact CE1-CB 3.59Å; Y282-N298 HydrophobicContact CE2-CB 4.09Å; Y282-N298 VanDerWaalsContact CZ-CB 3.46Å; Y282-N298 WeakPolarHBondContact OH-CB 3.38Å; D294-N298 WeakPolarHBondContact O-CB 3.35Å; D294-N298 VanDerWaalsContact O-CG 3.27Å; D294-N298 PolarHBondContact O-N 2.73Å; D294-N298 PolarHBondContact O-ND2 3.32Å; D294-N298 VanDerWaalsContact O-ND2 3.17Å; N298-A300 VanDerWaalsContact C-N 3.31Å; N298-N301 WeakPolarHBondContact O-CB 3.16Å; N298-N301 PolarHBondContact O-N 3.24Å; N298-A302 PolarHBondContact O-N 2.84Å; N298-A302 VanDerWaalsContact O-N 3.11Å |
| 299 | L | 97.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 4% | 0.037 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 168.7 | 175.2 | 58.3 | 0 | 0 | 0 | 110.9 | I279 Y282 R283 I286 A295 Y296 N301 A302 L303 | I279-L299 HydrophobicContact CB-CD1 4.19Å; I279-L299 HydrophobicContact CG1-CD1 4.14Å; I279-L299 HydrophobicContact CG2-CD1 3.9Å; Y282-L299 HydrophobicContact CD2-CB 4.38Å; Y282-L299 HydrophobicContact CG-CB 4.26Å; R283-L299 HydrophobicContact CG-CD1 4.41Å; R283-L299 HydrophobicContact CG-CD2 4.07Å; I286-L299 HydrophobicContact CD1-CB 4.41Å; I286-L299 HydrophobicContact CD1-CD2 3.69Å; A295-L299 WeakPolarHBondContact O-CB 3.25Å; A295-L299 PolarHBondContact O-N 2.84Å; Y296-L299 PolarHBondContact O-N 2.76Å; L299-N301 VanDerWaalsContact C-N 3.34Å; L299-N301 PolarHBondContact O-N 3.39Å; L299-A302 PolarHBondContact O-N 3.44Å; L299-L303 HydrophobicContact CD1-CD1 3.94Å; L299-L303 HydrophobicContact CD1-CG 4Å; L299-L303 HydrophobicContact CD2-CD1 4.45Å; L299-L303 HydrophobicContact CG-CD1 3.78Å; L299-L303 HydrophobicContact CG-CG 4.31Å; L299-L303 WeakPolarHBondContact O-CB 3.45Å; L299-L303 WeakPolarHBondContact O-CG 3.47Å; L299-L303 PolarHBondContact O-N 3.41Å |
| 300 | A | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.2 | -40.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y296 C297 N298 L303 K304 A312 C315 Y316 | Y296-A300 WeakPolarHBondContact O-CB 3.25Å; Y296-A300 PolarHBondContact O-N 2.99Å; C297-A300 WeakPolarHBondContact O-CB 3.35Å; C297-A300 PolarHBondContact O-N 2.89Å; N298-A300 VanDerWaalsContact C-N 3.31Å; A300-L303 PolarHBondContact O-N 3.33Å; A300-K304 WeakPolarHBondContact O-CB 3.15Å; A300-K304 PolarHBondContact O-N 2.88Å; A300-A312 HydrophobicContact CB-CB 4.3Å; A300-A312 WeakPolarHBondContact CB-O 3.43Å; A300-A312 VanDerWaalsContact O-CB 3.32Å; A300-A312 WeakPolarHBondContact O-CB 3.3Å; A300-C315 HydrophobicContact CB-CB 3.65Å; A300-Y316 HydrophobicContact CB-CD1 3.69Å; A300-Y316 HydrophobicContact CB-CD2 3.78Å; A300-Y316 HydrophobicContact CB-CE1 3.47Å; A300-Y316 VanDerWaalsContact CB-CE1 3.47Å; A300-Y316 HydrophobicContact CB-CE2 3.54Å; A300-Y316 HydrophobicContact CB-CG 3.84Å |
| 301 | N | 94.7 | Very high | 93.4 | Very high | 36 Ų | 36 | 47.2 Ų | 47.2 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.1 | -49.7 | 172.8 | -69.4 | -28.8 | 0 | 0 | 0 | 110.9 | C297 N298 L299 K304 E305 Y316 N332 | C297-N301 PolarHBondContact O-N 2.85Å; N298-N301 WeakPolarHBondContact O-CB 3.16Å; N298-N301 PolarHBondContact O-N 3.24Å; L299-N301 VanDerWaalsContact C-N 3.34Å; L299-N301 PolarHBondContact O-N 3.39Å; N301-K304 PolarHBondContact O-N 2.82Å; N301-E305 PolarHBondContact O-N 3.36Å; N301-Y316 PolarHBondContact N-OH 2.65Å; N301-Y316 PolarHBondContact OD1-OH 3.13Å; N301-N332 PolarHBondContact OD1-ND2 2.89Å |
| 302 | A | 95 | Very high | 93.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113 | Y270 I275 I279 N298 L299 E305 K306 | Y270-A302 HydrophobicContact CD2-CB 3.79Å; Y270-A302 HydrophobicContact CE2-CB 4Å; I275-A302 HydrophobicContact CG2-CB 4.41Å; I275-A302 WeakPolarHBondContact CG2-O 3.3Å; I279-A302 HydrophobicContact CD1-CB 4.45Å; I279-A302 HydrophobicContact CG1-CB 3.79Å; N298-A302 PolarHBondContact O-N 2.84Å; N298-A302 VanDerWaalsContact O-N 3.11Å; L299-A302 PolarHBondContact O-N 3.44Å; A302-E305 PolarHBondContact O-N 3.37Å; A302-K306 PolarHBondContact O-N 3.22Å |
| 303 | L | 94.7 | Very high | 93.5 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.9 | -39.6 | 175.6 | -74.1 | 167.7 | 0 | 0 | 0 | 112.1 | I279 L299 A300 E305 K306 G307 S308 E311 A312 | I279-L303 HydrophobicContact CD1-CD2 3.97Å; I279-L303 HydrophobicContact CD1-CG 4.45Å; I279-L303 HydrophobicContact CG1-CD2 4.35Å; I279-L303 HydrophobicContact CG1-CG 4.49Å; I279-L303 HydrophobicContact CG2-CD2 4.33Å; L299-L303 HydrophobicContact CD1-CD1 3.94Å; L299-L303 HydrophobicContact CD1-CG 4Å; L299-L303 HydrophobicContact CD2-CD1 4.45Å; L299-L303 HydrophobicContact CG-CD1 3.78Å; L299-L303 HydrophobicContact CG-CG 4.31Å; L299-L303 WeakPolarHBondContact O-CB 3.45Å; L299-L303 WeakPolarHBondContact O-CG 3.47Å; L299-L303 PolarHBondContact O-N 3.41Å; A300-L303 PolarHBondContact O-N 3.33Å; L303-E305 VanDerWaalsContact C-N 3.35Å; L303-K306 PolarHBondContact O-N 3Å; L303-G307 PolarHBondContact O-N 3.21Å; L303-S308 PolarHBondContact O-N 3.34Å; L303-E311 HydrophobicContact CD1-CB 3.94Å; L303-E311 HydrophobicContact CD2-CB 4.49Å; L303-A312 HydrophobicContact CB-CB 3.97Å |
| 304 | K | 91.2 | Very high | 93.6 | Very high | 61 Ų | 61 | 45.5 Ų | 45.5 | 27% | 0.265 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 175 | -172.5 | -167.6 | 175.2 | -170.5 | 0 | 110.5 | A300 N301 K306 G307 A312 I336 E339 | A300-K304 WeakPolarHBondContact O-CB 3.15Å; A300-K304 PolarHBondContact O-N 2.88Å; N301-K304 PolarHBondContact O-N 2.82Å; K304-K306 VanDerWaalsContact C-N 3.29Å; K304-K306 PolarHBondContact O-N 2.76Å; K304-G307 WeakPolarHBondContact O-CA 3.41Å; K304-G307 PolarHBondContact O-N 3.01Å; K304-A312 HydrophobicContact CB-CB 4.11Å; K304-I336 HydrophobicContact CD-CD1 4.37Å; K304-I336 HydrophobicContact CD-CG1 4.19Å; K304-E339 WeakPolarHBondContact CE-OE2 3.41Å; K304-E339 IonicContact NZ-OE1 3.96Å; K304-E339 PolarHBondContact NZ-OE1 3.45Å; K304-E339 IonicContact NZ-OE2 2.7Å; K304-E339 PolarHBondContact NZ-OE2 3.12Å |
| 305 | E | 89.7 | Confident | 93.7 | Very high | 117 Ų | 117 | 42.4 Ų | 42.4 | 55% | 0.547 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.9 | -34.2 | 178.7 | -169.5 | 165.7 | 168.2 | 0 | 0 | 112.5 | Y270 I275 N301 A302 L303 G307 | Y270-E305 WeakPolarHBondContact CE2-OE2 3.46Å; Y270-E305 PolarHBondContact OH-OE2 3.12Å; I275-E305 HydrophobicContact CD1-CG 4.37Å; N301-E305 PolarHBondContact O-N 3.36Å; A302-E305 PolarHBondContact O-N 3.37Å; L303-E305 VanDerWaalsContact C-N 3.35Å; E305-G307 PolarHBondContact O-N 2.95Å |
| 306 | K | 90.8 | Very high | 93.9 | Very high | 114 Ų | 114 | 42.3 Ų | 42.3 | 50% | 0.496 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71 | -10.3 | 170.4 | -170.9 | 170.5 | 176.1 | 174.3 | 0 | 113.8 | I275 D276 I279 A302 L303 K304 | I275-K306 HydrophobicContact CG2-CB 4.12Å; D276-K306 VanDerWaalsContact OD1-CE 3.27Å; D276-K306 WeakPolarHBondContact OD1-CE 3.44Å; D276-K306 IonicContact OD1-NZ 2.88Å; D276-K306 PolarHBondContact OD1-NZ 2.94Å; I279-K306 HydrophobicContact CD1-CB 4.29Å; I279-K306 HydrophobicContact CD1-CD 3.61Å; A302-K306 PolarHBondContact O-N 3.22Å; L303-K306 PolarHBondContact O-N 3Å; K304-K306 VanDerWaalsContact C-N 3.29Å; K304-K306 PolarHBondContact O-N 2.76Å |
| 307 | G | 87 | Confident | 93.8 | Very high | 53 Ų | 53 | 43 Ų | 43 | 55% | 0.546 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 87.1 | 5.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L303 K304 E305 V309 | L303-G307 PolarHBondContact O-N 3.21Å; K304-G307 WeakPolarHBondContact O-CA 3.41Å; K304-G307 PolarHBondContact O-N 3.01Å; E305-G307 PolarHBondContact O-N 2.95Å; G307-V309 VanDerWaalsContact C-N 3.25Å; G307-V309 PolarHBondContact O-N 2.6Å |
| 308 | S | 92.1 | Very high | 93.8 | Very high | 37 Ų | 37 | 44.1 Ų | 44.1 | 26% | 0.259 | 25% | 0.249 | S | C | . | . | trans | -84.9 | 63.4 | 177.7 | -58.5 | 0 | 0 | 0 | 0 | 111 | L303 A310 E311 A312 | L303-S308 PolarHBondContact O-N 3.34Å; S308-A310 PolarHBondContact O-N 3.09Å; S308-E311 PolarHBondContact O-N 2.84Å; S308-A312 PolarHBondContact O-N 3.42Å | ||
| 309 | V | 90.4 | Very high | 93.8 | Very high | 50 Ų | 50 | 41.8 Ų | 41.8 | 30% | 0.303 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.1 | -37.9 | -169.3 | -178.5 | 0 | 0 | 0 | 0 | 113.1 | G307 A312 E313 I336 | G307-V309 VanDerWaalsContact C-N 3.25Å; G307-V309 PolarHBondContact O-N 2.6Å; V309-A312 WeakPolarHBondContact O-CB 3.42Å; V309-A312 PolarHBondContact O-N 2.97Å; V309-E313 PolarHBondContact O-N 2.96Å; V309-I336 HydrophobicContact CG1-CD1 4.31Å; V309-I336 HydrophobicContact CG1-CG2 3.84Å |
| 310 | A | 91 | Very high | 93.7 | Very high | 71 Ų | 71 | 42.6 Ų | 42.6 | 59% | 0.587 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -64.1 | -46.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | S308 A312 E313 D314 | S308-A310 PolarHBondContact O-N 3.09Å; A310-A312 VanDerWaalsContact C-N 3.33Å; A310-A312 PolarHBondContact O-N 3.42Å; A310-E313 WeakPolarHBondContact O-CB 3.43Å; A310-E313 PolarHBondContact O-N 3.24Å; A310-D314 PolarHBondContact O-N 3.17Å; A310-D314 VanDerWaalsContact O-N 3.11Å |
| 311 | E | 94.3 | Very high | 93.8 | Very high | 91 Ų | 91 | 51.3 Ų | 51.3 | 43% | 0.425 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 176 | -68.3 | -176 | -142.1 | 0 | 0 | 111.6 | R283 L303 S308 E313 D314 C315 | R283-E311 IonicContact NH2-OE2 3.63Å; R283-E311 PolarHBondContact NH2-OE2 3.18Å; R283-E311 VanDerWaalsContact NH2-OE2 3.15Å; L303-E311 HydrophobicContact CD1-CB 3.94Å; L303-E311 HydrophobicContact CD2-CB 4.49Å; S308-E311 PolarHBondContact O-N 2.84Å; E311-E313 VanDerWaalsContact C-N 3.29Å; E311-E313 PolarHBondContact O-N 2.9Å; E311-D314 PolarHBondContact O-N 3.31Å; E311-C315 PolarHBondContact O-N 2.98Å; E311-C315 PolarHBondContact O-SG 3.47Å; E311-C315 VanDerWaalsContact O-SG 3.4Å |
| 312 | A | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59.4 | -42.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | A300 L303 K304 S308 V309 A310 C315 Y316 I336 | A300-A312 HydrophobicContact CB-CB 4.3Å; A300-A312 WeakPolarHBondContact CB-O 3.43Å; A300-A312 VanDerWaalsContact O-CB 3.32Å; A300-A312 WeakPolarHBondContact O-CB 3.3Å; L303-A312 HydrophobicContact CB-CB 3.97Å; K304-A312 HydrophobicContact CB-CB 4.11Å; S308-A312 PolarHBondContact O-N 3.42Å; V309-A312 WeakPolarHBondContact O-CB 3.42Å; V309-A312 PolarHBondContact O-N 2.97Å; A310-A312 VanDerWaalsContact C-N 3.33Å; A310-A312 PolarHBondContact O-N 3.42Å; A312-C315 PolarHBondContact O-N 2.78Å; A312-Y316 HydrophobicContact CB-CE2 4.42Å; A312-Y316 WeakPolarHBondContact O-CD2 3.37Å; A312-Y316 PolarHBondContact O-N 2.75Å; A312-I336 HydrophobicContact CB-CD1 4.23Å |
| 313 | E | 94.3 | Very high | 93.8 | Very high | 35 Ų | 35 | 53.5 Ų | 53.5 | 16% | 0.164 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.1 | -45.9 | 176.6 | -156.8 | -173.9 | 135.6 | 0 | 0 | 112 | V309 A310 E311 C315 Y316 N317 L333 K337 Q340 | V309-E313 PolarHBondContact O-N 2.96Å; A310-E313 WeakPolarHBondContact O-CB 3.43Å; A310-E313 PolarHBondContact O-N 3.24Å; E311-E313 VanDerWaalsContact C-N 3.29Å; E311-E313 PolarHBondContact O-N 2.9Å; E313-C315 VanDerWaalsContact C-N 3.3Å; E313-C315 PolarHBondContact O-N 3.09Å; E313-Y316 PolarHBondContact O-N 3.32Å; E313-N317 WeakPolarHBondContact O-CB 3.18Å; E313-N317 PolarHBondContact O-N 3.41Å; E313-N317 PolarHBondContact O-ND2 3Å; E313-N317 VanDerWaalsContact O-ND2 3.13Å; E313-L333 HydrophobicContact CG-CD1 3.49Å; E313-L333 VanDerWaalsContact CG-CD1 3.49Å; E313-K337 VanDerWaalsContact OE1-CE 3.28Å; E313-K337 WeakPolarHBondContact OE1-CE 3.49Å; E313-K337 IonicContact OE1-NZ 3.78Å; E313-K337 PolarHBondContact OE1-NZ 2.87Å; E313-K337 IonicContact OE2-NZ 3.72Å; E313-K337 PolarHBondContact OE2-NZ 3.47Å; E313-Q340 PolarHBondContact OE2-NE2 3.04Å |
| 314 | D | 95.4 | Very high | 93.7 | Very high | 103 Ų | 103 | 56.8 Ų | 56.8 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.3 | -38.6 | 176.4 | -75.2 | -24.1 | 0 | 0 | 0 | 112.2 | A310 E311 N317 T318 | A310-D314 PolarHBondContact O-N 3.17Å; A310-D314 VanDerWaalsContact O-N 3.11Å; E311-D314 PolarHBondContact O-N 3.31Å; D314-N317 PolarHBondContact O-N 3.02Å; D314-T318 WeakPolarHBondContact O-CB 3.32Å; D314-T318 PolarHBondContact O-N 3.37Å; D314-T318 PolarHBondContact O-OG1 2.56Å |
| 315 | C | 96.3 | Very high | 93.9 | Very high | 16 Ų | 16 | 58.2 Ų | 58.2 | 11% | 0.108 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.4 | -45.4 | 174.6 | -72.6 | 0 | 0 | 0 | 0 | 111.9 | Y296 A300 E311 A312 E313 N317 T318 A319 | Y296-C315 HydrophobicContact CD1-CB 4.49Å; A300-C315 HydrophobicContact CB-CB 3.65Å; E311-C315 PolarHBondContact O-N 2.98Å; E311-C315 PolarHBondContact O-SG 3.47Å; E311-C315 VanDerWaalsContact O-SG 3.4Å; A312-C315 PolarHBondContact O-N 2.78Å; E313-C315 VanDerWaalsContact C-N 3.3Å; E313-C315 PolarHBondContact O-N 3.09Å; C315-N317 PolarHBondContact O-N 3.49Å; C315-T318 PolarHBondContact O-N 3.33Å; C315-A319 PolarHBondContact O-N 2.98Å |
| 316 | Y | 96.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 0% | 0.004 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 174.2 | -70.6 | -56.2 | 0 | 0 | 0 | 112.2 | A300 N301 A312 E313 T318 A319 L320 N332 L333 I336 | A300-Y316 HydrophobicContact CB-CD1 3.69Å; A300-Y316 HydrophobicContact CB-CD2 3.78Å; A300-Y316 HydrophobicContact CB-CE1 3.47Å; A300-Y316 VanDerWaalsContact CB-CE1 3.47Å; A300-Y316 HydrophobicContact CB-CE2 3.54Å; A300-Y316 HydrophobicContact CB-CG 3.84Å; N301-Y316 PolarHBondContact N-OH 2.65Å; N301-Y316 PolarHBondContact OD1-OH 3.13Å; A312-Y316 HydrophobicContact CB-CE2 4.42Å; A312-Y316 WeakPolarHBondContact O-CD2 3.37Å; A312-Y316 PolarHBondContact O-N 2.75Å; E313-Y316 PolarHBondContact O-N 3.32Å; Y316-T318 PolarHBondContact O-N 2.81Å; Y316-A319 WeakPolarHBondContact O-CB 3.34Å; Y316-A319 PolarHBondContact O-N 2.63Å; Y316-L320 WeakPolarHBondContact O-CB 3.19Å; Y316-L320 VanDerWaalsContact O-CG 3.31Å; Y316-L320 WeakPolarHBondContact O-CG 3.44Å; Y316-L320 PolarHBondContact O-N 2.88Å; Y316-N332 HydrophobicContact CD1-CB 4.4Å; Y316-N332 HydrophobicContact CE1-CB 3.58Å; Y316-N332 HydrophobicContact CE2-CB 4.21Å; Y316-N332 VanDerWaalsContact CZ-CB 3.48Å; Y316-N332 WeakPolarHBondContact OH-CB 3.47Å; Y316-L333 HydrophobicContact CD2-CD1 4.49Å; Y316-L333 HydrophobicContact CG-CB 4.39Å; Y316-I336 HydrophobicContact CD2-CD1 3.96Å; Y316-I336 HydrophobicContact CE2-CD1 3.59Å |
| 317 | N | 96 | Very high | 94.2 | Very high | 55 Ų | 55 | 48.9 Ų | 48.9 | 29% | 0.294 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -60.9 | -36 | 176.6 | -76.2 | -40.2 | 0 | 0 | 0 | 111.3 | E313 D314 C315 L320 R321 | E313-N317 WeakPolarHBondContact O-CB 3.18Å; E313-N317 PolarHBondContact O-N 3.41Å; E313-N317 PolarHBondContact O-ND2 3Å; E313-N317 VanDerWaalsContact O-ND2 3.13Å; D314-N317 PolarHBondContact O-N 3.02Å; C315-N317 PolarHBondContact O-N 3.49Å; N317-L320 PolarHBondContact O-N 3.31Å; N317-R321 WeakPolarHBondContact O-CG 3.3Å; N317-R321 PolarHBondContact O-N 3.36Å |
| 318 | T | 96.4 | Very high | 94.5 | Very high | 26 Ų | 26 | 50.3 Ų | 50.3 | 16% | 0.16 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.9 | -45.6 | 174.6 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | Y296 D314 C315 Y316 L320 R321 L322 | Y296-T318 HydrophobicContact CD1-CG2 3.86Å; Y296-T318 HydrophobicContact CD2-CG2 4.31Å; Y296-T318 HydrophobicContact CE1-CG2 3.52Å; Y296-T318 HydrophobicContact CE2-CG2 4.03Å; Y296-T318 HydrophobicContact CG-CG2 4.23Å; D314-T318 WeakPolarHBondContact O-CB 3.32Å; D314-T318 PolarHBondContact O-N 3.37Å; D314-T318 PolarHBondContact O-OG1 2.56Å; C315-T318 PolarHBondContact O-N 3.33Å; Y316-T318 PolarHBondContact O-N 2.81Å; T318-L320 VanDerWaalsContact C-N 3.26Å; T318-L320 PolarHBondContact O-N 3.09Å; T318-R321 PolarHBondContact O-N 2.89Å; T318-R321 VanDerWaalsContact O-N 3.14Å; T318-R321 PolarHBondContact OG1-NH2 2.82Å; T318-L322 HydrophobicContact CG2-CD1 4.3Å; T318-L322 VanDerWaalsContact O-CG 3.32Å; T318-L322 WeakPolarHBondContact O-CG 3.48Å; T318-L322 PolarHBondContact O-N 2.87Å |
| 319 | A | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -54.4 | -44 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C315 Y316 L322 C323 S329 | C315-A319 PolarHBondContact O-N 2.98Å; Y316-A319 WeakPolarHBondContact O-CB 3.34Å; Y316-A319 PolarHBondContact O-N 2.63Å; A319-L322 PolarHBondContact O-N 2.61Å; A319-C323 PolarHBondContact O-N 3.48Å; A319-S329 WeakPolarHBondContact CB-OG 3.33Å |
| 320 | L | 95.4 | Very high | 95 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 13% | 0.126 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -73.5 | -26.4 | 179.3 | -66.3 | 173.5 | 0 | 0 | 0 | 114.2 | Y316 N317 T318 C323 P324 H326 L330 L333 | Y316-L320 WeakPolarHBondContact O-CB 3.19Å; Y316-L320 VanDerWaalsContact O-CG 3.31Å; Y316-L320 WeakPolarHBondContact O-CG 3.44Å; Y316-L320 PolarHBondContact O-N 2.88Å; N317-L320 PolarHBondContact O-N 3.31Å; T318-L320 VanDerWaalsContact C-N 3.26Å; T318-L320 PolarHBondContact O-N 3.09Å; L320-C323 CarbonylContact O-C 3.32Å; L320-P324 WeakPolarHBondContact O-CA 3.4Å; L320-P324 VanDerWaalsContact O-N 3.15Å; L320-H326 HydrophobicContact CD2-CB 4.28Å; L320-L330 HydrophobicContact CD1-CD2 3.84Å; L320-L330 HydrophobicContact CD1-CG 4.47Å; L320-L330 HydrophobicContact CD2-CD2 3.69Å; L320-L330 HydrophobicContact CD2-CG 3.63Å; L320-L330 HydrophobicContact CG-CD2 4.43Å; L320-L333 HydrophobicContact CD1-CD2 3.79Å |
| 321 | R | 96.6 | Very high | 95.2 | Very high | 183 Ų | 183 | 43.1 Ų | 43.1 | 69% | 0.691 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -68.9 | -38.3 | 169.2 | -81.2 | -175 | -64.3 | -147.3 | -0.5 | 111.7 | N317 T318 | N317-R321 WeakPolarHBondContact O-CG 3.3Å; N317-R321 PolarHBondContact O-N 3.36Å; T318-R321 PolarHBondContact O-N 2.89Å; T318-R321 VanDerWaalsContact O-N 3.14Å; T318-R321 PolarHBondContact OG1-NH2 2.82Å |
| 322 | L | 95.1 | Very high | 95.3 | Very high | 46 Ų | 46 | 40.2 Ų | 40.2 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -74.7 | -42.4 | 178.7 | -61 | 171.5 | 0 | 0 | 0 | 111.2 | H291 P293 Y296 T318 A319 | H291-L322 WeakPolarHBondContact ND1-CD2 3.46Å; P293-L322 HydrophobicContact CG-CB 3.93Å; Y296-L322 HydrophobicContact CD2-CD1 3.68Å; Y296-L322 HydrophobicContact CE2-CD1 3.55Å; T318-L322 HydrophobicContact CG2-CD1 4.3Å; T318-L322 VanDerWaalsContact O-CG 3.32Å; T318-L322 WeakPolarHBondContact O-CG 3.48Å; T318-L322 PolarHBondContact O-N 2.87Å; A319-L322 PolarHBondContact O-N 2.61Å |
| 323 | C | 94.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 40.4 Ų | 40.4 | 24% | 0.243 | 21% | 0.214 | C | C | . | . | trans | -136.1 | 94.3 | 177.8 | -175.6 | 0 | 0 | 0 | 0 | 110.4 | P293 A319 L320 T325 H326 | P293-C323 HydrophobicContact CB-CB 3.99Å; P293-C323 HydrophobicContact CG-CB 3.7Å; A319-C323 PolarHBondContact O-N 3.48Å; L320-C323 CarbonylContact O-C 3.32Å; C323-T325 PolarHBondContact O-N 3.35Å; C323-T325 PolarHBondContact SG-OG1 3.07Å; C323-H326 HydrophobicContact CB-CB 4.15Å; C323-H326 WeakPolarHBondContact O-CB 3.38Å; C323-H326 PolarHBondContact O-N 3.46Å | ||
| 324 | P | 93.9 | Very high | 95.4 | Very high | 74 Ų | 74 | 38.8 Ų | 38.8 | 48% | 0.481 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -15.9 | -179.5 | -26.2 | 35.2 | 0 | 0 | 0 | 115.3 | L320 | L320-P324 WeakPolarHBondContact O-CA 3.4Å; L320-P324 VanDerWaalsContact O-N 3.15Å |
| 325 | T | 94.1 | Very high | 95.3 | Very high | 91 Ų | 91 | 34.8 Ų | 34.8 | 56% | 0.558 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.8 | 22.9 | 178.6 | 56.6 | 0 | 0 | 0 | 0 | 112.2 | C323 A327 V356 | C323-T325 PolarHBondContact O-N 3.35Å; C323-T325 PolarHBondContact SG-OG1 3.07Å; T325-A327 PolarHBondContact O-N 3.46Å; T325-V356 HydrophobicContact CG2-CG2 4.27Å; T325-V356 WeakPolarHBondContact O-CG1 3.48Å |
| 326 | H | 93.9 | Very high | 95.1 | Very high | 23 Ų | 23 | 34 Ų | 34 | 11% | 0.106 | 18% | 0.18 | C | C | . | . | trans | -82.6 | 94.5 | 176.6 | -166.2 | -95 | 0 | 0 | 0 | 110.9 | D294 L320 C323 D328 S329 L330 | D294-H326 IonicContact OD1-CD2 3.77Å; D294-H326 IonicContact OD1-NE2 3.55Å; D294-H326 PolarHBondContact OD1-NE2 3.09Å; L320-H326 HydrophobicContact CD2-CB 4.28Å; C323-H326 HydrophobicContact CB-CB 4.15Å; C323-H326 WeakPolarHBondContact O-CB 3.38Å; C323-H326 PolarHBondContact O-N 3.46Å; H326-D328 PolarHBondContact O-N 2.71Å; H326-S329 PolarHBondContact CE1-OG 3.04Å; H326-S329 WeakPolarHBondContact ND1-CB 3.43Å; H326-S329 PolarHBondContact ND1-N 3.19Å; H326-S329 PolarHBondContact ND1-OG 2.87Å; H326-S329 PolarHBondContact O-N 3.41Å; H326-L330 PolarHBondContact O-N 3.37Å | ||
| 327 | A | 93.7 | Very high | 94.8 | Very high | 12 Ų | 12 | 35.4 Ų | 35.4 | 10% | 0.099 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.4 | -42.8 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | T325 S329 L330 N331 V356 F357 F360 | T325-A327 PolarHBondContact O-N 3.46Å; A327-S329 VanDerWaalsContact C-N 3.34Å; A327-S329 PolarHBondContact O-N 3.28Å; A327-L330 WeakPolarHBondContact O-CB 3.45Å; A327-L330 PolarHBondContact O-N 3.02Å; A327-N331 PolarHBondContact O-N 3.26Å; A327-V356 HydrophobicContact CB-CG1 4.19Å; A327-F357 HydrophobicContact CB-CB 3.89Å; A327-F360 HydrophobicContact CB-CD1 4.28Å; A327-F360 HydrophobicContact CB-CE1 4.27Å |
| 328 | D | 93.9 | Very high | 94.5 | Very high | 82 Ų | 82 | 35.8 Ų | 35.8 | 44% | 0.439 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 179.6 | -68.2 | -68.4 | 0 | 0 | 0 | 112.2 | H326 N331 N332 F360 | H326-D328 PolarHBondContact O-N 2.71Å; D328-N331 PolarHBondContact O-N 3.04Å; D328-N332 WeakPolarHBondContact O-CB 3.22Å; D328-N332 VanDerWaalsContact O-CG 3.26Å; D328-N332 PolarHBondContact O-N 3.45Å; D328-F360 WeakPolarHBondContact OD1-CZ 3.33Å |
| 329 | S | 95.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.4 | -36.6 | 176.5 | -63.7 | 0 | 0 | 0 | 0 | 112.2 | C297 A319 H326 A327 L333 | C297-S329 VanDerWaalsContact CB-OG 3.3Å; C297-S329 WeakPolarHBondContact CB-OG 3.47Å; C297-S329 PolarHBondContact SG-OG 3.08Å; A319-S329 WeakPolarHBondContact CB-OG 3.33Å; H326-S329 PolarHBondContact CE1-OG 3.04Å; H326-S329 WeakPolarHBondContact ND1-CB 3.43Å; H326-S329 PolarHBondContact ND1-N 3.19Å; H326-S329 PolarHBondContact ND1-OG 2.87Å; H326-S329 PolarHBondContact O-N 3.41Å; A327-S329 VanDerWaalsContact C-N 3.34Å; A327-S329 PolarHBondContact O-N 3.28Å; S329-L333 WeakPolarHBondContact O-CB 3.34Å; S329-L333 PolarHBondContact O-N 2.86Å |
| 330 | L | 97.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -48.8 | 174.4 | -70.2 | 169.4 | 0 | 0 | 0 | 111.2 | L320 H326 A327 A334 L349 K352 A353 V356 | L320-L330 HydrophobicContact CD1-CD2 3.84Å; L320-L330 HydrophobicContact CD1-CG 4.47Å; L320-L330 HydrophobicContact CD2-CD2 3.69Å; L320-L330 HydrophobicContact CD2-CG 3.63Å; L320-L330 HydrophobicContact CG-CD2 4.43Å; H326-L330 PolarHBondContact O-N 3.37Å; A327-L330 WeakPolarHBondContact O-CB 3.45Å; A327-L330 PolarHBondContact O-N 3.02Å; L330-A334 WeakPolarHBondContact O-CB 3.27Å; L330-A334 PolarHBondContact O-N 3.13Å; L330-L349 HydrophobicContact CD2-CD2 3.99Å; L330-K352 HydrophobicContact CD1-CB 4.25Å; L330-K352 HydrophobicContact CD1-CD 4.25Å; L330-K352 HydrophobicContact CD1-CG 3.88Å; L330-K352 HydrophobicContact CD2-CB 4.48Å; L330-K352 HydrophobicContact CD2-CD 3.9Å; L330-K352 HydrophobicContact CD2-CG 4.3Å; L330-A353 HydrophobicContact CB-CB 3.71Å; L330-A353 HydrophobicContact CD1-CB 4.43Å; L330-V356 HydrophobicContact CD1-CG2 4.3Å |
| 331 | N | 95.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 45 Ų | 45 | 3% | 0.032 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.1 | -43.5 | 178.9 | 173.3 | 78.8 | 0 | 0 | 0 | 112.3 | A327 D328 A334 N335 Y350 A353 F360 A363 N366 | A327-N331 PolarHBondContact O-N 3.26Å; D328-N331 PolarHBondContact O-N 3.04Å; N331-A334 WeakPolarHBondContact O-CB 3.25Å; N331-A334 PolarHBondContact O-N 2.7Å; N331-N335 PolarHBondContact O-N 2.82Å; N331-N335 PolarHBondContact O-ND2 2.84Å; N331-Y350 WeakPolarHBondContact OD1-CE1 3.33Å; N331-A353 HydrophobicContact CB-CB 4.41Å; N331-F360 HydrophobicContact CB-CD1 4.47Å; N331-F360 HydrophobicContact CB-CE1 3.66Å; N331-F360 HydrophobicContact CB-CZ 4.05Å; N331-A363 HydrophobicContact CB-CB 4.45Å; N331-A363 WeakPolarHBondContact OD1-CA 3.39Å; N331-N366 PolarHBondContact OD1-ND2 2.86Å |
| 332 | N | 95.3 | Very high | 92.2 | Very high | 29 Ų | 29 | 40 Ų | 40 | 16% | 0.155 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.9 | -35.2 | -177.3 | -67.6 | -8.4 | 0 | 0 | 0 | 112.3 | N301 Y316 D328 A334 N335 I336 | N301-N332 PolarHBondContact OD1-ND2 2.89Å; Y316-N332 HydrophobicContact CD1-CB 4.4Å; Y316-N332 HydrophobicContact CE1-CB 3.58Å; Y316-N332 HydrophobicContact CE2-CB 4.21Å; Y316-N332 VanDerWaalsContact CZ-CB 3.48Å; Y316-N332 WeakPolarHBondContact OH-CB 3.47Å; D328-N332 WeakPolarHBondContact O-CB 3.22Å; D328-N332 VanDerWaalsContact O-CG 3.26Å; D328-N332 PolarHBondContact O-N 3.45Å; N332-A334 VanDerWaalsContact C-N 3.33Å; N332-N335 WeakPolarHBondContact O-CB 3.47Å; N332-N335 PolarHBondContact O-N 2.86Å; N332-I336 PolarHBondContact O-N 2.85Å; N332-I336 VanDerWaalsContact O-N 3.13Å |
| 333 | L | 96.1 | Very high | 91.8 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.026 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.9 | -40.5 | 169.8 | -176.4 | 61.3 | 0 | 0 | 0 | 111.1 | E313 Y316 L320 S329 N335 I336 K337 L349 | E313-L333 HydrophobicContact CG-CD1 3.49Å; E313-L333 VanDerWaalsContact CG-CD1 3.49Å; Y316-L333 HydrophobicContact CD2-CD1 4.49Å; Y316-L333 HydrophobicContact CG-CB 4.39Å; L320-L333 HydrophobicContact CD1-CD2 3.79Å; S329-L333 WeakPolarHBondContact O-CB 3.34Å; S329-L333 PolarHBondContact O-N 2.86Å; L333-N335 VanDerWaalsContact C-N 3.31Å; L333-N335 PolarHBondContact O-N 3.31Å; L333-I336 PolarHBondContact O-N 2.98Å; L333-I336 VanDerWaalsContact O-N 3.17Å; L333-K337 WeakPolarHBondContact O-CG 3.1Å; L333-K337 PolarHBondContact O-N 2.92Å; L333-L349 HydrophobicContact CB-CD1 4.28Å; L333-L349 HydrophobicContact CD2-CD1 3.95Å; L333-L349 HydrophobicContact CD2-CD2 4.23Å; L333-L349 HydrophobicContact CG-CD1 3.75Å |
| 334 | A | 95.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 111.9 | L330 N331 N332 I336 K337 R338 A346 L349 Y350 | L330-A334 WeakPolarHBondContact O-CB 3.27Å; L330-A334 PolarHBondContact O-N 3.13Å; N331-A334 WeakPolarHBondContact O-CB 3.25Å; N331-A334 PolarHBondContact O-N 2.7Å; N332-A334 VanDerWaalsContact C-N 3.33Å; A334-I336 VanDerWaalsContact C-N 3.35Å; A334-I336 PolarHBondContact O-N 3.18Å; A334-K337 PolarHBondContact O-N 3.1Å; A334-R338 WeakPolarHBondContact O-CB 3.26Å; A334-R338 PolarHBondContact O-N 3.04Å; A334-A346 WeakPolarHBondContact O-CB 3.11Å; A334-L349 HydrophobicContact CB-CB 3.59Å; A334-L349 HydrophobicContact CB-CD1 4.41Å; A334-Y350 HydrophobicContact CB-CD1 3.5Å; A334-Y350 HydrophobicContact CB-CD2 3.93Å; A334-Y350 HydrophobicContact CB-CE1 3.39Å; A334-Y350 HydrophobicContact CB-CE2 3.83Å; A334-Y350 HydrophobicContact CB-CG 3.76Å |
| 335 | N | 93.4 | Very high | 91.4 | Very high | 20 Ų | 20 | 44.1 Ų | 44.1 | 11% | 0.107 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -44.1 | 174.4 | -67.6 | -30.2 | 0 | 0 | 0 | 111.8 | N331 N332 L333 R338 E339 Y350 N366 | N331-N335 PolarHBondContact O-N 2.82Å; N331-N335 PolarHBondContact O-ND2 2.84Å; N332-N335 WeakPolarHBondContact O-CB 3.47Å; N332-N335 PolarHBondContact O-N 2.86Å; L333-N335 VanDerWaalsContact C-N 3.31Å; L333-N335 PolarHBondContact O-N 3.31Å; N335-R338 WeakPolarHBondContact O-CB 3.41Å; N335-R338 PolarHBondContact O-N 3.23Å; N335-E339 VanDerWaalsContact O-CG 3.31Å; N335-E339 WeakPolarHBondContact O-CG 3.46Å; N335-E339 PolarHBondContact O-N 2.99Å; N335-Y350 WeakPolarHBondContact CA-OH 3.48Å; N335-Y350 PolarHBondContact N-OH 2.67Å; N335-Y350 WeakPolarHBondContact OD1-CE1 3.3Å; N335-Y350 PolarHBondContact OD1-OH 3.17Å; N335-N366 PolarHBondContact OD1-ND2 2.8Å |
| 336 | I | 91.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -46.3 | 175.6 | -71.7 | -179.2 | 0 | 0 | 0 | 110.8 | K304 V309 A312 Y316 N332 L333 A334 R338 E339 Q340 | K304-I336 HydrophobicContact CD-CD1 4.37Å; K304-I336 HydrophobicContact CD-CG1 4.19Å; V309-I336 HydrophobicContact CG1-CD1 4.31Å; V309-I336 HydrophobicContact CG1-CG2 3.84Å; A312-I336 HydrophobicContact CB-CD1 4.23Å; Y316-I336 HydrophobicContact CD2-CD1 3.96Å; Y316-I336 HydrophobicContact CE2-CD1 3.59Å; N332-I336 PolarHBondContact O-N 2.85Å; N332-I336 VanDerWaalsContact O-N 3.13Å; L333-I336 PolarHBondContact O-N 2.98Å; L333-I336 VanDerWaalsContact O-N 3.17Å; A334-I336 VanDerWaalsContact C-N 3.35Å; A334-I336 PolarHBondContact O-N 3.18Å; I336-R338 VanDerWaalsContact C-N 3.28Å; I336-R338 PolarHBondContact O-N 3.24Å; I336-E339 PolarHBondContact O-N 3.36Å; I336-E339 VanDerWaalsContact O-N 3.15Å; I336-Q340 HydrophobicContact CG2-CG 4.28Å; I336-Q340 WeakPolarHBondContact O-CB 3.46Å; I336-Q340 WeakPolarHBondContact O-CG 3.37Å; I336-Q340 PolarHBondContact O-N 3.15Å |
| 337 | K | 91.5 | Very high | 91.4 | Very high | 30 Ų | 30 | 39.1 Ų | 39.1 | 13% | 0.13 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.5 | -37.7 | 178.5 | -67.8 | -59.1 | 176.7 | -163.6 | 0 | 112.3 | E313 L333 A334 Q340 G341 N342 E345 A346 L349 | E313-K337 VanDerWaalsContact OE1-CE 3.28Å; E313-K337 WeakPolarHBondContact OE1-CE 3.49Å; E313-K337 IonicContact OE1-NZ 3.78Å; E313-K337 PolarHBondContact OE1-NZ 2.87Å; E313-K337 IonicContact OE2-NZ 3.72Å; E313-K337 PolarHBondContact OE2-NZ 3.47Å; L333-K337 WeakPolarHBondContact O-CG 3.1Å; L333-K337 PolarHBondContact O-N 2.92Å; A334-K337 PolarHBondContact O-N 3.1Å; K337-Q340 PolarHBondContact O-N 2.74Å; K337-G341 PolarHBondContact O-N 3.2Å; K337-N342 HydrophobicContact CB-CB 4.3Å; K337-N342 HydrophobicContact CD-CB 4.33Å; K337-N342 WeakPolarHBondContact O-CA 3.49Å; K337-N342 PolarHBondContact O-N 3.24Å; K337-E345 HydrophobicContact CD-CG 4.36Å; K337-E345 HydrophobicContact CG-CG 4.09Å; K337-A346 HydrophobicContact CB-CB 4.06Å; K337-L349 HydrophobicContact CG-CD1 3.94Å |
| 338 | R | 88 | Confident | 91.5 | Very high | 62 Ų | 62 | 45.9 Ų | 45.9 | 23% | 0.234 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -48.7 | 172.2 | -175 | -174.9 | 71.5 | -173.6 | -0.1 | 111.4 | A334 N335 I336 Q340 G341 I343 A346 N366 V370 | A334-R338 WeakPolarHBondContact O-CB 3.26Å; A334-R338 PolarHBondContact O-N 3.04Å; N335-R338 WeakPolarHBondContact O-CB 3.41Å; N335-R338 PolarHBondContact O-N 3.23Å; I336-R338 VanDerWaalsContact C-N 3.28Å; I336-R338 PolarHBondContact O-N 3.24Å; R338-Q340 VanDerWaalsContact C-N 3.25Å; R338-Q340 PolarHBondContact O-N 3.46Å; R338-G341 PolarHBondContact O-N 3.13Å; R338-I343 HydrophobicContact CG-CD1 4.4Å; R338-A346 HydrophobicContact CB-CB 3.97Å; R338-N366 PolarHBondContact NH1-OD1 3.45Å; R338-V370 HydrophobicContact CG-CG2 3.95Å |
| 339 | E | 85.2 | Confident | 91.6 | Very high | 114 Ų | 114 | 42.5 Ų | 42.5 | 53% | 0.533 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.8 | -30.9 | 178.1 | -72.5 | 165 | -163.8 | 0 | 0 | 112.5 | K304 N335 I336 G341 | K304-E339 WeakPolarHBondContact CE-OE2 3.41Å; K304-E339 IonicContact NZ-OE1 3.96Å; K304-E339 PolarHBondContact NZ-OE1 3.45Å; K304-E339 IonicContact NZ-OE2 2.7Å; K304-E339 PolarHBondContact NZ-OE2 3.12Å; N335-E339 VanDerWaalsContact O-CG 3.31Å; N335-E339 WeakPolarHBondContact O-CG 3.46Å; N335-E339 PolarHBondContact O-N 2.99Å; I336-E339 PolarHBondContact O-N 3.36Å; I336-E339 VanDerWaalsContact O-N 3.15Å; E339-G341 VanDerWaalsContact C-N 3.29Å; E339-G341 PolarHBondContact O-N 3.15Å |
| 340 | Q | 85.4 | Confident | 91.7 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 38% | 0.383 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -5.5 | 173 | -69.5 | 172.6 | -7.2 | 0 | 0 | 113.9 | E313 I336 K337 R338 N342 | E313-Q340 PolarHBondContact OE2-NE2 3.04Å; I336-Q340 HydrophobicContact CG2-CG 4.28Å; I336-Q340 WeakPolarHBondContact O-CB 3.46Å; I336-Q340 WeakPolarHBondContact O-CG 3.37Å; I336-Q340 PolarHBondContact O-N 3.15Å; K337-Q340 PolarHBondContact O-N 2.74Å; R338-Q340 VanDerWaalsContact C-N 3.25Å; R338-Q340 PolarHBondContact O-N 3.46Å; Q340-N342 VanDerWaalsContact C-N 3.35Å |
| 341 | G | 79.1 | Confident | 91.7 | Very high | 48 Ų | 48 | 47.5 Ų | 47.5 | 50% | 0.495 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.7 | 4.8 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | K337 R338 E339 I343 | K337-G341 PolarHBondContact O-N 3.2Å; R338-G341 PolarHBondContact O-N 3.13Å; E339-G341 VanDerWaalsContact C-N 3.29Å; E339-G341 PolarHBondContact O-N 3.15Å; G341-I343 VanDerWaalsContact C-N 3.27Å; G341-I343 PolarHBondContact O-N 2.86Å |
| 342 | N | 87.7 | Confident | 91.7 | Very high | 77 Ų | 77 | 51.5 Ų | 51.5 | 41% | 0.412 | 24% | 0.244 | S | C | . | . | trans | -82.7 | 69.8 | 176.3 | -66.6 | -42.5 | 0 | 0 | 0 | 110.3 | K337 Q340 E345 A346 | K337-N342 HydrophobicContact CB-CB 4.3Å; K337-N342 HydrophobicContact CD-CB 4.33Å; K337-N342 WeakPolarHBondContact O-CA 3.49Å; K337-N342 PolarHBondContact O-N 3.24Å; Q340-N342 VanDerWaalsContact C-N 3.35Å; N342-E345 HydrophobicContact CB-CB 4.37Å; N342-E345 PolarHBondContact O-N 2.85Å; N342-A346 PolarHBondContact O-N 3.25Å | ||
| 343 | I | 86.5 | Confident | 91.8 | Very high | 39 Ų | 39 | 50.1 Ų | 50.1 | 20% | 0.2 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.3 | -43.2 | -167 | -55.8 | -54.4 | 0 | 0 | 0 | 112.7 | R338 G341 E345 A346 V347 V370 Q374 | R338-I343 HydrophobicContact CG-CD1 4.4Å; G341-I343 VanDerWaalsContact C-N 3.27Å; G341-I343 PolarHBondContact O-N 2.86Å; I343-E345 VanDerWaalsContact C-N 3.28Å; I343-E345 PolarHBondContact O-N 3.13Å; I343-A346 PolarHBondContact O-N 3.37Å; I343-V347 WeakPolarHBondContact O-CG2 3.45Å; I343-V347 PolarHBondContact O-N 3.34Å; I343-V370 HydrophobicContact CG2-CG1 3.49Å; I343-V370 VanDerWaalsContact CG2-CG1 3.49Å; I343-Q374 HydrophobicContact CG2-CG 4.45Å |
| 344 | E | 89 | Confident | 91.8 | Very high | 145 Ų | 145 | 50.8 Ų | 50.8 | 68% | 0.678 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.4 | -41.3 | -179.2 | -66.4 | 70.9 | -154.2 | 0 | 0 | 111.3 | V347 R348 | E344-V347 PolarHBondContact O-N 2.9Å; E344-R348 PolarHBondContact O-N 3.06Å |
| 345 | E | 90.8 | Very high | 91.8 | Very high | 59 Ų | 59 | 58 Ų | 58 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -69.5 | -40.7 | 179.3 | -176 | 56.5 | -161.7 | 0 | 0 | 111.4 | K337 N342 I343 V347 R348 L349 | K337-E345 HydrophobicContact CD-CG 4.36Å; K337-E345 HydrophobicContact CG-CG 4.09Å; N342-E345 HydrophobicContact CB-CB 4.37Å; N342-E345 PolarHBondContact O-N 2.85Å; I343-E345 VanDerWaalsContact C-N 3.28Å; I343-E345 PolarHBondContact O-N 3.13Å; E345-V347 PolarHBondContact O-N 3.42Å; E345-R348 VanDerWaalsContact CD-NH2 3.25Å; E345-R348 WeakPolarHBondContact O-CB 3.45Å; E345-R348 PolarHBondContact O-N 2.83Å; E345-R348 IonicContact OE1-CZ 2.77Å; E345-R348 IonicContact OE1-NE 3.38Å; E345-R348 PolarHBondContact OE1-NE 3Å; E345-R348 IonicContact OE1-NH2 3.93Å; E345-R348 PolarHBondContact OE1-NH2 3.4Å; E345-R348 IonicContact OE2-CZ 2.88Å; E345-R348 IonicContact OE2-NE 3.27Å; E345-R348 PolarHBondContact OE2-NE 2.71Å; E345-R348 IonicContact OE2-NH2 3.9Å; E345-R348 PolarHBondContact OE2-NH2 3.19Å; E345-R348 VanDerWaalsContact OE2-NH2 3.08Å; E345-L349 HydrophobicContact CG-CD1 4.21Å; E345-L349 WeakPolarHBondContact O-CG 3.49Å; E345-L349 PolarHBondContact O-N 2.83Å |
| 346 | A | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -58.5 | -47 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A334 K337 R338 N342 I343 R348 L349 Y350 | A334-A346 WeakPolarHBondContact O-CB 3.11Å; K337-A346 HydrophobicContact CB-CB 4.06Å; R338-A346 HydrophobicContact CB-CB 3.97Å; N342-A346 PolarHBondContact O-N 3.25Å; I343-A346 PolarHBondContact O-N 3.37Å; A346-R348 VanDerWaalsContact C-N 3.32Å; A346-R348 PolarHBondContact O-N 3.5Å; A346-L349 PolarHBondContact O-N 3.48Å; A346-Y350 HydrophobicContact CB-CE2 4.18Å; A346-Y350 WeakPolarHBondContact O-CD2 3.49Å; A346-Y350 PolarHBondContact O-N 3.3Å |
| 347 | V | 94.4 | Very high | 92 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.055 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 177.1 | 171 | 0 | 0 | 0 | 0 | 111.4 | I343 E344 E345 Y350 R351 L367 V370 | I343-V347 WeakPolarHBondContact O-CG2 3.45Å; I343-V347 PolarHBondContact O-N 3.34Å; E344-V347 PolarHBondContact O-N 2.9Å; E345-V347 PolarHBondContact O-N 3.42Å; V347-Y350 PolarHBondContact O-N 3.29Å; V347-R351 WeakPolarHBondContact O-CG 3.4Å; V347-R351 PolarHBondContact O-N 3.46Å; V347-L367 HydrophobicContact CB-CD1 4.42Å; V347-L367 HydrophobicContact CG1-CD1 3.99Å; V347-L367 HydrophobicContact CG2-CD1 4.27Å; V347-V370 HydrophobicContact CG2-CB 4.38Å; V347-V370 HydrophobicContact CG2-CG1 3.51Å |
| 348 | R | 95.9 | Very high | 92.2 | Very high | 154 Ų | 154 | 66.5 Ų | 66.5 | 58% | 0.581 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -60.5 | -45.4 | 177 | -171.9 | -179.9 | 73.3 | 146 | 4.3 | 111.6 | E344 E345 A346 R351 K352 | E344-R348 PolarHBondContact O-N 3.06Å; E345-R348 VanDerWaalsContact CD-NH2 3.25Å; E345-R348 WeakPolarHBondContact O-CB 3.45Å; E345-R348 PolarHBondContact O-N 2.83Å; E345-R348 IonicContact OE1-CZ 2.77Å; E345-R348 IonicContact OE1-NE 3.38Å; E345-R348 PolarHBondContact OE1-NE 3Å; E345-R348 IonicContact OE1-NH2 3.93Å; E345-R348 PolarHBondContact OE1-NH2 3.4Å; E345-R348 IonicContact OE2-CZ 2.88Å; E345-R348 IonicContact OE2-NE 3.27Å; E345-R348 PolarHBondContact OE2-NE 2.71Å; E345-R348 IonicContact OE2-NH2 3.9Å; E345-R348 PolarHBondContact OE2-NH2 3.19Å; E345-R348 VanDerWaalsContact OE2-NH2 3.08Å; A346-R348 VanDerWaalsContact C-N 3.32Å; A346-R348 PolarHBondContact O-N 3.5Å; R348-R351 PolarHBondContact O-N 2.92Å; R348-K352 PolarHBondContact O-N 3.23Å |
| 349 | L | 96.6 | Very high | 92.5 | Very high | 12 Ų | 12 | 67.6 Ų | 67.6 | 6% | 0.063 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.6 | -41.8 | 179.9 | -70.9 | 169.2 | 0 | 0 | 0 | 112.5 | L330 L333 A334 K337 E345 A346 R351 K352 A353 | L330-L349 HydrophobicContact CD2-CD2 3.99Å; L333-L349 HydrophobicContact CB-CD1 4.28Å; L333-L349 HydrophobicContact CD2-CD1 3.95Å; L333-L349 HydrophobicContact CD2-CD2 4.23Å; L333-L349 HydrophobicContact CG-CD1 3.75Å; A334-L349 HydrophobicContact CB-CB 3.59Å; A334-L349 HydrophobicContact CB-CD1 4.41Å; K337-L349 HydrophobicContact CG-CD1 3.94Å; E345-L349 HydrophobicContact CG-CD1 4.21Å; E345-L349 WeakPolarHBondContact O-CG 3.49Å; E345-L349 PolarHBondContact O-N 2.83Å; A346-L349 PolarHBondContact O-N 3.48Å; L349-R351 PolarHBondContact O-N 2.81Å; L349-K352 PolarHBondContact O-N 2.86Å; L349-A353 PolarHBondContact O-N 3.11Å |
| 350 | Y | 97.2 | Very high | 93 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.4 | -43.5 | 173.9 | -69.9 | -55.9 | 0 | 0 | 0 | 112.1 | N331 A334 N335 A346 V347 K352 A353 L354 N366 L367 V370 | N331-Y350 WeakPolarHBondContact OD1-CE1 3.33Å; A334-Y350 HydrophobicContact CB-CD1 3.5Å; A334-Y350 HydrophobicContact CB-CD2 3.93Å; A334-Y350 HydrophobicContact CB-CE1 3.39Å; A334-Y350 HydrophobicContact CB-CE2 3.83Å; A334-Y350 HydrophobicContact CB-CG 3.76Å; N335-Y350 WeakPolarHBondContact CA-OH 3.48Å; N335-Y350 PolarHBondContact N-OH 2.67Å; N335-Y350 WeakPolarHBondContact OD1-CE1 3.3Å; N335-Y350 PolarHBondContact OD1-OH 3.17Å; A346-Y350 HydrophobicContact CB-CE2 4.18Å; A346-Y350 WeakPolarHBondContact O-CD2 3.49Å; A346-Y350 PolarHBondContact O-N 3.3Å; V347-Y350 PolarHBondContact O-N 3.29Å; Y350-K352 VanDerWaalsContact C-N 3.34Å; Y350-K352 PolarHBondContact O-N 3.05Å; Y350-A353 WeakPolarHBondContact O-CB 3.5Å; Y350-A353 PolarHBondContact O-N 3.02Å; Y350-L354 WeakPolarHBondContact O-CG 3.31Å; Y350-L354 PolarHBondContact O-N 2.92Å; Y350-N366 HydrophobicContact CD1-CB 4.15Å; Y350-N366 HydrophobicContact CE1-CB 3.46Å; Y350-N366 VanDerWaalsContact CE1-CB 3.46Å; Y350-N366 HydrophobicContact CE2-CB 4.32Å; Y350-L367 HydrophobicContact CD2-CB 4.36Å; Y350-L367 HydrophobicContact CD2-CD1 4.39Å; Y350-L367 HydrophobicContact CG-CB 4.25Å; Y350-V370 HydrophobicContact CE2-CG2 4.08Å |
| 351 | R | 96.7 | Very high | 93.4 | Very high | 107 Ų | 107 | 60.1 Ų | 60.1 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -44.5 | 176.8 | -76.3 | 177.3 | 176 | 160.2 | -2.9 | 111.5 | V347 R348 L349 A353 L354 E355 L367 | V347-R351 WeakPolarHBondContact O-CG 3.4Å; V347-R351 PolarHBondContact O-N 3.46Å; R348-R351 PolarHBondContact O-N 2.92Å; L349-R351 PolarHBondContact O-N 2.81Å; R351-A353 VanDerWaalsContact C-N 3.3Å; R351-A353 PolarHBondContact O-N 3.45Å; R351-L354 CarbonylContact O-C 3.49Å; R351-L354 PolarHBondContact O-N 3.26Å; R351-L354 VanDerWaalsContact O-N 3.13Å; R351-E355 WeakPolarHBondContact O-CG 3.27Å; R351-E355 PolarHBondContact O-N 2.78Å; R351-L367 HydrophobicContact CG-CD2 4.09Å |
| 352 | K | 96.1 | Very high | 94.1 | Very high | 90 Ų | 90 | 59.5 Ų | 59.5 | 39% | 0.391 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.1 | -37.6 | 175.3 | -165.9 | 177.7 | 174.8 | -175.5 | 0 | 112.2 | L330 R348 L349 Y350 L354 E355 V356 | L330-K352 HydrophobicContact CD1-CB 4.25Å; L330-K352 HydrophobicContact CD1-CD 4.25Å; L330-K352 HydrophobicContact CD1-CG 3.88Å; L330-K352 HydrophobicContact CD2-CB 4.48Å; L330-K352 HydrophobicContact CD2-CD 3.9Å; L330-K352 HydrophobicContact CD2-CG 4.3Å; R348-K352 PolarHBondContact O-N 3.23Å; L349-K352 PolarHBondContact O-N 2.86Å; Y350-K352 VanDerWaalsContact C-N 3.34Å; Y350-K352 PolarHBondContact O-N 3.05Å; K352-L354 VanDerWaalsContact C-N 3.32Å; K352-L354 PolarHBondContact O-N 3.43Å; K352-E355 PolarHBondContact O-N 2.89Å; K352-V356 WeakPolarHBondContact O-CG2 3.26Å; K352-V356 PolarHBondContact O-N 3.24Å |
| 353 | A | 96.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L330 N331 L349 Y350 R351 V356 F357 A363 | L330-A353 HydrophobicContact CB-CB 3.71Å; L330-A353 HydrophobicContact CD1-CB 4.43Å; N331-A353 HydrophobicContact CB-CB 4.41Å; L349-A353 PolarHBondContact O-N 3.11Å; Y350-A353 WeakPolarHBondContact O-CB 3.5Å; Y350-A353 PolarHBondContact O-N 3.02Å; R351-A353 VanDerWaalsContact C-N 3.3Å; R351-A353 PolarHBondContact O-N 3.45Å; A353-V356 PolarHBondContact O-N 2.8Å; A353-F357 PolarHBondContact O-N 3.17Å; A353-A363 HydrophobicContact CB-CB 4.48Å |
| 354 | L | 96.3 | Very high | 95 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 10% | 0.099 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -75.2 | -28.2 | 178.7 | -66.4 | 177.8 | 0 | 0 | 0 | 113.9 | Y350 R351 K352 V356 F357 P358 F360 A363 H364 L367 | Y350-L354 WeakPolarHBondContact O-CG 3.31Å; Y350-L354 PolarHBondContact O-N 2.92Å; R351-L354 CarbonylContact O-C 3.49Å; R351-L354 PolarHBondContact O-N 3.26Å; R351-L354 VanDerWaalsContact O-N 3.13Å; K352-L354 VanDerWaalsContact C-N 3.32Å; K352-L354 PolarHBondContact O-N 3.43Å; L354-V356 VanDerWaalsContact C-N 3.3Å; L354-F357 CarbonylContact O-C 3.56Å; L354-P358 VanDerWaalsContact O-CA 3.32Å; L354-P358 WeakPolarHBondContact O-CA 3.38Å; L354-P358 WeakPolarHBondContact O-CG 3.21Å; L354-F360 HydrophobicContact CD2-CB 4.02Å; L354-A363 HydrophobicContact CD2-CB 3.68Å; L354-A363 HydrophobicContact CG-CB 4.07Å; L354-H364 WeakPolarHBondContact CD2-CD2 3.41Å; L354-L367 HydrophobicContact CD1-CD2 3.84Å |
| 355 | E | 96 | Very high | 95.4 | Very high | 152 Ų | 152 | 48.2 Ų | 48.2 | 71% | 0.71 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64.4 | -38.5 | 170.1 | -75.7 | 170.1 | -168 | 0 | 0 | 111.3 | R351 K352 | R351-E355 WeakPolarHBondContact O-CG 3.27Å; R351-E355 PolarHBondContact O-N 2.78Å; K352-E355 PolarHBondContact O-N 2.89Å |
| 356 | V | 94.5 | Very high | 95.6 | Very high | 54 Ų | 54 | 47 Ų | 47 | 33% | 0.327 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -77.8 | -44.9 | 179.1 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | T325 A327 L330 K352 A353 L354 | T325-V356 HydrophobicContact CG2-CG2 4.27Å; T325-V356 WeakPolarHBondContact O-CG1 3.48Å; A327-V356 HydrophobicContact CB-CG1 4.19Å; L330-V356 HydrophobicContact CD1-CG2 4.3Å; K352-V356 WeakPolarHBondContact O-CG2 3.26Å; K352-V356 PolarHBondContact O-N 3.24Å; A353-V356 PolarHBondContact O-N 2.8Å; L354-V356 VanDerWaalsContact C-N 3.3Å |
| 357 | F | 95.2 | Very high | 95.8 | Very high | 99 Ų | 99 | 47 Ų | 47 | 43% | 0.434 | 23% | 0.227 | S | C | . | . | trans | -133.3 | 90.5 | -179.5 | -175.6 | -135 | 0 | 0 | 0 | 110.7 | A327 A353 L354 E359 F360 | A327-F357 HydrophobicContact CB-CB 3.89Å; A353-F357 PolarHBondContact O-N 3.17Å; L354-F357 CarbonylContact O-C 3.56Å; F357-E359 VanDerWaalsContact C-N 3.3Å; F357-E359 HydrophobicContact CE2-CB 3.92Å; F357-E359 HydrophobicContact CZ-CB 3.97Å; F357-E359 PolarHBondContact O-N 3.04Å; F357-F360 HydrophobicContact CD1-CB 3.46Å; F357-F360 VanDerWaalsContact CD1-CB 3.46Å; F357-F360 HydrophobicContact CD1-CD1 4.07Å; F357-F360 HydrophobicContact CD1-CD2 4.43Å; F357-F360 AromaticContact CD1-CG 3.77Å; F357-F360 HydrophobicContact CD1-CG 3.77Å; F357-F360 HydrophobicContact CE1-CB 3.94Å; F357-F360 HydrophobicContact CE1-CD2 4.49Å; F357-F360 HydrophobicContact CE1-CG 4.23Å; F357-F360 HydrophobicContact CG-CB 4.25Å; F357-F360 VanDerWaalsContact O-CB 3.3Å; F357-F360 WeakPolarHBondContact O-CB 3.45Å; F357-F360 PolarHBondContact O-N 3.04Å | ||
| 358 | P | 94.9 | Very high | 95.8 | Very high | 75 Ų | 75 | 46.5 Ų | 46.5 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -32 | -177.8 | -26.8 | 35.4 | 0 | 0 | 0 | 114.3 | L354 F360 H364 | L354-P358 VanDerWaalsContact O-CA 3.32Å; L354-P358 WeakPolarHBondContact O-CA 3.38Å; L354-P358 WeakPolarHBondContact O-CG 3.21Å; P358-F360 PolarHBondContact O-N 3.4Å; P358-F360 VanDerWaalsContact O-N 3.08Å; P358-H364 PolarHBondContact O-NE2 3.08Å |
| 359 | E | 94.9 | Very high | 95.7 | Very high | 85 Ų | 85 | 40.4 Ų | 40.4 | 40% | 0.397 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 31 | 179.4 | -61 | -70.6 | 122.6 | 0 | 0 | 112.4 | F357 A361 R389 I390 | F357-E359 VanDerWaalsContact C-N 3.3Å; F357-E359 HydrophobicContact CE2-CB 3.92Å; F357-E359 HydrophobicContact CZ-CB 3.97Å; F357-E359 PolarHBondContact O-N 3.04Å; E359-A361 PolarHBondContact O-N 3.35Å; E359-R389 IonicContact OE1-CZ 2.78Å; E359-R389 IonicContact OE1-NH1 3.12Å; E359-R389 PolarHBondContact OE1-NH1 3.34Å; E359-R389 IonicContact OE1-NH2 3.49Å; E359-R389 PolarHBondContact OE1-NH2 3.29Å; E359-R389 IonicContact OE2-CZ 3.69Å; E359-R389 IonicContact OE2-NH1 2.71Å; E359-R389 PolarHBondContact OE2-NH1 2.85Å; E359-R389 IonicContact OE2-NH2 3.69Å; E359-I390 HydrophobicContact CB-CG2 4.33Å; E359-I390 WeakPolarHBondContact O-CG2 3.37Å |
| 360 | F | 94.9 | Very high | 95.4 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 11% | 0.11 | 20% | 0.202 | C | C | . | . | trans | -92.7 | 84.6 | 178.8 | -157.8 | 172.1 | 0 | 0 | 0 | 112 | A327 D328 N331 L354 F357 P358 A362 A363 H364 | A327-F360 HydrophobicContact CB-CD1 4.28Å; A327-F360 HydrophobicContact CB-CE1 4.27Å; D328-F360 WeakPolarHBondContact OD1-CZ 3.33Å; N331-F360 HydrophobicContact CB-CD1 4.47Å; N331-F360 HydrophobicContact CB-CE1 3.66Å; N331-F360 HydrophobicContact CB-CZ 4.05Å; L354-F360 HydrophobicContact CD2-CB 4.02Å; F357-F360 HydrophobicContact CD1-CB 3.46Å; F357-F360 VanDerWaalsContact CD1-CB 3.46Å; F357-F360 HydrophobicContact CD1-CD1 4.07Å; F357-F360 HydrophobicContact CD1-CD2 4.43Å; F357-F360 AromaticContact CD1-CG 3.77Å; F357-F360 HydrophobicContact CD1-CG 3.77Å; F357-F360 HydrophobicContact CE1-CB 3.94Å; F357-F360 HydrophobicContact CE1-CD2 4.49Å; F357-F360 HydrophobicContact CE1-CG 4.23Å; F357-F360 HydrophobicContact CG-CB 4.25Å; F357-F360 VanDerWaalsContact O-CB 3.3Å; F357-F360 WeakPolarHBondContact O-CB 3.45Å; F357-F360 PolarHBondContact O-N 3.04Å; P358-F360 PolarHBondContact O-N 3.4Å; P358-F360 VanDerWaalsContact O-N 3.08Å; F360-A362 VanDerWaalsContact C-N 3.29Å; F360-A362 HydrophobicContact CD2-CB 4.16Å; F360-A362 HydrophobicContact CE2-CB 3.89Å; F360-A362 PolarHBondContact O-N 3.05Å; F360-A363 HydrophobicContact CB-CB 4.02Å; F360-A363 HydrophobicContact CD1-CB 3.76Å; F360-A363 HydrophobicContact CD2-CB 4.43Å; F360-A363 HydrophobicContact CE1-CB 4.38Å; F360-A363 HydrophobicContact CG-CB 3.79Å; F360-A363 PolarHBondContact O-N 3.32Å; F360-A363 VanDerWaalsContact O-N 3.1Å; F360-H364 PolarHBondContact O-N 3.41Å; F360-H364 VanDerWaalsContact O-N 3.1Å | ||
| 361 | A | 95 | Very high | 95.1 | Very high | 14 Ų | 14 | 39.8 Ų | 39.8 | 12% | 0.116 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -53.2 | -41.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114 | E359 H364 S365 A387 I390 F394 | E359-A361 PolarHBondContact O-N 3.35Å; A361-H364 PolarHBondContact O-N 3.4Å; A361-S365 PolarHBondContact O-N 3.16Å; A361-A387 WeakPolarHBondContact O-CB 3.32Å; A361-I390 HydrophobicContact CB-CB 4.07Å; A361-I390 HydrophobicContact CB-CG2 3.87Å; A361-F394 HydrophobicContact CB-CD1 4.23Å; A361-F394 HydrophobicContact CB-CE1 4.43Å |
| 362 | A | 94 | Very high | 94.7 | Very high | 34 Ų | 34 | 36.2 Ų | 36.2 | 28% | 0.281 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.9 | -41.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F360 S365 N366 | F360-A362 VanDerWaalsContact C-N 3.29Å; F360-A362 HydrophobicContact CD2-CB 4.16Å; F360-A362 HydrophobicContact CE2-CB 3.89Å; F360-A362 PolarHBondContact O-N 3.05Å; A362-S365 PolarHBondContact O-N 3.15Å; A362-N366 WeakPolarHBondContact O-CB 3.33Å; A362-N366 PolarHBondContact O-N 2.88Å; A362-N366 PolarHBondContact O-ND2 3.42Å |
| 363 | A | 95.5 | Very high | 94.1 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -39.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N331 A353 L354 F360 N366 L367 | N331-A363 HydrophobicContact CB-CB 4.45Å; N331-A363 WeakPolarHBondContact OD1-CA 3.39Å; A353-A363 HydrophobicContact CB-CB 4.48Å; L354-A363 HydrophobicContact CD2-CB 3.68Å; L354-A363 HydrophobicContact CG-CB 4.07Å; F360-A363 HydrophobicContact CB-CB 4.02Å; F360-A363 HydrophobicContact CD1-CB 3.76Å; F360-A363 HydrophobicContact CD2-CB 4.43Å; F360-A363 HydrophobicContact CE1-CB 4.38Å; F360-A363 HydrophobicContact CG-CB 3.79Å; F360-A363 PolarHBondContact O-N 3.32Å; F360-A363 VanDerWaalsContact O-N 3.1Å; A363-N366 PolarHBondContact O-N 3.33Å; A363-L367 VanDerWaalsContact O-CB 3.25Å; A363-L367 WeakPolarHBondContact O-CB 3.37Å; A363-L367 PolarHBondContact O-N 3.37Å |
| 364 | H | 97.7 | Very high | 93.3 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -57.9 | -49.9 | 171.2 | -89.8 | -82.2 | 0 | 0 | 0 | 111.9 | L354 P358 F360 A361 L367 A368 H383 E386 A387 | L354-H364 WeakPolarHBondContact CD2-CD2 3.41Å; P358-H364 PolarHBondContact O-NE2 3.08Å; F360-H364 PolarHBondContact O-N 3.41Å; F360-H364 VanDerWaalsContact O-N 3.1Å; A361-H364 PolarHBondContact O-N 3.4Å; H364-L367 PolarHBondContact O-N 2.82Å; H364-A368 VanDerWaalsContact O-CB 3.31Å; H364-A368 WeakPolarHBondContact O-CB 3.44Å; H364-A368 PolarHBondContact O-N 3.1Å; H364-H383 AromaticContact CE1-ND1 3.58Å; H364-H383 AromaticContact ND1-CG 3.88Å; H364-H383 AromaticContact ND1-ND1 3.05Å; H364-H383 PolarHBondContact ND1-ND1 3.05Å; H364-E386 WeakPolarHBondContact ND1-CB 3.4Å; H364-A387 HydrophobicContact CB-CB 3.84Å |
| 365 | S | 96.3 | Very high | 92.5 | Very high | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.042 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -43.1 | 179.6 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | A361 A362 A368 S369 | A361-S365 PolarHBondContact O-N 3.16Å; A362-S365 PolarHBondContact O-N 3.15Å; S365-A368 WeakPolarHBondContact O-CB 3.24Å; S365-A368 PolarHBondContact O-N 2.68Å; S365-S369 PolarHBondContact O-N 2.89Å |
| 366 | N | 95.1 | Very high | 92.1 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66 | -42.9 | 178 | -76.8 | -37.1 | 0 | 0 | 0 | 112.6 | N331 N335 R338 Y350 A362 A363 A368 S369 V370 | N331-N366 PolarHBondContact OD1-ND2 2.86Å; N335-N366 PolarHBondContact OD1-ND2 2.8Å; R338-N366 PolarHBondContact NH1-OD1 3.45Å; Y350-N366 HydrophobicContact CD1-CB 4.15Å; Y350-N366 HydrophobicContact CE1-CB 3.46Å; Y350-N366 VanDerWaalsContact CE1-CB 3.46Å; Y350-N366 HydrophobicContact CE2-CB 4.32Å; A362-N366 WeakPolarHBondContact O-CB 3.33Å; A362-N366 PolarHBondContact O-N 2.88Å; A362-N366 PolarHBondContact O-ND2 3.42Å; A363-N366 PolarHBondContact O-N 3.33Å; N366-A368 VanDerWaalsContact C-N 3.35Å; N366-S369 PolarHBondContact O-N 3.36Å; N366-V370 PolarHBondContact O-N 2.85Å |
| 367 | L | 96.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.2 | 177.8 | 55.9 | 0 | 0 | 0 | 111 | V347 Y350 R351 L354 A363 H364 S369 V370 L371 H383 | V347-L367 HydrophobicContact CB-CD1 4.42Å; V347-L367 HydrophobicContact CG1-CD1 3.99Å; V347-L367 HydrophobicContact CG2-CD1 4.27Å; Y350-L367 HydrophobicContact CD2-CB 4.36Å; Y350-L367 HydrophobicContact CD2-CD1 4.39Å; Y350-L367 HydrophobicContact CG-CB 4.25Å; R351-L367 HydrophobicContact CG-CD2 4.09Å; L354-L367 HydrophobicContact CD1-CD2 3.84Å; A363-L367 VanDerWaalsContact O-CB 3.25Å; A363-L367 WeakPolarHBondContact O-CB 3.37Å; A363-L367 PolarHBondContact O-N 3.37Å; H364-L367 PolarHBondContact O-N 2.82Å; L367-S369 VanDerWaalsContact C-N 3.3Å; L367-S369 PolarHBondContact O-N 3.21Å; L367-V370 PolarHBondContact O-N 3.19Å; L367-L371 HydrophobicContact CD1-CD1 4.06Å; L367-L371 HydrophobicContact CD1-CG 4.08Å; L367-L371 HydrophobicContact CG-CD1 3.85Å; L367-L371 HydrophobicContact CG-CG 4.35Å; L367-L371 VanDerWaalsContact O-CG 3.3Å; L367-L371 WeakPolarHBondContact O-CG 3.38Å; L367-L371 PolarHBondContact O-N 3.45Å; L367-H383 VanDerWaalsContact CD2-CE1 3.47Å; L367-H383 WeakPolarHBondContact CD2-CE1 3.34Å |
| 368 | A | 96.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58 | -43.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H364 S365 N366 V370 L371 Q372 A380 H383 Y384 | H364-A368 VanDerWaalsContact O-CB 3.31Å; H364-A368 WeakPolarHBondContact O-CB 3.44Å; H364-A368 PolarHBondContact O-N 3.1Å; S365-A368 WeakPolarHBondContact O-CB 3.24Å; S365-A368 PolarHBondContact O-N 2.68Å; N366-A368 VanDerWaalsContact C-N 3.35Å; A368-V370 VanDerWaalsContact C-N 3.34Å; A368-V370 PolarHBondContact O-N 2.99Å; A368-L371 PolarHBondContact O-N 3.3Å; A368-Q372 WeakPolarHBondContact O-CB 3.44Å; A368-Q372 PolarHBondContact O-N 3.07Å; A368-A380 HydrophobicContact CB-CB 4.44Å; A368-A380 WeakPolarHBondContact CB-O 3.23Å; A368-A380 VanDerWaalsContact O-CB 3.3Å; A368-A380 WeakPolarHBondContact O-CB 2.97Å; A368-H383 HydrophobicContact CB-CB 3.72Å; A368-Y384 HydrophobicContact CB-CD1 3.59Å; A368-Y384 HydrophobicContact CB-CD2 3.71Å; A368-Y384 HydrophobicContact CB-CE1 3.46Å; A368-Y384 VanDerWaalsContact CB-CE1 3.46Å; A368-Y384 HydrophobicContact CB-CE2 3.59Å; A368-Y384 HydrophobicContact CB-CG 3.7Å; A368-Y384 VanDerWaalsContact CB-CZ 3.45Å |
| 369 | S | 92.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 40.2 Ų | 40.2 | 18% | 0.175 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.8 | -177.5 | 0 | 0 | 0 | 0 | 112.5 | S365 N366 L367 Q372 Q373 Y384 | S365-S369 PolarHBondContact O-N 2.89Å; N366-S369 PolarHBondContact O-N 3.36Å; L367-S369 VanDerWaalsContact C-N 3.3Å; L367-S369 PolarHBondContact O-N 3.21Å; S369-Q372 WeakPolarHBondContact O-CB 3.4Å; S369-Q372 PolarHBondContact O-N 3.03Å; S369-Q373 WeakPolarHBondContact O-CG 3.45Å; S369-Q373 PolarHBondContact O-N 3.08Å; S369-Q373 VanDerWaalsContact O-N 3.12Å; S369-Y384 WeakPolarHBondContact CA-OH 3.17Å; S369-Y384 PolarHBondContact N-OH 2.95Å |
| 370 | V | 90.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -69 | -41.8 | 176.3 | 177.5 | 0 | 0 | 0 | 0 | 111.7 | R338 I343 V347 Y350 N366 L367 A368 Q372 Q373 Q374 | R338-V370 HydrophobicContact CG-CG2 3.95Å; I343-V370 HydrophobicContact CG2-CG1 3.49Å; I343-V370 VanDerWaalsContact CG2-CG1 3.49Å; V347-V370 HydrophobicContact CG2-CB 4.38Å; V347-V370 HydrophobicContact CG2-CG1 3.51Å; Y350-V370 HydrophobicContact CE2-CG2 4.08Å; N366-V370 PolarHBondContact O-N 2.85Å; L367-V370 PolarHBondContact O-N 3.19Å; A368-V370 VanDerWaalsContact C-N 3.34Å; A368-V370 PolarHBondContact O-N 2.99Å; V370-Q372 VanDerWaalsContact C-N 3.29Å; V370-Q372 PolarHBondContact O-N 3.43Å; V370-Q373 WeakPolarHBondContact O-CB 3.17Å; V370-Q373 PolarHBondContact O-N 2.86Å; V370-Q374 WeakPolarHBondContact O-CG 3.49Å; V370-Q374 PolarHBondContact O-N 3.34Å |
| 371 | L | 91.3 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63 | -37.6 | 176.5 | -71 | 168.4 | 0 | 0 | 0 | 111.8 | L367 A368 Q374 G375 K376 E379 A380 | L367-L371 HydrophobicContact CD1-CD1 4.06Å; L367-L371 HydrophobicContact CD1-CG 4.08Å; L367-L371 HydrophobicContact CG-CD1 3.85Å; L367-L371 HydrophobicContact CG-CG 4.35Å; L367-L371 VanDerWaalsContact O-CG 3.3Å; L367-L371 WeakPolarHBondContact O-CG 3.38Å; L367-L371 PolarHBondContact O-N 3.45Å; A368-L371 PolarHBondContact O-N 3.3Å; L371-Q374 CarbonylContact O-C 3.13Å; L371-Q374 PolarHBondContact O-N 2.92Å; L371-G375 PolarHBondContact O-N 2.85Å; L371-K376 HydrophobicContact CB-CB 4.32Å; L371-K376 HydrophobicContact CD2-CB 4.34Å; L371-K376 HydrophobicContact CD2-CD 3.77Å; L371-K376 WeakPolarHBondContact O-CB 3.43Å; L371-K376 PolarHBondContact O-N 2.78Å; L371-E379 HydrophobicContact CD1-CB 4Å; L371-A380 HydrophobicContact CB-CB 4.06Å |
| 372 | Q | 88.8 | Confident | 91.9 | Very high | 31 Ų | 31 | 39.9 Ų | 39.9 | 15% | 0.145 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.4 | -47.7 | 173.3 | -175 | -172.3 | 5.4 | 0 | 0 | 110.7 | A368 S369 V370 Q374 G375 L377 A380 Y384 T404 | A368-Q372 WeakPolarHBondContact O-CB 3.44Å; A368-Q372 PolarHBondContact O-N 3.07Å; S369-Q372 WeakPolarHBondContact O-CB 3.4Å; S369-Q372 PolarHBondContact O-N 3.03Å; V370-Q372 VanDerWaalsContact C-N 3.29Å; V370-Q372 PolarHBondContact O-N 3.43Å; Q372-Q374 PolarHBondContact O-N 2.94Å; Q372-G375 WeakPolarHBondContact O-CA 3.34Å; Q372-G375 PolarHBondContact O-N 3.13Å; Q372-L377 HydrophobicContact CG-CD2 3.99Å; Q372-A380 HydrophobicContact CB-CB 4.04Å; Q372-Y384 PolarHBondContact OE1-OH 3.41Å; Q372-T404 HydrophobicContact CG-CG2 4.46Å; Q372-T404 PolarHBondContact NE2-OG1 3.32Å; Q372-T404 PolarHBondContact OE1-OG1 2.95Å |
| 373 | Q | 82.5 | Confident | 92.1 | Very high | 136 Ų | 136 | 39.4 Ų | 39.4 | 64% | 0.636 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -60.9 | -31.4 | 176.2 | -70 | 173 | 3.1 | 0 | 0 | 112.8 | S369 V370 G375 | S369-Q373 WeakPolarHBondContact O-CG 3.45Å; S369-Q373 PolarHBondContact O-N 3.08Å; S369-Q373 VanDerWaalsContact O-N 3.12Å; V370-Q373 WeakPolarHBondContact O-CB 3.17Å; V370-Q373 PolarHBondContact O-N 2.86Å; Q373-G375 PolarHBondContact O-N 2.87Å |
| 374 | Q | 81.3 | Confident | 92.2 | Very high | 61 Ų | 61 | 39.4 Ų | 39.4 | 29% | 0.285 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 0.4 | 172.6 | -68.2 | -175.2 | -15.4 | 0 | 0 | 113.8 | I343 V370 L371 Q372 K376 | I343-Q374 HydrophobicContact CG2-CG 4.45Å; V370-Q374 WeakPolarHBondContact O-CG 3.49Å; V370-Q374 PolarHBondContact O-N 3.34Å; L371-Q374 CarbonylContact O-C 3.13Å; L371-Q374 PolarHBondContact O-N 2.92Å; Q372-Q374 PolarHBondContact O-N 2.94Å; Q374-K376 VanDerWaalsContact C-N 3.27Å; Q374-K376 HydrophobicContact CB-CD 4.44Å; Q374-K376 HydrophobicContact CB-CG 4.43Å; Q374-K376 PolarHBondContact O-N 2.83Å |
| 375 | G | 78.7 | Confident | 92.2 | Very high | 49 Ų | 49 | 44.6 Ų | 44.6 | 51% | 0.505 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 8.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | L371 Q372 Q373 L377 | L371-G375 PolarHBondContact O-N 2.85Å; Q372-G375 WeakPolarHBondContact O-CA 3.34Å; Q372-G375 PolarHBondContact O-N 3.13Å; Q373-G375 PolarHBondContact O-N 2.87Å; G375-L377 PolarHBondContact O-N 2.82Å |
| 376 | K | 87.1 | Confident | 92.2 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 37% | 0.37 | 24% | 0.237 | S | C | . | . | trans | -85.5 | 60.7 | 178.1 | -64.6 | 174.2 | 178.7 | 171.6 | 0 | 110.7 | L371 Q374 Q378 E379 A380 | L371-K376 HydrophobicContact CB-CB 4.32Å; L371-K376 HydrophobicContact CD2-CB 4.34Å; L371-K376 HydrophobicContact CD2-CD 3.77Å; L371-K376 WeakPolarHBondContact O-CB 3.43Å; L371-K376 PolarHBondContact O-N 2.78Å; Q374-K376 VanDerWaalsContact C-N 3.27Å; Q374-K376 HydrophobicContact CB-CD 4.44Å; Q374-K376 HydrophobicContact CB-CG 4.43Å; Q374-K376 PolarHBondContact O-N 2.83Å; K376-Q378 VanDerWaalsContact C-N 3.32Å; K376-Q378 PolarHBondContact O-N 3.46Å; K376-E379 HydrophobicContact CB-CB 4.34Å; K376-E379 PolarHBondContact O-N 3.37Å; K376-A380 PolarHBondContact O-N 2.56Å | ||
| 377 | L | 90 | Very high | 92.3 | Very high | 31 Ų | 31 | 45.7 Ų | 45.7 | 16% | 0.162 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -37.6 | -168.1 | -53.5 | 179.5 | 0 | 0 | 0 | 113.2 | Q372 G375 A380 L381 T404 E407 M408 | Q372-L377 HydrophobicContact CG-CD2 3.99Å; G375-L377 PolarHBondContact O-N 2.82Å; L377-A380 PolarHBondContact O-N 2.81Å; L377-L381 WeakPolarHBondContact O-CG 3.22Å; L377-L381 PolarHBondContact O-N 3.09Å; L377-T404 HydrophobicContact CB-CG2 4.07Å; L377-T404 HydrophobicContact CD2-CG2 4.16Å; L377-E407 HydrophobicContact CD1-CB 4.38Å; L377-E407 HydrophobicContact CD1-CG 3.91Å; L377-E407 HydrophobicContact CD2-CG 4.45Å; L377-E407 WeakPolarHBondContact CD2-OE2 3.5Å; L377-M408 HydrophobicContact CB-CG 3.84Å; L377-M408 HydrophobicContact CB-SD 3.65Å; L377-M408 HydrophobicContact CD1-CG 3.56Å; L377-M408 HydrophobicContact CG-CG 4.32Å |
| 378 | Q | 93 | Very high | 92.3 | Very high | 134 Ų | 134 | 46.6 Ų | 46.6 | 63% | 0.626 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -67.3 | -42.5 | 178.4 | -67.2 | -67.5 | -8.7 | 0 | 0 | 112.7 | K376 A380 L381 M382 | K376-Q378 VanDerWaalsContact C-N 3.32Å; K376-Q378 PolarHBondContact O-N 3.46Å; Q378-A380 VanDerWaalsContact C-N 3.34Å; Q378-L381 PolarHBondContact O-N 3.25Å; Q378-M382 PolarHBondContact O-N 3.25Å; Q378-M382 VanDerWaalsContact O-N 3.14Å |
| 379 | E | 94.3 | Very high | 92.4 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 36% | 0.36 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.9 | -40.5 | 175.5 | -65.9 | 178.8 | -119.5 | 0 | 0 | 110.5 | L371 K376 L381 M382 H383 | L371-E379 HydrophobicContact CD1-CB 4Å; K376-E379 HydrophobicContact CB-CB 4.34Å; K376-E379 PolarHBondContact O-N 3.37Å; E379-L381 PolarHBondContact O-N 3.05Å; E379-M382 WeakPolarHBondContact O-CB 3.44Å; E379-M382 PolarHBondContact O-N 3.41Å; E379-H383 PolarHBondContact O-CD2 3.45Å; E379-H383 VanDerWaalsContact O-CD2 3.3Å; E379-H383 PolarHBondContact O-N 3.37Å; E379-H383 VanDerWaalsContact O-N 3.13Å |
| 380 | A | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.5 | -46.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A368 L371 Q372 K376 L377 Q378 M382 H383 Y384 T404 | A368-A380 HydrophobicContact CB-CB 4.44Å; A368-A380 WeakPolarHBondContact CB-O 3.23Å; A368-A380 VanDerWaalsContact O-CB 3.3Å; A368-A380 WeakPolarHBondContact O-CB 2.97Å; L371-A380 HydrophobicContact CB-CB 4.06Å; Q372-A380 HydrophobicContact CB-CB 4.04Å; K376-A380 PolarHBondContact O-N 2.56Å; L377-A380 PolarHBondContact O-N 2.81Å; Q378-A380 VanDerWaalsContact C-N 3.34Å; A380-M382 VanDerWaalsContact C-N 3.31Å; A380-M382 PolarHBondContact O-N 3.32Å; A380-H383 PolarHBondContact O-N 2.84Å; A380-Y384 HydrophobicContact CB-CE2 4.32Å; A380-Y384 WeakPolarHBondContact O-CD2 3.27Å; A380-Y384 PolarHBondContact O-N 3.13Å; A380-T404 HydrophobicContact CB-CG2 4.35Å |
| 381 | L | 96.2 | Very high | 92.8 | Very high | 10 Ų | 10 | 55.1 Ų | 55.1 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.6 | -40.9 | 175.9 | -75.6 | -178.7 | 0 | 0 | 0 | 112.8 | L377 Q378 E379 Y384 K385 M401 T404 L405 M408 | L377-L381 WeakPolarHBondContact O-CG 3.22Å; L377-L381 PolarHBondContact O-N 3.09Å; Q378-L381 PolarHBondContact O-N 3.25Å; E379-L381 PolarHBondContact O-N 3.05Å; L381-Y384 PolarHBondContact O-N 3.22Å; L381-K385 WeakPolarHBondContact O-CB 3.45Å; L381-K385 VanDerWaalsContact O-CG 3.31Å; L381-K385 WeakPolarHBondContact O-CG 3.04Å; L381-K385 PolarHBondContact O-N 2.83Å; L381-M401 HydrophobicContact CD2-CG 3.66Å; L381-T404 HydrophobicContact CD2-CG2 3.87Å; L381-T404 HydrophobicContact CG-CG2 3.9Å; L381-L405 HydrophobicContact CD1-CD2 3.78Å; L381-L405 HydrophobicContact CD2-CD2 3.69Å; L381-L405 HydrophobicContact CD2-CG 3.8Å; L381-L405 HydrophobicContact CG-CD2 4.41Å; L381-M408 HydrophobicContact CD1-CE 3.75Å; L381-M408 HydrophobicContact CD1-SD 3.41Å; L381-M408 WeakPolarHBondContact CD1-SD 3.31Å; L381-M408 HydrophobicContact CG-SD 4.12Å |
| 382 | M | 96.7 | Very high | 93.1 | Very high | 107 Ų | 107 | 58.5 Ų | 58.5 | 53% | 0.527 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 177.1 | -175 | -172 | 72.9 | 0 | 0 | 110.8 | Q378 E379 A380 K385 E386 | Q378-M382 PolarHBondContact O-N 3.25Å; Q378-M382 VanDerWaalsContact O-N 3.14Å; E379-M382 WeakPolarHBondContact O-CB 3.44Å; E379-M382 PolarHBondContact O-N 3.41Å; A380-M382 VanDerWaalsContact C-N 3.31Å; A380-M382 PolarHBondContact O-N 3.32Å; M382-K385 PolarHBondContact O-N 3.47Å; M382-E386 PolarHBondContact O-N 2.97Å; M382-E386 VanDerWaalsContact O-N 3.12Å |
| 383 | H | 97.7 | Very high | 93.4 | Very high | 24 Ų | 24 | 61.9 Ų | 61.9 | 11% | 0.111 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.6 | -37 | 179.5 | -77 | -77 | 0 | 0 | 0 | 113 | H364 L367 A368 E379 A380 K385 E386 A387 | H364-H383 AromaticContact CE1-ND1 3.58Å; H364-H383 AromaticContact ND1-CG 3.88Å; H364-H383 AromaticContact ND1-ND1 3.05Å; H364-H383 PolarHBondContact ND1-ND1 3.05Å; L367-H383 VanDerWaalsContact CD2-CE1 3.47Å; L367-H383 WeakPolarHBondContact CD2-CE1 3.34Å; A368-H383 HydrophobicContact CB-CB 3.72Å; E379-H383 PolarHBondContact O-CD2 3.45Å; E379-H383 VanDerWaalsContact O-CD2 3.3Å; E379-H383 PolarHBondContact O-N 3.37Å; E379-H383 VanDerWaalsContact O-N 3.13Å; A380-H383 PolarHBondContact O-N 2.84Å; H383-K385 VanDerWaalsContact C-N 3.35Å; H383-K385 PolarHBondContact O-N 3.43Å; H383-E386 PolarHBondContact O-N 3.01Å; H383-A387 PolarHBondContact O-N 2.73Å |
| 384 | Y | 97.8 | Very high | 94 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63 | -40 | 172.7 | -73.9 | -52.9 | 0 | 0 | 0 | 112.5 | A368 S369 Q372 A380 L381 E386 A387 I388 N400 M401 T404 | A368-Y384 HydrophobicContact CB-CD1 3.59Å; A368-Y384 HydrophobicContact CB-CD2 3.71Å; A368-Y384 HydrophobicContact CB-CE1 3.46Å; A368-Y384 VanDerWaalsContact CB-CE1 3.46Å; A368-Y384 HydrophobicContact CB-CE2 3.59Å; A368-Y384 HydrophobicContact CB-CG 3.7Å; A368-Y384 VanDerWaalsContact CB-CZ 3.45Å; S369-Y384 WeakPolarHBondContact CA-OH 3.17Å; S369-Y384 PolarHBondContact N-OH 2.95Å; Q372-Y384 PolarHBondContact OE1-OH 3.41Å; A380-Y384 HydrophobicContact CB-CE2 4.32Å; A380-Y384 WeakPolarHBondContact O-CD2 3.27Å; A380-Y384 PolarHBondContact O-N 3.13Å; L381-Y384 PolarHBondContact O-N 3.22Å; Y384-E386 VanDerWaalsContact C-N 3.34Å; Y384-E386 PolarHBondContact O-N 3.31Å; Y384-A387 PolarHBondContact O-N 2.71Å; Y384-I388 WeakPolarHBondContact O-CG1 3.24Å; Y384-I388 PolarHBondContact O-N 3.1Å; Y384-N400 HydrophobicContact CD1-CB 4.44Å; Y384-N400 HydrophobicContact CE1-CB 3.57Å; Y384-N400 HydrophobicContact CE2-CB 4.34Å; Y384-N400 WeakPolarHBondContact OH-CB 3.39Å; Y384-M401 HydrophobicContact CD2-CB 4.05Å; Y384-M401 HydrophobicContact CD2-CG 4.35Å; Y384-M401 HydrophobicContact CG-CB 3.96Å; Y384-M401 HydrophobicContact CG-CG 4.4Å; Y384-T404 WeakPolarHBondContact CE2-OG1 3.3Å |
| 385 | K | 97.2 | Very high | 94.6 | Very high | 127 Ų | 127 | 55.2 Ų | 55.2 | 55% | 0.552 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.2 | -42.2 | 175.8 | -75.8 | 175 | -179.2 | 179.1 | 0 | 111.8 | L381 M382 H383 I388 R389 M401 | L381-K385 WeakPolarHBondContact O-CB 3.45Å; L381-K385 VanDerWaalsContact O-CG 3.31Å; L381-K385 WeakPolarHBondContact O-CG 3.04Å; L381-K385 PolarHBondContact O-N 2.83Å; M382-K385 PolarHBondContact O-N 3.47Å; H383-K385 VanDerWaalsContact C-N 3.35Å; H383-K385 PolarHBondContact O-N 3.43Å; K385-I388 PolarHBondContact O-N 3.15Å; K385-R389 WeakPolarHBondContact O-CB 3.46Å; K385-R389 PolarHBondContact O-N 2.97Å; K385-M401 HydrophobicContact CG-SD 4.02Å |
| 386 | E | 97.5 | Very high | 95.3 | Very high | 63 Ų | 63 | 56.6 Ų | 56.6 | 29% | 0.294 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.6 | -44.8 | 174.3 | -72.7 | -52.9 | 121 | 0 | 0 | 112 | H364 M382 H383 Y384 I388 R389 I390 | H364-E386 WeakPolarHBondContact ND1-CB 3.4Å; M382-E386 PolarHBondContact O-N 2.97Å; M382-E386 VanDerWaalsContact O-N 3.12Å; H383-E386 PolarHBondContact O-N 3.01Å; Y384-E386 VanDerWaalsContact C-N 3.34Å; Y384-E386 PolarHBondContact O-N 3.31Å; E386-I388 PolarHBondContact O-N 3.34Å; E386-R389 WeakPolarHBondContact O-CB 3.27Å; E386-R389 PolarHBondContact O-N 2.94Å; E386-R389 VanDerWaalsContact O-N 3.12Å; E386-R389 IonicContact OE1-NE 2.74Å; E386-R389 IonicContact OE2-CZ 2.64Å; E386-R389 IonicContact OE2-NE 2.92Å; E386-R389 PolarHBondContact OE2-NE 3.44Å; E386-R389 IonicContact OE2-NH2 3.92Å; E386-R389 PolarHBondContact OE2-NH2 3.19Å; E386-I390 WeakPolarHBondContact O-CD1 3.41Å; E386-I390 WeakPolarHBondContact O-CG1 3.5Å; E386-I390 PolarHBondContact O-N 2.64Å |
| 387 | A | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -55.8 | -41.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A361 H364 H383 Y384 S391 F394 A397 | A361-A387 WeakPolarHBondContact O-CB 3.32Å; H364-A387 HydrophobicContact CB-CB 3.84Å; H383-A387 PolarHBondContact O-N 2.73Å; Y384-A387 PolarHBondContact O-N 2.71Å; A387-S391 PolarHBondContact O-N 2.86Å; A387-F394 HydrophobicContact CB-CD1 4.42Å; A387-A397 HydrophobicContact CB-CB 4.27Å |
| 388 | I | 96.7 | Very high | 96.1 | Very high | 19 Ų | 19 | 52.8 Ų | 52.8 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -72.7 | -36.9 | 178 | -70 | 165.2 | 0 | 0 | 0 | 112 | Y384 K385 E386 I390 S391 P392 A397 Y398 M401 | Y384-I388 WeakPolarHBondContact O-CG1 3.24Å; Y384-I388 PolarHBondContact O-N 3.1Å; K385-I388 PolarHBondContact O-N 3.15Å; E386-I388 PolarHBondContact O-N 3.34Å; I388-I390 VanDerWaalsContact C-N 3.32Å; I388-S391 CarbonylContact O-C 3.56Å; I388-P392 VanDerWaalsContact O-CA 3.28Å; I388-P392 WeakPolarHBondContact O-CA 3.29Å; I388-P392 VanDerWaalsContact O-N 3.13Å; I388-A397 HydrophobicContact CD1-CB 4.46Å; I388-A397 HydrophobicContact CG1-CB 3.92Å; I388-Y398 HydrophobicContact CB-CE2 4.5Å; I388-Y398 HydrophobicContact CD1-CD1 3.83Å; I388-Y398 HydrophobicContact CD1-CD2 4.21Å; I388-Y398 HydrophobicContact CD1-CE1 3.96Å; I388-Y398 HydrophobicContact CD1-CE2 4.32Å; I388-Y398 HydrophobicContact CD1-CG 3.97Å; I388-Y398 HydrophobicContact CG1-CD2 4.12Å; I388-Y398 HydrophobicContact CG1-CE1 4.46Å; I388-Y398 HydrophobicContact CG1-CE2 4.01Å; I388-Y398 HydrophobicContact CG1-CG 4.39Å; I388-Y398 HydrophobicContact CG2-CE1 3.95Å; I388-Y398 HydrophobicContact CG2-CE2 3.77Å; I388-Y398 WeakPolarHBondContact CG2-OH 3.2Å; I388-M401 HydrophobicContact CD1-CE 3.62Å; I388-M401 HydrophobicContact CD1-SD 3.85Å |
| 389 | R | 97.4 | Very high | 96.3 | Very high | 127 Ų | 127 | 46.5 Ų | 46.5 | 48% | 0.479 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.3 | -44.2 | 174.9 | -175.1 | -169.6 | 63.2 | 72.4 | -3.4 | 110.7 | E359 K385 E386 | E359-R389 IonicContact OE1-CZ 2.78Å; E359-R389 IonicContact OE1-NH1 3.12Å; E359-R389 PolarHBondContact OE1-NH1 3.34Å; E359-R389 IonicContact OE1-NH2 3.49Å; E359-R389 PolarHBondContact OE1-NH2 3.29Å; E359-R389 IonicContact OE2-CZ 3.69Å; E359-R389 IonicContact OE2-NH1 2.71Å; E359-R389 PolarHBondContact OE2-NH1 2.85Å; E359-R389 IonicContact OE2-NH2 3.69Å; K385-R389 WeakPolarHBondContact O-CB 3.46Å; K385-R389 PolarHBondContact O-N 2.97Å; E386-R389 WeakPolarHBondContact O-CB 3.27Å; E386-R389 PolarHBondContact O-N 2.94Å; E386-R389 VanDerWaalsContact O-N 3.12Å; E386-R389 IonicContact OE1-NE 2.74Å; E386-R389 IonicContact OE2-CZ 2.64Å; E386-R389 IonicContact OE2-NE 2.92Å; E386-R389 PolarHBondContact OE2-NE 3.44Å; E386-R389 IonicContact OE2-NH2 3.92Å; E386-R389 PolarHBondContact OE2-NH2 3.19Å |
| 390 | I | 96.6 | Very high | 96.3 | Very high | 39 Ų | 39 | 45.1 Ų | 45.1 | 20% | 0.2 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.3 | -46.2 | 179.8 | -61.4 | 159.3 | 0 | 0 | 0 | 110.4 | E359 A361 E386 I388 | E359-I390 HydrophobicContact CB-CG2 4.33Å; E359-I390 WeakPolarHBondContact O-CG2 3.37Å; A361-I390 HydrophobicContact CB-CB 4.07Å; A361-I390 HydrophobicContact CB-CG2 3.87Å; E386-I390 WeakPolarHBondContact O-CD1 3.41Å; E386-I390 WeakPolarHBondContact O-CG1 3.5Å; E386-I390 PolarHBondContact O-N 2.64Å; I388-I390 VanDerWaalsContact C-N 3.32Å |
| 391 | S | 95.2 | Very high | 96.4 | Very high | 38 Ų | 38 | 46 Ų | 46 | 27% | 0.266 | 23% | 0.232 | S | C | . | . | trans | -127.8 | 89.3 | -179.7 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | A387 I388 T393 F394 | A387-S391 PolarHBondContact O-N 2.86Å; I388-S391 CarbonylContact O-C 3.56Å; S391-T393 PolarHBondContact O-N 3.32Å; S391-F394 VanDerWaalsContact O-CB 3.27Å; S391-F394 WeakPolarHBondContact O-CB 3.25Å; S391-F394 PolarHBondContact O-N 3.31Å | ||
| 392 | P | 96.1 | Very high | 96.4 | Very high | 70 Ų | 70 | 45.6 Ų | 45.6 | 46% | 0.455 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -11.7 | -178 | -25.8 | 35.7 | 0 | 0 | 0 | 115.1 | I388 Y398 I424 | I388-P392 VanDerWaalsContact O-CA 3.28Å; I388-P392 WeakPolarHBondContact O-CA 3.29Å; I388-P392 VanDerWaalsContact O-N 3.13Å; P392-Y398 WeakPolarHBondContact O-CE2 3.16Å; P392-I424 WeakPolarHBondContact O-CD1 3.49Å |
| 393 | T | 95.5 | Very high | 96.2 | Very high | 102 Ų | 102 | 42.6 Ų | 42.6 | 63% | 0.626 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.8 | 12.3 | 176.7 | 53.8 | 0 | 0 | 0 | 0 | 112.7 | S391 A395 I424 | S391-T393 PolarHBondContact O-N 3.32Å; T393-A395 PolarHBondContact O-N 3.16Å; T393-I424 WeakPolarHBondContact O-CG2 3.5Å |
| 394 | F | 94.8 | Very high | 96 | Very high | 51 Ų | 51 | 41.4 Ų | 41.4 | 22% | 0.224 | 21% | 0.21 | C | C | . | . | trans | -81.3 | 83 | 179.9 | -162.6 | 179.1 | 0 | 0 | 0 | 112 | A361 A387 S391 D396 A397 Y398 | A361-F394 HydrophobicContact CB-CD1 4.23Å; A361-F394 HydrophobicContact CB-CE1 4.43Å; A387-F394 HydrophobicContact CB-CD1 4.42Å; S391-F394 VanDerWaalsContact O-CB 3.27Å; S391-F394 WeakPolarHBondContact O-CB 3.25Å; S391-F394 PolarHBondContact O-N 3.31Å; F394-D396 VanDerWaalsContact C-N 3.34Å; F394-D396 HydrophobicContact CD2-CB 4.21Å; F394-D396 HydrophobicContact CE2-CB 3.88Å; F394-D396 PolarHBondContact O-N 3.36Å; F394-A397 HydrophobicContact CB-CB 4.13Å; F394-A397 HydrophobicContact CD1-CB 3.77Å; F394-A397 HydrophobicContact CD2-CB 4.43Å; F394-A397 HydrophobicContact CE1-CB 4.31Å; F394-A397 HydrophobicContact CG-CB 3.84Å; F394-A397 WeakPolarHBondContact O-CB 3.1Å; F394-A397 PolarHBondContact O-N 3.22Å; F394-A397 VanDerWaalsContact O-N 3.13Å; F394-Y398 WeakPolarHBondContact O-CD2 3.38Å; F394-Y398 PolarHBondContact O-N 3.28Å | ||
| 395 | A | 95.3 | Very high | 95.9 | Very high | 7 Ų | 7 | 42.3 Ų | 42.3 | 6% | 0.058 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -55.6 | -41.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114 | T393 A397 Y398 S399 I424 N425 F428 | T393-A395 PolarHBondContact O-N 3.16Å; A395-A397 VanDerWaalsContact C-N 3.32Å; A395-A397 PolarHBondContact O-N 3.13Å; A395-Y398 PolarHBondContact O-N 3.17Å; A395-S399 PolarHBondContact O-N 2.92Å; A395-I424 HydrophobicContact CB-CB 4.26Å; A395-I424 HydrophobicContact CB-CG2 3.93Å; A395-N425 HydrophobicContact CB-CB 4Å; A395-F428 HydrophobicContact CB-CD1 4.08Å; A395-F428 HydrophobicContact CB-CE1 4.2Å |
| 396 | D | 93.9 | Very high | 95.5 | Very high | 78 Ų | 78 | 39.6 Ų | 39.6 | 42% | 0.417 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 178.3 | -62.9 | -77.9 | 0 | 0 | 0 | 112.6 | F394 Y398 S399 N400 F428 | F394-D396 VanDerWaalsContact C-N 3.34Å; F394-D396 HydrophobicContact CD2-CB 4.21Å; F394-D396 HydrophobicContact CE2-CB 3.88Å; F394-D396 PolarHBondContact O-N 3.36Å; D396-Y398 PolarHBondContact O-N 2.83Å; D396-S399 PolarHBondContact O-N 3.02Å; D396-N400 WeakPolarHBondContact O-CB 3.19Å; D396-N400 VanDerWaalsContact O-CG 3.28Å; D396-N400 PolarHBondContact O-N 2.95Å; D396-N400 PolarHBondContact O-ND2 2.92Å; D396-F428 VanDerWaalsContact OD1-CZ 3.25Å; D396-F428 WeakPolarHBondContact OD1-CZ 3.39Å |
| 397 | A | 95.5 | Very high | 95 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A387 I388 F394 A395 M401 | A387-A397 HydrophobicContact CB-CB 4.27Å; I388-A397 HydrophobicContact CD1-CB 4.46Å; I388-A397 HydrophobicContact CG1-CB 3.92Å; F394-A397 HydrophobicContact CB-CB 4.13Å; F394-A397 HydrophobicContact CD1-CB 3.77Å; F394-A397 HydrophobicContact CD2-CB 4.43Å; F394-A397 HydrophobicContact CE1-CB 4.31Å; F394-A397 HydrophobicContact CG-CB 3.84Å; F394-A397 WeakPolarHBondContact O-CB 3.1Å; F394-A397 PolarHBondContact O-N 3.22Å; F394-A397 VanDerWaalsContact O-N 3.13Å; A395-A397 VanDerWaalsContact C-N 3.32Å; A395-A397 PolarHBondContact O-N 3.13Å; A397-M401 WeakPolarHBondContact O-CB 3.38Å; A397-M401 PolarHBondContact O-N 3.45Å |
| 398 | Y | 97.5 | Very high | 94.5 | Very high | 35 Ų | 35 | 44.7 Ų | 44.7 | 14% | 0.137 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -47 | 172.5 | -79.3 | -81.9 | 0 | 0 | 0 | 111.9 | I388 P392 F394 A395 D396 N400 M401 G402 C417 R420 I424 | I388-Y398 HydrophobicContact CB-CE2 4.5Å; I388-Y398 HydrophobicContact CD1-CD1 3.83Å; I388-Y398 HydrophobicContact CD1-CD2 4.21Å; I388-Y398 HydrophobicContact CD1-CE1 3.96Å; I388-Y398 HydrophobicContact CD1-CE2 4.32Å; I388-Y398 HydrophobicContact CD1-CG 3.97Å; I388-Y398 HydrophobicContact CG1-CD2 4.12Å; I388-Y398 HydrophobicContact CG1-CE1 4.46Å; I388-Y398 HydrophobicContact CG1-CE2 4.01Å; I388-Y398 HydrophobicContact CG1-CG 4.39Å; I388-Y398 HydrophobicContact CG2-CE1 3.95Å; I388-Y398 HydrophobicContact CG2-CE2 3.77Å; I388-Y398 WeakPolarHBondContact CG2-OH 3.2Å; P392-Y398 WeakPolarHBondContact O-CE2 3.16Å; F394-Y398 WeakPolarHBondContact O-CD2 3.38Å; F394-Y398 PolarHBondContact O-N 3.28Å; A395-Y398 PolarHBondContact O-N 3.17Å; D396-Y398 PolarHBondContact O-N 2.83Å; Y398-N400 PolarHBondContact O-N 3.33Å; Y398-M401 PolarHBondContact O-N 3.35Å; Y398-G402 PolarHBondContact O-N 3.15Å; Y398-C417 WeakPolarHBondContact O-CB 3.44Å; Y398-R420 HydrophobicContact CD1-CB 3.9Å; Y398-R420 HydrophobicContact CD1-CG 3.81Å; Y398-R420 HydrophobicContact CD2-CG 4.3Å; Y398-R420 HydrophobicContact CE1-CB 4.01Å; Y398-R420 HydrophobicContact CE1-CG 3.49Å; Y398-R420 VanDerWaalsContact CE1-CG 3.49Å; Y398-R420 HydrophobicContact CE2-CG 4.04Å; Y398-R420 HydrophobicContact CG-CB 4.36Å; Y398-R420 HydrophobicContact CG-CG 4.19Å; Y398-I424 HydrophobicContact CD2-CD1 3.69Å; Y398-I424 HydrophobicContact CE2-CD1 3.57Å |
| 399 | S | 96.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.9 | -46.6 | -180 | -170.3 | 0 | 0 | 0 | 0 | 111.8 | A395 D396 G402 N403 Y418 | A395-S399 PolarHBondContact O-N 2.92Å; D396-S399 PolarHBondContact O-N 3.02Å; S399-G402 PolarHBondContact O-N 3.27Å; S399-N403 PolarHBondContact O-N 2.92Å; S399-Y418 WeakPolarHBondContact O-CE1 3.23Å |
| 400 | N | 95.4 | Very high | 93.6 | Very high | 47 Ų | 47 | 49.1 Ų | 49.1 | 25% | 0.251 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -69.2 | -36.2 | 179.9 | -67.5 | -23.4 | 0 | 0 | 0 | 112.7 | Y384 D396 Y398 G402 N403 T404 | Y384-N400 HydrophobicContact CD1-CB 4.44Å; Y384-N400 HydrophobicContact CE1-CB 3.57Å; Y384-N400 HydrophobicContact CE2-CB 4.34Å; Y384-N400 WeakPolarHBondContact OH-CB 3.39Å; D396-N400 WeakPolarHBondContact O-CB 3.19Å; D396-N400 VanDerWaalsContact O-CG 3.28Å; D396-N400 PolarHBondContact O-N 2.95Å; D396-N400 PolarHBondContact O-ND2 2.92Å; Y398-N400 PolarHBondContact O-N 3.33Å; N400-G402 VanDerWaalsContact C-N 3.32Å; N400-N403 WeakPolarHBondContact O-CB 3.28Å; N400-N403 PolarHBondContact O-N 3.21Å; N400-T404 PolarHBondContact O-N 3.03Å; N400-T404 VanDerWaalsContact O-N 3.08Å; N400-T404 PolarHBondContact O-OG1 3.34Å |
| 401 | M | 97.1 | Very high | 93.3 | Very high | 20 Ų | 20 | 50 Ų | 50 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 170.2 | -169 | 170.8 | 74.1 | 0 | 0 | 111.1 | L381 Y384 K385 I388 A397 Y398 N403 T404 L405 C417 | L381-M401 HydrophobicContact CD2-CG 3.66Å; Y384-M401 HydrophobicContact CD2-CB 4.05Å; Y384-M401 HydrophobicContact CD2-CG 4.35Å; Y384-M401 HydrophobicContact CG-CB 3.96Å; Y384-M401 HydrophobicContact CG-CG 4.4Å; K385-M401 HydrophobicContact CG-SD 4.02Å; I388-M401 HydrophobicContact CD1-CE 3.62Å; I388-M401 HydrophobicContact CD1-SD 3.85Å; A397-M401 WeakPolarHBondContact O-CB 3.38Å; A397-M401 PolarHBondContact O-N 3.45Å; Y398-M401 PolarHBondContact O-N 3.35Å; M401-N403 VanDerWaalsContact C-N 3.31Å; M401-N403 PolarHBondContact O-N 3.1Å; M401-T404 WeakPolarHBondContact O-CB 3.32Å; M401-T404 PolarHBondContact O-N 3.18Å; M401-T404 VanDerWaalsContact O-N 3.13Å; M401-L405 HydrophobicContact CG-CD1 4.26Å; M401-L405 WeakPolarHBondContact O-CG 3.09Å; M401-L405 PolarHBondContact O-N 2.66Å; M401-C417 WeakPolarHBondContact CE-SG 3.32Å |
| 402 | G | 96 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.4 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y398 S399 N400 T404 L405 K406 A414 Y418 | Y398-G402 PolarHBondContact O-N 3.15Å; S399-G402 PolarHBondContact O-N 3.27Å; N400-G402 VanDerWaalsContact C-N 3.32Å; G402-T404 VanDerWaalsContact C-N 3.34Å; G402-T404 PolarHBondContact O-N 3.25Å; G402-L405 PolarHBondContact O-N 2.78Å; G402-K406 WeakPolarHBondContact O-CB 3.42Å; G402-K406 PolarHBondContact O-N 3.26Å; G402-A414 WeakPolarHBondContact O-CB 3.37Å; G402-Y418 VanDerWaalsContact C-OH 3.25Å; G402-Y418 PolarHBondContact O-OH 3.27Å |
| 403 | N | 93.5 | Very high | 93.1 | Very high | 44 Ų | 44 | 51.3 Ų | 51.3 | 24% | 0.235 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 174.5 | -65.4 | -22.1 | 0 | 0 | 0 | 112 | S399 N400 M401 K406 E407 Y418 N434 | S399-N403 PolarHBondContact O-N 2.92Å; N400-N403 WeakPolarHBondContact O-CB 3.28Å; N400-N403 PolarHBondContact O-N 3.21Å; M401-N403 VanDerWaalsContact C-N 3.31Å; M401-N403 PolarHBondContact O-N 3.1Å; N403-K406 PolarHBondContact O-N 3.46Å; N403-E407 PolarHBondContact O-N 3.46Å; N403-Y418 VanDerWaalsContact CA-OH 3.31Å; N403-Y418 WeakPolarHBondContact CA-OH 3.32Å; N403-Y418 PolarHBondContact N-OH 3.3Å; N403-Y418 WeakPolarHBondContact OD1-CE1 3.45Å; N403-Y418 PolarHBondContact OD1-OH 3.39Å; N403-N434 PolarHBondContact OD1-ND2 3.41Å |
| 404 | T | 94.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.5 | -43.5 | 177.6 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | Q372 L377 A380 L381 Y384 N400 M401 G402 E407 M408 | Q372-T404 HydrophobicContact CG-CG2 4.46Å; Q372-T404 PolarHBondContact NE2-OG1 3.32Å; Q372-T404 PolarHBondContact OE1-OG1 2.95Å; L377-T404 HydrophobicContact CB-CG2 4.07Å; L377-T404 HydrophobicContact CD2-CG2 4.16Å; A380-T404 HydrophobicContact CB-CG2 4.35Å; L381-T404 HydrophobicContact CD2-CG2 3.87Å; L381-T404 HydrophobicContact CG-CG2 3.9Å; Y384-T404 WeakPolarHBondContact CE2-OG1 3.3Å; N400-T404 PolarHBondContact O-N 3.03Å; N400-T404 VanDerWaalsContact O-N 3.08Å; N400-T404 PolarHBondContact O-OG1 3.34Å; M401-T404 WeakPolarHBondContact O-CB 3.32Å; M401-T404 PolarHBondContact O-N 3.18Å; M401-T404 VanDerWaalsContact O-N 3.13Å; G402-T404 VanDerWaalsContact C-N 3.34Å; G402-T404 PolarHBondContact O-N 3.25Å; T404-E407 WeakPolarHBondContact O-CB 3.43Å; T404-E407 PolarHBondContact O-N 3.2Å; T404-M408 HydrophobicContact CG2-SD 4.38Å; T404-M408 WeakPolarHBondContact O-CG 3.44Å; T404-M408 PolarHBondContact O-N 3.37Å |
| 405 | L | 94.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 46.2 Ų | 46.2 | 9% | 0.094 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.8 | -40.7 | 176.5 | -69.6 | 169.7 | 0 | 0 | 0 | 111.9 | L381 M401 G402 E407 M408 Q409 D410 A414 C417 | L381-L405 HydrophobicContact CD1-CD2 3.78Å; L381-L405 HydrophobicContact CD2-CD2 3.69Å; L381-L405 HydrophobicContact CD2-CG 3.8Å; L381-L405 HydrophobicContact CG-CD2 4.41Å; M401-L405 HydrophobicContact CG-CD1 4.26Å; M401-L405 WeakPolarHBondContact O-CG 3.09Å; M401-L405 PolarHBondContact O-N 2.66Å; G402-L405 PolarHBondContact O-N 2.78Å; L405-E407 VanDerWaalsContact C-N 3.33Å; L405-E407 PolarHBondContact O-N 3.14Å; L405-M408 CarbonylContact O-C 3.04Å; L405-M408 WeakPolarHBondContact O-CA 3.31Å; L405-M408 PolarHBondContact O-N 3.37Å; L405-M408 VanDerWaalsContact O-N 3.15Å; L405-Q409 PolarHBondContact O-N 2.99Å; L405-Q409 VanDerWaalsContact O-N 3.14Å; L405-D410 HydrophobicContact CB-CB 4.26Å; L405-D410 HydrophobicContact CD2-CB 4.18Å; L405-D410 PolarHBondContact O-N 3.25Å; L405-A414 HydrophobicContact CB-CB 4.13Å; L405-C417 VanDerWaalsContact CD1-SG 3.56Å |
| 406 | K | 90 | Very high | 93.1 | Very high | 70 Ų | 70 | 52.3 Ų | 52.3 | 30% | 0.304 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.7 | -43.5 | 174.5 | -176.6 | -174.7 | 178.4 | -171.7 | 0 | 111.5 | G402 N403 M408 Q409 A414 S437 I438 | G402-K406 WeakPolarHBondContact O-CB 3.42Å; G402-K406 PolarHBondContact O-N 3.26Å; N403-K406 PolarHBondContact O-N 3.46Å; K406-M408 VanDerWaalsContact C-N 3.28Å; K406-M408 PolarHBondContact O-N 3.16Å; K406-Q409 WeakPolarHBondContact O-CA 3.47Å; K406-Q409 PolarHBondContact O-N 3.33Å; K406-A414 HydrophobicContact CB-CB 4.1Å; K406-S437 PolarHBondContact NZ-OG 3.05Å; K406-I438 HydrophobicContact CB-CD1 4.38Å; K406-I438 HydrophobicContact CD-CD1 3.78Å; K406-I438 HydrophobicContact CG-CD1 3.81Å |
| 407 | E | 85.4 | Confident | 93.3 | Very high | 110 Ų | 110 | 49 Ų | 49 | 51% | 0.514 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.4 | -34.9 | 176.4 | -171.3 | 173.6 | -179.4 | 0 | 0 | 112.2 | L377 N403 T404 L405 Q409 | L377-E407 HydrophobicContact CD1-CB 4.38Å; L377-E407 HydrophobicContact CD1-CG 3.91Å; L377-E407 HydrophobicContact CD2-CG 4.45Å; L377-E407 WeakPolarHBondContact CD2-OE2 3.5Å; N403-E407 PolarHBondContact O-N 3.46Å; T404-E407 WeakPolarHBondContact O-CB 3.43Å; T404-E407 PolarHBondContact O-N 3.2Å; L405-E407 VanDerWaalsContact C-N 3.33Å; L405-E407 PolarHBondContact O-N 3.14Å; E407-Q409 PolarHBondContact O-N 3.4Å |
| 408 | M | 86.7 | Confident | 93.4 | Very high | 61 Ų | 61 | 49 Ų | 49 | 30% | 0.3 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 4.1 | 172.1 | -65.9 | 176.6 | 52.6 | 0 | 0 | 114.2 | L377 L381 T404 L405 K406 D410 | L377-M408 HydrophobicContact CB-CG 3.84Å; L377-M408 HydrophobicContact CB-SD 3.65Å; L377-M408 HydrophobicContact CD1-CG 3.56Å; L377-M408 HydrophobicContact CG-CG 4.32Å; L381-M408 HydrophobicContact CD1-CE 3.75Å; L381-M408 HydrophobicContact CD1-SD 3.41Å; L381-M408 WeakPolarHBondContact CD1-SD 3.31Å; L381-M408 HydrophobicContact CG-SD 4.12Å; T404-M408 HydrophobicContact CG2-SD 4.38Å; T404-M408 WeakPolarHBondContact O-CG 3.44Å; T404-M408 PolarHBondContact O-N 3.37Å; L405-M408 CarbonylContact O-C 3.04Å; L405-M408 WeakPolarHBondContact O-CA 3.31Å; L405-M408 PolarHBondContact O-N 3.37Å; L405-M408 VanDerWaalsContact O-N 3.15Å; K406-M408 VanDerWaalsContact C-N 3.28Å; K406-M408 PolarHBondContact O-N 3.16Å; M408-D410 PolarHBondContact O-N 2.96Å |
| 409 | Q | 84.3 | Confident | 93.3 | Very high | 168 Ų | 168 | 49.8 Ų | 49.8 | 79% | 0.785 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63 | 15.7 | -175.5 | -52.6 | -175.3 | -9.1 | 0 | 0 | 115.1 | L405 K406 E407 V411 | L405-Q409 PolarHBondContact O-N 2.99Å; L405-Q409 VanDerWaalsContact O-N 3.14Å; K406-Q409 WeakPolarHBondContact O-CA 3.47Å; K406-Q409 PolarHBondContact O-N 3.33Å; E407-Q409 PolarHBondContact O-N 3.4Å; Q409-V411 VanDerWaalsContact C-N 3.31Å; Q409-V411 PolarHBondContact O-N 3.36Å |
| 410 | D | 90.9 | Very high | 93.4 | Very high | 71 Ų | 71 | 54.6 Ų | 54.6 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | trans | -82.2 | 78.8 | 168.3 | -176.6 | 4.7 | 0 | 0 | 0 | 110.3 | L405 M408 Q412 G413 A414 | L405-D410 HydrophobicContact CB-CB 4.26Å; L405-D410 HydrophobicContact CD2-CB 4.18Å; L405-D410 PolarHBondContact O-N 3.25Å; M408-D410 PolarHBondContact O-N 2.96Å; D410-Q412 VanDerWaalsContact C-N 3.32Å; D410-Q412 PolarHBondContact O-N 2.87Å; D410-Q412 PolarHBondContact OD1-N 3.44Å; D410-G413 PolarHBondContact O-N 3.32Å; D410-G413 PolarHBondContact OD1-N 3.14Å; D410-A414 WeakPolarHBondContact O-CB 3.47Å; D410-A414 PolarHBondContact O-N 3.06Å | ||
| 411 | V | 90.6 | Very high | 93.5 | Very high | 58 Ų | 58 | 52.3 Ų | 52.3 | 35% | 0.352 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.2 | -38.2 | -177.7 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | Q409 A414 L415 I438 | Q409-V411 VanDerWaalsContact C-N 3.31Å; Q409-V411 PolarHBondContact O-N 3.36Å; V411-A414 PolarHBondContact O-N 3.49Å; V411-L415 WeakPolarHBondContact O-CB 3.45Å; V411-L415 PolarHBondContact O-N 2.94Å; V411-I438 HydrophobicContact CG1-CD1 4.44Å; V411-I438 HydrophobicContact CG1-CG2 3.7Å |
| 412 | Q | 93.3 | Very high | 93.5 | Very high | 125 Ų | 125 | 52.6 Ų | 52.6 | 58% | 0.584 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -69.9 | -44.5 | -178.8 | -70.6 | -63.7 | -29.5 | 0 | 0 | 111.1 | D410 A414 L415 Q416 | D410-Q412 VanDerWaalsContact C-N 3.32Å; D410-Q412 PolarHBondContact O-N 2.87Å; D410-Q412 PolarHBondContact OD1-N 3.44Å; Q412-A414 VanDerWaalsContact C-N 3.34Å; Q412-A414 PolarHBondContact O-N 3.44Å; Q412-L415 PolarHBondContact O-N 3.08Å; Q412-Q416 WeakPolarHBondContact O-CG 3.36Å; Q412-Q416 PolarHBondContact O-N 3.23Å; Q412-Q416 VanDerWaalsContact O-N 3.16Å |
| 413 | G | 94.2 | Very high | 93.6 | Very high | 10 Ų | 10 | 58.2 Ų | 58.2 | 10% | 0.103 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -59.9 | -43.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | D410 L415 Q416 C417 | D410-G413 PolarHBondContact O-N 3.32Å; D410-G413 PolarHBondContact OD1-N 3.14Å; G413-L415 PolarHBondContact O-N 3.19Å; G413-Q416 PolarHBondContact O-N 3.24Å; G413-C417 PolarHBondContact O-N 2.92Å; G413-C417 VanDerWaalsContact O-N 3.07Å; G413-C417 PolarHBondContact O-SG 3.47Å |
| 414 | A | 96.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G402 L405 K406 D410 V411 Q412 Q416 C417 Y418 I438 | G402-A414 WeakPolarHBondContact O-CB 3.37Å; L405-A414 HydrophobicContact CB-CB 4.13Å; K406-A414 HydrophobicContact CB-CB 4.1Å; D410-A414 WeakPolarHBondContact O-CB 3.47Å; D410-A414 PolarHBondContact O-N 3.06Å; V411-A414 PolarHBondContact O-N 3.49Å; Q412-A414 VanDerWaalsContact C-N 3.34Å; Q412-A414 PolarHBondContact O-N 3.44Å; A414-Q416 VanDerWaalsContact C-N 3.34Å; A414-Q416 PolarHBondContact O-N 3Å; A414-C417 WeakPolarHBondContact O-CB 3.41Å; A414-C417 PolarHBondContact O-N 3.02Å; A414-Y418 HydrophobicContact CB-CE2 3.95Å; A414-Y418 WeakPolarHBondContact O-CD2 3.28Å; A414-Y418 PolarHBondContact O-N 3.05Å; A414-I438 HydrophobicContact CB-CD1 4.3Å |
| 415 | L | 94.9 | Very high | 93.8 | Very high | 45 Ų | 45 | 61.6 Ų | 61.6 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -56.9 | -46 | 177.9 | -169.1 | 86.3 | 0 | 0 | 0 | 111.9 | V411 Q412 G413 C417 T419 L435 I438 | V411-L415 WeakPolarHBondContact O-CB 3.45Å; V411-L415 PolarHBondContact O-N 2.94Å; Q412-L415 PolarHBondContact O-N 3.08Å; G413-L415 PolarHBondContact O-N 3.19Å; L415-C417 VanDerWaalsContact C-N 3.35Å; L415-T419 WeakPolarHBondContact O-CB 3.19Å; L415-T419 PolarHBondContact O-N 3.22Å; L415-T419 PolarHBondContact O-OG1 3.11Å; L415-L435 HydrophobicContact CD1-CD1 3.48Å; L415-L435 VanDerWaalsContact CD1-CD1 3.48Å; L415-L435 HydrophobicContact CG-CD1 4.24Å; L415-I438 HydrophobicContact CB-CG2 4.5Å; L415-I438 HydrophobicContact CD1-CB 4.45Å; L415-I438 HydrophobicContact CD1-CG2 3.72Å |
| 416 | Q | 95.8 | Very high | 93.9 | Very high | 135 Ų | 135 | 64.9 Ų | 64.9 | 63% | 0.631 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.7 | -43.1 | 178.3 | -69.7 | 175.9 | 6.6 | 0 | 0 | 111.4 | Q412 G413 A414 T419 R420 | Q412-Q416 WeakPolarHBondContact O-CG 3.36Å; Q412-Q416 PolarHBondContact O-N 3.23Å; Q412-Q416 VanDerWaalsContact O-N 3.16Å; G413-Q416 PolarHBondContact O-N 3.24Å; A414-Q416 VanDerWaalsContact C-N 3.34Å; A414-Q416 PolarHBondContact O-N 3Å; Q416-T419 PolarHBondContact O-N 2.68Å; Q416-R420 WeakPolarHBondContact O-CB 3.28Å; Q416-R420 PolarHBondContact O-N 3.23Å |
| 417 | C | 97.1 | Very high | 94.2 | Very high | 9 Ų | 9 | 64.4 Ų | 64.4 | 6% | 0.061 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.3 | -49.8 | 179.1 | -68.6 | 0 | 0 | 0 | 0 | 112.3 | Y398 M401 L405 G413 A414 L415 T419 R420 A421 | Y398-C417 WeakPolarHBondContact O-CB 3.44Å; M401-C417 WeakPolarHBondContact CE-SG 3.32Å; L405-C417 VanDerWaalsContact CD1-SG 3.56Å; G413-C417 PolarHBondContact O-N 2.92Å; G413-C417 VanDerWaalsContact O-N 3.07Å; G413-C417 PolarHBondContact O-SG 3.47Å; A414-C417 WeakPolarHBondContact O-CB 3.41Å; A414-C417 PolarHBondContact O-N 3.02Å; L415-C417 VanDerWaalsContact C-N 3.35Å; C417-T419 PolarHBondContact O-N 2.69Å; C417-R420 PolarHBondContact O-N 2.93Å; C417-A421 PolarHBondContact O-N 2.79Å |
| 418 | Y | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.4 | -41.5 | 178.6 | -58.7 | -46.6 | 0 | 0 | 0 | 112 | S399 G402 N403 A414 R420 A421 I422 N434 I438 | S399-Y418 WeakPolarHBondContact O-CE1 3.23Å; G402-Y418 VanDerWaalsContact C-OH 3.25Å; G402-Y418 PolarHBondContact O-OH 3.27Å; N403-Y418 VanDerWaalsContact CA-OH 3.31Å; N403-Y418 WeakPolarHBondContact CA-OH 3.32Å; N403-Y418 PolarHBondContact N-OH 3.3Å; N403-Y418 WeakPolarHBondContact OD1-CE1 3.45Å; N403-Y418 PolarHBondContact OD1-OH 3.39Å; A414-Y418 HydrophobicContact CB-CE2 3.95Å; A414-Y418 WeakPolarHBondContact O-CD2 3.28Å; A414-Y418 PolarHBondContact O-N 3.05Å; Y418-R420 VanDerWaalsContact C-N 3.28Å; Y418-R420 PolarHBondContact O-N 3.14Å; Y418-A421 PolarHBondContact O-N 3.5Å; Y418-I422 WeakPolarHBondContact O-CG1 3.21Å; Y418-I422 PolarHBondContact O-N 2.98Å; Y418-N434 HydrophobicContact CD1-CB 3.85Å; Y418-N434 HydrophobicContact CD2-CB 4.23Å; Y418-N434 HydrophobicContact CE1-CB 3.5Å; Y418-N434 HydrophobicContact CE2-CB 3.93Å; Y418-N434 HydrophobicContact CG-CB 4.2Å; Y418-I438 HydrophobicContact CD2-CG1 4.14Å; Y418-I438 HydrophobicContact CE2-CD1 4.42Å; Y418-I438 HydrophobicContact CE2-CG1 3.78Å |
| 419 | T | 96.6 | Very high | 95.1 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 32% | 0.319 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.7 | -43.3 | 175.8 | -57.6 | 0 | 0 | 0 | 0 | 110.8 | L415 Q416 C417 I422 Q423 | L415-T419 WeakPolarHBondContact O-CB 3.19Å; L415-T419 PolarHBondContact O-N 3.22Å; L415-T419 PolarHBondContact O-OG1 3.11Å; Q416-T419 PolarHBondContact O-N 2.68Å; C417-T419 PolarHBondContact O-N 2.69Å; T419-I422 PolarHBondContact O-N 3.43Å; T419-Q423 WeakPolarHBondContact O-CG 3.46Å; T419-Q423 PolarHBondContact O-N 3.26Å |
| 420 | R | 97.2 | Very high | 95.7 | Very high | 103 Ų | 103 | 52.7 Ų | 52.7 | 39% | 0.389 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 178.5 | -171.9 | 55.6 | 177.7 | 172.3 | 3.6 | 112.5 | Y398 Q416 C417 Y418 I422 Q423 I424 | Y398-R420 HydrophobicContact CD1-CB 3.9Å; Y398-R420 HydrophobicContact CD1-CG 3.81Å; Y398-R420 HydrophobicContact CD2-CG 4.3Å; Y398-R420 HydrophobicContact CE1-CB 4.01Å; Y398-R420 HydrophobicContact CE1-CG 3.49Å; Y398-R420 VanDerWaalsContact CE1-CG 3.49Å; Y398-R420 HydrophobicContact CE2-CG 4.04Å; Y398-R420 HydrophobicContact CG-CB 4.36Å; Y398-R420 HydrophobicContact CG-CG 4.19Å; Q416-R420 WeakPolarHBondContact O-CB 3.28Å; Q416-R420 PolarHBondContact O-N 3.23Å; C417-R420 PolarHBondContact O-N 2.93Å; Y418-R420 VanDerWaalsContact C-N 3.28Å; Y418-R420 PolarHBondContact O-N 3.14Å; R420-I422 VanDerWaalsContact C-N 3.29Å; R420-I422 PolarHBondContact O-N 3.48Å; R420-Q423 PolarHBondContact O-N 2.96Å; R420-I424 HydrophobicContact CG-CD1 4.02Å; R420-I424 VanDerWaalsContact O-CG1 3.31Å; R420-I424 WeakPolarHBondContact O-CG1 3.37Å; R420-I424 PolarHBondContact O-N 3.29Å |
| 421 | A | 97.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.7 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | C417 Y418 I424 N425 F428 A431 | C417-A421 PolarHBondContact O-N 2.79Å; Y418-A421 PolarHBondContact O-N 3.5Å; A421-I424 PolarHBondContact O-N 3.47Å; A421-N425 PolarHBondContact O-N 3.35Å; A421-F428 HydrophobicContact CB-CD1 4.26Å; A421-A431 HydrophobicContact CB-CB 4.1Å |
| 422 | I | 97.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 47.5 Ų | 47.5 | 13% | 0.128 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -69.2 | -38.1 | 177 | -66.5 | 162.2 | 0 | 0 | 0 | 111.8 | Y418 T419 R420 I424 N425 P426 A431 L435 | Y418-I422 WeakPolarHBondContact O-CG1 3.21Å; Y418-I422 PolarHBondContact O-N 2.98Å; T419-I422 PolarHBondContact O-N 3.43Å; R420-I422 VanDerWaalsContact C-N 3.29Å; R420-I422 PolarHBondContact O-N 3.48Å; I422-I424 VanDerWaalsContact C-N 3.28Å; I422-I424 PolarHBondContact O-N 2.98Å; I422-N425 CarbonylContact O-C 3.54Å; I422-P426 WeakPolarHBondContact O-CA 3.4Å; I422-P426 WeakPolarHBondContact O-CD 3.4Å; I422-A431 HydrophobicContact CD1-CB 4.38Å; I422-A431 HydrophobicContact CG1-CB 3.8Å; I422-L435 HydrophobicContact CD1-CB 4.28Å; I422-L435 HydrophobicContact CD1-CD2 3.63Å |
| 423 | Q | 97.3 | Very high | 96.5 | Very high | 119 Ų | 119 | 41.9 Ų | 41.9 | 56% | 0.556 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -62.1 | -37.7 | 175.2 | -75.5 | 174 | -2.8 | 0 | 0 | 112.3 | T419 R420 | T419-Q423 WeakPolarHBondContact O-CG 3.46Å; T419-Q423 PolarHBondContact O-N 3.26Å; R420-Q423 PolarHBondContact O-N 2.96Å |
| 424 | I | 96.6 | Very high | 96.5 | Very high | 47 Ų | 47 | 43.1 Ų | 43.1 | 24% | 0.241 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.3 | -46.9 | 178.6 | -66.1 | 164 | 0 | 0 | 0 | 110.5 | P392 T393 A395 Y398 R420 A421 I422 | P392-I424 WeakPolarHBondContact O-CD1 3.49Å; T393-I424 WeakPolarHBondContact O-CG2 3.5Å; A395-I424 HydrophobicContact CB-CB 4.26Å; A395-I424 HydrophobicContact CB-CG2 3.93Å; Y398-I424 HydrophobicContact CD2-CD1 3.69Å; Y398-I424 HydrophobicContact CE2-CD1 3.57Å; R420-I424 HydrophobicContact CG-CD1 4.02Å; R420-I424 VanDerWaalsContact O-CG1 3.31Å; R420-I424 WeakPolarHBondContact O-CG1 3.37Å; R420-I424 PolarHBondContact O-N 3.29Å; A421-I424 PolarHBondContact O-N 3.47Å; I422-I424 VanDerWaalsContact C-N 3.28Å; I422-I424 PolarHBondContact O-N 2.98Å |
| 425 | N | 96.2 | Very high | 96.6 | Very high | 67 Ų | 67 | 44 Ų | 44 | 36% | 0.358 | 23% | 0.234 | S | C | . | . | trans | -127.5 | 92.7 | 177.4 | -179 | 5.1 | 0 | 0 | 0 | 110.6 | A395 A421 I422 A427 F428 | A395-N425 HydrophobicContact CB-CB 4Å; A421-N425 PolarHBondContact O-N 3.35Å; I422-N425 CarbonylContact O-C 3.54Å; N425-A427 PolarHBondContact O-N 3.4Å; N425-A427 VanDerWaalsContact O-N 3.12Å; N425-A427 PolarHBondContact OD1-N 2.9Å; N425-A427 VanDerWaalsContact OD1-N 3.14Å; N425-F428 HydrophobicContact CB-CB 4.14Å; N425-F428 VanDerWaalsContact O-CB 3.23Å; N425-F428 WeakPolarHBondContact O-CB 3.44Å; N425-F428 PolarHBondContact O-N 3.49Å; N425-F428 VanDerWaalsContact O-N 3.07Å | ||
| 426 | P | 96.6 | Very high | 96.7 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 57% | 0.571 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | -22.2 | 179.9 | -27.3 | 36.2 | 0 | 0 | 0 | 114.5 | I422 F428 H432 | I422-P426 WeakPolarHBondContact O-CA 3.4Å; I422-P426 WeakPolarHBondContact O-CD 3.4Å; P426-F428 VanDerWaalsContact C-N 3.3Å; P426-H432 PolarHBondContact O-NE2 3.42Å |
| 427 | A | 95.6 | Very high | 96.6 | Very high | 60 Ų | 60 | 36.1 Ų | 36.1 | 50% | 0.496 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | 6.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | N425 A429 L458 | N425-A427 PolarHBondContact O-N 3.4Å; N425-A427 VanDerWaalsContact O-N 3.12Å; N425-A427 PolarHBondContact OD1-N 2.9Å; N425-A427 VanDerWaalsContact OD1-N 3.14Å; A427-A429 PolarHBondContact O-N 3.03Å; A427-L458 HydrophobicContact CB-CD2 4.21Å |
| 428 | F | 95.7 | Very high | 96.4 | Very high | 23 Ų | 23 | 35.9 Ų | 35.9 | 10% | 0.101 | 20% | 0.196 | C | C | . | . | trans | -77.6 | 86.2 | -176.5 | -161.5 | 175.7 | 0 | 0 | 0 | 112.6 | A395 D396 A421 N425 P426 D430 A431 H432 | A395-F428 HydrophobicContact CB-CD1 4.08Å; A395-F428 HydrophobicContact CB-CE1 4.2Å; D396-F428 VanDerWaalsContact OD1-CZ 3.25Å; D396-F428 WeakPolarHBondContact OD1-CZ 3.39Å; A421-F428 HydrophobicContact CB-CD1 4.26Å; N425-F428 HydrophobicContact CB-CB 4.14Å; N425-F428 VanDerWaalsContact O-CB 3.23Å; N425-F428 WeakPolarHBondContact O-CB 3.44Å; N425-F428 PolarHBondContact O-N 3.49Å; N425-F428 VanDerWaalsContact O-N 3.07Å; P426-F428 VanDerWaalsContact C-N 3.3Å; F428-D430 VanDerWaalsContact C-N 3.35Å; F428-D430 HydrophobicContact CD2-CB 4.26Å; F428-D430 HydrophobicContact CE2-CB 3.93Å; F428-D430 PolarHBondContact O-N 3.25Å; F428-A431 HydrophobicContact CB-CB 4.09Å; F428-A431 HydrophobicContact CD1-CB 3.78Å; F428-A431 HydrophobicContact CD2-CB 4.43Å; F428-A431 HydrophobicContact CE1-CB 4.37Å; F428-A431 HydrophobicContact CG-CB 3.82Å; F428-A431 PolarHBondContact O-N 3.49Å; F428-A431 VanDerWaalsContact O-N 3.16Å; F428-H432 PolarHBondContact O-CD2 3.39Å; F428-H432 VanDerWaalsContact O-CD2 3.3Å; F428-H432 PolarHBondContact O-N 3.38Å | ||
| 429 | A | 96.7 | Very high | 96.3 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 7% | 0.066 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.1 | -42.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | A427 A431 H432 S433 L458 K459 F462 | A427-A429 PolarHBondContact O-N 3.03Å; A429-A431 PolarHBondContact O-N 3.42Å; A429-H432 PolarHBondContact O-N 3.05Å; A429-S433 PolarHBondContact O-N 3.17Å; A429-L458 HydrophobicContact CB-CB 3.95Å; A429-K459 HydrophobicContact CB-CB 3.74Å; A429-K459 HydrophobicContact CB-CD 4.45Å; A429-F462 HydrophobicContact CB-CE1 4.43Å |
| 430 | D | 95.4 | Very high | 96.1 | Very high | 62 Ų | 62 | 36.7 Ų | 36.7 | 33% | 0.332 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -63.8 | -38.8 | 179.5 | -61.3 | -80.9 | 0 | 0 | 0 | 112.1 | F428 H432 S433 N434 F462 | F428-D430 VanDerWaalsContact C-N 3.35Å; F428-D430 HydrophobicContact CD2-CB 4.26Å; F428-D430 HydrophobicContact CE2-CB 3.93Å; F428-D430 PolarHBondContact O-N 3.25Å; D430-H432 PolarHBondContact O-N 3.28Å; D430-S433 PolarHBondContact O-N 3.06Å; D430-N434 WeakPolarHBondContact O-CB 3.4Å; D430-N434 PolarHBondContact O-N 2.93Å; D430-N434 PolarHBondContact O-ND2 3.33Å; D430-F462 VanDerWaalsContact OD1-CZ 3.28Å; D430-F462 WeakPolarHBondContact OD1-CZ 3.42Å |
| 431 | A | 96.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -39.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A421 I422 F428 A429 N434 L435 | A421-A431 HydrophobicContact CB-CB 4.1Å; I422-A431 HydrophobicContact CD1-CB 4.38Å; I422-A431 HydrophobicContact CG1-CB 3.8Å; F428-A431 HydrophobicContact CB-CB 4.09Å; F428-A431 HydrophobicContact CD1-CB 3.78Å; F428-A431 HydrophobicContact CD2-CB 4.43Å; F428-A431 HydrophobicContact CE1-CB 4.37Å; F428-A431 HydrophobicContact CG-CB 3.82Å; F428-A431 PolarHBondContact O-N 3.49Å; F428-A431 VanDerWaalsContact O-N 3.16Å; A429-A431 PolarHBondContact O-N 3.42Å; A431-N434 PolarHBondContact O-N 2.99Å; A431-L435 VanDerWaalsContact O-CB 3.31Å; A431-L435 WeakPolarHBondContact O-CB 3.35Å; A431-L435 PolarHBondContact O-N 3.18Å |
| 432 | H | 98 | Very high | 95.2 | Very high | 19 Ų | 19 | 39.3 Ų | 39.3 | 9% | 0.088 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.9 | -42.3 | 172.6 | -76.7 | -79.2 | 0 | 0 | 0 | 112.1 | P426 F428 A429 D430 A436 A455 | P426-H432 PolarHBondContact O-NE2 3.42Å; F428-H432 PolarHBondContact O-CD2 3.39Å; F428-H432 VanDerWaalsContact O-CD2 3.3Å; F428-H432 PolarHBondContact O-N 3.38Å; A429-H432 PolarHBondContact O-N 3.05Å; D430-H432 PolarHBondContact O-N 3.28Å; H432-A436 WeakPolarHBondContact O-CB 3.19Å; H432-A436 PolarHBondContact O-N 2.94Å; H432-A455 HydrophobicContact CB-CB 3.88Å |
| 433 | S | 97.5 | Very high | 94.8 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -41.6 | 177.4 | -172.3 | 0 | 0 | 0 | 0 | 112.1 | A429 D430 A436 S437 | A429-S433 PolarHBondContact O-N 3.17Å; D430-S433 PolarHBondContact O-N 3.06Å; S433-A436 WeakPolarHBondContact O-CB 3.45Å; S433-A436 PolarHBondContact O-N 3.21Å; S433-S437 PolarHBondContact O-N 3.38Å |
| 434 | N | 95.5 | Very high | 94.7 | Very high | 37 Ų | 37 | 38.4 Ų | 38.4 | 20% | 0.198 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -67.1 | -42.4 | 177.4 | -69.7 | -22.7 | 0 | 0 | 0 | 111.9 | N403 Y418 D430 A431 A436 S437 I438 | N403-N434 PolarHBondContact OD1-ND2 3.41Å; Y418-N434 HydrophobicContact CD1-CB 3.85Å; Y418-N434 HydrophobicContact CD2-CB 4.23Å; Y418-N434 HydrophobicContact CE1-CB 3.5Å; Y418-N434 HydrophobicContact CE2-CB 3.93Å; Y418-N434 HydrophobicContact CG-CB 4.2Å; D430-N434 WeakPolarHBondContact O-CB 3.4Å; D430-N434 PolarHBondContact O-N 2.93Å; D430-N434 PolarHBondContact O-ND2 3.33Å; A431-N434 PolarHBondContact O-N 2.99Å; N434-A436 VanDerWaalsContact C-N 3.33Å; N434-A436 PolarHBondContact O-N 2.84Å; N434-S437 WeakPolarHBondContact O-CB 3.39Å; N434-S437 PolarHBondContact O-N 2.66Å; N434-I438 PolarHBondContact O-N 3.17Å |
| 435 | L | 96.3 | Very high | 94.7 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 9% | 0.089 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -43.9 | 172.6 | -178.8 | 62 | 0 | 0 | 0 | 111.3 | L415 I422 A431 S437 I438 H439 | L415-L435 HydrophobicContact CD1-CD1 3.48Å; L415-L435 VanDerWaalsContact CD1-CD1 3.48Å; L415-L435 HydrophobicContact CG-CD1 4.24Å; I422-L435 HydrophobicContact CD1-CB 4.28Å; I422-L435 HydrophobicContact CD1-CD2 3.63Å; A431-L435 VanDerWaalsContact O-CB 3.31Å; A431-L435 WeakPolarHBondContact O-CB 3.35Å; A431-L435 PolarHBondContact O-N 3.18Å; L435-S437 VanDerWaalsContact C-N 3.3Å; L435-S437 PolarHBondContact O-N 3.29Å; L435-I438 PolarHBondContact O-N 3.2Å; L435-I438 VanDerWaalsContact O-N 3.14Å; L435-H439 PolarHBondContact O-CD2 3.49Å; L435-H439 VanDerWaalsContact O-CD2 3.29Å; L435-H439 PolarHBondContact O-N 3.28Å |
| 436 | A | 97 | Very high | 94.7 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.1 | -39.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | H432 S433 N434 I438 H439 K440 A448 Y452 | H432-A436 WeakPolarHBondContact O-CB 3.19Å; H432-A436 PolarHBondContact O-N 2.94Å; S433-A436 WeakPolarHBondContact O-CB 3.45Å; S433-A436 PolarHBondContact O-N 3.21Å; N434-A436 VanDerWaalsContact C-N 3.33Å; N434-A436 PolarHBondContact O-N 2.84Å; A436-I438 VanDerWaalsContact C-N 3.34Å; A436-I438 PolarHBondContact O-N 3.2Å; A436-H439 PolarHBondContact O-N 3.18Å; A436-K440 WeakPolarHBondContact O-CB 3.19Å; A436-K440 PolarHBondContact O-N 2.57Å; A436-A448 WeakPolarHBondContact O-CB 3.39Å; A436-Y452 HydrophobicContact CB-CD1 3.53Å; A436-Y452 HydrophobicContact CB-CD2 3.59Å; A436-Y452 HydrophobicContact CB-CE1 3.49Å; A436-Y452 VanDerWaalsContact CB-CE1 3.49Å; A436-Y452 HydrophobicContact CB-CE2 3.55Å; A436-Y452 HydrophobicContact CB-CG 3.55Å; A436-Y452 VanDerWaalsContact CB-CZ 3.48Å |
| 437 | S | 94.2 | Very high | 94.7 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 11% | 0.105 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 174.8 | -177 | 0 | 0 | 0 | 0 | 111.8 | K406 S433 N434 L435 K440 D441 Y452 | K406-S437 PolarHBondContact NZ-OG 3.05Å; S433-S437 PolarHBondContact O-N 3.38Å; N434-S437 WeakPolarHBondContact O-CB 3.39Å; N434-S437 PolarHBondContact O-N 2.66Å; L435-S437 VanDerWaalsContact C-N 3.3Å; L435-S437 PolarHBondContact O-N 3.29Å; S437-K440 PolarHBondContact O-N 3.13Å; S437-D441 WeakPolarHBondContact O-CB 3.5Å; S437-D441 PolarHBondContact O-N 3.1Å; S437-D441 PolarHBondContact OG-OD2 3.29Å; S437-Y452 VanDerWaalsContact CA-OH 3.3Å; S437-Y452 WeakPolarHBondContact CA-OH 3.33Å; S437-Y452 PolarHBondContact N-OH 2.86Å |
| 438 | I | 93.2 | Very high | 94.8 | Very high | 5 Ų | 5 | 33.6 Ų | 33.6 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -44.7 | 177.1 | -65 | -61.7 | 0 | 0 | 0 | 110.9 | K406 V411 A414 L415 Y418 N434 L435 A436 K440 D441 S442 | K406-I438 HydrophobicContact CB-CD1 4.38Å; K406-I438 HydrophobicContact CD-CD1 3.78Å; K406-I438 HydrophobicContact CG-CD1 3.81Å; V411-I438 HydrophobicContact CG1-CD1 4.44Å; V411-I438 HydrophobicContact CG1-CG2 3.7Å; A414-I438 HydrophobicContact CB-CD1 4.3Å; L415-I438 HydrophobicContact CB-CG2 4.5Å; L415-I438 HydrophobicContact CD1-CB 4.45Å; L415-I438 HydrophobicContact CD1-CG2 3.72Å; Y418-I438 HydrophobicContact CD2-CG1 4.14Å; Y418-I438 HydrophobicContact CE2-CD1 4.42Å; Y418-I438 HydrophobicContact CE2-CG1 3.78Å; N434-I438 PolarHBondContact O-N 3.17Å; L435-I438 PolarHBondContact O-N 3.2Å; L435-I438 VanDerWaalsContact O-N 3.14Å; A436-I438 VanDerWaalsContact C-N 3.34Å; A436-I438 PolarHBondContact O-N 3.2Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.24Å; I438-D441 PolarHBondContact O-N 2.85Å; I438-S442 VanDerWaalsContact O-CB 3.3Å; I438-S442 WeakPolarHBondContact O-CB 3.2Å; I438-S442 PolarHBondContact O-N 3.39Å; I438-S442 PolarHBondContact O-OG 2.95Å |
| 439 | H | 94.5 | Very high | 94.9 | Very high | 36 Ų | 36 | 33.3 Ų | 33.3 | 17% | 0.167 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.9 | -78.3 | -64.5 | 0 | 0 | 0 | 111.8 | L435 A436 S442 G443 N444 E447 A448 | L435-H439 PolarHBondContact O-CD2 3.49Å; L435-H439 VanDerWaalsContact O-CD2 3.29Å; L435-H439 PolarHBondContact O-N 3.28Å; A436-H439 PolarHBondContact O-N 3.18Å; H439-S442 CarbonylContact O-C 3.21Å; H439-S442 PolarHBondContact O-N 3.04Å; H439-G443 PolarHBondContact O-N 3.41Å; H439-G443 VanDerWaalsContact O-N 3.16Å; H439-N444 HydrophobicContact CB-CB 4.12Å; H439-N444 WeakPolarHBondContact O-CA 3.13Å; H439-N444 PolarHBondContact O-N 2.8Å; H439-E447 HydrophobicContact CB-CB 4.2Å; H439-A448 HydrophobicContact CB-CB 3.84Å |
| 440 | K | 93.8 | Very high | 95 | Very high | 32 Ų | 32 | 35.5 Ų | 35.5 | 14% | 0.139 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58 | -52.3 | 176 | -177.6 | -167.7 | 72.2 | 177.6 | 0 | 111.2 | A436 S437 I438 S442 G443 I445 A448 N468 | A436-K440 WeakPolarHBondContact O-CB 3.19Å; A436-K440 PolarHBondContact O-N 2.57Å; S437-K440 PolarHBondContact O-N 3.13Å; I438-K440 VanDerWaalsContact C-N 3.33Å; I438-K440 PolarHBondContact O-N 3.24Å; K440-S442 PolarHBondContact O-N 3.08Å; K440-G443 PolarHBondContact O-N 2.94Å; K440-I445 HydrophobicContact CG-CD1 4.42Å; K440-A448 HydrophobicContact CB-CB 4Å; K440-N468 PolarHBondContact NZ-OD1 3.22Å |
| 441 | D | 87.5 | Confident | 95.1 | Very high | 95 Ų | 95 | 33.4 Ų | 33.4 | 51% | 0.508 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -68.2 | -22.3 | -176.3 | -60.7 | -20.4 | 0 | 0 | 0 | 112.1 | S437 I438 | S437-D441 WeakPolarHBondContact O-CB 3.5Å; S437-D441 PolarHBondContact O-N 3.1Å; S437-D441 PolarHBondContact OG-OD2 3.29Å; I438-D441 PolarHBondContact O-N 2.85Å |
| 442 | S | 88.9 | Confident | 95.2 | Very high | 63 Ų | 63 | 33.4 Ų | 33.4 | 44% | 0.441 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -3 | 173.7 | -53 | 0 | 0 | 0 | 0 | 113.9 | I438 H439 K440 | I438-S442 VanDerWaalsContact O-CB 3.3Å; I438-S442 WeakPolarHBondContact O-CB 3.2Å; I438-S442 PolarHBondContact O-N 3.39Å; I438-S442 PolarHBondContact O-OG 2.95Å; H439-S442 CarbonylContact O-C 3.21Å; H439-S442 PolarHBondContact O-N 3.04Å; K440-S442 PolarHBondContact O-N 3.08Å |
| 443 | G | 89.2 | Confident | 95.2 | Very high | 49 Ų | 49 | 38.4 Ų | 38.4 | 51% | 0.505 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 2.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | H439 K440 I445 | H439-G443 PolarHBondContact O-N 3.41Å; H439-G443 VanDerWaalsContact O-N 3.16Å; K440-G443 PolarHBondContact O-N 2.94Å; G443-I445 PolarHBondContact O-N 3.27Å |
| 444 | N | 94.4 | Very high | 95.3 | Very high | 77 Ų | 77 | 40.9 Ų | 40.9 | 41% | 0.412 | 24% | 0.235 | S | C | . | . | trans | -82.1 | 64.8 | 176.2 | -63.2 | -38.5 | 0 | 0 | 0 | 110.1 | H439 E447 A448 | H439-N444 HydrophobicContact CB-CB 4.12Å; H439-N444 WeakPolarHBondContact O-CA 3.13Å; H439-N444 PolarHBondContact O-N 2.8Å; N444-E447 HydrophobicContact CB-CB 4.37Å; N444-E447 WeakPolarHBondContact CB-OE2 3.32Å; N444-E447 PolarHBondContact O-N 3.16Å; N444-A448 PolarHBondContact O-N 3.28Å | ||
| 445 | I | 96.2 | Very high | 95.4 | Very high | 11 Ų | 11 | 39.1 Ų | 39.1 | 6% | 0.056 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.9 | -40.9 | -170.2 | -48.8 | -57.2 | 0 | 0 | 0 | 113.5 | K440 G443 E447 A448 I449 C472 I475 V476 | K440-I445 HydrophobicContact CG-CD1 4.42Å; G443-I445 PolarHBondContact O-N 3.27Å; I445-E447 PolarHBondContact O-N 3.41Å; I445-A448 WeakPolarHBondContact O-CB 3.08Å; I445-A448 PolarHBondContact O-N 3.21Å; I445-I449 HydrophobicContact CG2-CD1 4.01Å; I445-I449 HydrophobicContact CG2-CG1 4.37Å; I445-I449 WeakPolarHBondContact O-CG1 3.46Å; I445-I449 PolarHBondContact O-N 3.28Å; I445-C472 HydrophobicContact CG2-CB 3.99Å; I445-I475 HydrophobicContact CD1-CD1 4.34Å; I445-I475 HydrophobicContact CD1-CG2 4.44Å; I445-I475 HydrophobicContact CG1-CG2 4.06Å; I445-I475 HydrophobicContact CG2-CG2 4.31Å; I445-V476 HydrophobicContact CB-CG1 4.1Å; I445-V476 HydrophobicContact CG2-CG1 3.48Å; I445-V476 VanDerWaalsContact CG2-CG1 3.48Å |
| 446 | P | 97 | Very high | 95.5 | Very high | 60 Ų | 60 | 39.5 Ų | 39.5 | 39% | 0.39 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.2 | -43.4 | 176.7 | -25.1 | 35.8 | 0 | 0 | 0 | 113.3 | I449 A450 V881 | P446-I449 PolarHBondContact O-N 3.31Å; P446-A450 PolarHBondContact O-N 3Å; P446-V881 HydrophobicContact CG-CB 4.38Å; P446-V881 HydrophobicContact CG-CG1 3.84Å; P446-V881 HydrophobicContact CG-CG2 4.42Å |
| 447 | E | 96.3 | Very high | 95.5 | Very high | 90 Ų | 90 | 48.1 Ų | 48.1 | 42% | 0.421 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 176.5 | -66.5 | 73.5 | -166.4 | 0 | 0 | 110.5 | H439 N444 I445 I449 A450 S451 | H439-E447 HydrophobicContact CB-CB 4.2Å; N444-E447 HydrophobicContact CB-CB 4.37Å; N444-E447 WeakPolarHBondContact CB-OE2 3.32Å; N444-E447 PolarHBondContact O-N 3.16Å; I445-E447 PolarHBondContact O-N 3.41Å; E447-I449 VanDerWaalsContact C-N 3.34Å; E447-I449 PolarHBondContact O-N 3.12Å; E447-A450 PolarHBondContact O-N 3.44Å; E447-S451 PolarHBondContact O-N 3.17Å; E447-S451 PolarHBondContact O-OG 3.23Å |
| 448 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A436 H439 K440 N444 I445 A450 S451 Y452 | A436-A448 WeakPolarHBondContact O-CB 3.39Å; H439-A448 HydrophobicContact CB-CB 3.84Å; K440-A448 HydrophobicContact CB-CB 4Å; N444-A448 PolarHBondContact O-N 3.28Å; I445-A448 WeakPolarHBondContact O-CB 3.08Å; I445-A448 PolarHBondContact O-N 3.21Å; A448-A450 PolarHBondContact O-N 2.88Å; A448-S451 PolarHBondContact O-N 3.07Å; A448-Y452 HydrophobicContact CB-CE2 4.43Å; A448-Y452 WeakPolarHBondContact O-CB 3.44Å; A448-Y452 WeakPolarHBondContact O-CD2 3.21Å; A448-Y452 PolarHBondContact O-N 2.77Å |
| 449 | I | 98.3 | Very high | 95.8 | Very high | 16 Ų | 16 | 54.6 Ų | 54.6 | 8% | 0.082 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 177.2 | -70.8 | 166.7 | 0 | 0 | 0 | 110.7 | I445 P446 E447 Y452 R453 L469 C472 L473 V476 | I445-I449 HydrophobicContact CG2-CD1 4.01Å; I445-I449 HydrophobicContact CG2-CG1 4.37Å; I445-I449 WeakPolarHBondContact O-CG1 3.46Å; I445-I449 PolarHBondContact O-N 3.28Å; P446-I449 PolarHBondContact O-N 3.31Å; E447-I449 VanDerWaalsContact C-N 3.34Å; E447-I449 PolarHBondContact O-N 3.12Å; I449-Y452 PolarHBondContact O-N 2.97Å; I449-R453 HydrophobicContact CG2-CG 4.49Å; I449-R453 WeakPolarHBondContact O-CB 3.37Å; I449-R453 WeakPolarHBondContact O-CG 3.44Å; I449-R453 PolarHBondContact O-N 2.8Å; I449-L469 HydrophobicContact CB-CD1 4.29Å; I449-L469 HydrophobicContact CG1-CD1 4.21Å; I449-L469 HydrophobicContact CG2-CD1 3.96Å; I449-C472 HydrophobicContact CD1-CB 4.21Å; I449-C472 HydrophobicContact CG1-CB 3.61Å; I449-L473 HydrophobicContact CD1-CD2 4.13Å; I449-L473 HydrophobicContact CG1-CD2 4.44Å; I449-L473 HydrophobicContact CG2-CD2 4.31Å; I449-V476 HydrophobicContact CD1-CG1 4.25Å; I449-V476 HydrophobicContact CD1-CG2 3.84Å |
| 450 | A | 97.9 | Very high | 95.9 | Very high | 55 Ų | 55 | 57.5 Ų | 57.5 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.3 | -44.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P446 E447 A448 R453 T454 | P446-A450 PolarHBondContact O-N 3Å; E447-A450 PolarHBondContact O-N 3.44Å; A448-A450 PolarHBondContact O-N 2.88Å; A450-R453 PolarHBondContact O-N 3Å; A450-T454 PolarHBondContact O-N 3.4Å; A450-T454 PolarHBondContact O-OG1 3.46Å |
| 451 | S | 97.7 | Very high | 96 | Very high | 17 Ų | 17 | 62.2 Ų | 62.2 | 12% | 0.119 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 178.1 | -66.5 | 0 | 0 | 0 | 0 | 112.3 | E447 A448 T454 A455 | E447-S451 PolarHBondContact O-N 3.17Å; E447-S451 PolarHBondContact O-OG 3.23Å; A448-S451 PolarHBondContact O-N 3.07Å; S451-T454 WeakPolarHBondContact O-CB 3.4Å; S451-T454 PolarHBondContact O-N 3.27Å; S451-A455 PolarHBondContact O-N 3.33Å |
| 452 | Y | 98.5 | Very high | 96.4 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 0% | 0.004 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | 174.7 | -77.3 | -53.2 | 0 | 0 | 0 | 112.8 | A436 S437 A448 I449 T454 A455 L456 A465 N468 L469 | A436-Y452 HydrophobicContact CB-CD1 3.53Å; A436-Y452 HydrophobicContact CB-CD2 3.59Å; A436-Y452 HydrophobicContact CB-CE1 3.49Å; A436-Y452 VanDerWaalsContact CB-CE1 3.49Å; A436-Y452 HydrophobicContact CB-CE2 3.55Å; A436-Y452 HydrophobicContact CB-CG 3.55Å; A436-Y452 VanDerWaalsContact CB-CZ 3.48Å; S437-Y452 VanDerWaalsContact CA-OH 3.3Å; S437-Y452 WeakPolarHBondContact CA-OH 3.33Å; S437-Y452 PolarHBondContact N-OH 2.86Å; A448-Y452 HydrophobicContact CB-CE2 4.43Å; A448-Y452 WeakPolarHBondContact O-CB 3.44Å; A448-Y452 WeakPolarHBondContact O-CD2 3.21Å; A448-Y452 PolarHBondContact O-N 2.77Å; I449-Y452 PolarHBondContact O-N 2.97Å; Y452-T454 VanDerWaalsContact C-N 3.27Å; Y452-T454 PolarHBondContact O-N 3.25Å; Y452-A455 PolarHBondContact O-N 3.38Å; Y452-L456 WeakPolarHBondContact O-CG 3.35Å; Y452-L456 PolarHBondContact O-N 3Å; Y452-A465 HydrophobicContact CD1-CB 3.99Å; Y452-N468 HydrophobicContact CD1-CB 4.48Å; Y452-N468 HydrophobicContact CD2-CB 4.44Å; Y452-N468 HydrophobicContact CE1-CB 3.76Å; Y452-N468 HydrophobicContact CE2-CB 3.71Å; Y452-N468 WeakPolarHBondContact OH-CB 3.45Å; Y452-L469 HydrophobicContact CD2-CB 4.49Å; Y452-L469 HydrophobicContact CG-CB 4.32Å |
| 453 | R | 98.2 | Very high | 96.8 | Very high | 124 Ų | 124 | 57 Ų | 57 | 47% | 0.468 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.3 | -39.1 | 173.9 | -77.8 | 177.6 | 174.5 | 164.5 | 1.7 | 111.4 | I449 A450 L456 K457 L469 D478 | I449-R453 HydrophobicContact CG2-CG 4.49Å; I449-R453 WeakPolarHBondContact O-CB 3.37Å; I449-R453 WeakPolarHBondContact O-CG 3.44Å; I449-R453 PolarHBondContact O-N 2.8Å; A450-R453 PolarHBondContact O-N 3Å; R453-L456 PolarHBondContact O-N 3.49Å; R453-K457 WeakPolarHBondContact O-CB 3.36Å; R453-K457 PolarHBondContact O-N 2.92Å; R453-L469 HydrophobicContact CG-CD1 4.37Å; R453-L469 HydrophobicContact CG-CD2 4.06Å; R453-D478 IonicContact NH2-OD2 2.69Å |
| 454 | T | 98.1 | Very high | 97 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 36% | 0.356 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.2 | -45.4 | 175.9 | -56.3 | 0 | 0 | 0 | 0 | 111.3 | A450 S451 Y452 L456 K457 L458 | A450-T454 PolarHBondContact O-N 3.4Å; A450-T454 PolarHBondContact O-OG1 3.46Å; S451-T454 WeakPolarHBondContact O-CB 3.4Å; S451-T454 PolarHBondContact O-N 3.27Å; Y452-T454 VanDerWaalsContact C-N 3.27Å; Y452-T454 PolarHBondContact O-N 3.25Å; T454-L456 VanDerWaalsContact C-N 3.33Å; T454-L456 PolarHBondContact O-N 2.84Å; T454-K457 PolarHBondContact O-N 3.09Å; T454-L458 HydrophobicContact CG2-CD1 4.21Å; T454-L458 WeakPolarHBondContact O-CG 3.49Å; T454-L458 PolarHBondContact O-N 3.34Å |
| 455 | A | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.9 | -44.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | H432 S451 Y452 L458 K459 F462 A465 | H432-A455 HydrophobicContact CB-CB 3.88Å; S451-A455 PolarHBondContact O-N 3.33Å; Y452-A455 PolarHBondContact O-N 3.38Å; A455-L458 PolarHBondContact O-N 3.47Å; A455-K459 PolarHBondContact O-N 2.59Å; A455-F462 HydrophobicContact CB-CD1 4.41Å; A455-F462 HydrophobicContact CB-CE1 4.47Å; A455-A465 HydrophobicContact CB-CB 4.37Å |
| 456 | L | 97.9 | Very high | 97.3 | Very high | 25 Ų | 25 | 55.5 Ų | 55.5 | 13% | 0.131 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -71.4 | -28.4 | 178.7 | -72.3 | 165.8 | 0 | 0 | 0 | 113.5 | Y452 R453 T454 L458 K459 P460 F462 A465 Y466 L469 | Y452-L456 WeakPolarHBondContact O-CG 3.35Å; Y452-L456 PolarHBondContact O-N 3Å; R453-L456 PolarHBondContact O-N 3.49Å; T454-L456 VanDerWaalsContact C-N 3.33Å; T454-L456 PolarHBondContact O-N 2.84Å; L456-L458 VanDerWaalsContact C-N 3.35Å; L456-K459 WeakPolarHBondContact CA-O 3.17Å; L456-K459 CarbonylContact O-C 3.59Å; L456-K459 VanDerWaalsContact O-C 3.29Å; L456-P460 VanDerWaalsContact O-CA 3.28Å; L456-P460 WeakPolarHBondContact O-CA 3.29Å; L456-F462 HydrophobicContact CD2-CB 4.03Å; L456-A465 HydrophobicContact CD2-CB 4.14Å; L456-A465 HydrophobicContact CG-CB 4.11Å; L456-Y466 HydrophobicContact CD1-CD2 4.18Å; L456-Y466 HydrophobicContact CD2-CD2 4.42Å; L456-L469 HydrophobicContact CD1-CB 4.43Å; L456-L469 HydrophobicContact CD1-CD2 3.58Å |
| 457 | K | 98 | Very high | 97.3 | Very high | 181 Ų | 181 | 52.9 Ų | 52.9 | 79% | 0.787 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -67.2 | -38.8 | 171.7 | -174.8 | -179.4 | 178.7 | -177 | 0 | 111.3 | R453 T454 | R453-K457 WeakPolarHBondContact O-CB 3.36Å; R453-K457 PolarHBondContact O-N 2.92Å; T454-K457 PolarHBondContact O-N 3.09Å |
| 458 | L | 97.2 | Very high | 97.3 | Very high | 72 Ų | 72 | 50.1 Ų | 50.1 | 38% | 0.377 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -75.7 | -39.2 | 178.4 | -66.2 | 169.2 | 0 | 0 | 0 | 112 | A427 A429 T454 A455 L456 | A427-L458 HydrophobicContact CB-CD2 4.21Å; A429-L458 HydrophobicContact CB-CB 3.95Å; T454-L458 HydrophobicContact CG2-CD1 4.21Å; T454-L458 WeakPolarHBondContact O-CG 3.49Å; T454-L458 PolarHBondContact O-N 3.34Å; A455-L458 PolarHBondContact O-N 3.47Å; L456-L458 VanDerWaalsContact C-N 3.35Å |
| 459 | K | 97 | Very high | 97.3 | Very high | 85 Ų | 85 | 50.9 Ų | 50.9 | 37% | 0.37 | 27% | 0.265 | S | S | . | . | trans | -133.6 | 93.5 | 179.5 | -174 | -179 | 177.3 | -179 | 0 | 109.9 | A429 A455 L456 D461 F462 | A429-K459 HydrophobicContact CB-CB 3.74Å; A429-K459 HydrophobicContact CB-CD 4.45Å; A455-K459 PolarHBondContact O-N 2.59Å; L456-K459 WeakPolarHBondContact CA-O 3.17Å; L456-K459 CarbonylContact O-C 3.59Å; L456-K459 VanDerWaalsContact O-C 3.29Å; K459-D461 VanDerWaalsContact C-N 3.35Å; K459-D461 WeakPolarHBondContact CE-O 3.46Å; K459-D461 PolarHBondContact O-N 3.44Å; K459-F462 HydrophobicContact CB-CB 4.44Å; K459-F462 HydrophobicContact CB-CD1 4.37Å; K459-F462 HydrophobicContact CD-CB 4.17Å; K459-F462 HydrophobicContact CD-CD1 4.01Å; K459-F462 HydrophobicContact CD-CG 4.08Å; K459-F462 HydrophobicContact CG-CB 4.15Å; K459-F462 WeakPolarHBondContact O-CB 3.2Å | ||
| 460 | P | 96.2 | Very high | 97.3 | Very high | 97 Ų | 97 | 50.2 Ų | 50.2 | 63% | 0.63 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -63.4 | -34.5 | -177.2 | -27.1 | 36.3 | 0 | 0 | 0 | 114.8 | L456 F462 | L456-P460 VanDerWaalsContact O-CA 3.28Å; L456-P460 WeakPolarHBondContact O-CA 3.29Å; P460-F462 PolarHBondContact O-N 3.4Å |
| 461 | D | 94.7 | Very high | 97.3 | Very high | 131 Ų | 131 | 48.4 Ų | 48.4 | 70% | 0.701 | 24% | 0.244 | S | C | * | . | trans | -90.1 | 79.4 | 171.9 | -173.8 | 23.8 | 0 | 0 | 0 | 110.2 | K459 | K459-D461 VanDerWaalsContact C-N 3.35Å; K459-D461 WeakPolarHBondContact CE-O 3.46Å; K459-D461 PolarHBondContact O-N 3.44Å | ||
| 462 | F | 96.8 | Very high | 97.3 | Very high | 15 Ų | 15 | 47.6 Ų | 47.6 | 7% | 0.066 | 24% | 0.238 | C | C | . | . | trans | -136.9 | 81.1 | 177.9 | -161.4 | 173.9 | 0 | 0 | 0 | 111.3 | A429 D430 A455 L456 K459 P460 D464 A465 Y466 | A429-F462 HydrophobicContact CB-CE1 4.43Å; D430-F462 VanDerWaalsContact OD1-CZ 3.28Å; D430-F462 WeakPolarHBondContact OD1-CZ 3.42Å; A455-F462 HydrophobicContact CB-CD1 4.41Å; A455-F462 HydrophobicContact CB-CE1 4.47Å; L456-F462 HydrophobicContact CD2-CB 4.03Å; K459-F462 HydrophobicContact CB-CB 4.44Å; K459-F462 HydrophobicContact CB-CD1 4.37Å; K459-F462 HydrophobicContact CD-CB 4.17Å; K459-F462 HydrophobicContact CD-CD1 4.01Å; K459-F462 HydrophobicContact CD-CG 4.08Å; K459-F462 HydrophobicContact CG-CB 4.15Å; K459-F462 WeakPolarHBondContact O-CB 3.2Å; P460-F462 PolarHBondContact O-N 3.4Å; F462-D464 VanDerWaalsContact C-N 3.34Å; F462-D464 HydrophobicContact CD2-CB 4.35Å; F462-D464 HydrophobicContact CE2-CB 4.07Å; F462-D464 PolarHBondContact O-N 2.94Å; F462-A465 HydrophobicContact CB-CB 4.12Å; F462-A465 HydrophobicContact CD1-CB 3.63Å; F462-A465 HydrophobicContact CD2-CB 4.17Å; F462-A465 HydrophobicContact CE1-CB 4.1Å; F462-A465 HydrophobicContact CG-CB 3.69Å; F462-A465 PolarHBondContact O-N 2.92Å; F462-Y466 PolarHBondContact O-N 2.92Å | ||
| 463 | P | 96.6 | Very high | 97.3 | Very high | 34 Ų | 34 | 47.8 Ų | 47.8 | 22% | 0.221 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -49.2 | -45.3 | -177.3 | -35 | 40.1 | 0 | 0 | 0 | 115.5 | Y466 C467 I492 S504 | P463-Y466 PolarHBondContact O-N 3.48Å; P463-C467 PolarHBondContact O-N 3.16Å; P463-C467 PolarHBondContact O-SG 2.92Å; P463-I492 HydrophobicContact CB-CG2 3.7Å; P463-I492 HydrophobicContact CG-CG2 4.34Å; P463-S504 WeakPolarHBondContact CB-OG 3.12Å |
| 464 | D | 94.7 | Very high | 97.2 | Very high | 76 Ų | 76 | 41.9 Ų | 41.9 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.9 | -45.7 | -178.2 | -62.6 | -54.6 | 0 | 0 | 0 | 112 | F462 Y466 N468 S504 | F462-D464 VanDerWaalsContact C-N 3.34Å; F462-D464 HydrophobicContact CD2-CB 4.35Å; F462-D464 HydrophobicContact CE2-CB 4.07Å; F462-D464 PolarHBondContact O-N 2.94Å; D464-Y466 VanDerWaalsContact C-N 3.32Å; D464-Y466 PolarHBondContact O-N 3.36Å; D464-N468 WeakPolarHBondContact O-CB 3.46Å; D464-N468 PolarHBondContact O-N 3.49Å; D464-N468 VanDerWaalsContact O-N 3.1Å; D464-N468 PolarHBondContact O-ND2 2.96Å; D464-S504 WeakPolarHBondContact CA-OG 3.39Å; D464-S504 VanDerWaalsContact CG-OG 3.31Å; D464-S504 PolarHBondContact N-OG 3.39Å; D464-S504 VanDerWaalsContact OD1-CB 3.26Å; D464-S504 WeakPolarHBondContact OD1-CB 3.45Å; D464-S504 PolarHBondContact OD1-OG 3.05Å |
| 465 | A | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64.1 | -39.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y452 A455 L456 F462 L469 | Y452-A465 HydrophobicContact CD1-CB 3.99Å; A455-A465 HydrophobicContact CB-CB 4.37Å; L456-A465 HydrophobicContact CD2-CB 4.14Å; L456-A465 HydrophobicContact CG-CB 4.11Å; F462-A465 HydrophobicContact CB-CB 4.12Å; F462-A465 HydrophobicContact CD1-CB 3.63Å; F462-A465 HydrophobicContact CD2-CB 4.17Å; F462-A465 HydrophobicContact CE1-CB 4.1Å; F462-A465 HydrophobicContact CG-CB 3.69Å; F462-A465 PolarHBondContact O-N 2.92Å; A465-L469 VanDerWaalsContact O-CB 3.27Å; A465-L469 WeakPolarHBondContact O-CB 3.33Å; A465-L469 PolarHBondContact O-N 3.5Å |
| 466 | Y | 98.2 | Very high | 97.2 | Very high | 29 Ų | 29 | 40.7 Ų | 40.7 | 11% | 0.114 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.1 | -49.7 | 179.4 | -169.6 | -91.5 | 0 | 0 | 0 | 112.6 | L456 F462 P463 D464 N468 L469 A470 R485 K488 I492 | L456-Y466 HydrophobicContact CD1-CD2 4.18Å; L456-Y466 HydrophobicContact CD2-CD2 4.42Å; F462-Y466 PolarHBondContact O-N 2.92Å; P463-Y466 PolarHBondContact O-N 3.48Å; D464-Y466 VanDerWaalsContact C-N 3.32Å; D464-Y466 PolarHBondContact O-N 3.36Å; Y466-N468 PolarHBondContact O-N 3.41Å; Y466-L469 PolarHBondContact O-N 2.91Å; Y466-A470 WeakPolarHBondContact O-CB 3.23Å; Y466-A470 PolarHBondContact O-N 2.67Å; Y466-R485 HydrophobicContact CE1-CG 4.35Å; Y466-R485 WeakPolarHBondContact OH-CA 3.42Å; Y466-K488 HydrophobicContact CD1-CG 4.44Å; Y466-K488 HydrophobicContact CE1-CB 4.02Å; Y466-K488 HydrophobicContact CE1-CD 4Å; Y466-K488 HydrophobicContact CE1-CG 3.74Å; Y466-K488 HydrophobicContact CE2-CD 3.83Å; Y466-K488 HydrophobicContact CE2-CG 4.49Å; Y466-I492 HydrophobicContact CD1-CD1 3.46Å; Y466-I492 VanDerWaalsContact CD1-CD1 3.46Å; Y466-I492 HydrophobicContact CE1-CD1 4.11Å; Y466-I492 HydrophobicContact CG-CD1 3.99Å |
| 467 | C | 97.5 | Very high | 97.2 | Very high | 4 Ų | 4 | 39.5 Ų | 39.5 | 3% | 0.027 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.9 | -38.6 | -178.9 | -63.7 | 0 | 0 | 0 | 0 | 111.6 | P463 A470 H471 V505 | P463-C467 PolarHBondContact O-N 3.16Å; P463-C467 PolarHBondContact O-SG 2.92Å; C467-A470 PolarHBondContact O-N 2.98Å; C467-H471 PolarHBondContact O-N 2.95Å; C467-V505 HydrophobicContact CB-CG2 4.15Å |
| 468 | N | 97.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 32 Ų | 32 | 17% | 0.171 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.5 | -38 | 174.9 | -77.2 | -67.8 | 0 | 0 | 0 | 112.5 | K440 Y452 D464 Y466 H471 C472 | K440-N468 PolarHBondContact NZ-OD1 3.22Å; Y452-N468 HydrophobicContact CD1-CB 4.48Å; Y452-N468 HydrophobicContact CD2-CB 4.44Å; Y452-N468 HydrophobicContact CE1-CB 3.76Å; Y452-N468 HydrophobicContact CE2-CB 3.71Å; Y452-N468 WeakPolarHBondContact OH-CB 3.45Å; D464-N468 WeakPolarHBondContact O-CB 3.46Å; D464-N468 PolarHBondContact O-N 3.49Å; D464-N468 VanDerWaalsContact O-N 3.1Å; D464-N468 PolarHBondContact O-ND2 2.96Å; Y466-N468 PolarHBondContact O-N 3.41Å; N468-H471 WeakPolarHBondContact O-CB 3.42Å; N468-H471 PolarHBondContact O-N 2.9Å; N468-C472 PolarHBondContact O-N 3.22Å; N468-C472 PolarHBondContact O-SG 2.94Å; N468-C472 VanDerWaalsContact O-SG 3.37Å |
| 469 | L | 97.9 | Very high | 97.2 | Very high | 17 Ų | 17 | 29.3 Ų | 29.3 | 9% | 0.089 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.3 | -47.1 | 171.4 | 176.4 | 59 | 0 | 0 | 0 | 111 | I449 Y452 R453 L456 A465 Y466 H471 C472 L473 | I449-L469 HydrophobicContact CB-CD1 4.29Å; I449-L469 HydrophobicContact CG1-CD1 4.21Å; I449-L469 HydrophobicContact CG2-CD1 3.96Å; Y452-L469 HydrophobicContact CD2-CB 4.49Å; Y452-L469 HydrophobicContact CG-CB 4.32Å; R453-L469 HydrophobicContact CG-CD1 4.37Å; R453-L469 HydrophobicContact CG-CD2 4.06Å; L456-L469 HydrophobicContact CD1-CB 4.43Å; L456-L469 HydrophobicContact CD1-CD2 3.58Å; A465-L469 VanDerWaalsContact O-CB 3.27Å; A465-L469 WeakPolarHBondContact O-CB 3.33Å; A465-L469 PolarHBondContact O-N 3.5Å; Y466-L469 PolarHBondContact O-N 2.91Å; L469-H471 PolarHBondContact O-N 3.32Å; L469-C472 PolarHBondContact O-N 2.98Å; L469-C472 VanDerWaalsContact O-N 3.08Å; L469-L473 HydrophobicContact CD1-CD1 4.12Å; L469-L473 HydrophobicContact CD1-CD2 4.35Å; L469-L473 HydrophobicContact CD1-CG 3.98Å; L469-L473 HydrophobicContact CG-CD1 3.95Å; L469-L473 HydrophobicContact CG-CG 4.27Å; L469-L473 WeakPolarHBondContact O-CG 3.27Å; L469-L473 PolarHBondContact O-N 3.31Å |
| 470 | A | 97.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -37.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y466 C467 Q474 R485 L489 | Y466-A470 WeakPolarHBondContact O-CB 3.23Å; Y466-A470 PolarHBondContact O-N 2.67Å; C467-A470 PolarHBondContact O-N 2.98Å; A470-Q474 WeakPolarHBondContact O-CB 3.28Å; A470-Q474 PolarHBondContact O-N 3.34Å; A470-R485 HydrophobicContact CB-CG 3.96Å; A470-L489 HydrophobicContact CB-CD1 3.98Å |
| 471 | H | 97.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 28.5 Ų | 28.5 | 8% | 0.079 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.5 | -45.1 | 172.9 | -169.4 | 67.3 | 0 | 0 | 0 | 112.9 | C467 N468 L469 L473 Q474 I475 H509 Y513 | C467-H471 PolarHBondContact O-N 2.95Å; N468-H471 WeakPolarHBondContact O-CB 3.42Å; N468-H471 PolarHBondContact O-N 2.9Å; L469-H471 PolarHBondContact O-N 3.32Å; H471-L473 VanDerWaalsContact C-N 3.32Å; H471-L473 PolarHBondContact O-N 3.36Å; H471-Q474 WeakPolarHBondContact O-CB 3.35Å; H471-Q474 PolarHBondContact O-N 3.29Å; H471-Q474 VanDerWaalsContact O-N 3.16Å; H471-I475 WeakPolarHBondContact O-CG1 3.49Å; H471-I475 PolarHBondContact O-N 3.26Å; H471-H509 AromaticContact CD2-CE1 3.72Å; H471-H509 AromaticContact CD2-ND1 3.94Å; H471-H509 AromaticContact CE1-CD2 3.44Å; H471-H509 PolarHBondContact CE1-CD2 3.03Å; H471-H509 VanDerWaalsContact CE1-CD2 3.44Å; H471-H509 AromaticContact CE1-CE1 3.86Å; H471-H509 AromaticContact CE1-CG 3.58Å; H471-H509 AromaticContact CE1-ND1 3.82Å; H471-H509 AromaticContact CE1-NE2 3.67Å; H471-H509 AromaticContact CG-ND1 3.76Å; H471-H509 AromaticContact ND1-CD2 3.95Å; H471-H509 AromaticContact ND1-CG 3.59Å; H471-H509 AromaticContact ND1-ND1 3.68Å; H471-H509 AromaticContact NE2-CD2 3.8Å; H471-H509 AromaticContact NE2-CE1 3.61Å; H471-H509 AromaticContact NE2-ND1 3.97Å; H471-H509 AromaticContact NE2-NE2 3.52Å; H471-Y513 WeakPolarHBondContact CA-OH 3.33Å; H471-Y513 VanDerWaalsContact CB-OH 3.32Å; H471-Y513 WeakPolarHBondContact CB-OH 3.44Å; H471-Y513 PolarHBondContact ND1-OH 3.04Å; H471-Y513 VanDerWaalsContact ND1-OH 3.13Å |
| 472 | C | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.5 | -67.6 | 0 | 0 | 0 | 0 | 112.3 | I445 I449 N468 L469 Q474 I475 V476 | I445-C472 HydrophobicContact CG2-CB 3.99Å; I449-C472 HydrophobicContact CD1-CB 4.21Å; I449-C472 HydrophobicContact CG1-CB 3.61Å; N468-C472 PolarHBondContact O-N 3.22Å; N468-C472 PolarHBondContact O-SG 2.94Å; N468-C472 VanDerWaalsContact O-SG 3.37Å; L469-C472 PolarHBondContact O-N 2.98Å; L469-C472 VanDerWaalsContact O-N 3.08Å; C472-Q474 VanDerWaalsContact C-N 3.34Å; C472-I475 WeakPolarHBondContact O-CB 3.45Å; C472-I475 PolarHBondContact O-N 3.37Å; C472-V476 PolarHBondContact O-N 2.88Å; C472-V476 VanDerWaalsContact O-N 3.17Å |
| 473 | L | 98.3 | Very high | 97.3 | Very high | 6 Ų | 6 | 28.4 Ų | 28.4 | 3% | 0.031 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.2 | -37.8 | 175.2 | -65 | 173 | 0 | 0 | 0 | 111.5 | I449 L469 H471 V476 C477 D478 | I449-L473 HydrophobicContact CD1-CD2 4.13Å; I449-L473 HydrophobicContact CG1-CD2 4.44Å; I449-L473 HydrophobicContact CG2-CD2 4.31Å; L469-L473 HydrophobicContact CD1-CD1 4.12Å; L469-L473 HydrophobicContact CD1-CD2 4.35Å; L469-L473 HydrophobicContact CD1-CG 3.98Å; L469-L473 HydrophobicContact CG-CD1 3.95Å; L469-L473 HydrophobicContact CG-CG 4.27Å; L469-L473 WeakPolarHBondContact O-CG 3.27Å; L469-L473 PolarHBondContact O-N 3.31Å; H471-L473 VanDerWaalsContact C-N 3.32Å; H471-L473 PolarHBondContact O-N 3.36Å; L473-V476 PolarHBondContact O-N 3.4Å; L473-C477 PolarHBondContact O-N 3.02Å; L473-D478 HydrophobicContact CB-CB 4.26Å; L473-D478 HydrophobicContact CD2-CB 3.76Å; L473-D478 PolarHBondContact O-N 3.27Å |
| 474 | Q | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -61.7 | -42.7 | 171.8 | -176.1 | 60.7 | 35.1 | 0 | 0 | 111.7 | A470 H471 C472 V476 C477 Y851 I853 | A470-Q474 WeakPolarHBondContact O-CB 3.28Å; A470-Q474 PolarHBondContact O-N 3.34Å; H471-Q474 WeakPolarHBondContact O-CB 3.35Å; H471-Q474 PolarHBondContact O-N 3.29Å; H471-Q474 VanDerWaalsContact O-N 3.16Å; C472-Q474 VanDerWaalsContact C-N 3.34Å; Q474-V476 VanDerWaalsContact C-N 3.33Å; Q474-V476 PolarHBondContact O-N 3.22Å; Q474-C477 PolarHBondContact O-N 3.28Å; Q474-Y851 PolarHBondContact NE2-O 3.01Å; Q474-I853 PolarHBondContact NE2-O 3.29Å |
| 475 | I | 96.9 | Very high | 97.5 | Very high | 25 Ų | 25 | 30.1 Ų | 30.1 | 13% | 0.128 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.7 | -41.4 | 178.8 | -72.8 | 167.4 | 0 | 0 | 0 | 112.2 | I445 H471 C472 C477 P879 | I445-I475 HydrophobicContact CD1-CD1 4.34Å; I445-I475 HydrophobicContact CD1-CG2 4.44Å; I445-I475 HydrophobicContact CG1-CG2 4.06Å; I445-I475 HydrophobicContact CG2-CG2 4.31Å; H471-I475 WeakPolarHBondContact O-CG1 3.49Å; H471-I475 PolarHBondContact O-N 3.26Å; C472-I475 WeakPolarHBondContact O-CB 3.45Å; C472-I475 PolarHBondContact O-N 3.37Å; I475-C477 VanDerWaalsContact C-N 3.34Å; I475-P879 HydrophobicContact CG2-CG 3.63Å; I475-P879 WeakPolarHBondContact O-CD 3.36Å |
| 476 | V | 97.7 | Very high | 97.5 | Very high | 8 Ų | 8 | 30.4 Ų | 30.4 | 5% | 0.048 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 6.9 | -179.2 | -52 | 0 | 0 | 0 | 0 | 113.1 | I445 I449 C472 L473 Q474 D478 V881 G882 N885 | I445-V476 HydrophobicContact CB-CG1 4.1Å; I445-V476 HydrophobicContact CG2-CG1 3.48Å; I445-V476 VanDerWaalsContact CG2-CG1 3.48Å; I449-V476 HydrophobicContact CD1-CG1 4.25Å; I449-V476 HydrophobicContact CD1-CG2 3.84Å; C472-V476 PolarHBondContact O-N 2.88Å; C472-V476 VanDerWaalsContact O-N 3.17Å; L473-V476 PolarHBondContact O-N 3.4Å; Q474-V476 VanDerWaalsContact C-N 3.33Å; Q474-V476 PolarHBondContact O-N 3.22Å; V476-D478 HydrophobicContact CG2-CB 3.96Å; V476-D478 PolarHBondContact O-N 3.02Å; V476-V881 HydrophobicContact CB-CG2 4.33Å; V476-V881 HydrophobicContact CG1-CG2 3.57Å; V476-G882 VanDerWaalsContact O-CA 3.31Å; V476-G882 WeakPolarHBondContact O-CA 3.1Å; V476-N885 PolarHBondContact O-ND2 3.28Å |
| 477 | C | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 35.6 | -176.6 | -52.6 | 0 | 0 | 0 | 0 | 113.9 | L473 Q474 I475 W479 L850 N885 I886 Y889 | L473-C477 PolarHBondContact O-N 3.02Å; Q474-C477 PolarHBondContact O-N 3.28Å; I475-C477 VanDerWaalsContact C-N 3.34Å; C477-W479 HydrophobicContact CB-CZ2 3.87Å; C477-W479 PolarHBondContact O-N 3Å; C477-L850 PolarHBondContact SG-O 2.94Å; C477-N885 HydrophobicContact CB-CB 4.38Å; C477-N885 WeakPolarHBondContact O-CB 3.35Å; C477-I886 HydrophobicContact CB-CD1 3.74Å; C477-I886 HydrophobicContact CB-CG1 3.99Å; C477-Y889 VanDerWaalsContact O-CE2 3.26Å; C477-Y889 WeakPolarHBondContact O-CE2 3.38Å |
| 478 | D | 98.1 | Very high | 97.5 | Very high | 23 Ų | 23 | 41 Ų | 41 | 12% | 0.123 | 20% | 0.203 | C | C | . | . | trans | -82 | 110 | 169.2 | -176.4 | -18.7 | 0 | 0 | 0 | 109.2 | R453 L473 V476 T480 R485 | R453-D478 IonicContact NH2-OD2 2.69Å; L473-D478 HydrophobicContact CB-CB 4.26Å; L473-D478 HydrophobicContact CD2-CB 3.76Å; L473-D478 PolarHBondContact O-N 3.27Å; V476-D478 HydrophobicContact CG2-CB 3.96Å; V476-D478 PolarHBondContact O-N 3.02Å; D478-T480 WeakPolarHBondContact OD1-CB 3.16Å; D478-T480 VanDerWaalsContact OD1-CG2 3.31Å; D478-T480 WeakPolarHBondContact OD1-CG2 3.46Å; D478-T480 PolarHBondContact OD1-N 2.89Å; D478-T480 VanDerWaalsContact OD1-N 3.07Å; D478-T480 PolarHBondContact OD1-OG1 3.31Å; D478-R485 PolarHBondContact O-NH1 3.06Å; D478-R485 PolarHBondContact O-NH2 2.95Å | ||
| 479 | W | 97.8 | Very high | 97.6 | Very high | 15 Ų | 15 | 39.5 Ų | 39.5 | 6% | 0.057 | 19% | 0.194 | C | C | . | . | trans | -113.6 | 19.4 | -175.5 | -52.6 | -32.5 | 0 | 0 | 0 | 112.7 | C477 D481 Y482 I853 P855 L858 I886 Y889 | C477-W479 HydrophobicContact CB-CZ2 3.87Å; C477-W479 PolarHBondContact O-N 3Å; W479-D481 VanDerWaalsContact C-N 3.31Å; W479-D481 PolarHBondContact O-N 3.44Å; W479-Y482 HydrophobicContact CB-CD2 4.3Å; W479-Y482 AromaticContact CD1-CD2 3.67Å; W479-Y482 HydrophobicContact CG-CD2 4.15Å; W479-Y482 PolarHBondContact O-N 3.05Å; W479-I853 HydrophobicContact CH2-CG2 3.94Å; W479-I853 HydrophobicContact CZ2-CG2 4.05Å; W479-P855 HydrophobicContact CB-CG 4.02Å; W479-P855 HydrophobicContact CD2-CB 4.45Å; W479-P855 HydrophobicContact CD2-CG 3.64Å; W479-P855 HydrophobicContact CE3-CB 4.16Å; W479-P855 HydrophobicContact CE3-CG 3.84Å; W479-P855 HydrophobicContact CG-CG 3.73Å; W479-L858 HydrophobicContact CH2-CB 3.81Å; W479-L858 HydrophobicContact CH2-CD2 3.85Å; W479-L858 HydrophobicContact CH2-CG 4.45Å; W479-L858 HydrophobicContact CZ3-CB 3.98Å; W479-L858 HydrophobicContact CZ3-CD2 3.59Å; W479-L858 HydrophobicContact CZ3-CG 4.43Å; W479-I886 HydrophobicContact CH2-CD1 3.62Å; W479-I886 HydrophobicContact CZ2-CD1 3.98Å; W479-I886 HydrophobicContact CZ3-CD1 4.44Å; W479-Y889 VanDerWaalsContact CA-OH 3.29Å; W479-Y889 WeakPolarHBondContact CA-OH 3.34Å; W479-Y889 HydrophobicContact CB-CE1 4.08Å; W479-Y889 HydrophobicContact CB-CE2 4Å; W479-Y889 HydrophobicContact CD2-CD2 4.07Å; W479-Y889 HydrophobicContact CD2-CE2 4.03Å; W479-Y889 AromaticContact CE3-CD1 3.96Å; W479-Y889 HydrophobicContact CE3-CD1 3.96Å; W479-Y889 AromaticContact CE3-CD2 3.4Å; W479-Y889 HydrophobicContact CE3-CD2 3.4Å; W479-Y889 HydrophobicContact CE3-CE1 4.26Å; W479-Y889 AromaticContact CE3-CE2 3.78Å; W479-Y889 HydrophobicContact CE3-CE2 3.78Å; W479-Y889 AromaticContact CE3-CG 3.55Å; W479-Y889 HydrophobicContact CE3-CG 3.55Å; W479-Y889 HydrophobicContact CG-CE2 4.16Å; W479-Y889 AromaticContact CZ3-CD2 3.83Å; W479-Y889 HydrophobicContact CZ3-CD2 3.83Å; W479-Y889 AromaticContact CZ3-CG 3.87Å; W479-Y889 HydrophobicContact CZ3-CG 3.87Å; W479-Y889 PolarHBondContact N-OH 3.14Å | ||
| 480 | T | 96.3 | Very high | 97.6 | Very high | 106 Ų | 106 | 40.3 Ų | 40.3 | 65% | 0.65 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55 | -40.3 | -175.1 | 44.8 | 0 | 0 | 0 | 0 | 113.9 | D478 Y889 | D478-T480 WeakPolarHBondContact OD1-CB 3.16Å; D478-T480 VanDerWaalsContact OD1-CG2 3.31Å; D478-T480 WeakPolarHBondContact OD1-CG2 3.46Å; D478-T480 PolarHBondContact OD1-N 2.89Å; D478-T480 VanDerWaalsContact OD1-N 3.07Å; D478-T480 PolarHBondContact OD1-OG1 3.31Å; T480-Y889 PolarHBondContact N-OH 3.09Å |
| 481 | D | 96.3 | Very high | 97.6 | Very high | 59 Ų | 59 | 44 Ų | 44 | 32% | 0.316 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 32.8 | 176.2 | 65.8 | -34.3 | 0 | 0 | 0 | 112.7 | W479 D483 E484 R485 | W479-D481 VanDerWaalsContact C-N 3.31Å; W479-D481 PolarHBondContact O-N 3.44Å; D481-D483 PolarHBondContact O-N 3.45Å; D481-E484 PolarHBondContact O-N 3.15Å; D481-R485 WeakPolarHBondContact O-CB 3.48Å; D481-R485 PolarHBondContact O-N 3.28Å; D481-R485 IonicContact OD1-CZ 2.75Å; D481-R485 IonicContact OD1-NH1 3.68Å; D481-R485 PolarHBondContact OD1-NH1 3Å |
| 482 | Y | 97.4 | Very high | 97.6 | Very high | 28 Ų | 28 | 44.3 Ų | 44.3 | 11% | 0.11 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -50.9 | -54.6 | -168 | -171.9 | -90.4 | 0 | 0 | 0 | 114.2 | W479 R485 M486 P855 | W479-Y482 HydrophobicContact CB-CD2 4.3Å; W479-Y482 AromaticContact CD1-CD2 3.67Å; W479-Y482 HydrophobicContact CG-CD2 4.15Å; W479-Y482 PolarHBondContact O-N 3.05Å; Y482-R485 PolarHBondContact O-N 3.04Å; Y482-M486 HydrophobicContact CD1-CG 4.12Å; Y482-M486 HydrophobicContact CD2-CE 3.88Å; Y482-M486 HydrophobicContact CE1-CE 4.38Å; Y482-M486 HydrophobicContact CE1-CG 3.83Å; Y482-M486 HydrophobicContact CE2-CE 3.42Å; Y482-M486 VanDerWaalsContact CE2-CE 3.42Å; Y482-M486 VanDerWaalsContact O-CG 3.28Å; Y482-M486 WeakPolarHBondContact O-CG 3.46Å; Y482-M486 PolarHBondContact O-N 3.27Å; Y482-P855 HydrophobicContact CD1-CG 4.02Å; Y482-P855 HydrophobicContact CD2-CG 4.02Å; Y482-P855 HydrophobicContact CE1-CG 4.29Å; Y482-P855 HydrophobicContact CE2-CG 4.28Å; Y482-P855 HydrophobicContact CG-CG 3.89Å |
| 483 | D | 96.8 | Very high | 97.6 | Very high | 116 Ų | 116 | 44.3 Ų | 44.3 | 62% | 0.62 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -66.3 | -42.3 | -174.4 | -67.9 | -37.3 | 0 | 0 | 0 | 112.8 | D481 R485 M486 K487 | D481-D483 PolarHBondContact O-N 3.45Å; D483-R485 VanDerWaalsContact C-N 3.35Å; D483-M486 PolarHBondContact O-N 3.29Å; D483-K487 WeakPolarHBondContact O-CG 3.46Å; D483-K487 PolarHBondContact O-N 2.87Å |
| 484 | E | 98 | Very high | 97.6 | Very high | 143 Ų | 143 | 45.5 Ų | 45.5 | 67% | 0.668 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -65.1 | -42.7 | 177.3 | -67.6 | 171.6 | 175.8 | 0 | 0 | 110.6 | D481 K487 K488 | D481-E484 PolarHBondContact O-N 3.15Å; E484-K487 PolarHBondContact O-N 3.24Å; E484-K488 WeakPolarHBondContact O-CB 3.32Å; E484-K488 PolarHBondContact O-N 3.5Å |
| 485 | R | 97.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 1% | 0.011 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.6 | -175.5 | 173 | 70.5 | -124.7 | 8.7 | 112.5 | Y466 A470 D478 D481 Y482 D483 K488 L489 | Y466-R485 HydrophobicContact CE1-CG 4.35Å; Y466-R485 WeakPolarHBondContact OH-CA 3.42Å; A470-R485 HydrophobicContact CB-CG 3.96Å; D478-R485 PolarHBondContact O-NH1 3.06Å; D478-R485 PolarHBondContact O-NH2 2.95Å; D481-R485 WeakPolarHBondContact O-CB 3.48Å; D481-R485 PolarHBondContact O-N 3.28Å; D481-R485 IonicContact OD1-CZ 2.75Å; D481-R485 IonicContact OD1-NH1 3.68Å; D481-R485 PolarHBondContact OD1-NH1 3Å; Y482-R485 PolarHBondContact O-N 3.04Å; D483-R485 VanDerWaalsContact C-N 3.35Å; R485-K488 PolarHBondContact O-N 3Å; R485-L489 WeakPolarHBondContact O-CB 3.34Å; R485-L489 PolarHBondContact O-N 2.87Å |
| 486 | M | 97.8 | Very high | 97.5 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -43.8 | 176.7 | -67 | -50.6 | 158.1 | 0 | 0 | 111.6 | Y482 D483 K488 L489 V490 Y513 P514 | Y482-M486 HydrophobicContact CD1-CG 4.12Å; Y482-M486 HydrophobicContact CD2-CE 3.88Å; Y482-M486 HydrophobicContact CE1-CE 4.38Å; Y482-M486 HydrophobicContact CE1-CG 3.83Å; Y482-M486 HydrophobicContact CE2-CE 3.42Å; Y482-M486 VanDerWaalsContact CE2-CE 3.42Å; Y482-M486 VanDerWaalsContact O-CG 3.28Å; Y482-M486 WeakPolarHBondContact O-CG 3.46Å; Y482-M486 PolarHBondContact O-N 3.27Å; D483-M486 PolarHBondContact O-N 3.29Å; M486-K488 VanDerWaalsContact C-N 3.34Å; M486-K488 PolarHBondContact O-N 3.02Å; M486-L489 PolarHBondContact O-N 3.16Å; M486-V490 WeakPolarHBondContact O-CG2 3.32Å; M486-V490 PolarHBondContact O-N 3.37Å; M486-Y513 HydrophobicContact CE-CD1 4.23Å; M486-Y513 HydrophobicContact CE-CE1 4.41Å; M486-Y513 HydrophobicContact SD-CD1 3.75Å; M486-Y513 HydrophobicContact SD-CE1 4.41Å; M486-P514 HydrophobicContact CB-CG 3.89Å; M486-P514 HydrophobicContact CG-CG 4.39Å |
| 487 | K | 98 | Very high | 97.4 | Very high | 155 Ų | 155 | 48.6 Ų | 48.6 | 67% | 0.674 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -58.2 | -44.8 | 174.9 | -74.2 | 172.8 | -175.6 | 173 | 0 | 112 | D483 E484 V490 S491 | D483-K487 WeakPolarHBondContact O-CG 3.46Å; D483-K487 PolarHBondContact O-N 2.87Å; E484-K487 PolarHBondContact O-N 3.24Å; K487-V490 PolarHBondContact O-N 2.89Å; K487-S491 PolarHBondContact O-N 2.98Å |
| 488 | K | 97.8 | Very high | 97.2 | Very high | 100 Ų | 100 | 56.6 Ų | 56.6 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66 | -41.2 | 177.9 | -178.1 | 164.9 | 171.2 | -177.4 | 0 | 112.1 | Y466 E484 R485 M486 V490 S491 I492 | Y466-K488 HydrophobicContact CD1-CG 4.44Å; Y466-K488 HydrophobicContact CE1-CB 4.02Å; Y466-K488 HydrophobicContact CE1-CD 4Å; Y466-K488 HydrophobicContact CE1-CG 3.74Å; Y466-K488 HydrophobicContact CE2-CD 3.83Å; Y466-K488 HydrophobicContact CE2-CG 4.49Å; E484-K488 WeakPolarHBondContact O-CB 3.32Å; E484-K488 PolarHBondContact O-N 3.5Å; R485-K488 PolarHBondContact O-N 3Å; M486-K488 VanDerWaalsContact C-N 3.34Å; M486-K488 PolarHBondContact O-N 3.02Å; K488-V490 PolarHBondContact O-N 2.85Å; K488-S491 WeakPolarHBondContact O-CB 3.22Å; K488-S491 PolarHBondContact O-N 2.8Å; K488-I492 HydrophobicContact CG-CD1 4.07Å; K488-I492 WeakPolarHBondContact O-CG1 3.47Å; K488-I492 PolarHBondContact O-N 3.37Å |
| 489 | L | 97.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.5 | -45.4 | 175.3 | -177.8 | 155.7 | 0 | 0 | 0 | 111.5 | A470 R485 M486 S491 I492 V493 V505 Y513 L515 | A470-L489 HydrophobicContact CB-CD1 3.98Å; R485-L489 WeakPolarHBondContact O-CB 3.34Å; R485-L489 PolarHBondContact O-N 2.87Å; M486-L489 PolarHBondContact O-N 3.16Å; L489-S491 VanDerWaalsContact C-N 3.34Å; L489-S491 PolarHBondContact O-N 3.39Å; L489-I492 PolarHBondContact O-N 2.94Å; L489-V493 HydrophobicContact CD2-CG2 4.36Å; L489-V493 WeakPolarHBondContact O-CG2 3.44Å; L489-V493 PolarHBondContact O-N 3.1Å; L489-V493 VanDerWaalsContact O-N 3.09Å; L489-V505 HydrophobicContact CD1-CG2 4.31Å; L489-V505 HydrophobicContact CD2-CG2 3.82Å; L489-V505 HydrophobicContact CG-CG2 4.03Å; L489-Y513 HydrophobicContact CD1-CD1 4.06Å; L489-Y513 HydrophobicContact CD1-CD2 4.04Å; L489-Y513 HydrophobicContact CD1-CE1 4.05Å; L489-Y513 HydrophobicContact CD1-CE2 4.03Å; L489-Y513 HydrophobicContact CD1-CG 4.07Å; L489-Y513 HydrophobicContact CD2-CD2 3.95Å; L489-Y513 HydrophobicContact CD2-CG 3.95Å; L489-L515 HydrophobicContact CD2-CD2 4.36Å |
| 490 | V | 98.1 | Very high | 96.5 | Very high | 34 Ų | 34 | 65.4 Ų | 65.4 | 21% | 0.206 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -41.9 | 176.4 | 176.7 | 0 | 0 | 0 | 0 | 111.5 | M486 K487 K488 V493 A494 P514 L515 F519 | M486-V490 WeakPolarHBondContact O-CG2 3.32Å; M486-V490 PolarHBondContact O-N 3.37Å; K487-V490 PolarHBondContact O-N 2.89Å; K488-V490 PolarHBondContact O-N 2.85Å; V490-V493 PolarHBondContact O-N 3.49Å; V490-A494 PolarHBondContact O-N 3.27Å; V490-P514 HydrophobicContact CG2-CG 4.28Å; V490-L515 HydrophobicContact CB-CD2 4.37Å; V490-L515 HydrophobicContact CG1-CD2 4.39Å; V490-L515 HydrophobicContact CG2-CD2 3.89Å; V490-F519 HydrophobicContact CG1-CD2 4.48Å; V490-F519 HydrophobicContact CG1-CE2 4.12Å |
| 491 | S | 98 | Very high | 96 | Very high | 79 Ų | 79 | 67.9 Ų | 67.9 | 55% | 0.552 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.2 | -43.7 | 176.4 | 179.3 | 0 | 0 | 0 | 0 | 112.5 | K487 K488 L489 V493 A494 D495 | K487-S491 PolarHBondContact O-N 2.98Å; K488-S491 WeakPolarHBondContact O-CB 3.22Å; K488-S491 PolarHBondContact O-N 2.8Å; L489-S491 VanDerWaalsContact C-N 3.34Å; L489-S491 PolarHBondContact O-N 3.39Å; S491-V493 PolarHBondContact O-N 3.26Å; S491-A494 PolarHBondContact O-N 2.97Å; S491-D495 PolarHBondContact O-N 3.49Å |
| 492 | I | 97.7 | Very high | 95.7 | Very high | 23 Ų | 23 | 69 Ų | 69 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59 | -47.4 | 175.9 | -72.4 | 165.4 | 0 | 0 | 0 | 111.1 | P463 Y466 K488 L489 A494 D495 Q496 | P463-I492 HydrophobicContact CB-CG2 3.7Å; P463-I492 HydrophobicContact CG-CG2 4.34Å; Y466-I492 HydrophobicContact CD1-CD1 3.46Å; Y466-I492 VanDerWaalsContact CD1-CD1 3.46Å; Y466-I492 HydrophobicContact CE1-CD1 4.11Å; Y466-I492 HydrophobicContact CG-CD1 3.99Å; K488-I492 HydrophobicContact CG-CD1 4.07Å; K488-I492 WeakPolarHBondContact O-CG1 3.47Å; K488-I492 PolarHBondContact O-N 3.37Å; L489-I492 PolarHBondContact O-N 2.94Å; I492-A494 VanDerWaalsContact C-N 3.34Å; I492-A494 PolarHBondContact O-N 3.32Å; I492-D495 PolarHBondContact O-N 3.23Å; I492-Q496 HydrophobicContact CG2-CG 4.46Å; I492-Q496 WeakPolarHBondContact O-CB 3.23Å; I492-Q496 VanDerWaalsContact O-CG 3.29Å; I492-Q496 WeakPolarHBondContact O-CG 3.19Å; I492-Q496 PolarHBondContact O-N 2.66Å |
| 493 | V | 97.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 179 | 169.9 | 0 | 0 | 0 | 0 | 110.9 | L489 V490 S491 Q496 L497 V505 L515 F519 I523 | L489-V493 HydrophobicContact CD2-CG2 4.36Å; L489-V493 WeakPolarHBondContact O-CG2 3.44Å; L489-V493 PolarHBondContact O-N 3.1Å; L489-V493 VanDerWaalsContact O-N 3.09Å; V490-V493 PolarHBondContact O-N 3.49Å; S491-V493 PolarHBondContact O-N 3.26Å; V493-Q496 PolarHBondContact O-N 2.91Å; V493-L497 HydrophobicContact CG1-CD1 3.78Å; V493-L497 HydrophobicContact CG1-CG 4.3Å; V493-L497 WeakPolarHBondContact O-CB 3.46Å; V493-L497 VanDerWaalsContact O-CG 3.31Å; V493-L497 WeakPolarHBondContact O-CG 3.38Å; V493-L497 PolarHBondContact O-N 3.07Å; V493-V505 HydrophobicContact CG2-CB 4.05Å; V493-V505 HydrophobicContact CG2-CG2 3.52Å; V493-L515 HydrophobicContact CB-CD2 4.23Å; V493-L515 HydrophobicContact CG1-CD2 4.18Å; V493-L515 HydrophobicContact CG2-CD2 4.27Å; V493-F519 HydrophobicContact CG1-CB 4.4Å; V493-F519 HydrophobicContact CG1-CG 4.44Å; V493-I523 HydrophobicContact CG1-CD1 3.91Å; V493-I523 HydrophobicContact CG1-CG1 4.13Å |
| 494 | A | 97.5 | Very high | 95.5 | Very high | 31 Ų | 31 | 62.9 Ų | 62.9 | 26% | 0.256 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V490 S491 I492 Q496 L497 E498 F519 | V490-A494 PolarHBondContact O-N 3.27Å; S491-A494 PolarHBondContact O-N 2.97Å; I492-A494 VanDerWaalsContact C-N 3.34Å; I492-A494 PolarHBondContact O-N 3.32Å; A494-Q496 PolarHBondContact O-N 2.91Å; A494-L497 PolarHBondContact O-N 3.19Å; A494-E498 WeakPolarHBondContact O-CB 3.37Å; A494-E498 PolarHBondContact O-N 3.39Å; A494-F519 HydrophobicContact CB-CE2 4.28Å; A494-F519 HydrophobicContact CB-CZ 3.83Å |
| 495 | D | 97.4 | Very high | 95.4 | Very high | 61 Ų | 61 | 56.2 Ų | 56.2 | 33% | 0.326 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.7 | -43.6 | 178 | -178.2 | 81.9 | 0 | 0 | 0 | 112.4 | S491 I492 E498 K499 | S491-D495 PolarHBondContact O-N 3.49Å; I492-D495 PolarHBondContact O-N 3.23Å; D495-E498 PolarHBondContact O-N 2.96Å; D495-K499 WeakPolarHBondContact O-CB 3.32Å; D495-K499 WeakPolarHBondContact O-CG 3.35Å; D495-K499 PolarHBondContact O-N 2.99Å; D495-K499 WeakPolarHBondContact OD1-CE 3.31Å; D495-K499 IonicContact OD1-NZ 3.84Å; D495-K499 PolarHBondContact OD1-NZ 2.91Å; D495-K499 WeakPolarHBondContact OD2-CE 3.47Å; D495-K499 IonicContact OD2-NZ 3.2Å; D495-K499 PolarHBondContact OD2-NZ 2.86Å |
| 496 | Q | 96.3 | Very high | 95.3 | Very high | 13 Ų | 13 | 59.5 Ų | 59.5 | 6% | 0.061 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.9 | -43.4 | 179.4 | -73.1 | 176 | -38.2 | 0 | 0 | 112.2 | I492 V493 A494 K499 N500 R501 S504 | I492-Q496 HydrophobicContact CG2-CG 4.46Å; I492-Q496 WeakPolarHBondContact O-CB 3.23Å; I492-Q496 VanDerWaalsContact O-CG 3.29Å; I492-Q496 WeakPolarHBondContact O-CG 3.19Å; I492-Q496 PolarHBondContact O-N 2.66Å; V493-Q496 PolarHBondContact O-N 2.91Å; A494-Q496 PolarHBondContact O-N 2.91Å; Q496-K499 CarbonylContact O-C 3.37Å; Q496-K499 PolarHBondContact O-N 2.89Å; Q496-N500 PolarHBondContact O-N 3.48Å; Q496-R501 HydrophobicContact CB-CB 4.36Å; Q496-R501 PolarHBondContact O-N 3.47Å; Q496-S504 PolarHBondContact NE2-OG 2.9Å |
| 497 | L | 94.5 | Very high | 95.3 | Very high | 25 Ų | 25 | 59.2 Ų | 59.2 | 13% | 0.131 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.8 | -42 | 178.2 | -72.9 | 175.5 | 0 | 0 | 0 | 111.7 | V493 A494 K499 N500 P503 F519 A522 R526 | V493-L497 HydrophobicContact CG1-CD1 3.78Å; V493-L497 HydrophobicContact CG1-CG 4.3Å; V493-L497 WeakPolarHBondContact O-CB 3.46Å; V493-L497 VanDerWaalsContact O-CG 3.31Å; V493-L497 WeakPolarHBondContact O-CG 3.38Å; V493-L497 PolarHBondContact O-N 3.07Å; A494-L497 PolarHBondContact O-N 3.19Å; L497-K499 VanDerWaalsContact C-N 3.32Å; L497-K499 PolarHBondContact O-N 3.26Å; L497-N500 PolarHBondContact O-N 3.08Å; L497-N500 VanDerWaalsContact O-N 3.14Å; L497-P503 HydrophobicContact CD2-CG 3.53Å; L497-P503 HydrophobicContact CG-CG 4.04Å; L497-F519 HydrophobicContact CD1-CB 4.42Å; L497-F519 HydrophobicContact CD1-CD1 3.64Å; L497-F519 HydrophobicContact CD1-CE1 4.25Å; L497-F519 HydrophobicContact CD1-CG 4.27Å; L497-A522 HydrophobicContact CD1-CB 3.82Å; L497-A522 HydrophobicContact CD2-CB 3.86Å; L497-A522 HydrophobicContact CG-CB 4.49Å; L497-R526 HydrophobicContact CD2-CG 4.05Å |
| 498 | E | 95.4 | Very high | 95.1 | Very high | 167 Ų | 167 | 54.2 Ų | 54.2 | 78% | 0.78 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -61 | -41.1 | 175.4 | -174.1 | 177.3 | -175.1 | 0 | 0 | 111.6 | A494 D495 N500 | A494-E498 WeakPolarHBondContact O-CB 3.37Å; A494-E498 PolarHBondContact O-N 3.39Å; D495-E498 PolarHBondContact O-N 2.96Å; E498-N500 PolarHBondContact O-N 2.89Å |
| 499 | K | 91.8 | Very high | 95 | Very high | 110 Ų | 110 | 50.9 Ų | 50.9 | 48% | 0.478 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 10.8 | 176.9 | -68.1 | 173.9 | -176.1 | 159.1 | 0 | 114.3 | D495 Q496 L497 R501 | D495-K499 WeakPolarHBondContact O-CB 3.32Å; D495-K499 WeakPolarHBondContact O-CG 3.35Å; D495-K499 PolarHBondContact O-N 2.99Å; D495-K499 WeakPolarHBondContact OD1-CE 3.31Å; D495-K499 IonicContact OD1-NZ 3.84Å; D495-K499 PolarHBondContact OD1-NZ 2.91Å; D495-K499 WeakPolarHBondContact OD2-CE 3.47Å; D495-K499 IonicContact OD2-NZ 3.2Å; D495-K499 PolarHBondContact OD2-NZ 2.86Å; Q496-K499 CarbonylContact O-C 3.37Å; Q496-K499 PolarHBondContact O-N 2.89Å; L497-K499 VanDerWaalsContact C-N 3.32Å; L497-K499 PolarHBondContact O-N 3.26Å; K499-R501 HydrophobicContact CB-CG 4.19Å; K499-R501 PolarHBondContact O-N 2.99Å |
| 500 | N | 87.8 | Confident | 94.9 | Very high | 113 Ų | 113 | 51.3 Ų | 51.3 | 60% | 0.604 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 29.8 | 179.4 | -162.2 | 67.3 | 0 | 0 | 0 | 113.5 | Q496 L497 E498 R526 | Q496-N500 PolarHBondContact O-N 3.48Å; L497-N500 PolarHBondContact O-N 3.08Å; L497-N500 VanDerWaalsContact O-N 3.14Å; E498-N500 PolarHBondContact O-N 2.89Å; N500-R526 PolarHBondContact OD1-NH1 2.97Å; N500-R526 PolarHBondContact OD1-NH2 3.43Å |
| 501 | R | 86.7 | Confident | 94.8 | Very high | 159 Ų | 159 | 50.4 Ų | 50.4 | 60% | 0.6 | 25% | 0.253 | S | S | * | . | P | Polyproline II helix | trans | -95.2 | 156.4 | 178.4 | -66 | -176.6 | 178.4 | -177.5 | -1.9 | 111.2 | Q496 K499 P503 | Q496-R501 HydrophobicContact CB-CB 4.36Å; Q496-R501 PolarHBondContact O-N 3.47Å; K499-R501 HydrophobicContact CB-CG 4.19Å; K499-R501 PolarHBondContact O-N 2.99Å; R501-P503 VanDerWaalsContact O-CD 3.31Å; R501-P503 WeakPolarHBondContact O-CD 3.46Å |
| 502 | L | 89.8 | Confident | 94.7 | Very high | 82 Ų | 82 | 46.7 Ų | 46.7 | 43% | 0.429 | 23% | 0.227 | S | C | . | . | P | Polyproline II helix | trans | -64.3 | 123.4 | 169.8 | -175.4 | 66.6 | 0 | 0 | 0 | 108.9 | R526 L530 | L502-R526 HydrophobicContact CD1-CB 3.92Å; L502-L530 HydrophobicContact CD2-CD2 4.22Å |
| 503 | P | 95.1 | Very high | 94.7 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 22% | 0.222 | C | C | . | . | P | Polyproline II helix | trans | -66.5 | 141.6 | 179.5 | -25.6 | 37.7 | 0 | 0 | 0 | 112.4 | L497 R501 V505 I523 R526 | L497-P503 HydrophobicContact CD2-CG 3.53Å; L497-P503 HydrophobicContact CG-CG 4.04Å; R501-P503 VanDerWaalsContact O-CD 3.31Å; R501-P503 WeakPolarHBondContact O-CD 3.46Å; P503-V505 PolarHBondContact O-N 3.38Å; P503-I523 HydrophobicContact CB-CG1 3.94Å; P503-I523 HydrophobicContact CG-CG1 3.97Å; P503-R526 HydrophobicContact CG-CG 4.34Å |
| 504 | S | 94.8 | Very high | 94.7 | Very high | 11 Ų | 11 | 49.8 Ų | 49.8 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -69.7 | -15.6 | 176.6 | -68.1 | 0 | 0 | 0 | 0 | 113.5 | P463 D464 Q496 | P463-S504 WeakPolarHBondContact CB-OG 3.12Å; D464-S504 WeakPolarHBondContact CA-OG 3.39Å; D464-S504 VanDerWaalsContact CG-OG 3.31Å; D464-S504 PolarHBondContact N-OG 3.39Å; D464-S504 VanDerWaalsContact OD1-CB 3.26Å; D464-S504 WeakPolarHBondContact OD1-CB 3.45Å; D464-S504 PolarHBondContact OD1-OG 3.05Å; Q496-S504 PolarHBondContact NE2-OG 2.9Å |
| 505 | V | 96.7 | Very high | 94.6 | Very high | 3 Ų | 3 | 48.7 Ų | 48.7 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -85.6 | 119.8 | 173.7 | 173.8 | 0 | 0 | 0 | 0 | 109 | C467 L489 V493 P503 Y513 L515 I523 | C467-V505 HydrophobicContact CB-CG2 4.15Å; L489-V505 HydrophobicContact CD1-CG2 4.31Å; L489-V505 HydrophobicContact CD2-CG2 3.82Å; L489-V505 HydrophobicContact CG-CG2 4.03Å; V493-V505 HydrophobicContact CG2-CB 4.05Å; V493-V505 HydrophobicContact CG2-CG2 3.52Å; P503-V505 PolarHBondContact O-N 3.38Å; V505-Y513 HydrophobicContact CG1-CD2 3.88Å; V505-Y513 HydrophobicContact CG1-CE2 3.86Å; V505-Y513 HydrophobicContact CG2-CE2 4.5Å; V505-L515 HydrophobicContact CG1-CD1 4.49Å; V505-I523 HydrophobicContact CB-CD1 4.27Å; V505-I523 HydrophobicContact CG1-CD1 4.18Å; V505-I523 WeakPolarHBondContact O-CG2 3.48Å |
| 506 | H | 94.6 | Very high | 94.6 | Very high | 72 Ų | 72 | 48.6 Ų | 48.6 | 33% | 0.333 | 24% | 0.242 | S | C | . | . | trans | -67 | 142.2 | 173.7 | -169.9 | -104.5 | 0 | 0 | 0 | 111.2 | H508 H509 S510 Y642 | H506-H508 VanDerWaalsContact C-N 3.29Å; H506-H508 PolarHBondContact ND1-N 3.43Å; H506-H508 PolarHBondContact O-N 3.34Å; H506-H509 PolarHBondContact O-N 3.29Å; H506-S510 PolarHBondContact O-N 3.21Å; H506-Y642 PolarHBondContact CE1-O 2.84Å | ||
| 507 | P | 97 | Very high | 94.6 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -54.4 | -43.2 | -175.9 | -26.4 | 33.2 | 0 | 0 | 0 | 113.1 | H509 S510 I523 A524 H527 Y642 Y665 | P507-H509 PolarHBondContact O-N 3.46Å; P507-S510 WeakPolarHBondContact O-CB 3.33Å; P507-S510 PolarHBondContact O-N 3.44Å; P507-S510 VanDerWaalsContact O-N 3.1Å; P507-S510 PolarHBondContact O-OG 2.9Å; P507-I523 HydrophobicContact CB-CG2 4.33Å; P507-I523 HydrophobicContact CG-CG2 3.99Å; P507-A524 HydrophobicContact CB-CB 4.46Å; P507-H527 WeakPolarHBondContact CD-NE2 3.31Å; P507-H527 HydrophobicContact CG-CB 3.93Å; P507-H527 VanDerWaalsContact CG-CG 3.48Å; P507-Y642 HydrophobicContact CB-CD2 3.41Å; P507-Y642 VanDerWaalsContact CB-CD2 3.41Å; P507-Y642 HydrophobicContact CB-CE2 4.04Å; P507-Y642 HydrophobicContact CB-CG 3.81Å; P507-Y642 HydrophobicContact CG-CD1 4.24Å; P507-Y642 HydrophobicContact CG-CD2 3.69Å; P507-Y642 HydrophobicContact CG-CE2 4.09Å; P507-Y642 HydrophobicContact CG-CG 3.76Å; P507-Y665 VanDerWaalsContact CB-OH 3.32Å; P507-Y665 WeakPolarHBondContact CB-OH 3.36Å; P507-Y665 PolarHBondContact O-OH 3.29Å |
| 508 | H | 94.5 | Very high | 94.7 | Very high | 50 Ų | 50 | 50.4 Ų | 50.4 | 23% | 0.231 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.8 | -25.8 | 178.3 | -173.7 | -119.5 | 0 | 0 | 0 | 113.6 | H506 M511 Y665 | H506-H508 VanDerWaalsContact C-N 3.29Å; H506-H508 PolarHBondContact ND1-N 3.43Å; H506-H508 PolarHBondContact O-N 3.34Å; H508-M511 WeakPolarHBondContact O-CE 3.47Å; H508-Y665 HydrophobicContact CB-CE2 4.02Å; H508-Y665 AromaticContact CD2-CE2 3.91Å; H508-Y665 PolarHBondContact N-OH 3.05Å |
| 509 | H | 95.4 | Very high | 94.8 | Very high | 30 Ų | 30 | 45.3 Ų | 45.3 | 14% | 0.139 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -89 | -20.3 | 179 | -54.1 | 161.6 | 0 | 0 | 0 | 112.2 | H471 H506 P507 M511 L512 Y513 | H471-H509 AromaticContact CD2-CE1 3.72Å; H471-H509 AromaticContact CD2-ND1 3.94Å; H471-H509 AromaticContact CE1-CD2 3.44Å; H471-H509 PolarHBondContact CE1-CD2 3.03Å; H471-H509 VanDerWaalsContact CE1-CD2 3.44Å; H471-H509 AromaticContact CE1-CE1 3.86Å; H471-H509 AromaticContact CE1-CG 3.58Å; H471-H509 AromaticContact CE1-ND1 3.82Å; H471-H509 AromaticContact CE1-NE2 3.67Å; H471-H509 AromaticContact CG-ND1 3.76Å; H471-H509 AromaticContact ND1-CD2 3.95Å; H471-H509 AromaticContact ND1-CG 3.59Å; H471-H509 AromaticContact ND1-ND1 3.68Å; H471-H509 AromaticContact NE2-CD2 3.8Å; H471-H509 AromaticContact NE2-CE1 3.61Å; H471-H509 AromaticContact NE2-ND1 3.97Å; H471-H509 AromaticContact NE2-NE2 3.52Å; H506-H509 PolarHBondContact O-N 3.29Å; P507-H509 PolarHBondContact O-N 3.46Å; H509-M511 PolarHBondContact O-N 3.35Å; H509-M511 VanDerWaalsContact O-N 3.08Å; H509-L512 WeakPolarHBondContact O-CB 3.36Å; H509-L512 PolarHBondContact O-N 2.86Å; H509-Y513 HydrophobicContact CB-CE2 3.74Å; H509-Y513 WeakPolarHBondContact O-CD2 3.3Å; H509-Y513 VanDerWaalsContact O-CE2 3.28Å; H509-Y513 WeakPolarHBondContact O-CE2 3.02Å |
| 510 | S | 97.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 41.7 Ų | 41.7 | 6% | 0.056 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.4 | -26.1 | -174.7 | 74.8 | 0 | 0 | 0 | 0 | 113.8 | H506 P507 L512 Y513 R520 | H506-S510 PolarHBondContact O-N 3.21Å; P507-S510 WeakPolarHBondContact O-CB 3.33Å; P507-S510 PolarHBondContact O-N 3.44Å; P507-S510 VanDerWaalsContact O-N 3.1Å; P507-S510 PolarHBondContact O-OG 2.9Å; S510-L512 PolarHBondContact O-N 3.34Å; S510-Y513 PolarHBondContact O-N 2.9Å; S510-R520 PolarHBondContact O-NE 3.17Å |
| 511 | M | 95.2 | Very high | 95.6 | Very high | 15 Ų | 15 | 38.6 Ų | 38.6 | 7% | 0.074 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -20.7 | 175.2 | 63.2 | 179 | 176.3 | 0 | 0 | 113.8 | H508 H509 P666 A952 | H508-M511 WeakPolarHBondContact O-CE 3.47Å; H509-M511 PolarHBondContact O-N 3.35Å; H509-M511 VanDerWaalsContact O-N 3.08Å; M511-P666 HydrophobicContact CE-CG 4.29Å; M511-P666 HydrophobicContact SD-CG 3.97Å; M511-A952 HydrophobicContact CB-CB 4.15Å; M511-A952 HydrophobicContact CG-CB 4.33Å; M511-A952 HydrophobicContact SD-CB 3.34Å; M511-A952 WeakPolarHBondContact SD-CB 3.48Å |
| 512 | L | 96.8 | Very high | 96.2 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -8.2 | -178.2 | -56.6 | 175.6 | 0 | 0 | 0 | 113.5 | H509 S510 Y851 L926 C927 | H509-L512 WeakPolarHBondContact O-CB 3.36Å; H509-L512 PolarHBondContact O-N 2.86Å; S510-L512 PolarHBondContact O-N 3.34Å; L512-Y851 HydrophobicContact CD1-CD2 3.57Å; L512-Y851 HydrophobicContact CD1-CE2 3.95Å; L512-Y851 HydrophobicContact CD2-CD2 3.86Å; L512-Y851 HydrophobicContact CD2-CE2 3.89Å; L512-Y851 HydrophobicContact CG-CD2 4.36Å; L512-Y851 HydrophobicContact CG-CE2 4.49Å; L512-L926 HydrophobicContact CB-CD2 4.45Å; L512-L926 HydrophobicContact CD2-CD2 4.09Å; L512-L926 HydrophobicContact CD2-CG 4.3Å; L512-C927 HydrophobicContact CD2-CB 3.96Å |
| 513 | Y | 97 | Very high | 96.5 | Very high | 5 Ų | 5 | 28.1 Ų | 28.1 | 2% | 0.02 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -114.2 | 152.5 | -171.9 | -52.1 | -47.1 | 0 | 0 | 0 | 110.6 | H471 M486 L489 V505 H509 S510 L515 R520 | H471-Y513 WeakPolarHBondContact CA-OH 3.33Å; H471-Y513 VanDerWaalsContact CB-OH 3.32Å; H471-Y513 WeakPolarHBondContact CB-OH 3.44Å; H471-Y513 PolarHBondContact ND1-OH 3.04Å; H471-Y513 VanDerWaalsContact ND1-OH 3.13Å; M486-Y513 HydrophobicContact CE-CD1 4.23Å; M486-Y513 HydrophobicContact CE-CE1 4.41Å; M486-Y513 HydrophobicContact SD-CD1 3.75Å; M486-Y513 HydrophobicContact SD-CE1 4.41Å; L489-Y513 HydrophobicContact CD1-CD1 4.06Å; L489-Y513 HydrophobicContact CD1-CD2 4.04Å; L489-Y513 HydrophobicContact CD1-CE1 4.05Å; L489-Y513 HydrophobicContact CD1-CE2 4.03Å; L489-Y513 HydrophobicContact CD1-CG 4.07Å; L489-Y513 HydrophobicContact CD2-CD2 3.95Å; L489-Y513 HydrophobicContact CD2-CG 3.95Å; V505-Y513 HydrophobicContact CG1-CD2 3.88Å; V505-Y513 HydrophobicContact CG1-CE2 3.86Å; V505-Y513 HydrophobicContact CG2-CE2 4.5Å; H509-Y513 HydrophobicContact CB-CE2 3.74Å; H509-Y513 WeakPolarHBondContact O-CD2 3.3Å; H509-Y513 VanDerWaalsContact O-CE2 3.28Å; H509-Y513 WeakPolarHBondContact O-CE2 3.02Å; S510-Y513 PolarHBondContact O-N 2.9Å; Y513-L515 HydrophobicContact CD2-CD1 4.49Å; Y513-L515 PolarHBondContact O-N 3.38Å; Y513-R520 PolarHBondContact O-NH2 3.08Å |
| 514 | P | 96.4 | Very high | 96.7 | Very high | 82 Ų | 82 | 27.9 Ų | 27.9 | 53% | 0.532 | 16% | 0.16 | S | C | . | . | trans | -76.7 | 52.1 | 179.8 | 33.6 | -36.8 | 0 | 0 | 0 | 112 | M486 V490 | M486-P514 HydrophobicContact CB-CG 3.89Å; M486-P514 HydrophobicContact CG-CG 4.39Å; V490-P514 HydrophobicContact CG2-CG 4.28Å | ||
| 515 | L | 96.9 | Very high | 96.8 | Very high | 9 Ų | 9 | 31 Ų | 31 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | trans | -81.1 | 153.1 | 173.9 | -64.2 | 168.4 | 0 | 0 | 0 | 110.1 | L489 V490 V493 V505 Y513 F519 R520 I523 | L489-L515 HydrophobicContact CD2-CD2 4.36Å; V490-L515 HydrophobicContact CB-CD2 4.37Å; V490-L515 HydrophobicContact CG1-CD2 4.39Å; V490-L515 HydrophobicContact CG2-CD2 3.89Å; V493-L515 HydrophobicContact CB-CD2 4.23Å; V493-L515 HydrophobicContact CG1-CD2 4.18Å; V493-L515 HydrophobicContact CG2-CD2 4.27Å; V505-L515 HydrophobicContact CG1-CD1 4.49Å; Y513-L515 HydrophobicContact CD2-CD1 4.49Å; Y513-L515 PolarHBondContact O-N 3.38Å; L515-F519 HydrophobicContact CB-CB 4.21Å; L515-F519 HydrophobicContact CD2-CB 4.37Å; L515-F519 HydrophobicContact CD2-CD2 4.14Å; L515-R520 HydrophobicContact CB-CG 4.04Å; L515-R520 HydrophobicContact CD1-CG 4.44Å; L515-R520 PolarHBondContact O-NH1 3.45Å; L515-R520 PolarHBondContact O-NH2 3.47Å; L515-I523 HydrophobicContact CD1-CD1 3.71Å | ||
| 516 | S | 96.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 33.8 Ų | 33.8 | 41% | 0.413 | 18% | 0.183 | S | C | . | . | trans | -69.9 | 158.5 | 167.6 | 68.6 | 0 | 0 | 0 | 0 | 110.6 | G518 F519 R520 | S516-G518 PolarHBondContact O-N 3.49Å; S516-F519 PolarHBondContact O-N 3.45Å; S516-F519 VanDerWaalsContact O-N 3.12Å; S516-F519 WeakPolarHBondContact OG-CD2 3.39Å; S516-F519 VanDerWaalsContact OG-CG 3.31Å; S516-F519 WeakPolarHBondContact OG-CG 3.39Å; S516-F519 PolarHBondContact OG-N 3.06Å; S516-F519 VanDerWaalsContact OG-N 3.13Å; S516-R520 PolarHBondContact O-N 3.12Å | ||
| 517 | H | 96.7 | Very high | 96.8 | Very high | 29 Ų | 29 | 31.7 Ų | 31.7 | 13% | 0.134 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.4 | -42 | 173.2 | -62.5 | -39.5 | 0 | 0 | 0 | 112 | F519 R520 K521 Q691 E949 | H517-F519 VanDerWaalsContact C-N 3.33Å; H517-F519 PolarHBondContact O-N 3.46Å; H517-R520 PolarHBondContact ND1-NH1 3.01Å; H517-R520 PolarHBondContact O-N 2.98Å; H517-K521 WeakPolarHBondContact O-CB 3.36Å; H517-K521 PolarHBondContact O-N 3.3Å; H517-Q691 HydrophobicContact CB-CB 3.75Å; H517-E949 IonicContact CD2-OE2 3.9Å; H517-E949 VanDerWaalsContact CE1-CB 3.44Å; H517-E949 WeakPolarHBondContact CE1-CB 3.22Å; H517-E949 IonicContact CE1-OE2 2.65Å; H517-E949 IonicContact NE2-OE2 3.15Å; H517-E949 PolarHBondContact NE2-OE2 3.45Å |
| 518 | G | 96.7 | Very high | 96.7 | Very high | 47 Ų | 47 | 31.6 Ų | 31.6 | 49% | 0.485 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -57.2 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S516 A522 | S516-G518 PolarHBondContact O-N 3.49Å; G518-A522 VanDerWaalsContact O-CB 3.25Å; G518-A522 WeakPolarHBondContact O-CB 3.25Å; G518-A522 PolarHBondContact O-N 3.27Å |
| 519 | F | 97.8 | Very high | 96.7 | Very high | 60 Ų | 60 | 32.1 Ų | 32.1 | 26% | 0.263 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.3 | -42.6 | 176.1 | -70.9 | -20.2 | 0 | 0 | 0 | 112.9 | V490 V493 A494 L497 L515 S516 H517 K521 A522 I523 | V490-F519 HydrophobicContact CG1-CD2 4.48Å; V490-F519 HydrophobicContact CG1-CE2 4.12Å; V493-F519 HydrophobicContact CG1-CB 4.4Å; V493-F519 HydrophobicContact CG1-CG 4.44Å; A494-F519 HydrophobicContact CB-CE2 4.28Å; A494-F519 HydrophobicContact CB-CZ 3.83Å; L497-F519 HydrophobicContact CD1-CB 4.42Å; L497-F519 HydrophobicContact CD1-CD1 3.64Å; L497-F519 HydrophobicContact CD1-CE1 4.25Å; L497-F519 HydrophobicContact CD1-CG 4.27Å; L515-F519 HydrophobicContact CB-CB 4.21Å; L515-F519 HydrophobicContact CD2-CB 4.37Å; L515-F519 HydrophobicContact CD2-CD2 4.14Å; S516-F519 PolarHBondContact O-N 3.45Å; S516-F519 VanDerWaalsContact O-N 3.12Å; S516-F519 WeakPolarHBondContact OG-CD2 3.39Å; S516-F519 VanDerWaalsContact OG-CG 3.31Å; S516-F519 WeakPolarHBondContact OG-CG 3.39Å; S516-F519 PolarHBondContact OG-N 3.06Å; S516-F519 VanDerWaalsContact OG-N 3.13Å; H517-F519 VanDerWaalsContact C-N 3.33Å; H517-F519 PolarHBondContact O-N 3.46Å; F519-K521 VanDerWaalsContact C-N 3.32Å; F519-K521 PolarHBondContact O-N 3.01Å; F519-A522 PolarHBondContact O-N 3.19Å; F519-I523 WeakPolarHBondContact O-CB 3.34Å; F519-I523 WeakPolarHBondContact O-CD1 3.49Å; F519-I523 WeakPolarHBondContact O-CG1 3.33Å; F519-I523 PolarHBondContact O-N 3.35Å |
| 520 | R | 98.1 | Very high | 96.4 | Very high | 33 Ų | 33 | 34 Ų | 34 | 13% | 0.125 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.6 | -44.5 | 177.4 | -64.5 | -167.7 | -170.6 | 84.4 | 6.9 | 111.4 | S510 Y513 L515 S516 H517 I523 A524 | S510-R520 PolarHBondContact O-NE 3.17Å; Y513-R520 PolarHBondContact O-NH2 3.08Å; L515-R520 HydrophobicContact CB-CG 4.04Å; L515-R520 HydrophobicContact CD1-CG 4.44Å; L515-R520 PolarHBondContact O-NH1 3.45Å; L515-R520 PolarHBondContact O-NH2 3.47Å; S516-R520 PolarHBondContact O-N 3.12Å; H517-R520 PolarHBondContact ND1-NH1 3.01Å; H517-R520 PolarHBondContact O-N 2.98Å; R520-I523 PolarHBondContact O-N 2.61Å; R520-A524 PolarHBondContact O-N 3.01Å; R520-A524 VanDerWaalsContact O-N 3.15Å |
| 521 | K | 98.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 21% | 0.209 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.4 | -46.7 | 175.3 | -178.1 | 173.5 | 170.6 | 171.5 | 0 | 111.9 | H517 F519 I523 A524 E525 T668 E690 Y692 | H517-K521 WeakPolarHBondContact O-CB 3.36Å; H517-K521 PolarHBondContact O-N 3.3Å; F519-K521 VanDerWaalsContact C-N 3.32Å; F519-K521 PolarHBondContact O-N 3.01Å; K521-I523 PolarHBondContact O-N 2.76Å; K521-A524 WeakPolarHBondContact O-CB 3.18Å; K521-A524 PolarHBondContact O-N 2.62Å; K521-A524 VanDerWaalsContact O-N 3.16Å; K521-E525 WeakPolarHBondContact CE-OE1 3.4Å; K521-E525 HydrophobicContact CG-CG 4.47Å; K521-E525 WeakPolarHBondContact CG-OE1 3.42Å; K521-E525 WeakPolarHBondContact O-CG 3.36Å; K521-E525 PolarHBondContact O-N 2.89Å; K521-T668 HydrophobicContact CB-CG2 4.36Å; K521-E690 WeakPolarHBondContact CD-O 3.45Å; K521-E690 PolarHBondContact NZ-O 3.32Å; K521-Y692 WeakPolarHBondContact CE-O 3.42Å; K521-Y692 PolarHBondContact NZ-O 3.35Å |
| 522 | A | 97.9 | Very high | 95.9 | Very high | 21 Ų | 21 | 35.9 Ų | 35.9 | 17% | 0.174 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113 | L497 G518 F519 A524 E525 R526 | L497-A522 HydrophobicContact CD1-CB 3.82Å; L497-A522 HydrophobicContact CD2-CB 3.86Å; L497-A522 HydrophobicContact CG-CB 4.49Å; G518-A522 VanDerWaalsContact O-CB 3.25Å; G518-A522 WeakPolarHBondContact O-CB 3.25Å; G518-A522 PolarHBondContact O-N 3.27Å; F519-A522 PolarHBondContact O-N 3.19Å; A522-A524 VanDerWaalsContact C-N 3.33Å; A522-E525 PolarHBondContact O-N 3.36Å; A522-R526 VanDerWaalsContact O-CG 3.23Å; A522-R526 WeakPolarHBondContact O-CG 3.25Å; A522-R526 PolarHBondContact O-N 2.86Å |
| 523 | I | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.7 | -47 | 172.8 | -70.5 | 162.4 | 0 | 0 | 0 | 110.3 | V493 P503 V505 P507 L515 F519 R520 K521 R526 H527 | V493-I523 HydrophobicContact CG1-CD1 3.91Å; V493-I523 HydrophobicContact CG1-CG1 4.13Å; P503-I523 HydrophobicContact CB-CG1 3.94Å; P503-I523 HydrophobicContact CG-CG1 3.97Å; V505-I523 HydrophobicContact CB-CD1 4.27Å; V505-I523 HydrophobicContact CG1-CD1 4.18Å; V505-I523 WeakPolarHBondContact O-CG2 3.48Å; P507-I523 HydrophobicContact CB-CG2 4.33Å; P507-I523 HydrophobicContact CG-CG2 3.99Å; L515-I523 HydrophobicContact CD1-CD1 3.71Å; F519-I523 WeakPolarHBondContact O-CB 3.34Å; F519-I523 WeakPolarHBondContact O-CD1 3.49Å; F519-I523 WeakPolarHBondContact O-CG1 3.33Å; F519-I523 PolarHBondContact O-N 3.35Å; R520-I523 PolarHBondContact O-N 2.61Å; K521-I523 PolarHBondContact O-N 2.76Å; I523-R526 PolarHBondContact O-N 3.39Å; I523-H527 PolarHBondContact O-N 3.37Å; I523-H527 PolarHBondContact O-ND1 3.46Å |
| 524 | A | 98.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | P507 R520 K521 A522 R526 H527 G528 Y642 T668 S669 | P507-A524 HydrophobicContact CB-CB 4.46Å; R520-A524 PolarHBondContact O-N 3.01Å; R520-A524 VanDerWaalsContact O-N 3.15Å; K521-A524 WeakPolarHBondContact O-CB 3.18Å; K521-A524 PolarHBondContact O-N 2.62Å; K521-A524 VanDerWaalsContact O-N 3.16Å; A522-A524 VanDerWaalsContact C-N 3.33Å; A524-R526 VanDerWaalsContact C-N 3.31Å; A524-R526 PolarHBondContact O-N 3.15Å; A524-H527 PolarHBondContact O-N 3.37Å; A524-H527 VanDerWaalsContact O-N 3.08Å; A524-G528 PolarHBondContact O-N 3.17Å; A524-Y642 HydrophobicContact CB-CE2 3.99Å; A524-Y642 PolarHBondContact O-OH 3.45Å; A524-T668 HydrophobicContact CB-CG2 4.16Å; A524-S669 CarbonylContact C-O 3.57Å; A524-S669 WeakPolarHBondContact CB-O 3.46Å |
| 525 | E | 97.7 | Very high | 94 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 35% | 0.35 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -54.6 | -43.7 | 174.7 | -80.2 | 168.5 | -173.8 | 0 | 0 | 112.3 | K521 A522 H527 G528 N529 G670 | K521-E525 WeakPolarHBondContact CE-OE1 3.4Å; K521-E525 HydrophobicContact CG-CG 4.47Å; K521-E525 WeakPolarHBondContact CG-OE1 3.42Å; K521-E525 WeakPolarHBondContact O-CG 3.36Å; K521-E525 PolarHBondContact O-N 2.89Å; A522-E525 PolarHBondContact O-N 3.36Å; E525-H527 VanDerWaalsContact C-N 3.32Å; E525-H527 PolarHBondContact O-N 3.36Å; E525-G528 PolarHBondContact O-N 3.28Å; E525-N529 WeakPolarHBondContact O-CB 3.47Å; E525-N529 VanDerWaalsContact O-CG 3.24Å; E525-N529 PolarHBondContact O-N 3.47Å; E525-N529 PolarHBondContact O-ND2 3.23Å; E525-G670 VanDerWaalsContact CA-O 3.23Å; E525-G670 WeakPolarHBondContact CA-O 3.21Å; E525-G670 WeakPolarHBondContact CG-O 3.39Å |
| 526 | R | 95.1 | Very high | 93.3 | Very high | 63 Ų | 63 | 46.9 Ų | 46.9 | 24% | 0.238 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.7 | -37.1 | 178 | -66.8 | -73.2 | 177.6 | -166.3 | 0 | 112.8 | L497 N500 L502 P503 A522 I523 A524 L530 | L497-R526 HydrophobicContact CD2-CG 4.05Å; N500-R526 PolarHBondContact OD1-NH1 2.97Å; N500-R526 PolarHBondContact OD1-NH2 3.43Å; L502-R526 HydrophobicContact CD1-CB 3.92Å; P503-R526 HydrophobicContact CG-CG 4.34Å; A522-R526 VanDerWaalsContact O-CG 3.23Å; A522-R526 WeakPolarHBondContact O-CG 3.25Å; A522-R526 PolarHBondContact O-N 2.86Å; I523-R526 PolarHBondContact O-N 3.39Å; A524-R526 VanDerWaalsContact C-N 3.31Å; A524-R526 PolarHBondContact O-N 3.15Å; R526-L530 PolarHBondContact O-N 3Å |
| 527 | H | 94.9 | Very high | 92.5 | Very high | 27 Ų | 27 | 49 Ų | 49 | 13% | 0.125 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -73.8 | -34.3 | 175.9 | -72.6 | 71.2 | 0 | 0 | 0 | 112 | P507 I523 A524 E525 L530 C531 Y642 | P507-H527 WeakPolarHBondContact CD-NE2 3.31Å; P507-H527 HydrophobicContact CG-CB 3.93Å; P507-H527 VanDerWaalsContact CG-CG 3.48Å; I523-H527 PolarHBondContact O-N 3.37Å; I523-H527 PolarHBondContact O-ND1 3.46Å; A524-H527 PolarHBondContact O-N 3.37Å; A524-H527 VanDerWaalsContact O-N 3.08Å; E525-H527 VanDerWaalsContact C-N 3.32Å; E525-H527 PolarHBondContact O-N 3.36Å; H527-L530 PolarHBondContact O-N 3.29Å; H527-C531 PolarHBondContact O-N 3.47Å; H527-C531 PolarHBondContact O-SG 2.93Å; H527-C531 VanDerWaalsContact O-SG 3.33Å; H527-Y642 HydrophobicContact CB-CD1 4.09Å; H527-Y642 HydrophobicContact CB-CE1 3.5Å; H527-Y642 VanDerWaalsContact CB-CE1 3.5Å |
| 528 | G | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -45.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A524 E525 L530 C531 L532 Y642 | A524-G528 PolarHBondContact O-N 3.17Å; E525-G528 PolarHBondContact O-N 3.28Å; G528-L530 VanDerWaalsContact C-N 3.33Å; G528-L530 PolarHBondContact O-N 3.14Å; G528-C531 VanDerWaalsContact O-CB 3.29Å; G528-C531 WeakPolarHBondContact O-CB 3.34Å; G528-C531 PolarHBondContact O-N 3.19Å; G528-L532 PolarHBondContact O-N 3.32Å; G528-Y642 WeakPolarHBondContact CA-OH 3.32Å; G528-Y642 PolarHBondContact N-OH 3.3Å; G528-Y642 VanDerWaalsContact N-OH 3.11Å |
| 529 | N | 93.6 | Very high | 91.1 | Very high | 61 Ų | 61 | 56.6 Ų | 56.6 | 33% | 0.326 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.4 | -37.7 | 176.9 | -68.9 | -19.6 | 0 | 0 | 0 | 112.4 | E525 C531 L532 D533 | E525-N529 WeakPolarHBondContact O-CB 3.47Å; E525-N529 VanDerWaalsContact O-CG 3.24Å; E525-N529 PolarHBondContact O-N 3.47Å; E525-N529 PolarHBondContact O-ND2 3.23Å; N529-C531 PolarHBondContact O-N 3.39Å; N529-L532 WeakPolarHBondContact O-CA 3.38Å; N529-L532 WeakPolarHBondContact O-CB 3.42Å; N529-L532 PolarHBondContact O-N 3.29Å; N529-D533 PolarHBondContact O-N 3.03Å |
| 530 | L | 89.6 | Confident | 90.6 | Very high | 69 Ų | 69 | 57.1 Ų | 57.1 | 36% | 0.361 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -58.4 | -34.4 | 172.8 | -176.7 | 65.8 | 0 | 0 | 0 | 112.1 | L502 R526 H527 G528 K534 | L502-L530 HydrophobicContact CD2-CD2 4.22Å; R526-L530 PolarHBondContact O-N 3Å; H527-L530 PolarHBondContact O-N 3.29Å; G528-L530 VanDerWaalsContact C-N 3.33Å; G528-L530 PolarHBondContact O-N 3.14Å; L530-K534 WeakPolarHBondContact O-CG 3.28Å; L530-K534 PolarHBondContact O-N 2.93Å; L530-K534 VanDerWaalsContact O-N 3.16Å |
| 531 | C | 90.7 | Very high | 90.4 | Very high | 10 Ų | 10 | 60.1 Ų | 60.1 | 7% | 0.068 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 174.1 | -59.8 | 0 | 0 | 0 | 0 | 111.5 | H527 G528 N529 K534 I535 E649 A652 F673 | H527-C531 PolarHBondContact O-N 3.47Å; H527-C531 PolarHBondContact O-SG 2.93Å; H527-C531 VanDerWaalsContact O-SG 3.33Å; G528-C531 VanDerWaalsContact O-CB 3.29Å; G528-C531 WeakPolarHBondContact O-CB 3.34Å; G528-C531 PolarHBondContact O-N 3.19Å; N529-C531 PolarHBondContact O-N 3.39Å; C531-K534 PolarHBondContact O-N 3.33Å; C531-I535 WeakPolarHBondContact O-CG2 3.4Å; C531-I535 PolarHBondContact O-N 3.07Å; C531-I535 VanDerWaalsContact O-N 3.14Å; C531-E649 HydrophobicContact CB-CG 4.39Å; C531-A652 HydrophobicContact CB-CB 4.21Å; C531-F673 HydrophobicContact CB-CE1 4.32Å; C531-F673 HydrophobicContact CB-CZ 4.41Å |
| 532 | L | 91.2 | Very high | 90.3 | Very high | 53 Ų | 53 | 63.8 Ų | 63.8 | 28% | 0.277 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 174.6 | -67.3 | 170.4 | 0 | 0 | 0 | 111.2 | G528 N529 K534 I535 N536 A652 F673 | G528-L532 PolarHBondContact O-N 3.32Å; N529-L532 WeakPolarHBondContact O-CA 3.38Å; N529-L532 WeakPolarHBondContact O-CB 3.42Å; N529-L532 PolarHBondContact O-N 3.29Å; L532-K534 VanDerWaalsContact C-N 3.31Å; L532-K534 PolarHBondContact O-N 3.43Å; L532-I535 HydrophobicContact CD2-CD1 4.31Å; L532-I535 WeakPolarHBondContact O-CG1 3.43Å; L532-I535 PolarHBondContact O-N 2.88Å; L532-N536 PolarHBondContact O-N 3.3Å; L532-N536 PolarHBondContact O-ND2 3.41Å; L532-N536 PolarHBondContact O-OD1 2.91Å; L532-A652 HydrophobicContact CD2-CB 4.14Å; L532-F673 HydrophobicContact CD2-CD1 4.15Å; L532-F673 HydrophobicContact CG-CD1 4.37Å; L532-F673 HydrophobicContact CG-CE1 4.48Å |
| 533 | D | 83.5 | Confident | 90.3 | Very high | 102 Ų | 102 | 64.2 Ų | 64.2 | 55% | 0.545 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.5 | -42.9 | 178.4 | -66.5 | -22.3 | 0 | 0 | 0 | 111.7 | N529 I535 N536 | N529-D533 PolarHBondContact O-N 3.03Å; D533-I535 PolarHBondContact O-N 3.42Å; D533-N536 PolarHBondContact O-N 2.93Å |
| 534 | K | 80.3 | Confident | 90.3 | Very high | 116 Ų | 116 | 72.6 Ų | 72.6 | 50% | 0.504 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.4 | -37.9 | 177.1 | -73.9 | 177.3 | -177.6 | -175.5 | 0 | 113.5 | L530 C531 L532 E649 | L530-K534 WeakPolarHBondContact O-CG 3.28Å; L530-K534 PolarHBondContact O-N 2.93Å; L530-K534 VanDerWaalsContact O-N 3.16Å; C531-K534 PolarHBondContact O-N 3.33Å; L532-K534 VanDerWaalsContact C-N 3.31Å; L532-K534 PolarHBondContact O-N 3.43Å; K534-E649 HydrophobicContact CB-CG 4.35Å; K534-E649 HydrophobicContact CD-CG 4.23Å; K534-E649 VanDerWaalsContact CD-OE1 3.25Å; K534-E649 WeakPolarHBondContact CD-OE1 3.33Å; K534-E649 IonicContact NZ-OE1 3.26Å; K534-E649 PolarHBondContact NZ-OE1 3.32Å |
| 535 | I | 85.9 | Confident | 90.3 | Very high | 12 Ų | 12 | 74.6 Ų | 74.6 | 6% | 0.062 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -81.9 | -22.4 | -177.9 | 64.3 | 159.5 | 0 | 0 | 0 | 113.1 | C531 L532 D533 V537 L538 E649 A652 L653 | C531-I535 WeakPolarHBondContact O-CG2 3.4Å; C531-I535 PolarHBondContact O-N 3.07Å; C531-I535 VanDerWaalsContact O-N 3.14Å; L532-I535 HydrophobicContact CD2-CD1 4.31Å; L532-I535 WeakPolarHBondContact O-CG1 3.43Å; L532-I535 PolarHBondContact O-N 2.88Å; D533-I535 PolarHBondContact O-N 3.42Å; I535-V537 PolarHBondContact O-N 3.49Å; I535-L538 HydrophobicContact CB-CD1 4.48Å; I535-L538 VanDerWaalsContact O-CB 3.25Å; I535-L538 WeakPolarHBondContact O-CB 3.31Å; I535-L538 PolarHBondContact O-N 3.25Å; I535-E649 HydrophobicContact CG2-CB 3.68Å; I535-E649 HydrophobicContact CG2-CG 4.1Å; I535-A652 VanDerWaalsContact CD1-C 3.41Å; I535-A652 HydrophobicContact CD1-CB 3.63Å; I535-A652 WeakPolarHBondContact CD1-O 3.31Å; I535-A652 HydrophobicContact CG1-CB 4.29Å; I535-A652 HydrophobicContact CG2-CB 4.44Å; I535-L653 HydrophobicContact CB-CD2 4.13Å; I535-L653 HydrophobicContact CB-CG 4.15Å; I535-L653 HydrophobicContact CD1-CD2 3.91Å; I535-L653 HydrophobicContact CD1-CG 3.9Å; I535-L653 HydrophobicContact CG2-CD1 4.31Å; I535-L653 HydrophobicContact CG2-CG 4.03Å |
| 536 | N | 83 | Confident | 90.2 | Very high | 99 Ų | 99 | 72.5 Ų | 72.5 | 53% | 0.529 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -59.2 | -32 | -179.6 | -77.3 | -24.8 | 0 | 0 | 0 | 112.4 | L532 D533 L538 H539 | L532-N536 PolarHBondContact O-N 3.3Å; L532-N536 PolarHBondContact O-ND2 3.41Å; L532-N536 PolarHBondContact O-OD1 2.91Å; D533-N536 PolarHBondContact O-N 2.93Å; N536-L538 PolarHBondContact O-N 3.31Å; N536-H539 PolarHBondContact O-N 3.25Å; N536-H539 VanDerWaalsContact O-N 3.1Å; N536-H539 PolarHBondContact O-ND1 3.03Å |
| 537 | V | 79.3 | Confident | 90.3 | Very high | 103 Ų | 103 | 75.9 Ų | 75.9 | 62% | 0.624 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.1 | 175 | -178.1 | 0 | 0 | 0 | 0 | 112.5 | I535 H539 | I535-V537 PolarHBondContact O-N 3.49Å; V537-H539 VanDerWaalsContact C-N 3.33Å; V537-H539 PolarHBondContact O-CD2 3.45Å |
| 538 | L | 79.5 | Confident | 90.4 | Very high | 69 Ų | 69 | 77.5 Ų | 77.5 | 36% | 0.361 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -13.4 | 179 | -54.9 | 175.5 | 0 | 0 | 0 | 113.1 | I535 N536 K540 L653 | I535-L538 HydrophobicContact CB-CD1 4.48Å; I535-L538 VanDerWaalsContact O-CB 3.25Å; I535-L538 WeakPolarHBondContact O-CB 3.31Å; I535-L538 PolarHBondContact O-N 3.25Å; N536-L538 PolarHBondContact O-N 3.31Å; L538-K540 HydrophobicContact CB-CG 4.15Å; L538-K540 PolarHBondContact O-N 2.96Å; L538-K540 VanDerWaalsContact O-N 3.13Å; L538-L653 HydrophobicContact CD1-CD1 4.33Å |
| 539 | H | 85.6 | Confident | 90.5 | Very high | 166 Ų | 166 | 79 Ų | 79 | 77% | 0.769 | 41% | 0.409 | S | S | * | . | trans | 47.1 | 40.4 | -179.2 | -59.8 | -67.6 | 0 | 0 | 0 | 114.3 | N536 V537 | N536-H539 PolarHBondContact O-N 3.25Å; N536-H539 VanDerWaalsContact O-N 3.1Å; N536-H539 PolarHBondContact O-ND1 3.03Å; V537-H539 VanDerWaalsContact C-N 3.33Å; V537-H539 PolarHBondContact O-CD2 3.45Å | ||
| 540 | K | 86 | Confident | 90.6 | Very high | 71 Ų | 71 | 83.7 Ų | 83.7 | 31% | 0.309 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -75.1 | 132.6 | 179.3 | -78.1 | -76.1 | -172.1 | 168.3 | 0 | 111 | L538 D626 L653 | L538-K540 HydrophobicContact CB-CG 4.15Å; L538-K540 PolarHBondContact O-N 2.96Å; L538-K540 VanDerWaalsContact O-N 3.13Å; K540-D626 IonicContact NZ-OD1 3.91Å; K540-D626 PolarHBondContact NZ-OD1 3.38Å; K540-D626 IonicContact NZ-OD2 3.07Å; K540-D626 PolarHBondContact NZ-OD2 3.25Å; K540-L653 HydrophobicContact CB-CD2 3.81Å; K540-L653 HydrophobicContact CG-CD2 3.95Å |
| 541 | P | 93.9 | Very high | 90.8 | Very high | 96 Ų | 96 | 87.6 Ų | 87.6 | 62% | 0.623 | 45% | 0.447 | S | S | * | . | P | Polyproline II helix | trans | -68.2 | 155 | 168.7 | 30.6 | -34.1 | 0 | 0 | 0 | 110.4 | Y543 | P541-Y543 PolarHBondContact O-N 2.95Š|
| 542 | P | 97 | Very high | 91.2 | Very high | 126 Ų | 126 | 87.2 Ų | 87.2 | 82% | 0.818 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 138.1 | 169 | -22.7 | 33.5 | 0 | 0 | 0 | 111.3 | ||
| 543 | Y | 97.9 | Very high | 91.5 | Very high | 30 Ų | 30 | 91 Ų | 91 | 12% | 0.118 | 47% | 0.465 | C | S | . | . | P | Polyproline II helix | trans | -74.4 | 149.2 | 178.1 | -65.6 | -79.3 | 0 | 0 | 0 | 112.5 | P541 H545 A625 D626 H629 L653 P655 | P541-Y543 PolarHBondContact O-N 2.95Å; Y543-H545 PolarHBondContact O-N 3.27Å; Y543-A625 HydrophobicContact CE2-CB 4.45Å; Y543-A625 WeakPolarHBondContact OH-CB 3.3Å; Y543-D626 PolarHBondContact OH-N 3.17Å; Y543-D626 PolarHBondContact OH-OD1 3.48Å; Y543-D626 VanDerWaalsContact OH-OD1 3.13Å; Y543-H629 HydrophobicContact CD1-CB 3.75Å; Y543-H629 AromaticContact CD1-CD2 3.33Å; Y543-H629 WeakPolarHBondContact CD1-CD2 3.43Å; Y543-H629 AromaticContact CD1-CG 3.31Å; Y543-H629 AromaticContact CD1-ND1 3.79Å; Y543-H629 AromaticContact CD1-NE2 3.81Å; Y543-H629 HydrophobicContact CE1-CB 3.83Å; Y543-H629 AromaticContact CE1-CD2 3.92Å; Y543-H629 AromaticContact CE1-CG 3.88Å; Y543-H629 HydrophobicContact CG-CB 4.36Å; Y543-H629 AromaticContact CG-CG 3.92Å; Y543-H629 AromaticContact CG-ND1 3.97Å; Y543-L653 VanDerWaalsContact CD2-O 3.25Å; Y543-L653 WeakPolarHBondContact CD2-O 3.46Å; Y543-L653 HydrophobicContact CE2-CB 4.24Å; Y543-L653 VanDerWaalsContact CE2-O 3.27Å; Y543-L653 WeakPolarHBondContact CE2-O 3.28Å; Y543-P655 HydrophobicContact CD2-CB 4.29Å; Y543-P655 HydrophobicContact CE2-CB 4.19Å |
| 544 | E | 97.9 | Very high | 92.1 | Very high | 175 Ų | 175 | 88.4 Ų | 88.4 | 82% | 0.818 | 46% | 0.462 | S | S | * | . | trans | -85.9 | 105 | 173.6 | -70.9 | -168.4 | 171.7 | 0 | 0 | 111.2 | H629 | E544-H629 PolarHBondContact O-CE1 3.19Å; E544-H629 VanDerWaalsContact O-CE1 3.25Å | ||
| 545 | H | 98.2 | Very high | 93 | Very high | 43 Ų | 43 | 85.3 Ų | 85.3 | 20% | 0.199 | 45% | 0.447 | C | S | . | . | trans | -82.3 | 144.8 | -176.5 | -53.4 | 139.8 | 0 | 0 | 0 | 113.8 | Y543 R654 P657 | Y543-H545 PolarHBondContact O-N 3.27Å; H545-R654 PolarHBondContact NE2-O 2.87Å; H545-P657 HydrophobicContact CB-CB 3.65Å; H545-P657 HydrophobicContact CB-CG 3.92Å; H545-P657 WeakPolarHBondContact ND1-CA 3.25Å | ||
| 546 | P | 96.2 | Very high | 93.6 | Very high | 32 Ų | 32 | 84.8 Ų | 84.8 | 21% | 0.208 | 44% | 0.444 | C | S | . | . | trans | -54.9 | 143.8 | 169.8 | -22.6 | 32.6 | 0 | 0 | 0 | 111.9 | W1024 | P546-W1024 WeakPolarHBondContact O-CH2 3.36Š| ||
| 547 | K | 95.6 | Very high | 94.4 | Very high | 134 Ų | 134 | 82.3 Ų | 82.3 | 58% | 0.583 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -112 | -12 | 177.5 | -57.8 | -60.1 | -179.3 | -177.7 | 0 | 113.6 | Y1027 | K547-Y1027 HydrophobicContact CD-CE1 4.18Å; K547-Y1027 PolarHBondContact NZ-OH 3.4Å |
| 548 | D | 97.1 | Very high | 95.3 | Very high | 60 Ų | 60 | 77.4 Ų | 77.4 | 32% | 0.321 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -144 | 176.1 | 176.3 | 65.7 | 39 | 0 | 0 | 0 | 109.3 | K550 | D548-K550 VanDerWaalsContact OD1-CB 3.25Å; D548-K550 WeakPolarHBondContact OD1-CB 3.32Å; D548-K550 WeakPolarHBondContact OD1-CG 3.36Å; D548-K550 PolarHBondContact OD1-N 2.95Å; D548-K550 WeakPolarHBondContact OD2-CD 3.34Å; D548-K550 VanDerWaalsContact OD2-CE 3.31Å; D548-K550 WeakPolarHBondContact OD2-CE 3.23Å; D548-K550 IonicContact OD2-NZ 2.74Å; D548-K550 PolarHBondContact OD2-NZ 3.45Å |
| 549 | L | 98 | Very high | 96.2 | Very high | 33 Ų | 33 | 74.1 Ų | 74.1 | 17% | 0.173 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -97.9 | 17 | -178.6 | -56.4 | -179.3 | 0 | 0 | 0 | 112.8 | S552 D553 G554 L556 W1024 | L549-S552 CarbonylContact O-C 3.59Å; L549-S552 PolarHBondContact O-N 3.32Å; L549-S552 PolarHBondContact O-OG 3.13Å; L549-D553 PolarHBondContact O-N 3.14Å; L549-G554 WeakPolarHBondContact O-CA 3.4Å; L549-G554 PolarHBondContact O-N 3.4Å; L549-L556 HydrophobicContact CD2-CD1 3.79Å; L549-W1024 HydrophobicContact CD2-CD2 4.24Å; L549-W1024 VanDerWaalsContact CD2-CE2 3.47Å; L549-W1024 HydrophobicContact CD2-CH2 4.47Å; L549-W1024 HydrophobicContact CD2-CZ2 3.6Å; L549-W1024 HydrophobicContact CG-CZ2 4.14Å |
| 550 | K | 96.1 | Very high | 96.9 | Very high | 159 Ų | 159 | 66.2 Ų | 66.2 | 69% | 0.691 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -67.1 | -42.1 | -173 | -68.6 | 178 | -171.6 | 130.6 | 0 | 112.4 | D548 S552 D553 | D548-K550 VanDerWaalsContact OD1-CB 3.25Å; D548-K550 WeakPolarHBondContact OD1-CB 3.32Å; D548-K550 WeakPolarHBondContact OD1-CG 3.36Å; D548-K550 PolarHBondContact OD1-N 2.95Å; D548-K550 WeakPolarHBondContact OD2-CD 3.34Å; D548-K550 VanDerWaalsContact OD2-CE 3.31Å; D548-K550 WeakPolarHBondContact OD2-CE 3.23Å; D548-K550 IonicContact OD2-NZ 2.74Å; D548-K550 PolarHBondContact OD2-NZ 3.45Å; K550-S552 PolarHBondContact O-N 3.41Å; K550-D553 PolarHBondContact O-N 3.37Å |
| 551 | L | 95.3 | Very high | 97.5 | Very high | 151 Ų | 151 | 62.9 Ų | 62.9 | 79% | 0.791 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -71.7 | -10 | -179.6 | -70.2 | 171.3 | 0 | 0 | 0 | 113.4 | R557 | L551-R557 PolarHBondContact O-NH2 3.48Š|
| 552 | S | 97.3 | Very high | 97.7 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.014 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -115.8 | 21.8 | 178.6 | 55.8 | 0 | 0 | 0 | 0 | 112.4 | L549 K550 G554 R555 H634 | L549-S552 CarbonylContact O-C 3.59Å; L549-S552 PolarHBondContact O-N 3.32Å; L549-S552 PolarHBondContact O-OG 3.13Å; K550-S552 PolarHBondContact O-N 3.41Å; S552-G554 VanDerWaalsContact C-N 3.26Å; S552-G554 PolarHBondContact O-N 2.98Å; S552-R555 WeakPolarHBondContact CB-O 3.45Å; S552-R555 VanDerWaalsContact O-CB 3.29Å; S552-R555 WeakPolarHBondContact O-CB 3.42Å; S552-R555 PolarHBondContact O-N 3.3Å; S552-R555 PolarHBondContact OG-O 3.22Å; S552-H634 PolarHBondContact OG-CE1 3.23Å |
| 553 | D | 97.2 | Very high | 97.8 | Very high | 133 Ų | 133 | 53 Ų | 53 | 71% | 0.711 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.6 | 37.5 | 177.3 | -56.1 | -51.3 | 0 | 0 | 0 | 113.5 | L549 K550 R555 | L549-D553 PolarHBondContact O-N 3.14Å; K550-D553 PolarHBondContact O-N 3.37Å; D553-R555 PolarHBondContact O-N 3.47Å |
| 554 | G | 97.2 | Very high | 97.8 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L549 S552 | L549-G554 WeakPolarHBondContact O-CA 3.4Å; L549-G554 PolarHBondContact O-N 3.4Å; S552-G554 VanDerWaalsContact C-N 3.26Å; S552-G554 PolarHBondContact O-N 2.98Å |
| 555 | R | 98.7 | Very high | 97.8 | Very high | 52 Ų | 52 | 43.8 Ų | 43.8 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | trans | -93.7 | 136.3 | 179.9 | -57 | -177.9 | -66.8 | 153.9 | 2.4 | 111.6 | S552 D553 R557 P583 K585 E587 | S552-R555 WeakPolarHBondContact CB-O 3.45Å; S552-R555 VanDerWaalsContact O-CB 3.29Å; S552-R555 WeakPolarHBondContact O-CB 3.42Å; S552-R555 PolarHBondContact O-N 3.3Å; S552-R555 PolarHBondContact OG-O 3.22Å; D553-R555 PolarHBondContact O-N 3.47Å; R555-R557 PolarHBondContact O-N 3.43Å; R555-P583 WeakPolarHBondContact CD-O 3.16Å; R555-K585 CarbonylContact C-O 3.43Å; R555-K585 WeakPolarHBondContact CA-O 3.48Å; R555-E587 HydrophobicContact CB-CB 4.33Å; R555-E587 VanDerWaalsContact CZ-CD 3.47Å; R555-E587 IonicContact CZ-OE1 2.81Å; R555-E587 IonicContact CZ-OE2 2.73Å; R555-E587 IonicContact NH1-OE1 3.16Å; R555-E587 IonicContact NH2-OE1 2.85Å; R555-E587 PolarHBondContact NH2-OE1 2.65Å; R555-E587 IonicContact NH2-OE2 3.46Å; R555-E587 PolarHBondContact NH2-OE2 3.4Å; R555-E587 VanDerWaalsContact NH2-OE2 3.16Å | ||
| 556 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 112.5 | 171.3 | -169.6 | 68.2 | 0 | 0 | 0 | 109.7 | L549 V558 K585 F586 E587 H634 I635 W1024 | L549-L556 HydrophobicContact CD2-CD1 3.79Å; L556-V558 HydrophobicContact CD2-CG2 4.44Å; L556-V558 HydrophobicContact CG-CG2 4.38Å; L556-V558 PolarHBondContact O-N 2.92Å; L556-K585 PolarHBondContact N-O 3.49Å; L556-F586 HydrophobicContact CB-CD1 4.07Å; L556-F586 HydrophobicContact CB-CE1 4.21Å; L556-F586 HydrophobicContact CD2-CD1 4.36Å; L556-F586 HydrophobicContact CD2-CE1 3.86Å; L556-F586 WeakPolarHBondContact O-CA 3.47Å; L556-E587 PolarHBondContact O-N 3.23Å; L556-H634 HydrophobicContact CD1-CB 3.47Å; L556-H634 VanDerWaalsContact CD1-CB 3.47Å; L556-H634 HydrophobicContact CG-CB 4.33Å; L556-I635 HydrophobicContact CD2-CD1 3.83Å; L556-I635 HydrophobicContact CD2-CG1 4.42Å; L556-W1024 HydrophobicContact CD1-CB 3.8Å; L556-W1024 HydrophobicContact CD1-CD2 3.67Å; L556-W1024 HydrophobicContact CD1-CE3 4.07Å; L556-W1024 HydrophobicContact CD1-CG 3.51Å; L556-W1024 HydrophobicContact CD2-CB 4.14Å |
| 557 | R | 98.9 | Very high | 97.8 | Very high | 48 Ų | 48 | 43.9 Ų | 43.9 | 18% | 0.181 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 115.9 | 173.6 | -59.2 | -174.2 | 169.8 | 149.3 | 10.7 | 111.4 | L551 R555 E587 F589 D631 G632 I633 H634 I635 | L551-R557 PolarHBondContact O-NH2 3.48Å; R555-R557 PolarHBondContact O-N 3.43Å; R557-E587 VanDerWaalsContact CA-O 3.29Å; R557-E587 WeakPolarHBondContact CA-O 3.41Å; R557-E587 HydrophobicContact CG-CB 4.15Å; R557-E587 IonicContact CZ-OE2 3.69Å; R557-E587 IonicContact NE-OE2 3.13Å; R557-E587 PolarHBondContact NE-OE2 3.47Å; R557-E587 IonicContact NH2-OE2 3.51Å; R557-F589 HydrophobicContact CB-CD2 4.29Å; R557-F589 HydrophobicContact CB-CE2 3.91Å; R557-F589 HydrophobicContact CG-CE2 3.82Å; R557-D631 WeakPolarHBondContact CD-O 3.46Å; R557-D631 PolarHBondContact NH1-O 3.02Å; R557-G632 WeakPolarHBondContact CD-O 3.37Å; R557-I633 HydrophobicContact CB-CD1 4.15Å; R557-H634 VanDerWaalsContact CB-ND1 3.34Å; R557-H634 WeakPolarHBondContact CB-ND1 3.45Å; R557-H634 PolarHBondContact N-ND1 2.98Å; R557-H634 PolarHBondContact O-N 2.89Å; R557-I635 PolarHBondContact O-N 3.39Å |
| 558 | V | 99 | Very high | 97.9 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 125.8 | 178.7 | -178.7 | 0 | 0 | 0 | 0 | 109.2 | L556 Y560 F586 E587 F589 I635 V637 Y1020 | L556-V558 HydrophobicContact CD2-CG2 4.44Å; L556-V558 HydrophobicContact CG-CG2 4.38Å; L556-V558 PolarHBondContact O-N 2.92Å; V558-Y560 HydrophobicContact CG1-CD2 4.46Å; V558-Y560 HydrophobicContact CG1-CE1 4.4Å; V558-Y560 HydrophobicContact CG1-CE2 3.98Å; V558-F586 HydrophobicContact CG2-CD1 4.03Å; V558-E587 PolarHBondContact N-O 3.45Å; V558-F589 PolarHBondContact O-N 3.21Å; V558-I635 CarbonylContact C-O 3.59Å; V558-I635 WeakPolarHBondContact CA-O 3.45Å; V558-I635 HydrophobicContact CG2-CB 4.5Å; V558-V637 HydrophobicContact CG1-CG2 3.98Å; V558-Y1020 HydrophobicContact CG1-CD2 4.42Å; V558-Y1020 HydrophobicContact CG1-CE2 3.86Å; V558-Y1020 HydrophobicContact CG2-CD2 3.98Å; V558-Y1020 HydrophobicContact CG2-CE2 4.24Å |
| 559 | G | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 112.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F589 I635 L636 V637 | G559-F589 CarbonylContact C-O 3.57Å; G559-F589 VanDerWaalsContact CA-O 3.29Å; G559-F589 WeakPolarHBondContact CA-O 3.5Å; G559-I635 PolarHBondContact N-O 3.4Å; G559-L636 CarbonylContact O-C 3.6Å; G559-V637 PolarHBondContact O-N 3.44Å |
| 560 | Y | 99 | Very high | 97.9 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 115.3 | 172.7 | -64.9 | -76.2 | 0 | 0 | 0 | 110.3 | V558 H581 V588 F589 Y591 V637 M639 W662 Y1020 | V558-Y560 HydrophobicContact CG1-CD2 4.46Å; V558-Y560 HydrophobicContact CG1-CE1 4.4Å; V558-Y560 HydrophobicContact CG1-CE2 3.98Å; Y560-H581 AromaticContact CE2-NE2 3.77Å; Y560-H581 AromaticContact CZ-NE2 3.67Å; Y560-H581 PolarHBondContact OH-NE2 3.29Å; Y560-V588 HydrophobicContact CD2-CG1 3.83Å; Y560-V588 HydrophobicContact CE2-CG1 3.85Å; Y560-F589 PolarHBondContact N-O 2.98Å; Y560-Y591 PolarHBondContact O-N 3.41Å; Y560-V637 HydrophobicContact CD1-CB 3.81Å; Y560-V637 HydrophobicContact CD1-CG1 3.96Å; Y560-V637 HydrophobicContact CD1-CG2 4.11Å; Y560-V637 HydrophobicContact CE1-CB 4.22Å; Y560-V637 HydrophobicContact CE1-CG1 4.2Å; Y560-V637 HydrophobicContact CE1-CG2 4.08Å; Y560-M639 HydrophobicContact CD1-SD 3.84Å; Y560-M639 HydrophobicContact CG-SD 4.28Å; Y560-W662 AromaticContact CD1-CE3 3.94Å; Y560-W662 HydrophobicContact CD1-CE3 3.94Å; Y560-W662 AromaticContact CD1-CZ3 3.73Å; Y560-W662 HydrophobicContact CD1-CZ3 3.73Å; Y560-W662 AromaticContact CE1-CE3 3.73Å; Y560-W662 HydrophobicContact CE1-CE3 3.73Å; Y560-W662 HydrophobicContact CE1-CH2 4.27Å; Y560-W662 AromaticContact CE1-CZ3 3.43Å; Y560-W662 HydrophobicContact CE1-CZ3 3.43Å; Y560-W662 VanDerWaalsContact CE1-CZ3 3.43Å; Y560-Y1020 WeakPolarHBondContact CE1-OH 3.42Å; Y560-Y1020 PolarHBondContact OH-OH 3.4Å |
| 561 | V | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.2 | 179.5 | -169.6 | 0 | 0 | 0 | 0 | 109.5 | Y591 L593 L636 V637 M639 L650 F651 | V561-Y591 WeakPolarHBondContact CA-O 3.49Å; V561-Y591 HydrophobicContact CG2-CD2 4.09Å; V561-Y591 HydrophobicContact CG2-CG 4.43Å; V561-L593 HydrophobicContact CG1-CD1 3.98Å; V561-L593 HydrophobicContact CG1-CD2 3.69Å; V561-L593 HydrophobicContact CG1-CG 3.9Å; V561-L636 HydrophobicContact CG2-CD1 3.54Å; V561-L636 HydrophobicContact CG2-CD2 4.27Å; V561-L636 HydrophobicContact CG2-CG 3.8Å; V561-V637 PolarHBondContact N-O 3.26Å; V561-M639 WeakPolarHBondContact O-CB 3.39Å; V561-M639 PolarHBondContact O-N 3.25Å; V561-M639 VanDerWaalsContact O-N 3.14Å; V561-L650 HydrophobicContact CG1-CD1 4.46Å; V561-F651 HydrophobicContact CB-CE2 3.93Å; V561-F651 HydrophobicContact CB-CZ 3.68Å; V561-F651 HydrophobicContact CG1-CE2 4.04Å; V561-F651 HydrophobicContact CG1-CZ 4.31Å; V561-F651 HydrophobicContact CG2-CE1 4.48Å; V561-F651 HydrophobicContact CG2-CE2 4.11Å; V561-F651 HydrophobicContact CG2-CZ 3.6Å |
| 562 | S | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 140.3 | -178.7 | -166.5 | 0 | 0 | 0 | 0 | 112.9 | D564 Y591 A592 L593 N640 | S562-D564 WeakPolarHBondContact OG-CB 3.26Å; S562-D564 PolarHBondContact OG-N 3.04Å; S562-Y591 PolarHBondContact N-O 3.35Å; S562-A592 CarbonylContact O-C 3.6Å; S562-A592 WeakPolarHBondContact O-CA 3.4Å; S562-L593 PolarHBondContact O-N 3.49Å; S562-N640 VanDerWaalsContact CA-OD1 3.3Å; S562-N640 WeakPolarHBondContact CA-OD1 3.46Å |
| 563 | S | 98.2 | Very high | 98.2 | Very high | 14 Ų | 14 | 25.5 Ų | 25.5 | 10% | 0.098 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -77.7 | -1.8 | 161.2 | 60.1 | 0 | 0 | 0 | 0 | 113.6 | S594 N640 K644 | S563-S594 WeakPolarHBondContact O-CB 3.38Å; S563-S594 PolarHBondContact O-OG 3.27Å; S563-N640 PolarHBondContact N-OD1 3.4Å; S563-N640 VanDerWaalsContact N-OD1 3.15Å; S563-N640 PolarHBondContact OG-ND2 3.29Å; S563-K644 PolarHBondContact OG-O 2.92Å |
| 564 | D | 98.4 | Very high | 98.3 | Very high | 12 Ų | 12 | 19.1 Ų | 19.1 | 6% | 0.064 | 11% | 0.108 | C | C | . | . | trans | -114.7 | 10.7 | -161.5 | -57.1 | -17 | 0 | 0 | 0 | 113.1 | S562 G566 H568 T570 S571 | S562-D564 WeakPolarHBondContact OG-CB 3.26Å; S562-D564 PolarHBondContact OG-N 3.04Å; D564-G566 PolarHBondContact O-N 3.4Å; D564-H568 HydrophobicContact CB-CB 3.85Å; D564-H568 WeakPolarHBondContact CB-ND1 3.48Å; D564-H568 VanDerWaalsContact CG-CE1 3.47Å; D564-H568 IonicContact OD1-CE1 2.86Å; D564-H568 IonicContact OD1-ND1 3.88Å; D564-H568 IonicContact OD2-CE1 3.6Å; D564-H568 PolarHBondContact OD2-CE1 3.38Å; D564-H568 IonicContact OD2-ND1 3.27Å; D564-H568 PolarHBondContact OD2-ND1 3.14Å; D564-H568 VanDerWaalsContact OD2-ND1 3.13Å; D564-T570 HydrophobicContact CB-CG2 4.18Å; D564-T570 PolarHBondContact OD2-OG1 3.49Å; D564-S571 PolarHBondContact O-OG 3Å | ||
| 565 | F | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | -69 | 80.2 | 169.1 | -62 | -46.6 | 0 | 0 | 0 | 110.4 | M574 C590 A592 R602 V605 F612 M639 | F565-M574 HydrophobicContact CE1-CE 4Å; F565-M574 HydrophobicContact CE1-SD 4.16Å; F565-C590 HydrophobicContact CE2-CB 3.96Å; F565-C590 HydrophobicContact CZ-CB 4.11Å; F565-A592 HydrophobicContact CD2-CB 4.08Å; F565-R602 WeakPolarHBondContact O-CD 3.33Å; F565-R602 PolarHBondContact O-NH1 2.85Å; F565-V605 HydrophobicContact CD1-CG1 3.97Å; F565-V605 HydrophobicContact CD1-CG2 4.35Å; F565-V605 HydrophobicContact CE1-CG1 4.18Å; F565-V605 HydrophobicContact CG-CG1 4.35Å; F565-F612 HydrophobicContact CB-CZ 4.39Å; F565-F612 HydrophobicContact CD2-CE2 4.26Å; F565-F612 HydrophobicContact CD2-CZ 4.27Å; F565-F612 HydrophobicContact CG-CE2 4.48Å; F565-M639 HydrophobicContact CE1-SD 4.48Å; F565-M639 HydrophobicContact CZ-SD 4.38Å |
| 566 | G | 97.5 | Very high | 98.4 | Very high | 5 Ų | 5 | 15 Ų | 15 | 5% | 0.052 | 8% | 0.079 | C | C | . | . | S | Bend | trans | 176.8 | -157.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | D564 H568 S571 D597 F601 | D564-G566 PolarHBondContact O-N 3.4Å; G566-H568 PolarHBondContact O-N 3.2Å; G566-S571 PolarHBondContact N-OG 3.22Å; G566-S571 WeakPolarHBondContact O-CB 3.31Å; G566-S571 PolarHBondContact O-OG 2.92Å; G566-D597 WeakPolarHBondContact CA-OD2 3.5Å; G566-F601 WeakPolarHBondContact O-CB 3.42Å |
| 567 | N | 97.3 | Very high | 98.4 | Very high | 73 Ų | 73 | 15 Ų | 15 | 39% | 0.39 | 8% | 0.079 | S | C | . | . | S | Bend | trans | -75.9 | 72.5 | 175.7 | -174.3 | 18.1 | 0 | 0 | 0 | 112.1 | H572 D597 T599 F601 | N567-H572 PolarHBondContact OD1-CE1 3.13Å; N567-H572 VanDerWaalsContact OD1-CE1 3.31Å; N567-H572 PolarHBondContact OD1-NE2 3.4Å; N567-D597 PolarHBondContact N-OD2 2.93Å; N567-T599 HydrophobicContact CB-CG2 3.82Å; N567-T599 PolarHBondContact N-OG1 3.29Å; N567-F601 HydrophobicContact CB-CD2 3.78Å; N567-F601 HydrophobicContact CB-CE2 3.92Å |
| 568 | H | 97.2 | Very high | 98.4 | Very high | 77 Ų | 77 | 12.8 Ų | 12.8 | 36% | 0.356 | 7% | 0.071 | S | C | . | . | S | Bend | trans | -134.9 | 150.5 | 178.2 | -170.4 | -96.1 | 0 | 0 | 0 | 109.7 | D564 G566 T570 S571 H572 | D564-H568 HydrophobicContact CB-CB 3.85Å; D564-H568 WeakPolarHBondContact CB-ND1 3.48Å; D564-H568 VanDerWaalsContact CG-CE1 3.47Å; D564-H568 IonicContact OD1-CE1 2.86Å; D564-H568 IonicContact OD1-ND1 3.88Å; D564-H568 IonicContact OD2-CE1 3.6Å; D564-H568 PolarHBondContact OD2-CE1 3.38Å; D564-H568 IonicContact OD2-ND1 3.27Å; D564-H568 PolarHBondContact OD2-ND1 3.14Å; D564-H568 VanDerWaalsContact OD2-ND1 3.13Å; G566-H568 PolarHBondContact O-N 3.2Å; H568-T570 PolarHBondContact ND1-N 3.07Å; H568-T570 PolarHBondContact ND1-OG1 3.16Å; H568-T570 PolarHBondContact O-N 3.48Å; H568-S571 PolarHBondContact O-N 3.36Å; H568-H572 PolarHBondContact O-CD2 3.48Å; H568-H572 PolarHBondContact O-N 3.4Å |
| 569 | P | 96.6 | Very high | 98.3 | Very high | 54 Ų | 54 | 14.6 Ų | 14.6 | 35% | 0.351 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -45.8 | -41 | 177 | -34 | 37.5 | 0 | 0 | 0 | 114.3 | S571 H572 L573 T931 | P569-S571 PolarHBondContact O-N 2.54Å; P569-H572 WeakPolarHBondContact O-CA 3.31Å; P569-H572 WeakPolarHBondContact O-CB 3.36Å; P569-H572 PolarHBondContact O-N 2.92Å; P569-L573 VanDerWaalsContact O-CG 3.31Å; P569-L573 WeakPolarHBondContact O-CG 3.42Å; P569-L573 PolarHBondContact O-N 2.89Å; P569-L573 VanDerWaalsContact O-N 3.11Å; P569-T931 HydrophobicContact CB-CG2 4.26Å |
| 570 | T | 98.1 | Very high | 98.3 | Very high | 6 Ų | 6 | 17 Ų | 17 | 4% | 0.037 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -51.9 | -51.3 | 176.8 | -48.1 | 0 | 0 | 0 | 0 | 112.1 | D564 H568 H572 L573 M574 M639 | D564-T570 HydrophobicContact CB-CG2 4.18Å; D564-T570 PolarHBondContact OD2-OG1 3.49Å; H568-T570 PolarHBondContact ND1-N 3.07Å; H568-T570 PolarHBondContact ND1-OG1 3.16Å; H568-T570 PolarHBondContact O-N 3.48Å; T570-H572 PolarHBondContact O-N 3.37Å; T570-L573 WeakPolarHBondContact O-CB 3.5Å; T570-L573 PolarHBondContact O-N 3.18Å; T570-L573 VanDerWaalsContact O-N 3.13Å; T570-M574 HydrophobicContact CG2-CG 4.42Å; T570-M574 WeakPolarHBondContact O-CG 3.35Å; T570-M574 PolarHBondContact O-N 2.88Å; T570-M574 VanDerWaalsContact O-N 3.1Å; T570-M639 HydrophobicContact CG2-CE 3.43Å; T570-M639 VanDerWaalsContact CG2-CE 3.43Å |
| 571 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | 175.4 | -64.4 | 0 | 0 | 0 | 0 | 113 | D564 G566 H568 P569 L573 M574 Q575 | D564-S571 PolarHBondContact O-OG 3Å; G566-S571 PolarHBondContact N-OG 3.22Å; G566-S571 WeakPolarHBondContact O-CB 3.31Å; G566-S571 PolarHBondContact O-OG 2.92Å; H568-S571 PolarHBondContact O-N 3.36Å; P569-S571 PolarHBondContact O-N 2.54Å; S571-L573 PolarHBondContact O-N 3.48Å; S571-L573 VanDerWaalsContact O-N 3.09Å; S571-M574 PolarHBondContact O-N 3.32Å; S571-Q575 WeakPolarHBondContact O-CB 3.38Å; S571-Q575 VanDerWaalsContact O-CG 3.3Å; S571-Q575 WeakPolarHBondContact O-CG 3.29Å; S571-Q575 PolarHBondContact O-N 3.4Å |
| 572 | H | 98.5 | Very high | 98.3 | Very high | 9 Ų | 9 | 19.9 Ų | 19.9 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.9 | -18.8 | 177.2 | -52.2 | 166.5 | 0 | 0 | 0 | 112.4 | N567 H568 P569 T570 F601 D707 M711 K908 | N567-H572 PolarHBondContact OD1-CE1 3.13Å; N567-H572 VanDerWaalsContact OD1-CE1 3.31Å; N567-H572 PolarHBondContact OD1-NE2 3.4Å; H568-H572 PolarHBondContact O-CD2 3.48Å; H568-H572 PolarHBondContact O-N 3.4Å; P569-H572 WeakPolarHBondContact O-CA 3.31Å; P569-H572 WeakPolarHBondContact O-CB 3.36Å; P569-H572 PolarHBondContact O-N 2.92Å; T570-H572 PolarHBondContact O-N 3.37Å; H572-F601 AromaticContact CD2-CE1 3.65Å; H572-F601 AromaticContact CD2-CZ 3.64Å; H572-F601 AromaticContact NE2-CE2 3.72Å; H572-F601 AromaticContact NE2-CZ 3.63Å; H572-D707 VanDerWaalsContact O-CB 3.3Å; H572-D707 WeakPolarHBondContact O-CB 3.09Å; H572-D707 PolarHBondContact O-N 3.22Å; H572-D707 VanDerWaalsContact O-N 3.16Å; H572-M711 HydrophobicContact CB-CE 4.35Å; H572-M711 HydrophobicContact CB-SD 4.02Å; H572-K908 WeakPolarHBondContact ND1-CE 3.38Å |
| 573 | L | 98.7 | Very high | 98.3 | Very high | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.031 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -92.6 | -46.5 | 176.6 | -59.7 | 173.5 | 0 | 0 | 0 | 112.4 | P569 T570 S571 L663 F704 I705 G706 D707 T931 M934 | P569-L573 VanDerWaalsContact O-CG 3.31Å; P569-L573 WeakPolarHBondContact O-CG 3.42Å; P569-L573 PolarHBondContact O-N 2.89Å; P569-L573 VanDerWaalsContact O-N 3.11Å; T570-L573 WeakPolarHBondContact O-CB 3.5Å; T570-L573 PolarHBondContact O-N 3.18Å; T570-L573 VanDerWaalsContact O-N 3.13Å; S571-L573 PolarHBondContact O-N 3.48Å; S571-L573 VanDerWaalsContact O-N 3.09Å; L573-L663 HydrophobicContact CB-CD2 4.04Å; L573-L663 HydrophobicContact CD1-CD1 4.06Å; L573-L663 HydrophobicContact CD1-CD2 4.41Å; L573-L663 HydrophobicContact CD1-CG 4.26Å; L573-F704 HydrophobicContact CD1-CE1 3.89Å; L573-F704 HydrophobicContact CD1-CE2 4.45Å; L573-F704 HydrophobicContact CD1-CZ 3.62Å; L573-F704 HydrophobicContact CD2-CE1 3.82Å; L573-F704 HydrophobicContact CD2-CZ 4.38Å; L573-I705 WeakPolarHBondContact CB-O 3.29Å; L573-I705 WeakPolarHBondContact CD2-O 3.46Å; L573-G706 CarbonylContact O-C 3.52Å; L573-D707 PolarHBondContact O-N 2.97Å; L573-T931 HydrophobicContact CD2-CG2 4.06Å; L573-M934 HydrophobicContact CD2-CG 4.47Å |
| 574 | M | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -122.2 | 6.3 | -165.7 | 63.9 | 62.1 | 75.6 | 0 | 0 | 117 | F565 T570 S571 S576 I577 P578 M639 W662 L663 | F565-M574 HydrophobicContact CE1-CE 4Å; F565-M574 HydrophobicContact CE1-SD 4.16Å; T570-M574 HydrophobicContact CG2-CG 4.42Å; T570-M574 WeakPolarHBondContact O-CG 3.35Å; T570-M574 PolarHBondContact O-N 2.88Å; T570-M574 VanDerWaalsContact O-N 3.1Å; S571-M574 PolarHBondContact O-N 3.32Å; M574-S576 PolarHBondContact O-N 2.99Å; M574-I577 HydrophobicContact CB-CB 4.43Å; M574-I577 HydrophobicContact CB-CG1 3.83Å; M574-I577 WeakPolarHBondContact O-CB 3.26Å; M574-I577 WeakPolarHBondContact O-CG1 3.48Å; M574-I577 PolarHBondContact O-N 3.2Å; M574-P578 HydrophobicContact CE-CG 4.01Å; M574-P578 VanDerWaalsContact O-CD 3.3Å; M574-P578 WeakPolarHBondContact O-CD 3.03Å; M574-M639 HydrophobicContact CE-CE 3.64Å; M574-M639 HydrophobicContact CE-SD 4.07Å; M574-M639 HydrophobicContact CG-CE 3.47Å; M574-M639 VanDerWaalsContact CG-CE 3.47Å; M574-M639 HydrophobicContact SD-CE 3.67Å; M574-W662 HydrophobicContact CB-CH2 3.75Å; M574-W662 HydrophobicContact CB-CZ2 4.49Å; M574-W662 HydrophobicContact CB-CZ3 4.38Å; M574-W662 HydrophobicContact CE-CH2 4.37Å; M574-W662 HydrophobicContact CE-CZ3 4.05Å; M574-W662 HydrophobicContact CG-CH2 4.1Å; M574-W662 HydrophobicContact CG-CZ3 4.25Å; M574-L663 HydrophobicContact CB-CD2 3.8Å; M574-L663 HydrophobicContact CG-CD2 3.72Å |
| 575 | Q | 98.6 | Very high | 98.3 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 4% | 0.037 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56 | -23.7 | -175.4 | 63.1 | 176.8 | -36 | 0 | 0 | 115.1 | S571 F601 K604 V605 D707 M711 | S571-Q575 WeakPolarHBondContact O-CB 3.38Å; S571-Q575 VanDerWaalsContact O-CG 3.3Å; S571-Q575 WeakPolarHBondContact O-CG 3.29Å; S571-Q575 PolarHBondContact O-N 3.4Å; Q575-F601 VanDerWaalsContact OE1-CD1 3.29Å; Q575-K604 HydrophobicContact CB-CD 4.32Å; Q575-K604 HydrophobicContact CG-CD 4.06Å; Q575-K604 WeakPolarHBondContact O-CE 3.27Å; Q575-V605 HydrophobicContact CB-CG2 4.13Å; Q575-D707 VanDerWaalsContact CD-OD2 3.26Å; Q575-D707 HydrophobicContact CG-CB 4.12Å; Q575-D707 WeakPolarHBondContact CG-OD2 3.43Å; Q575-D707 PolarHBondContact NE2-OD2 2.97Å; Q575-M711 VanDerWaalsContact NE2-CG 3.27Å; Q575-M711 PolarHBondContact NE2-SD 2.75Å; Q575-M711 VanDerWaalsContact NE2-SD 3.42Å |
| 576 | S | 98.7 | Very high | 98.3 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -15.3 | 177 | -65 | 0 | 0 | 0 | 0 | 114.1 | M574 G579 M580 K604 D707 | M574-S576 PolarHBondContact O-N 2.99Å; S576-G579 PolarHBondContact O-N 2.98Å; S576-M580 WeakPolarHBondContact O-CB 3.28Å; S576-M580 VanDerWaalsContact O-CG 3.22Å; S576-M580 WeakPolarHBondContact O-CG 3.49Å; S576-M580 PolarHBondContact O-N 2.9Å; S576-K604 VanDerWaalsContact OG-CE 3.24Å; S576-K604 WeakPolarHBondContact OG-CE 3.33Å; S576-D707 WeakPolarHBondContact CB-OD1 3.34Å; S576-D707 PolarHBondContact OG-OD1 3.41Å; S576-D707 PolarHBondContact OG-OD2 3.01Å |
| 577 | I | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -63.7 | -46.1 | -176.3 | -55.9 | -59.9 | 0 | 0 | 0 | 111.8 | M574 G579 M580 H581 W662 I705 T1009 Y1012 T1013 L1016 | M574-I577 HydrophobicContact CB-CB 4.43Å; M574-I577 HydrophobicContact CB-CG1 3.83Å; M574-I577 WeakPolarHBondContact O-CB 3.26Å; M574-I577 WeakPolarHBondContact O-CG1 3.48Å; M574-I577 PolarHBondContact O-N 3.2Å; I577-G579 VanDerWaalsContact C-N 3.31Å; I577-G579 PolarHBondContact O-N 3.26Å; I577-M580 PolarHBondContact O-N 3.45Å; I577-H581 PolarHBondContact O-CD2 3.42Å; I577-H581 PolarHBondContact O-N 3.13Å; I577-W662 HydrophobicContact CG1-CH2 4.39Å; I577-W662 HydrophobicContact CG2-CH2 4.32Å; I577-I705 HydrophobicContact CD1-CG1 4.45Å; I577-T1009 HydrophobicContact CD1-CG2 4.38Å; I577-Y1012 HydrophobicContact CD1-CD1 3.91Å; I577-T1013 VanDerWaalsContact CD1-OG1 3.23Å; I577-T1013 WeakPolarHBondContact CD1-OG1 3.35Å; I577-T1013 HydrophobicContact CG2-CG2 4.2Å; I577-L1016 HydrophobicContact CG2-CD2 4.24Å |
| 578 | P | 98.7 | Very high | 98.4 | Very high | 3 Ų | 3 | 30.4 Ų | 30.4 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -54 | -43.6 | 178.4 | -29.2 | 37.8 | 0 | 0 | 0 | 113.9 | M574 M580 V588 V605 A609 | M574-P578 HydrophobicContact CE-CG 4.01Å; M574-P578 VanDerWaalsContact O-CD 3.3Å; M574-P578 WeakPolarHBondContact O-CD 3.03Å; P578-M580 VanDerWaalsContact C-N 3.31Å; P578-M580 PolarHBondContact O-N 3.13Å; P578-V588 HydrophobicContact CB-CG1 4.08Å; P578-V605 HydrophobicContact CG-CG1 4.29Å; P578-A609 HydrophobicContact CB-CB 4.31Å |
| 579 | G | 98.4 | Very high | 98.5 | Very high | 38 Ų | 38 | 27 Ų | 27 | 39% | 0.392 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -77.6 | -10.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | S576 I577 | S576-G579 PolarHBondContact O-N 2.98Å; I577-G579 VanDerWaalsContact C-N 3.31Å; I577-G579 PolarHBondContact O-N 3.26Å |
| 580 | M | 98.7 | Very high | 98.6 | Very high | 50 Ų | 50 | 24.4 Ų | 24.4 | 25% | 0.246 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -96.3 | -8.7 | -178.9 | -77.1 | -176.9 | 178.3 | 0 | 0 | 113.6 | S576 I577 P578 T1009 K1010 T1013 | S576-M580 WeakPolarHBondContact O-CB 3.28Å; S576-M580 VanDerWaalsContact O-CG 3.22Å; S576-M580 WeakPolarHBondContact O-CG 3.49Å; S576-M580 PolarHBondContact O-N 2.9Å; I577-M580 PolarHBondContact O-N 3.45Å; P578-M580 VanDerWaalsContact C-N 3.31Å; P578-M580 PolarHBondContact O-N 3.13Å; M580-T1009 WeakPolarHBondContact CE-OG1 3.15Å; M580-T1009 VanDerWaalsContact SD-C 3.58Å; M580-T1009 PolarHBondContact SD-OG1 3.17Å; M580-K1010 HydrophobicContact CB-CD 4.21Å; M580-K1010 HydrophobicContact CG-CD 4.3Å; M580-K1010 PolarHBondContact O-NZ 2.92Å; M580-K1010 HydrophobicContact SD-CB 4.02Å; M580-K1010 HydrophobicContact SD-CD 4.41Å; M580-K1010 PolarHBondContact SD-N 3.25Å; M580-T1013 HydrophobicContact CB-CG2 4.01Å |
| 581 | H | 98.8 | Very high | 98.7 | Very high | 12 Ų | 12 | 24.1 Ų | 24.1 | 6% | 0.056 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -61 | 143.3 | 174.8 | -87.8 | -65.6 | 0 | 0 | 0 | 111.8 | Y560 I577 P583 F586 V588 E1017 | Y560-H581 AromaticContact CE2-NE2 3.77Å; Y560-H581 AromaticContact CZ-NE2 3.67Å; Y560-H581 PolarHBondContact OH-NE2 3.29Å; I577-H581 PolarHBondContact O-CD2 3.42Å; I577-H581 PolarHBondContact O-N 3.13Å; H581-P583 VanDerWaalsContact O-CD 3.22Å; H581-P583 WeakPolarHBondContact O-CD 3.34Å; H581-F586 HydrophobicContact CB-CB 4.26Å; H581-V588 HydrophobicContact CB-CG2 3.56Å; H581-V588 WeakPolarHBondContact CD2-CG2 3.46Å; H581-E1017 WeakPolarHBondContact CA-OE1 3.48Å; H581-E1017 IonicContact CG-OE1 2.65Å; H581-E1017 VanDerWaalsContact ND1-CG 3.31Å; H581-E1017 WeakPolarHBondContact ND1-CG 3.36Å; H581-E1017 IonicContact ND1-OE1 2.63Å; H581-E1017 PolarHBondContact ND1-OE1 3.5Å |
| 582 | N | 98.6 | Very high | 98.7 | Very high | 49 Ų | 49 | 24.1 Ų | 24.1 | 26% | 0.262 | 13% | 0.134 | S | C | . | . | trans | -73.3 | 108.7 | 175.5 | 179.2 | 6.6 | 0 | 0 | 0 | 110 | D584 K585 F586 E1017 | N582-D584 PolarHBondContact O-N 3.3Å; N582-D584 VanDerWaalsContact O-N 3.11Å; N582-D584 WeakPolarHBondContact OD1-CB 3.33Å; N582-D584 PolarHBondContact OD1-N 3.27Å; N582-D584 VanDerWaalsContact OD1-N 3.1Å; N582-K585 PolarHBondContact O-N 3.34Å; N582-K585 VanDerWaalsContact O-N 3.09Å; N582-F586 HydrophobicContact CB-CD2 4.39Å; N582-F586 PolarHBondContact O-N 3.35Å; N582-E1017 PolarHBondContact N-OE1 2.99Å | ||
| 583 | P | 98.1 | Very high | 98.7 | Very high | 72 Ų | 72 | 24.6 Ų | 24.6 | 47% | 0.468 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.4 | -176.1 | 29.7 | -36.7 | 0 | 0 | 0 | 113.4 | R555 H581 K585 F586 | R555-P583 WeakPolarHBondContact CD-O 3.16Å; H581-P583 VanDerWaalsContact O-CD 3.22Å; H581-P583 WeakPolarHBondContact O-CD 3.34Å; P583-K585 VanDerWaalsContact C-N 3.29Å; P583-F586 WeakPolarHBondContact CA-O 3.49Å |
| 584 | D | 98.3 | Very high | 98.5 | Very high | 130 Ų | 130 | 25.5 Ų | 25.5 | 70% | 0.695 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -25 | 177.3 | -62.7 | -18.4 | 0 | 0 | 0 | 112.2 | N582 | N582-D584 PolarHBondContact O-N 3.3Å; N582-D584 VanDerWaalsContact O-N 3.11Å; N582-D584 WeakPolarHBondContact OD1-CB 3.33Å; N582-D584 PolarHBondContact OD1-N 3.27Å; N582-D584 VanDerWaalsContact OD1-N 3.1Å |
| 585 | K | 98.5 | Very high | 98.4 | Very high | 106 Ų | 106 | 29.4 Ų | 29.4 | 46% | 0.461 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | -18.3 | -177.1 | -67.9 | -167.1 | 178.1 | -172.6 | 0 | 113.7 | R555 L556 N582 P583 | R555-K585 CarbonylContact C-O 3.43Å; R555-K585 WeakPolarHBondContact CA-O 3.48Å; L556-K585 PolarHBondContact N-O 3.49Å; N582-K585 PolarHBondContact O-N 3.34Å; N582-K585 VanDerWaalsContact O-N 3.09Å; P583-K585 VanDerWaalsContact C-N 3.29Å |
| 586 | F | 98.8 | Very high | 98.4 | Very high | 1 Ų | 1 | 32.8 Ų | 32.8 | 0% | 0.004 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 146.5 | -175.2 | -63.3 | -92.2 | 0 | 0 | 0 | 110.9 | L556 V558 H581 N582 P583 E1017 Y1020 L1021 | L556-F586 HydrophobicContact CB-CD1 4.07Å; L556-F586 HydrophobicContact CB-CE1 4.21Å; L556-F586 HydrophobicContact CD2-CD1 4.36Å; L556-F586 HydrophobicContact CD2-CE1 3.86Å; L556-F586 WeakPolarHBondContact O-CA 3.47Å; V558-F586 HydrophobicContact CG2-CD1 4.03Å; H581-F586 HydrophobicContact CB-CB 4.26Å; N582-F586 HydrophobicContact CB-CD2 4.39Å; N582-F586 PolarHBondContact O-N 3.35Å; P583-F586 WeakPolarHBondContact CA-O 3.49Å; F586-E1017 HydrophobicContact CD1-CG 4.38Å; F586-E1017 HydrophobicContact CD2-CB 4.39Å; F586-E1017 HydrophobicContact CD2-CG 3.75Å; F586-E1017 WeakPolarHBondContact CD2-OE1 3.45Å; F586-E1017 HydrophobicContact CE1-CB 4.17Å; F586-E1017 HydrophobicContact CE1-CG 4Å; F586-E1017 HydrophobicContact CE2-CB 3.5Å; F586-E1017 VanDerWaalsContact CE2-CB 3.5Å; F586-E1017 VanDerWaalsContact CE2-CD 3.47Å; F586-E1017 HydrophobicContact CE2-CG 3.35Å; F586-E1017 HydrophobicContact CG-CG 4.27Å; F586-E1017 HydrophobicContact CZ-CB 3.37Å; F586-E1017 HydrophobicContact CZ-CG 3.49Å; F586-E1017 VanDerWaalsContact CZ-CG 3.49Å; F586-E1017 WeakPolarHBondContact CZ-O 3.5Å; F586-Y1020 HydrophobicContact CE1-CD2 4.26Å; F586-L1021 HydrophobicContact CZ-CD1 4.12Å; F586-L1021 HydrophobicContact CZ-CD2 4.31Å; F586-L1021 HydrophobicContact CZ-CG 3.88Å |
| 587 | E | 98.8 | Very high | 98.3 | Very high | 15 Ų | 15 | 36.5 Ų | 36.5 | 7% | 0.07 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 116.5 | 169.1 | -175.9 | 175.1 | -142.8 | 0 | 0 | 108.1 | R555 L556 R557 V558 F589 N610 H611 | R555-E587 HydrophobicContact CB-CB 4.33Å; R555-E587 VanDerWaalsContact CZ-CD 3.47Å; R555-E587 IonicContact CZ-OE1 2.81Å; R555-E587 IonicContact CZ-OE2 2.73Å; R555-E587 IonicContact NH1-OE1 3.16Å; R555-E587 IonicContact NH2-OE1 2.85Å; R555-E587 PolarHBondContact NH2-OE1 2.65Å; R555-E587 IonicContact NH2-OE2 3.46Å; R555-E587 PolarHBondContact NH2-OE2 3.4Å; R555-E587 VanDerWaalsContact NH2-OE2 3.16Å; L556-E587 PolarHBondContact O-N 3.23Å; R557-E587 VanDerWaalsContact CA-O 3.29Å; R557-E587 WeakPolarHBondContact CA-O 3.41Å; R557-E587 HydrophobicContact CG-CB 4.15Å; R557-E587 IonicContact CZ-OE2 3.69Å; R557-E587 IonicContact NE-OE2 3.13Å; R557-E587 PolarHBondContact NE-OE2 3.47Å; R557-E587 IonicContact NH2-OE2 3.51Å; V558-E587 PolarHBondContact N-O 3.45Å; E587-F589 HydrophobicContact CB-CE2 4.29Å; E587-F589 HydrophobicContact CG-CD2 4.43Å; E587-F589 HydrophobicContact CG-CE2 3.63Å; E587-F589 HydrophobicContact CG-CZ 4.18Å; E587-N610 WeakPolarHBondContact CA-OD1 3.49Å; E587-N610 HydrophobicContact CG-CB 4.19Å; E587-H611 IonicContact OE1-CD2 3.15Å; E587-H611 IonicContact OE1-CE1 3.15Å; E587-H611 IonicContact OE1-NE2 2.66Å; E587-H611 PolarHBondContact OE1-NE2 3.11Å |
| 588 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 126.7 | -168.2 | -177.2 | 0 | 0 | 0 | 0 | 111.1 | Y560 P578 H581 A609 N610 H611 | Y560-V588 HydrophobicContact CD2-CG1 3.83Å; Y560-V588 HydrophobicContact CE2-CG1 3.85Å; P578-V588 HydrophobicContact CB-CG1 4.08Å; H581-V588 HydrophobicContact CB-CG2 3.56Å; H581-V588 WeakPolarHBondContact CD2-CG2 3.46Å; V588-A609 HydrophobicContact CG1-CB 4.46Å; V588-N610 PolarHBondContact N-OD1 3.48Å; V588-N610 WeakPolarHBondContact O-CB 3.3Å; V588-N610 PolarHBondContact O-N 3.12Å; V588-N610 VanDerWaalsContact O-N 3.16Å; V588-H611 PolarHBondContact O-N 3.35Å |
| 589 | F | 98.9 | Very high | 98.2 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.9 | 173.2 | -64.8 | -107.2 | 0 | 0 | 0 | 108.9 | R557 V558 G559 Y560 E587 Y591 H611 I613 D631 I633 | R557-F589 HydrophobicContact CB-CD2 4.29Å; R557-F589 HydrophobicContact CB-CE2 3.91Å; R557-F589 HydrophobicContact CG-CE2 3.82Å; V558-F589 PolarHBondContact O-N 3.21Å; G559-F589 CarbonylContact C-O 3.57Å; G559-F589 VanDerWaalsContact CA-O 3.29Å; G559-F589 WeakPolarHBondContact CA-O 3.5Å; Y560-F589 PolarHBondContact N-O 2.98Å; E587-F589 HydrophobicContact CB-CE2 4.29Å; E587-F589 HydrophobicContact CG-CD2 4.43Å; E587-F589 HydrophobicContact CG-CE2 3.63Å; E587-F589 HydrophobicContact CG-CZ 4.18Å; F589-Y591 HydrophobicContact CB-CD2 4.41Å; F589-Y591 HydrophobicContact CB-CE2 3.67Å; F589-H611 CarbonylContact C-O 3.58Å; F589-H611 WeakPolarHBondContact CA-O 3.3Å; F589-H611 HydrophobicContact CD1-CB 3.46Å; F589-H611 VanDerWaalsContact CD1-CB 3.46Å; F589-H611 AromaticContact CD1-CD2 3.86Å; F589-H611 AromaticContact CD1-CG 3.82Å; F589-H611 HydrophobicContact CE1-CB 3.68Å; F589-H611 AromaticContact CE1-CD2 3.34Å; F589-H611 WeakPolarHBondContact CE1-CD2 3.47Å; F589-H611 AromaticContact CE1-CG 3.49Å; F589-H611 VanDerWaalsContact CE1-CG 3.49Å; F589-H611 AromaticContact CE2-CD2 3.72Å; F589-H611 HydrophobicContact CG-CB 4.06Å; F589-H611 HydrophobicContact CZ-CB 4.46Å; F589-H611 AromaticContact CZ-CD2 3.26Å; F589-H611 WeakPolarHBondContact CZ-CD2 3.38Å; F589-H611 AromaticContact CZ-CG 3.92Å; F589-H611 AromaticContact CZ-NE2 3.74Å; F589-I613 HydrophobicContact CB-CD1 4.38Å; F589-I613 HydrophobicContact CD1-CD1 3.84Å; F589-D631 HydrophobicContact CD1-CB 3.95Å; F589-D631 HydrophobicContact CE1-CB 3.68Å; F589-D631 HydrophobicContact CZ-CB 4.32Å; F589-I633 HydrophobicContact CB-CD1 3.81Å; F589-I633 HydrophobicContact CD1-CD1 4.09Å; F589-I633 HydrophobicContact CD2-CD1 3.42Å; F589-I633 VanDerWaalsContact CD2-CD1 3.42Å; F589-I633 HydrophobicContact CE2-CD1 3.97Å; F589-I633 HydrophobicContact CG-CD1 3.51Å |
| 590 | C | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 118.1 | 171.8 | -74.1 | 0 | 0 | 0 | 0 | 109.7 | F565 V605 A609 H611 F612 I613 | F565-C590 HydrophobicContact CE2-CB 3.96Å; F565-C590 HydrophobicContact CZ-CB 4.11Å; C590-V605 HydrophobicContact CB-CG1 4.02Å; C590-A609 HydrophobicContact CB-CB 4.11Å; C590-H611 PolarHBondContact N-O 2.91Å; C590-F612 HydrophobicContact CB-CD2 3.6Å; C590-F612 HydrophobicContact CB-CE2 3.82Å; C590-F612 HydrophobicContact CB-CG 4.48Å; C590-I613 PolarHBondContact O-N 3.17Å |
| 591 | Y | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 102.1 | 179.7 | -64.6 | -77.2 | 0 | 0 | 0 | 110.1 | Y560 V561 S562 F589 I613 L615 I628 D631 I633 L636 | Y560-Y591 PolarHBondContact O-N 3.41Å; V561-Y591 WeakPolarHBondContact CA-O 3.49Å; V561-Y591 HydrophobicContact CG2-CD2 4.09Å; V561-Y591 HydrophobicContact CG2-CG 4.43Å; S562-Y591 PolarHBondContact N-O 3.35Å; F589-Y591 HydrophobicContact CB-CD2 4.41Å; F589-Y591 HydrophobicContact CB-CE2 3.67Å; Y591-I613 WeakPolarHBondContact CA-O 3.39Å; Y591-I613 HydrophobicContact CD1-CB 3.63Å; Y591-I613 HydrophobicContact CD1-CD1 4.2Å; Y591-I613 HydrophobicContact CD1-CG1 4.16Å; Y591-I613 HydrophobicContact CD1-CG2 3.92Å; Y591-I613 HydrophobicContact CE1-CB 3.84Å; Y591-I613 HydrophobicContact CE1-CD1 3.77Å; Y591-I613 HydrophobicContact CE1-CG1 3.84Å; Y591-I613 HydrophobicContact CE1-CG2 4.11Å; Y591-L615 HydrophobicContact CD1-CD1 3.88Å; Y591-L615 HydrophobicContact CD1-CD2 4.31Å; Y591-L615 HydrophobicContact CD1-CG 4.05Å; Y591-L615 HydrophobicContact CG-CD1 4.17Å; Y591-I628 HydrophobicContact CD1-CG1 3.96Å; Y591-I628 HydrophobicContact CD2-CG1 4.49Å; Y591-I628 HydrophobicContact CE1-CG1 3.75Å; Y591-I628 HydrophobicContact CE2-CG1 4.29Å; Y591-I628 HydrophobicContact CE2-CG2 4.46Å; Y591-I628 HydrophobicContact CG-CG1 4.34Å; Y591-D631 WeakPolarHBondContact CE1-OD2 3.48Å; Y591-D631 WeakPolarHBondContact OH-CB 3.33Å; Y591-D631 PolarHBondContact OH-OD2 3.21Å; Y591-I633 HydrophobicContact CE2-CD1 4.09Å; Y591-I633 HydrophobicContact CE2-CG1 3.99Å; Y591-I633 WeakPolarHBondContact OH-CD1 3.43Å; Y591-I633 WeakPolarHBondContact OH-CG1 3.49Å; Y591-L636 HydrophobicContact CD2-CD1 4.22Å; Y591-L636 HydrophobicContact CE2-CD1 4.16Å |
| 592 | A | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 127.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | S562 F565 R602 F612 I613 L615 S616 | S562-A592 CarbonylContact O-C 3.6Å; S562-A592 WeakPolarHBondContact O-CA 3.4Å; F565-A592 HydrophobicContact CD2-CB 4.08Å; A592-R602 VanDerWaalsContact CB-CZ 3.45Å; A592-F612 HydrophobicContact CB-CE1 3.78Å; A592-F612 HydrophobicContact CB-CZ 3.66Å; A592-I613 PolarHBondContact N-O 3.32Å; A592-L615 WeakPolarHBondContact O-CA 3.46Å; A592-L615 WeakPolarHBondContact O-CB 3.43Å; A592-L615 PolarHBondContact O-N 3.45Å; A592-S616 PolarHBondContact O-N 2.81Å |
| 593 | L | 98.1 | Very high | 98.2 | Very high | 18 Ų | 18 | 38.6 Ų | 38.6 | 9% | 0.094 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -89.8 | -9.7 | 170.4 | -50.3 | -176.1 | 0 | 0 | 0 | 112.2 | V561 S562 L615 R647 L650 | V561-L593 HydrophobicContact CG1-CD1 3.98Å; V561-L593 HydrophobicContact CG1-CD2 3.69Å; V561-L593 HydrophobicContact CG1-CG 3.9Å; S562-L593 PolarHBondContact O-N 3.49Å; L593-L615 HydrophobicContact CD2-CB 4.17Å; L593-L615 HydrophobicContact CD2-CD1 4.1Å; L593-R647 HydrophobicContact CD1-CB 3.97Å; L593-R647 HydrophobicContact CD1-CG 4.27Å; L593-L650 HydrophobicContact CD2-CD1 3.71Å |
| 594 | S | 96.1 | Very high | 98.2 | Very high | 25 Ų | 25 | 37 Ų | 37 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -111 | 147.6 | 178.1 | 53.7 | 0 | 0 | 0 | 0 | 112.2 | S563 R602 | S563-S594 WeakPolarHBondContact O-CB 3.38Å; S563-S594 PolarHBondContact O-OG 3.27Å; S594-R602 PolarHBondContact O-NH1 3.3Å; S594-R602 PolarHBondContact O-NH2 2.98Å; S594-R602 VanDerWaalsContact O-NH2 3.09Å |
| 595 | P | 95.9 | Very high | 98.3 | Very high | 83 Ų | 83 | 30.9 Ų | 30.9 | 54% | 0.539 | 18% | 0.179 | S | C | . | . | trans | -63.7 | 159.9 | 170.1 | 30.3 | -35.5 | 0 | 0 | 0 | 110.5 | D597 | P595-D597 PolarHBondContact O-N 3.47Š| ||
| 596 | D | 98.1 | Very high | 98.3 | Very high | 79 Ų | 79 | 29.7 Ų | 29.7 | 42% | 0.422 | 18% | 0.176 | S | C | . | . | trans | -61.4 | 125.9 | 173.9 | -169.7 | -11.3 | 0 | 0 | 0 | 110.8 | G598 R602 | D596-G598 PolarHBondContact OD1-N 3.23Å; D596-R602 HydrophobicContact CB-CG 4.27Å; D596-R602 WeakPolarHBondContact OD1-CG 3.48Å | ||
| 597 | D | 97.4 | Very high | 98.2 | Very high | 79 Ų | 79 | 33.5 Ų | 33.5 | 42% | 0.422 | 21% | 0.208 | S | C | . | . | trans | -93 | 1.2 | 178.7 | 69.2 | -2.7 | 0 | 0 | 0 | 113.2 | G566 N567 P595 T599 | G566-D597 WeakPolarHBondContact CA-OD2 3.5Å; N567-D597 PolarHBondContact N-OD2 2.93Å; P595-D597 PolarHBondContact O-N 3.47Å; D597-T599 VanDerWaalsContact C-N 3.29Å; D597-T599 HydrophobicContact CB-CG2 4.4Å; D597-T599 VanDerWaalsContact CG-CG2 3.45Å; D597-T599 PolarHBondContact O-N 3.16Å; D597-T599 VanDerWaalsContact OD1-CB 3.28Å; D597-T599 WeakPolarHBondContact OD1-CB 3.3Å; D597-T599 VanDerWaalsContact OD1-CG2 3.28Å; D597-T599 WeakPolarHBondContact OD1-CG2 3.43Å; D597-T599 PolarHBondContact OD1-N 3.25Å; D597-T599 VanDerWaalsContact OD1-N 3.07Å; D597-T599 PolarHBondContact OD1-OG1 3.01Å; D597-T599 WeakPolarHBondContact OD2-CG2 3.3Å; D597-T599 PolarHBondContact OD2-OG1 3.34Å | ||
| 598 | G | 97.7 | Very high | 98.2 | Very high | 52 Ų | 52 | 36.3 Ų | 36.3 | 54% | 0.536 | 22% | 0.221 | S | C | . | . | S | Bend | trans | 76.9 | 9.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | D596 | D596-G598 PolarHBondContact OD1-N 3.23Š|
| 599 | T | 98.3 | Very high | 98.2 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | trans | -88.6 | 153.7 | -175.6 | 68.3 | 0 | 0 | 0 | 0 | 112.1 | N567 D597 F601 R602 V603 E821 | N567-T599 HydrophobicContact CB-CG2 3.82Å; N567-T599 PolarHBondContact N-OG1 3.29Å; D597-T599 VanDerWaalsContact C-N 3.29Å; D597-T599 HydrophobicContact CB-CG2 4.4Å; D597-T599 VanDerWaalsContact CG-CG2 3.45Å; D597-T599 PolarHBondContact O-N 3.16Å; D597-T599 VanDerWaalsContact OD1-CB 3.28Å; D597-T599 WeakPolarHBondContact OD1-CB 3.3Å; D597-T599 VanDerWaalsContact OD1-CG2 3.28Å; D597-T599 WeakPolarHBondContact OD1-CG2 3.43Å; D597-T599 PolarHBondContact OD1-N 3.25Å; D597-T599 VanDerWaalsContact OD1-N 3.07Å; D597-T599 PolarHBondContact OD1-OG1 3.01Å; D597-T599 WeakPolarHBondContact OD2-CG2 3.3Å; D597-T599 PolarHBondContact OD2-OG1 3.34Å; T599-F601 PolarHBondContact O-N 3.03Å; T599-F601 VanDerWaalsContact O-N 3.14Å; T599-R602 PolarHBondContact O-N 3.41Å; T599-R602 VanDerWaalsContact O-N 3.12Å; T599-V603 WeakPolarHBondContact O-CG2 3.37Å; T599-V603 PolarHBondContact O-N 3.39Å; T599-V603 VanDerWaalsContact O-N 3.13Å; T599-E821 WeakPolarHBondContact CA-OE2 3.44Å | ||
| 600 | N | 98.5 | Very high | 98.2 | Very high | 49 Ų | 49 | 39.9 Ų | 39.9 | 26% | 0.262 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.1 | -23.7 | 177.6 | -69.9 | 1.9 | 0 | 0 | 0 | 112.6 | V603 K604 K816 E821 | N600-V603 PolarHBondContact O-N 3.47Å; N600-K604 WeakPolarHBondContact O-CB 3.49Å; N600-K604 PolarHBondContact O-N 3.07Å; N600-K816 PolarHBondContact OD1-NZ 3.23Å; N600-E821 HydrophobicContact CB-CB 3.75Å; N600-E821 HydrophobicContact CB-CG 3.98Å; N600-E821 PolarHBondContact N-OE2 3.35Å; N600-E821 PolarHBondContact ND2-O 3.3Å |
| 601 | F | 98.4 | Very high | 98.2 | Very high | 1 Ų | 1 | 43.1 Ų | 43.1 | 0% | 0.004 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -50.5 | 173.8 | -56.2 | -64.9 | 0 | 0 | 0 | 111 | G566 N567 H572 Q575 T599 K604 V605 M711 E821 | G566-F601 WeakPolarHBondContact O-CB 3.42Å; N567-F601 HydrophobicContact CB-CD2 3.78Å; N567-F601 HydrophobicContact CB-CE2 3.92Å; H572-F601 AromaticContact CD2-CE1 3.65Å; H572-F601 AromaticContact CD2-CZ 3.64Å; H572-F601 AromaticContact NE2-CE2 3.72Å; H572-F601 AromaticContact NE2-CZ 3.63Å; Q575-F601 VanDerWaalsContact OE1-CD1 3.29Å; T599-F601 PolarHBondContact O-N 3.03Å; T599-F601 VanDerWaalsContact O-N 3.14Å; F601-K604 PolarHBondContact O-N 3.07Å; F601-V605 WeakPolarHBondContact O-CG2 3.39Å; F601-V605 PolarHBondContact O-N 3.21Å; F601-M711 HydrophobicContact CE1-CE 3.51Å; F601-M711 HydrophobicContact CE1-SD 4.15Å; F601-M711 HydrophobicContact CZ-CE 3.74Å; F601-E821 HydrophobicContact CD2-CG 3.97Å; F601-E821 HydrophobicContact CE2-CG 3.52Å; F601-E821 HydrophobicContact CZ-CG 3.93Å |
| 602 | R | 98.5 | Very high | 98.2 | Very high | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 176.9 | -179.7 | 48.2 | 162.1 | -112.1 | -2.3 | 111.1 | F565 A592 S594 D596 T599 K604 V605 M606 F612 | F565-R602 WeakPolarHBondContact O-CD 3.33Å; F565-R602 PolarHBondContact O-NH1 2.85Å; A592-R602 VanDerWaalsContact CB-CZ 3.45Å; S594-R602 PolarHBondContact O-NH1 3.3Å; S594-R602 PolarHBondContact O-NH2 2.98Å; S594-R602 VanDerWaalsContact O-NH2 3.09Å; D596-R602 HydrophobicContact CB-CG 4.27Å; D596-R602 WeakPolarHBondContact OD1-CG 3.48Å; T599-R602 PolarHBondContact O-N 3.41Å; T599-R602 VanDerWaalsContact O-N 3.12Å; R602-K604 VanDerWaalsContact C-N 3.35Å; R602-K604 PolarHBondContact O-N 2.91Å; R602-V605 PolarHBondContact O-N 2.89Å; R602-M606 HydrophobicContact CG-CG 4.46Å; R602-M606 HydrophobicContact CG-SD 3.77Å; R602-M606 WeakPolarHBondContact O-CB 3.31Å; R602-M606 VanDerWaalsContact O-CG 3.3Å; R602-M606 WeakPolarHBondContact O-CG 3.39Å; R602-M606 PolarHBondContact O-N 3.01Å; R602-F612 VanDerWaalsContact CZ-CE1 3.46Å |
| 603 | V | 98.6 | Very high | 98.2 | Very high | 78 Ų | 78 | 45.8 Ų | 45.8 | 47% | 0.473 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -56.8 | -46.3 | 177 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | T599 N600 M606 A607 | T599-V603 WeakPolarHBondContact O-CG2 3.37Å; T599-V603 PolarHBondContact O-N 3.39Å; T599-V603 VanDerWaalsContact O-N 3.13Å; N600-V603 PolarHBondContact O-N 3.47Å; V603-M606 PolarHBondContact O-N 2.9Å; V603-A607 VanDerWaalsContact O-CB 3.28Å; V603-A607 WeakPolarHBondContact O-CB 3.5Å; V603-A607 PolarHBondContact O-N 3.33Å |
| 604 | K | 98.7 | Very high | 98.2 | Very high | 39 Ų | 39 | 47.1 Ų | 47.1 | 17% | 0.17 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62 | -50.3 | 179.9 | -178.5 | -179.8 | 164.3 | 69.7 | 0 | 111.3 | Q575 S576 N600 F601 R602 M606 A607 E608 | Q575-K604 HydrophobicContact CB-CD 4.32Å; Q575-K604 HydrophobicContact CG-CD 4.06Å; Q575-K604 WeakPolarHBondContact O-CE 3.27Å; S576-K604 VanDerWaalsContact OG-CE 3.24Å; S576-K604 WeakPolarHBondContact OG-CE 3.33Å; N600-K604 WeakPolarHBondContact O-CB 3.49Å; N600-K604 PolarHBondContact O-N 3.07Å; F601-K604 PolarHBondContact O-N 3.07Å; R602-K604 VanDerWaalsContact C-N 3.35Å; R602-K604 PolarHBondContact O-N 2.91Å; K604-M606 VanDerWaalsContact C-N 3.32Å; K604-M606 PolarHBondContact O-N 3.19Å; K604-A607 PolarHBondContact O-N 2.95Å; K604-E608 WeakPolarHBondContact CE-OE2 3.39Å; K604-E608 HydrophobicContact CG-CG 4.37Å; K604-E608 IonicContact NZ-OE1 2.99Å; K604-E608 PolarHBondContact NZ-OE1 3.4Å; K604-E608 IonicContact NZ-OE2 2.78Å; K604-E608 PolarHBondContact NZ-OE2 3.13Å; K604-E608 WeakPolarHBondContact O-CB 3.43Å; K604-E608 WeakPolarHBondContact O-CG 3.41Å; K604-E608 PolarHBondContact O-N 2.85Å |
| 605 | V | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.2 | -39.7 | -179.7 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | F565 Q575 P578 C590 F601 R602 A607 A609 F612 | F565-V605 HydrophobicContact CD1-CG1 3.97Å; F565-V605 HydrophobicContact CD1-CG2 4.35Å; F565-V605 HydrophobicContact CE1-CG1 4.18Å; F565-V605 HydrophobicContact CG-CG1 4.35Å; Q575-V605 HydrophobicContact CB-CG2 4.13Å; P578-V605 HydrophobicContact CG-CG1 4.29Å; C590-V605 HydrophobicContact CB-CG1 4.02Å; F601-V605 WeakPolarHBondContact O-CG2 3.39Å; F601-V605 PolarHBondContact O-N 3.21Å; R602-V605 PolarHBondContact O-N 2.89Å; V605-A607 VanDerWaalsContact C-N 3.35Å; V605-A609 VanDerWaalsContact O-CB 3.26Å; V605-A609 WeakPolarHBondContact O-CB 3.42Å; V605-A609 PolarHBondContact O-N 3.05Å; V605-F612 HydrophobicContact CB-CE2 4.3Å; V605-F612 HydrophobicContact CG1-CD2 4.1Å; V605-F612 HydrophobicContact CG1-CE2 3.74Å |
| 606 | M | 98.5 | Very high | 98.3 | Very high | 82 Ų | 82 | 43.5 Ų | 43.5 | 40% | 0.404 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 174.6 | -75.3 | 174.8 | 64.4 | 0 | 0 | 113.1 | R602 V603 K604 F612 | R602-M606 HydrophobicContact CG-CG 4.46Å; R602-M606 HydrophobicContact CG-SD 3.77Å; R602-M606 WeakPolarHBondContact O-CB 3.31Å; R602-M606 VanDerWaalsContact O-CG 3.3Å; R602-M606 WeakPolarHBondContact O-CG 3.39Å; R602-M606 PolarHBondContact O-N 3.01Å; V603-M606 PolarHBondContact O-N 2.9Å; K604-M606 VanDerWaalsContact C-N 3.32Å; K604-M606 PolarHBondContact O-N 3.19Å; M606-F612 HydrophobicContact CB-CD2 4.15Å; M606-F612 HydrophobicContact CB-CG 4.19Å; M606-F612 HydrophobicContact CG-CB 4.27Å; M606-F612 HydrophobicContact CG-CD1 3.61Å; M606-F612 HydrophobicContact CG-CD2 3.55Å; M606-F612 HydrophobicContact CG-CE1 3.75Å; M606-F612 HydrophobicContact CG-CE2 3.67Å; M606-F612 HydrophobicContact CG-CG 3.51Å; M606-F612 HydrophobicContact CG-CZ 3.77Å; M606-F612 HydrophobicContact SD-CD1 4.43Å; M606-F612 HydrophobicContact SD-CE1 4.32Å |
| 607 | A | 98.5 | Very high | 98.1 | Very high | 81 Ų | 81 | 46.3 Ų | 46.3 | 67% | 0.669 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -78.2 | -29.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V603 K604 V605 | V603-A607 VanDerWaalsContact O-CB 3.28Å; V603-A607 WeakPolarHBondContact O-CB 3.5Å; V603-A607 PolarHBondContact O-N 3.33Å; K604-A607 PolarHBondContact O-N 2.95Å; V605-A607 VanDerWaalsContact C-N 3.35Å |
| 608 | E | 98.7 | Very high | 97.9 | Very high | 74 Ų | 74 | 44.7 Ų | 44.7 | 35% | 0.346 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -101.9 | -25 | -171.3 | -71.9 | -175.7 | -168.9 | 0 | 0 | 114.5 | K604 | K604-E608 WeakPolarHBondContact CE-OE2 3.39Å; K604-E608 HydrophobicContact CG-CG 4.37Å; K604-E608 IonicContact NZ-OE1 2.99Å; K604-E608 PolarHBondContact NZ-OE1 3.4Å; K604-E608 IonicContact NZ-OE2 2.78Å; K604-E608 PolarHBondContact NZ-OE2 3.13Å; K604-E608 WeakPolarHBondContact O-CB 3.43Å; K604-E608 WeakPolarHBondContact O-CG 3.41Å; K604-E608 PolarHBondContact O-N 2.85Å |
| 609 | A | 98.5 | Very high | 97.3 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 7% | 0.074 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -65.6 | 144.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110 | P578 V588 C590 V605 H611 | P578-A609 HydrophobicContact CB-CB 4.31Å; V588-A609 HydrophobicContact CG1-CB 4.46Å; C590-A609 HydrophobicContact CB-CB 4.11Å; V605-A609 VanDerWaalsContact O-CB 3.26Å; V605-A609 WeakPolarHBondContact O-CB 3.42Å; V605-A609 PolarHBondContact O-N 3.05Å; A609-H611 PolarHBondContact O-N 3.33Å |
| 610 | N | 98.7 | Very high | 96.8 | Very high | 71 Ų | 71 | 49.3 Ų | 49.3 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -61.9 | -36.4 | 174.3 | -59 | 118.3 | 0 | 0 | 0 | 111 | E587 V588 | E587-N610 WeakPolarHBondContact CA-OD1 3.49Å; E587-N610 HydrophobicContact CG-CB 4.19Å; V588-N610 PolarHBondContact N-OD1 3.48Å; V588-N610 WeakPolarHBondContact O-CB 3.3Å; V588-N610 PolarHBondContact O-N 3.12Å; V588-N610 VanDerWaalsContact O-N 3.16Å |
| 611 | H | 98.8 | Very high | 96.4 | Very high | 69 Ų | 69 | 48.7 Ų | 48.7 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 134.8 | 176.8 | -55.7 | -82.1 | 0 | 0 | 0 | 110.6 | E587 V588 F589 C590 A609 I613 | E587-H611 IonicContact OE1-CD2 3.15Å; E587-H611 IonicContact OE1-CE1 3.15Å; E587-H611 IonicContact OE1-NE2 2.66Å; E587-H611 PolarHBondContact OE1-NE2 3.11Å; V588-H611 PolarHBondContact O-N 3.35Å; F589-H611 CarbonylContact C-O 3.58Å; F589-H611 WeakPolarHBondContact CA-O 3.3Å; F589-H611 HydrophobicContact CD1-CB 3.46Å; F589-H611 VanDerWaalsContact CD1-CB 3.46Å; F589-H611 AromaticContact CD1-CD2 3.86Å; F589-H611 AromaticContact CD1-CG 3.82Å; F589-H611 HydrophobicContact CE1-CB 3.68Å; F589-H611 AromaticContact CE1-CD2 3.34Å; F589-H611 WeakPolarHBondContact CE1-CD2 3.47Å; F589-H611 AromaticContact CE1-CG 3.49Å; F589-H611 VanDerWaalsContact CE1-CG 3.49Å; F589-H611 AromaticContact CE2-CD2 3.72Å; F589-H611 HydrophobicContact CG-CB 4.06Å; F589-H611 HydrophobicContact CZ-CB 4.46Å; F589-H611 AromaticContact CZ-CD2 3.26Å; F589-H611 WeakPolarHBondContact CZ-CD2 3.38Å; F589-H611 AromaticContact CZ-CG 3.92Å; F589-H611 AromaticContact CZ-NE2 3.74Å; C590-H611 PolarHBondContact N-O 2.91Å; A609-H611 PolarHBondContact O-N 3.33Å; H611-I613 HydrophobicContact CB-CD1 3.95Å |
| 612 | F | 98.8 | Very high | 95.9 | Very high | 46 Ų | 46 | 48.8 Ų | 48.8 | 20% | 0.202 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 125.8 | 174.1 | -163.7 | -79.1 | 0 | 0 | 0 | 110.6 | F565 C590 A592 R602 V605 M606 | F565-F612 HydrophobicContact CB-CZ 4.39Å; F565-F612 HydrophobicContact CD2-CE2 4.26Å; F565-F612 HydrophobicContact CD2-CZ 4.27Å; F565-F612 HydrophobicContact CG-CE2 4.48Å; C590-F612 HydrophobicContact CB-CD2 3.6Å; C590-F612 HydrophobicContact CB-CE2 3.82Å; C590-F612 HydrophobicContact CB-CG 4.48Å; A592-F612 HydrophobicContact CB-CE1 3.78Å; A592-F612 HydrophobicContact CB-CZ 3.66Å; R602-F612 VanDerWaalsContact CZ-CE1 3.46Å; V605-F612 HydrophobicContact CB-CE2 4.3Å; V605-F612 HydrophobicContact CG1-CD2 4.1Å; V605-F612 HydrophobicContact CG1-CE2 3.74Å; M606-F612 HydrophobicContact CB-CD2 4.15Å; M606-F612 HydrophobicContact CB-CG 4.19Å; M606-F612 HydrophobicContact CG-CB 4.27Å; M606-F612 HydrophobicContact CG-CD1 3.61Å; M606-F612 HydrophobicContact CG-CD2 3.55Å; M606-F612 HydrophobicContact CG-CE1 3.75Å; M606-F612 HydrophobicContact CG-CE2 3.67Å; M606-F612 HydrophobicContact CG-CG 3.51Å; M606-F612 HydrophobicContact CG-CZ 3.77Å; M606-F612 HydrophobicContact SD-CD1 4.43Å; M606-F612 HydrophobicContact SD-CE1 4.32Å |
| 613 | I | 98.9 | Very high | 95.7 | Very high | 9 Ų | 9 | 55.5 Ų | 55.5 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 119.5 | -174.2 | -59.7 | 85.3 | 0 | 0 | 0 | 108.8 | F589 C590 Y591 A592 H611 L615 R627 | F589-I613 HydrophobicContact CB-CD1 4.38Å; F589-I613 HydrophobicContact CD1-CD1 3.84Å; C590-I613 PolarHBondContact O-N 3.17Å; Y591-I613 WeakPolarHBondContact CA-O 3.39Å; Y591-I613 HydrophobicContact CD1-CB 3.63Å; Y591-I613 HydrophobicContact CD1-CD1 4.2Å; Y591-I613 HydrophobicContact CD1-CG1 4.16Å; Y591-I613 HydrophobicContact CD1-CG2 3.92Å; Y591-I613 HydrophobicContact CE1-CB 3.84Å; Y591-I613 HydrophobicContact CE1-CD1 3.77Å; Y591-I613 HydrophobicContact CE1-CG1 3.84Å; Y591-I613 HydrophobicContact CE1-CG2 4.11Å; A592-I613 PolarHBondContact N-O 3.32Å; H611-I613 HydrophobicContact CB-CD1 3.95Å; I613-L615 HydrophobicContact CG2-CD2 3.73Å; I613-L615 HydrophobicContact CG2-CG 4.23Å; I613-L615 PolarHBondContact O-N 3.1Å; I613-R627 HydrophobicContact CG2-CG 4.12Å |
| 614 | D | 98.5 | Very high | 95.6 | Very high | 47 Ų | 47 | 51.8 Ų | 51.8 | 25% | 0.251 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 94.7 | 174.7 | -171.1 | -2.5 | 0 | 0 | 0 | 111.1 | S616 Q617 | D614-S616 VanDerWaalsContact C-N 3.26Å; D614-S616 VanDerWaalsContact CG-OG 3.27Å; D614-S616 PolarHBondContact O-N 3.47Å; D614-S616 WeakPolarHBondContact OD1-CB 3.43Å; D614-S616 PolarHBondContact OD1-N 3.49Å; D614-S616 PolarHBondContact OD1-OG 3.01Å; D614-S616 PolarHBondContact OD2-OG 2.98Å; D614-Q617 HydrophobicContact CB-CG 4.42Å |
| 615 | L | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | G | 310 helix | trans | -77.3 | -8.5 | 175.9 | -62.1 | -176.8 | 0 | 0 | 0 | 112.9 | Y591 A592 L593 I613 Q617 I618 A624 R627 I628 R647 L650 | Y591-L615 HydrophobicContact CD1-CD1 3.88Å; Y591-L615 HydrophobicContact CD1-CD2 4.31Å; Y591-L615 HydrophobicContact CD1-CG 4.05Å; Y591-L615 HydrophobicContact CG-CD1 4.17Å; A592-L615 WeakPolarHBondContact O-CA 3.46Å; A592-L615 WeakPolarHBondContact O-CB 3.43Å; A592-L615 PolarHBondContact O-N 3.45Å; L593-L615 HydrophobicContact CD2-CB 4.17Å; L593-L615 HydrophobicContact CD2-CD1 4.1Å; I613-L615 HydrophobicContact CG2-CD2 3.73Å; I613-L615 HydrophobicContact CG2-CG 4.23Å; I613-L615 PolarHBondContact O-N 3.1Å; L615-Q617 PolarHBondContact O-N 3.42Å; L615-I618 HydrophobicContact CD2-CD1 4.1Å; L615-I618 CarbonylContact O-C 3.44Å; L615-I618 PolarHBondContact O-N 3.28Å; L615-I618 VanDerWaalsContact O-O 3.12Å; L615-A624 HydrophobicContact CD1-CB 4.43Å; L615-A624 HydrophobicContact CD2-CB 4.15Å; L615-R627 HydrophobicContact CD2-CG 4.3Å; L615-I628 HydrophobicContact CD1-CD1 4.06Å; L615-I628 HydrophobicContact CD1-CG1 4.34Å; L615-R647 PolarHBondContact O-NH1 3.5Å; L615-L650 HydrophobicContact CD1-CD1 3.92Å |
| 616 | S | 94.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 51.8 Ų | 51.8 | 22% | 0.217 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -62.8 | -28.1 | 171.6 | 78.4 | 0 | 0 | 0 | 0 | 111.5 | A592 D614 I618 | A592-S616 PolarHBondContact O-N 2.81Å; D614-S616 VanDerWaalsContact C-N 3.26Å; D614-S616 VanDerWaalsContact CG-OG 3.27Å; D614-S616 PolarHBondContact O-N 3.47Å; D614-S616 WeakPolarHBondContact OD1-CB 3.43Å; D614-S616 PolarHBondContact OD1-N 3.49Å; D614-S616 PolarHBondContact OD1-OG 3.01Å; D614-S616 PolarHBondContact OD2-OG 2.98Å; S616-I618 VanDerWaalsContact C-N 3.26Å; S616-I618 PolarHBondContact O-N 2.98Å |
| 617 | Q | 94.6 | Very high | 95.6 | Very high | 138 Ų | 138 | 51.9 Ų | 51.9 | 65% | 0.645 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -77.2 | -8.7 | 173.1 | -56 | -55.8 | -47.4 | 0 | 0 | 113.5 | D614 L615 P619 | D614-Q617 HydrophobicContact CB-CG 4.42Å; L615-Q617 PolarHBondContact O-N 3.42Å; Q617-P619 VanDerWaalsContact C-CD 3.48Å; Q617-P619 WeakPolarHBondContact O-CD 3.38Å |
| 618 | I | 94 | Very high | 95.6 | Very high | 46 Ų | 46 | 48 Ų | 48 | 24% | 0.236 | 25% | 0.246 | C | C | . | . | trans | -120.3 | 76.4 | 179.1 | -48.2 | 179.5 | 0 | 0 | 0 | 108.6 | L615 S616 C620 K623 A624 R647 | L615-I618 HydrophobicContact CD2-CD1 4.1Å; L615-I618 CarbonylContact O-C 3.44Å; L615-I618 PolarHBondContact O-N 3.28Å; L615-I618 VanDerWaalsContact O-O 3.12Å; S616-I618 VanDerWaalsContact C-N 3.26Å; S616-I618 PolarHBondContact O-N 2.98Å; I618-C620 VanDerWaalsContact C-N 3.3Å; I618-C620 PolarHBondContact O-N 3.01Å; I618-K623 HydrophobicContact CG2-CB 3.72Å; I618-A624 HydrophobicContact CB-CB 4.35Å; I618-A624 HydrophobicContact CG2-CB 4Å; I618-R647 PolarHBondContact O-NH1 3.41Å; I618-R647 VanDerWaalsContact O-NH1 3.15Å; I618-R647 PolarHBondContact O-NH2 2.97Å | ||
| 619 | P | 83.8 | Confident | 95.6 | Very high | 106 Ų | 106 | 47.1 Ų | 47.1 | 69% | 0.688 | 24% | 0.242 | S | C | * | . | trans | -67.8 | -28.9 | -173.8 | 25.6 | -34.6 | 0 | 0 | 0 | 112.9 | Q617 N621 R647 | Q617-P619 VanDerWaalsContact C-CD 3.48Å; Q617-P619 WeakPolarHBondContact O-CD 3.38Å; P619-N621 PolarHBondContact O-N 3.19Å; P619-N621 VanDerWaalsContact O-N 3.17Å; P619-R647 PolarHBondContact O-NH2 3.32Å; P619-R647 VanDerWaalsContact O-NH2 3.15Å | ||
| 620 | C | 87.9 | Confident | 95.6 | Very high | 57 Ų | 57 | 53.6 Ų | 53.6 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | trans | -68.2 | 113.5 | 175.5 | 178.9 | 0 | 0 | 0 | 0 | 110.6 | I618 G622 K623 A624 | I618-C620 VanDerWaalsContact C-N 3.3Å; I618-C620 PolarHBondContact O-N 3.01Å; C620-G622 VanDerWaalsContact C-N 3.28Å; C620-G622 PolarHBondContact O-N 3.19Å; C620-K623 HydrophobicContact CB-CB 4.27Å; C620-K623 HydrophobicContact CB-CD 4.31Å; C620-K623 HydrophobicContact CB-CG 4.26Å; C620-K623 PolarHBondContact O-N 3.48Å; C620-A624 PolarHBondContact O-N 2.9Å | ||
| 621 | N | 90.1 | Very high | 95.6 | Very high | 36 Ų | 36 | 51.2 Ų | 51.2 | 19% | 0.193 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -57.7 | -37.4 | -179.6 | -67.9 | -29.6 | 0 | 0 | 0 | 113.1 | P619 A624 A625 R647 E649 L650 | P619-N621 PolarHBondContact O-N 3.19Å; P619-N621 VanDerWaalsContact O-N 3.17Å; N621-A624 PolarHBondContact O-N 3.35Å; N621-A625 WeakPolarHBondContact O-CB 3.49Å; N621-A625 PolarHBondContact O-N 3Å; N621-R647 VanDerWaalsContact OD1-CZ 3.29Å; N621-R647 PolarHBondContact OD1-NE 2.87Å; N621-R647 PolarHBondContact OD1-NH2 3.18Å; N621-E649 HydrophobicContact CB-CB 4.09Å; N621-E649 VanDerWaalsContact ND2-CB 3.33Å; N621-E649 WeakPolarHBondContact ND2-CB 3.4Å; N621-L650 HydrophobicContact CB-CD2 4.11Å |
| 622 | G | 89.3 | Confident | 95.5 | Very high | 3 Ų | 3 | 48.6 Ų | 48.6 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -46.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | C620 A625 D626 | C620-G622 VanDerWaalsContact C-N 3.28Å; C620-G622 PolarHBondContact O-N 3.19Å; G622-A625 PolarHBondContact O-N 3.45Å; G622-D626 VanDerWaalsContact O-CG 3.27Å; G622-D626 PolarHBondContact O-N 3.26Å |
| 623 | K | 93.8 | Very high | 95.5 | Very high | 143 Ų | 143 | 46.5 Ų | 46.5 | 62% | 0.622 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -69.4 | -36.5 | 177.6 | -68.4 | -176.3 | 178.6 | -178.8 | 0 | 112.4 | I618 C620 D626 R627 | I618-K623 HydrophobicContact CG2-CB 3.72Å; C620-K623 HydrophobicContact CB-CB 4.27Å; C620-K623 HydrophobicContact CB-CD 4.31Å; C620-K623 HydrophobicContact CB-CG 4.26Å; C620-K623 PolarHBondContact O-N 3.48Å; K623-D626 PolarHBondContact O-N 3.03Å; K623-R627 PolarHBondContact O-N 3.13Å |
| 624 | A | 96.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.3 | -40 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L615 I618 C620 N621 R627 I628 L650 | L615-A624 HydrophobicContact CD1-CB 4.43Å; L615-A624 HydrophobicContact CD2-CB 4.15Å; I618-A624 HydrophobicContact CB-CB 4.35Å; I618-A624 HydrophobicContact CG2-CB 4Å; C620-A624 PolarHBondContact O-N 2.9Å; N621-A624 PolarHBondContact O-N 3.35Å; A624-R627 WeakPolarHBondContact O-CB 3.31Å; A624-R627 PolarHBondContact O-N 3.42Å; A624-I628 WeakPolarHBondContact O-CG1 3.49Å; A624-I628 PolarHBondContact O-N 2.94Å; A624-I628 VanDerWaalsContact O-N 3.16Å; A624-L650 HydrophobicContact CB-CD2 3.54Å |
| 625 | A | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.1 | -39.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y543 N621 G622 R627 I628 H629 L653 P655 | Y543-A625 HydrophobicContact CE2-CB 4.45Å; Y543-A625 WeakPolarHBondContact OH-CB 3.3Å; N621-A625 WeakPolarHBondContact O-CB 3.49Å; N621-A625 PolarHBondContact O-N 3Å; G622-A625 PolarHBondContact O-N 3.45Å; A625-R627 VanDerWaalsContact C-N 3.27Å; A625-R627 PolarHBondContact O-N 2.91Å; A625-I628 PolarHBondContact O-N 3.38Å; A625-H629 WeakPolarHBondContact O-CB 3.36Å; A625-H629 PolarHBondContact O-N 3.46Å; A625-L653 HydrophobicContact CB-CB 3.96Å; A625-L653 HydrophobicContact CB-CD1 3.55Å; A625-L653 HydrophobicContact CB-CG 4.38Å; A625-P655 HydrophobicContact CB-CB 4.42Å; A625-P655 HydrophobicContact CB-CG 4.45Å; A625-P655 WeakPolarHBondContact O-CB 3.49Å |
| 626 | D | 98.2 | Very high | 95.6 | Very high | 39 Ų | 39 | 44 Ų | 44 | 21% | 0.209 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58 | -41.8 | 172.9 | -68.9 | -34.3 | 0 | 0 | 0 | 111.5 | K540 Y543 G622 K623 H629 Q630 | K540-D626 IonicContact NZ-OD1 3.91Å; K540-D626 PolarHBondContact NZ-OD1 3.38Å; K540-D626 IonicContact NZ-OD2 3.07Å; K540-D626 PolarHBondContact NZ-OD2 3.25Å; Y543-D626 PolarHBondContact OH-N 3.17Å; Y543-D626 PolarHBondContact OH-OD1 3.48Å; Y543-D626 VanDerWaalsContact OH-OD1 3.13Å; G622-D626 VanDerWaalsContact O-CG 3.27Å; G622-D626 PolarHBondContact O-N 3.26Å; K623-D626 PolarHBondContact O-N 3.03Å; D626-H629 PolarHBondContact O-N 2.86Å; D626-Q630 WeakPolarHBondContact O-CB 3.28Å; D626-Q630 WeakPolarHBondContact O-CG 3.5Å; D626-Q630 PolarHBondContact O-N 2.9Å |
| 627 | R | 98.6 | Very high | 95.8 | Very high | 84 Ų | 84 | 42.5 Ų | 42.5 | 32% | 0.317 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 177.6 | 171.3 | 59.6 | -155.1 | -113.2 | 12.7 | 111.5 | I613 L615 K623 A624 A625 H629 Q630 D631 | I613-R627 HydrophobicContact CG2-CG 4.12Å; L615-R627 HydrophobicContact CD2-CG 4.3Å; K623-R627 PolarHBondContact O-N 3.13Å; A624-R627 WeakPolarHBondContact O-CB 3.31Å; A624-R627 PolarHBondContact O-N 3.42Å; A625-R627 VanDerWaalsContact C-N 3.27Å; A625-R627 PolarHBondContact O-N 2.91Å; R627-H629 VanDerWaalsContact C-N 3.3Å; R627-H629 PolarHBondContact O-N 2.75Å; R627-Q630 PolarHBondContact O-N 2.89Å; R627-D631 IonicContact CZ-OD1 2.8Å; R627-D631 IonicContact CZ-OD2 2.86Å; R627-D631 IonicContact NE-OD1 2.59Å; R627-D631 PolarHBondContact NE-OD1 3.25Å; R627-D631 VanDerWaalsContact NE-OD1 3.11Å; R627-D631 IonicContact NE-OD2 2.65Å; R627-D631 PolarHBondContact NE-OD2 3.47Å; R627-D631 IonicContact NH2-OD1 3.75Å; R627-D631 PolarHBondContact NH2-OD1 2.95Å; R627-D631 IonicContact NH2-OD2 2.84Å; R627-D631 PolarHBondContact NH2-OD2 3.24Å; R627-D631 PolarHBondContact O-N 3.49Å; R627-D631 VanDerWaalsContact O-N 3.16Å |
| 628 | I | 98.8 | Very high | 96 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -59.7 | -43.5 | 176.2 | -65.2 | 166.7 | 0 | 0 | 0 | 110.5 | Y591 L615 A624 A625 D631 I633 L636 L650 P655 | Y591-I628 HydrophobicContact CD1-CG1 3.96Å; Y591-I628 HydrophobicContact CD2-CG1 4.49Å; Y591-I628 HydrophobicContact CE1-CG1 3.75Å; Y591-I628 HydrophobicContact CE2-CG1 4.29Å; Y591-I628 HydrophobicContact CE2-CG2 4.46Å; Y591-I628 HydrophobicContact CG-CG1 4.34Å; L615-I628 HydrophobicContact CD1-CD1 4.06Å; L615-I628 HydrophobicContact CD1-CG1 4.34Å; A624-I628 WeakPolarHBondContact O-CG1 3.49Å; A624-I628 PolarHBondContact O-N 2.94Å; A624-I628 VanDerWaalsContact O-N 3.16Å; A625-I628 PolarHBondContact O-N 3.38Å; I628-D631 PolarHBondContact O-N 3.21Å; I628-I633 HydrophobicContact CG2-CB 4.29Å; I628-I633 HydrophobicContact CG2-CG1 3.94Å; I628-L636 HydrophobicContact CD1-CD2 4.36Å; I628-L636 HydrophobicContact CG2-CD1 3.73Å; I628-L636 HydrophobicContact CG2-CD2 4.12Å; I628-L650 HydrophobicContact CD1-CD1 4.44Å; I628-P655 HydrophobicContact CB-CB 4.12Å; I628-P655 HydrophobicContact CB-CG 4.13Å; I628-P655 HydrophobicContact CD1-CG 4.41Å; I628-P655 HydrophobicContact CG2-CB 3.94Å; I628-P655 HydrophobicContact CG2-CG 3.79Å |
| 629 | H | 98.7 | Very high | 96.3 | Very high | 56 Ų | 56 | 33.9 Ų | 33.9 | 26% | 0.259 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 179.5 | -178.9 | 57.1 | 0 | 0 | 0 | 112.5 | Y543 E544 A625 D626 R627 D631 G632 P655 | Y543-H629 HydrophobicContact CD1-CB 3.75Å; Y543-H629 AromaticContact CD1-CD2 3.33Å; Y543-H629 WeakPolarHBondContact CD1-CD2 3.43Å; Y543-H629 AromaticContact CD1-CG 3.31Å; Y543-H629 AromaticContact CD1-ND1 3.79Å; Y543-H629 AromaticContact CD1-NE2 3.81Å; Y543-H629 HydrophobicContact CE1-CB 3.83Å; Y543-H629 AromaticContact CE1-CD2 3.92Å; Y543-H629 AromaticContact CE1-CG 3.88Å; Y543-H629 HydrophobicContact CG-CB 4.36Å; Y543-H629 AromaticContact CG-CG 3.92Å; Y543-H629 AromaticContact CG-ND1 3.97Å; E544-H629 PolarHBondContact O-CE1 3.19Å; E544-H629 VanDerWaalsContact O-CE1 3.25Å; A625-H629 WeakPolarHBondContact O-CB 3.36Å; A625-H629 PolarHBondContact O-N 3.46Å; D626-H629 PolarHBondContact O-N 2.86Å; R627-H629 VanDerWaalsContact C-N 3.3Å; R627-H629 PolarHBondContact O-N 2.75Å; H629-D631 VanDerWaalsContact C-N 3.29Å; H629-D631 PolarHBondContact O-N 3.4Å; H629-G632 WeakPolarHBondContact O-CA 3.41Å; H629-G632 PolarHBondContact O-N 2.93Å; H629-P655 HydrophobicContact CB-CB 4.11Å; H629-P655 PolarHBondContact ND1-O 3.33Å |
| 630 | Q | 98.4 | Very high | 97 | Very high | 144 Ų | 144 | 28.9 Ų | 28.9 | 67% | 0.673 | 14% | 0.143 | S | C | * | . | H | α-helix | trans | -63.3 | -33.3 | 177.6 | -73.5 | 163.8 | 17.7 | 0 | 0 | 113 | D626 R627 G632 | D626-Q630 WeakPolarHBondContact O-CB 3.28Å; D626-Q630 WeakPolarHBondContact O-CG 3.5Å; D626-Q630 PolarHBondContact O-N 2.9Å; R627-Q630 PolarHBondContact O-N 2.89Å; Q630-G632 PolarHBondContact O-N 3.49Å |
| 631 | D | 98.6 | Very high | 97.4 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 12% | 0.118 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.7 | 173.5 | -66.9 | -36.5 | 0 | 0 | 0 | 111.9 | R557 F589 Y591 R627 I628 H629 I633 | R557-D631 WeakPolarHBondContact CD-O 3.46Å; R557-D631 PolarHBondContact NH1-O 3.02Å; F589-D631 HydrophobicContact CD1-CB 3.95Å; F589-D631 HydrophobicContact CE1-CB 3.68Å; F589-D631 HydrophobicContact CZ-CB 4.32Å; Y591-D631 WeakPolarHBondContact CE1-OD2 3.48Å; Y591-D631 WeakPolarHBondContact OH-CB 3.33Å; Y591-D631 PolarHBondContact OH-OD2 3.21Å; R627-D631 IonicContact CZ-OD1 2.8Å; R627-D631 IonicContact CZ-OD2 2.86Å; R627-D631 IonicContact NE-OD1 2.59Å; R627-D631 PolarHBondContact NE-OD1 3.25Å; R627-D631 VanDerWaalsContact NE-OD1 3.11Å; R627-D631 IonicContact NE-OD2 2.65Å; R627-D631 PolarHBondContact NE-OD2 3.47Å; R627-D631 IonicContact NH2-OD1 3.75Å; R627-D631 PolarHBondContact NH2-OD1 2.95Å; R627-D631 IonicContact NH2-OD2 2.84Å; R627-D631 PolarHBondContact NH2-OD2 3.24Å; R627-D631 PolarHBondContact O-N 3.49Å; R627-D631 VanDerWaalsContact O-N 3.16Å; I628-D631 PolarHBondContact O-N 3.21Å; H629-D631 VanDerWaalsContact C-N 3.29Å; H629-D631 PolarHBondContact O-N 3.4Å; D631-I633 HydrophobicContact CB-CD1 4.25Å; D631-I633 HydrophobicContact CB-CG1 4.36Å |
| 632 | G | 98.4 | Very high | 97.8 | Very high | 14 Ų | 14 | 25.2 Ų | 25.2 | 14% | 0.144 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 37.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R557 H629 Q630 | R557-G632 WeakPolarHBondContact CD-O 3.37Å; H629-G632 WeakPolarHBondContact O-CA 3.41Å; H629-G632 PolarHBondContact O-N 2.93Å; Q630-G632 PolarHBondContact O-N 3.49Å |
| 633 | I | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | trans | -63.3 | 134 | -178.6 | -57.5 | -54.5 | 0 | 0 | 0 | 111.5 | R557 F589 Y591 I628 D631 I635 L636 A656 P657 | R557-I633 HydrophobicContact CB-CD1 4.15Å; F589-I633 HydrophobicContact CB-CD1 3.81Å; F589-I633 HydrophobicContact CD1-CD1 4.09Å; F589-I633 HydrophobicContact CD2-CD1 3.42Å; F589-I633 VanDerWaalsContact CD2-CD1 3.42Å; F589-I633 HydrophobicContact CE2-CD1 3.97Å; F589-I633 HydrophobicContact CG-CD1 3.51Å; Y591-I633 HydrophobicContact CE2-CD1 4.09Å; Y591-I633 HydrophobicContact CE2-CG1 3.99Å; Y591-I633 WeakPolarHBondContact OH-CD1 3.43Å; Y591-I633 WeakPolarHBondContact OH-CG1 3.49Å; I628-I633 HydrophobicContact CG2-CB 4.29Å; I628-I633 HydrophobicContact CG2-CG1 3.94Å; D631-I633 HydrophobicContact CB-CD1 4.25Å; D631-I633 HydrophobicContact CB-CG1 4.36Å; I633-I635 VanDerWaalsContact CG2-O 3.24Å; I633-I635 WeakPolarHBondContact CG2-O 3.28Å; I633-L636 HydrophobicContact CG2-CB 4.16Å; I633-L636 HydrophobicContact CG2-CD1 4.01Å; I633-A656 HydrophobicContact CB-CB 4.27Å; I633-A656 HydrophobicContact CG2-CB 4.07Å; I633-P657 VanDerWaalsContact O-CD 3.31Å; I633-P657 WeakPolarHBondContact O-CD 3.38Å | ||
| 634 | H | 98.8 | Very high | 97.7 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.019 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -94.1 | -45.5 | 175.8 | -54.3 | 88.2 | 0 | 0 | 0 | 111.1 | S552 L556 R557 P657 I658 W1024 | S552-H634 PolarHBondContact OG-CE1 3.23Å; L556-H634 HydrophobicContact CD1-CB 3.47Å; L556-H634 VanDerWaalsContact CD1-CB 3.47Å; L556-H634 HydrophobicContact CG-CB 4.33Å; R557-H634 VanDerWaalsContact CB-ND1 3.34Å; R557-H634 WeakPolarHBondContact CB-ND1 3.45Å; R557-H634 PolarHBondContact N-ND1 2.98Å; R557-H634 PolarHBondContact O-N 2.89Å; H634-P657 VanDerWaalsContact O-CD 3.31Å; H634-P657 WeakPolarHBondContact O-CD 3.31Å; H634-P657 VanDerWaalsContact O-CG 3.27Å; H634-P657 WeakPolarHBondContact O-CG 3.22Å; H634-I658 PolarHBondContact O-N 3.23Å; H634-W1024 HydrophobicContact CB-CE3 4Å; H634-W1024 HydrophobicContact CB-CZ3 4Å; H634-W1024 AromaticContact CD2-CH2 3.48Å; H634-W1024 VanDerWaalsContact CD2-CH2 3.48Å; H634-W1024 WeakPolarHBondContact CD2-CH2 3.49Å; H634-W1024 AromaticContact CD2-CZ2 3.94Å; H634-W1024 AromaticContact CD2-CZ3 3.66Å |
| 635 | I | 98.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 116 | 177 | -56.1 | -175.3 | 0 | 0 | 0 | 108.9 | L556 R557 V558 G559 I633 V637 I658 Y1020 M1023 | L556-I635 HydrophobicContact CD2-CD1 3.83Å; L556-I635 HydrophobicContact CD2-CG1 4.42Å; R557-I635 PolarHBondContact O-N 3.39Å; V558-I635 CarbonylContact C-O 3.59Å; V558-I635 WeakPolarHBondContact CA-O 3.45Å; V558-I635 HydrophobicContact CG2-CB 4.5Å; G559-I635 PolarHBondContact N-O 3.4Å; I633-I635 VanDerWaalsContact CG2-O 3.24Å; I633-I635 WeakPolarHBondContact CG2-O 3.28Å; I635-V637 HydrophobicContact CG2-CG2 4.07Å; I635-I658 WeakPolarHBondContact CA-O 3.35Å; I635-I658 HydrophobicContact CD1-CD1 4.45Å; I635-I658 HydrophobicContact CG1-CB 4.14Å; I635-I658 HydrophobicContact CG1-CD1 4.1Å; I635-I658 HydrophobicContact CG1-CG2 4.33Å; I635-I658 HydrophobicContact CG2-CG2 4.35Å; I635-Y1020 HydrophobicContact CD1-CD1 3.71Å; I635-Y1020 HydrophobicContact CD1-CG 3.93Å; I635-Y1020 WeakPolarHBondContact CD1-O 3.23Å; I635-Y1020 HydrophobicContact CG2-CD1 4.14Å; I635-Y1020 HydrophobicContact CG2-CE1 4.09Å; I635-M1023 HydrophobicContact CD1-CB 4.14Å; I635-M1023 HydrophobicContact CD1-SD 4.39Å |
| 636 | L | 99 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 120.8 | 175.1 | -164 | 71.8 | 0 | 0 | 0 | 110.1 | G559 V561 Y591 I628 I633 F651 P655 A656 I658 Q659 A660 | G559-L636 CarbonylContact O-C 3.6Å; V561-L636 HydrophobicContact CG2-CD1 3.54Å; V561-L636 HydrophobicContact CG2-CD2 4.27Å; V561-L636 HydrophobicContact CG2-CG 3.8Å; Y591-L636 HydrophobicContact CD2-CD1 4.22Å; Y591-L636 HydrophobicContact CE2-CD1 4.16Å; I628-L636 HydrophobicContact CD1-CD2 4.36Å; I628-L636 HydrophobicContact CG2-CD1 3.73Å; I628-L636 HydrophobicContact CG2-CD2 4.12Å; I633-L636 HydrophobicContact CG2-CB 4.16Å; I633-L636 HydrophobicContact CG2-CD1 4.01Å; L636-F651 HydrophobicContact CB-CE1 4.12Å; L636-F651 HydrophobicContact CD2-CD1 3.84Å; L636-F651 HydrophobicContact CD2-CE1 3.55Å; L636-F651 HydrophobicContact CD2-CZ 4.04Å; L636-F651 HydrophobicContact CG-CD1 4.31Å; L636-F651 HydrophobicContact CG-CE1 3.57Å; L636-F651 HydrophobicContact CG-CZ 4.01Å; L636-P655 HydrophobicContact CD2-CG 3.97Å; L636-A656 HydrophobicContact CB-CB 3.71Å; L636-I658 PolarHBondContact N-O 3.18Å; L636-Q659 HydrophobicContact CB-CG 4.42Å; L636-Q659 CarbonylContact O-C 3.59Å; L636-Q659 VanDerWaalsContact O-CA 3.24Å; L636-Q659 WeakPolarHBondContact O-CA 3.14Å; L636-A660 PolarHBondContact O-N 3.36Å |
| 637 | V | 99 | Very high | 97.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 117.6 | -171.7 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | V558 G559 Y560 V561 I635 M639 A660 W662 Y1020 | V558-V637 HydrophobicContact CG1-CG2 3.98Å; G559-V637 PolarHBondContact O-N 3.44Å; Y560-V637 HydrophobicContact CD1-CB 3.81Å; Y560-V637 HydrophobicContact CD1-CG1 3.96Å; Y560-V637 HydrophobicContact CD1-CG2 4.11Å; Y560-V637 HydrophobicContact CE1-CB 4.22Å; Y560-V637 HydrophobicContact CE1-CG1 4.2Å; Y560-V637 HydrophobicContact CE1-CG2 4.08Å; V561-V637 PolarHBondContact N-O 3.26Å; I635-V637 HydrophobicContact CG2-CG2 4.07Å; V637-M639 HydrophobicContact CG1-CG 4.17Å; V637-A660 CarbonylContact C-O 3.59Å; V637-A660 WeakPolarHBondContact CA-O 3.42Å; V637-W662 HydrophobicContact CG1-CB 3.48Å; V637-W662 VanDerWaalsContact CG1-CB 3.48Å; V637-W662 HydrophobicContact CG1-CD2 4.32Å; V637-W662 HydrophobicContact CG1-CE3 3.88Å; V637-W662 HydrophobicContact CG1-CG 4.24Å; V637-Y1020 HydrophobicContact CG2-CE1 4.26Å; V637-Y1020 WeakPolarHBondContact CG2-OH 3.45Å |
| 638 | N | 98.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 1% | 0.011 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 114.3 | 175 | -170.7 | -32.6 | 0 | 0 | 0 | 109.9 | N640 G641 N648 F651 A660 M661 W662 M674 | N638-N640 PolarHBondContact OD1-N 2.96Å; N638-G641 PolarHBondContact OD1-N 2.88Å; N638-N648 PolarHBondContact ND2-OD1 3.4Å; N638-F651 HydrophobicContact CB-CD1 4.18Å; N638-F651 HydrophobicContact CB-CD2 4.33Å; N638-F651 HydrophobicContact CB-CE1 3.61Å; N638-F651 HydrophobicContact CB-CE2 3.79Å; N638-F651 HydrophobicContact CB-CZ 3.4Å; N638-F651 WeakPolarHBondContact ND2-CD2 3.45Å; N638-A660 PolarHBondContact N-O 3Å; N638-M661 HydrophobicContact CB-SD 3.73Å; N638-W662 PolarHBondContact O-N 3.37Å; N638-M674 HydrophobicContact CB-CE 3.66Å; N638-M674 HydrophobicContact CB-SD 4.32Å |
| 639 | M | 98.9 | Very high | 96.9 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -107.3 | 16.6 | 179.1 | -58 | 176.2 | 63.2 | 0 | 0 | 113.3 | Y560 V561 F565 T570 M574 V637 W662 G664 | Y560-M639 HydrophobicContact CD1-SD 3.84Å; Y560-M639 HydrophobicContact CG-SD 4.28Å; V561-M639 WeakPolarHBondContact O-CB 3.39Å; V561-M639 PolarHBondContact O-N 3.25Å; V561-M639 VanDerWaalsContact O-N 3.14Å; F565-M639 HydrophobicContact CE1-SD 4.48Å; F565-M639 HydrophobicContact CZ-SD 4.38Å; T570-M639 HydrophobicContact CG2-CE 3.43Å; T570-M639 VanDerWaalsContact CG2-CE 3.43Å; M574-M639 HydrophobicContact CE-CE 3.64Å; M574-M639 HydrophobicContact CE-SD 4.07Å; M574-M639 HydrophobicContact CG-CE 3.47Å; M574-M639 VanDerWaalsContact CG-CE 3.47Å; M574-M639 HydrophobicContact SD-CE 3.67Å; V637-M639 HydrophobicContact CG1-CG 4.17Å; M639-W662 WeakPolarHBondContact CA-O 3.34Å; M639-W662 HydrophobicContact CE-CE3 4Å; M639-W662 HydrophobicContact CE-CZ3 3.76Å; M639-W662 HydrophobicContact CG-CE3 3.98Å; M639-W662 HydrophobicContact SD-CE3 3.95Å; M639-W662 HydrophobicContact SD-CZ3 3.93Å; M639-G664 WeakPolarHBondContact O-CA 3.26Å |
| 640 | N | 98.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 1% | 0.011 | 14% | 0.144 | C | C | . | . | trans | -117 | -46.8 | -177.3 | -77.3 | 112.5 | 0 | 0 | 0 | 112.6 | S562 S563 N638 Y642 T643 A646 Y665 | S562-N640 VanDerWaalsContact CA-OD1 3.3Å; S562-N640 WeakPolarHBondContact CA-OD1 3.46Å; S563-N640 PolarHBondContact N-OD1 3.4Å; S563-N640 VanDerWaalsContact N-OD1 3.15Å; S563-N640 PolarHBondContact OG-ND2 3.29Å; N638-N640 PolarHBondContact OD1-N 2.96Å; N640-Y642 PolarHBondContact O-N 2.97Å; N640-T643 PolarHBondContact ND2-OG1 3.29Å; N640-T643 WeakPolarHBondContact O-CB 3.45Å; N640-T643 VanDerWaalsContact O-CG2 3.23Å; N640-T643 WeakPolarHBondContact O-CG2 3.36Å; N640-T643 PolarHBondContact O-N 3.07Å; N640-T643 PolarHBondContact O-OG1 3.12Å; N640-A646 HydrophobicContact CB-CB 3.79Å; N640-Y665 WeakPolarHBondContact O-CB 3.49Å | ||
| 641 | G | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 51.5 | -126.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | N638 T643 A646 N648 | N638-G641 PolarHBondContact OD1-N 2.88Å; G641-T643 PolarHBondContact O-N 2.7Å; G641-A646 WeakPolarHBondContact O-CB 3.39Å; G641-N648 PolarHBondContact O-ND2 2.86Å; G641-N648 PolarHBondContact O-OD1 3.42Å |
| 642 | Y | 97.2 | Very high | 96.9 | Very high | 14 Ų | 14 | 19.4 Ų | 19.4 | 6% | 0.055 | 11% | 0.11 | C | C | . | . | S | Bend | trans | -100.9 | 55.6 | 178 | -57.4 | -71.2 | 0 | 0 | 0 | 111.5 | H506 P507 A524 H527 G528 N640 Y665 S669 | H506-Y642 PolarHBondContact CE1-O 2.84Å; P507-Y642 HydrophobicContact CB-CD2 3.41Å; P507-Y642 VanDerWaalsContact CB-CD2 3.41Å; P507-Y642 HydrophobicContact CB-CE2 4.04Å; P507-Y642 HydrophobicContact CB-CG 3.81Å; P507-Y642 HydrophobicContact CG-CD1 4.24Å; P507-Y642 HydrophobicContact CG-CD2 3.69Å; P507-Y642 HydrophobicContact CG-CE2 4.09Å; P507-Y642 HydrophobicContact CG-CG 3.76Å; A524-Y642 HydrophobicContact CB-CE2 3.99Å; A524-Y642 PolarHBondContact O-OH 3.45Å; H527-Y642 HydrophobicContact CB-CD1 4.09Å; H527-Y642 HydrophobicContact CB-CE1 3.5Å; H527-Y642 VanDerWaalsContact CB-CE1 3.5Å; G528-Y642 WeakPolarHBondContact CA-OH 3.32Å; G528-Y642 PolarHBondContact N-OH 3.3Å; G528-Y642 VanDerWaalsContact N-OH 3.11Å; N640-Y642 PolarHBondContact O-N 2.97Å; Y642-Y665 HydrophobicContact CD2-CE1 4.11Å; Y642-Y665 HydrophobicContact CD2-CE2 4.37Å; Y642-Y665 AromaticContact CD2-CZ 3.83Å; Y642-S669 WeakPolarHBondContact CE2-O 3.49Å; Y642-S669 VanDerWaalsContact CZ-O 3.27Å; Y642-S669 PolarHBondContact OH-O 3.14Å |
| 643 | T | 93.3 | Very high | 96.9 | Very high | 35 Ų | 35 | 19.6 Ų | 19.6 | 22% | 0.215 | 11% | 0.107 | C | C | . | . | S | Bend | trans | -107.1 | 172.6 | 173 | 59.4 | 0 | 0 | 0 | 0 | 111.7 | N640 G641 G645 A646 Y665 | N640-T643 PolarHBondContact ND2-OG1 3.29Å; N640-T643 WeakPolarHBondContact O-CB 3.45Å; N640-T643 VanDerWaalsContact O-CG2 3.23Å; N640-T643 WeakPolarHBondContact O-CG2 3.36Å; N640-T643 PolarHBondContact O-N 3.07Å; N640-T643 PolarHBondContact O-OG1 3.12Å; G641-T643 PolarHBondContact O-N 2.7Å; T643-G645 PolarHBondContact O-N 3.01Å; T643-A646 WeakPolarHBondContact O-CB 3.38Å; T643-A646 PolarHBondContact O-N 3.15Å; T643-Y665 HydrophobicContact CG2-CD2 4.2Å |
| 644 | K | 87.7 | Confident | 96.9 | Very high | 191 Ų | 191 | 22.6 Ų | 22.6 | 83% | 0.83 | 12% | 0.119 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 131.2 | 177.7 | -175 | 179.4 | -179.7 | 178.8 | 0 | 109.8 | S563 | S563-K644 PolarHBondContact OG-O 2.92Š|
| 645 | G | 90.8 | Very high | 96.8 | Very high | 40 Ų | 40 | 22.5 Ų | 22.5 | 41% | 0.412 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | -3.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | T643 | T643-G645 PolarHBondContact O-N 3.01Š|
| 646 | A | 95.3 | Very high | 96.8 | Very high | 28 Ų | 28 | 22.5 Ų | 22.5 | 23% | 0.231 | 12% | 0.118 | C | C | . | . | trans | -60 | 139.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | N640 G641 T643 | N640-A646 HydrophobicContact CB-CB 3.79Å; G641-A646 WeakPolarHBondContact O-CB 3.39Å; T643-A646 WeakPolarHBondContact O-CB 3.38Å; T643-A646 PolarHBondContact O-N 3.15Å | ||
| 647 | R | 95.7 | Very high | 96.8 | Very high | 34 Ų | 34 | 22.7 Ų | 22.7 | 13% | 0.128 | 12% | 0.12 | C | C | . | . | trans | -125.1 | 65.8 | 171 | -69.1 | 173.7 | 59.4 | -173.9 | 4.1 | 109.6 | L593 L615 I618 P619 N621 E649 L650 | L593-R647 HydrophobicContact CD1-CB 3.97Å; L593-R647 HydrophobicContact CD1-CG 4.27Å; L615-R647 PolarHBondContact O-NH1 3.5Å; I618-R647 PolarHBondContact O-NH1 3.41Å; I618-R647 VanDerWaalsContact O-NH1 3.15Å; I618-R647 PolarHBondContact O-NH2 2.97Å; P619-R647 PolarHBondContact O-NH2 3.32Å; P619-R647 VanDerWaalsContact O-NH2 3.15Å; N621-R647 VanDerWaalsContact OD1-CZ 3.29Å; N621-R647 PolarHBondContact OD1-NE 2.87Å; N621-R647 PolarHBondContact OD1-NH2 3.18Å; R647-E649 WeakPolarHBondContact CA-OE2 3.46Å; R647-E649 PolarHBondContact O-N 3.35Å; R647-E649 VanDerWaalsContact O-N 3.12Å; R647-L650 HydrophobicContact CB-CD1 4.02Å; R647-L650 HydrophobicContact CB-CG 4Å; R647-L650 WeakPolarHBondContact O-CB 3.28Å; R647-L650 WeakPolarHBondContact O-CG 3.49Å; R647-L650 PolarHBondContact O-N 2.9Å | ||
| 648 | N | 97.9 | Very high | 96.8 | Very high | 11 Ų | 11 | 22.9 Ų | 22.9 | 6% | 0.059 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.5 | -177.8 | -66.3 | -38.4 | 0 | 0 | 0 | 112.6 | N638 G641 L650 F651 A652 F673 | N638-N648 PolarHBondContact ND2-OD1 3.4Å; G641-N648 PolarHBondContact O-ND2 2.86Å; G641-N648 PolarHBondContact O-OD1 3.42Å; N648-L650 PolarHBondContact O-N 3.03Å; N648-F651 PolarHBondContact O-N 2.65Å; N648-A652 PolarHBondContact O-N 3.42Å; N648-F673 HydrophobicContact CB-CZ 4.39Å |
| 649 | E | 95.2 | Very high | 96.8 | Very high | 20 Ų | 20 | 22.8 Ų | 22.8 | 9% | 0.093 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.4 | -31 | 168.6 | -63.3 | 85.7 | 173.6 | 0 | 0 | 112.6 | C531 K534 I535 N621 R647 F651 A652 L653 | C531-E649 HydrophobicContact CB-CG 4.39Å; K534-E649 HydrophobicContact CB-CG 4.35Å; K534-E649 HydrophobicContact CD-CG 4.23Å; K534-E649 VanDerWaalsContact CD-OE1 3.25Å; K534-E649 WeakPolarHBondContact CD-OE1 3.33Å; K534-E649 IonicContact NZ-OE1 3.26Å; K534-E649 PolarHBondContact NZ-OE1 3.32Å; I535-E649 HydrophobicContact CG2-CB 3.68Å; I535-E649 HydrophobicContact CG2-CG 4.1Å; N621-E649 HydrophobicContact CB-CB 4.09Å; N621-E649 VanDerWaalsContact ND2-CB 3.33Å; N621-E649 WeakPolarHBondContact ND2-CB 3.4Å; R647-E649 WeakPolarHBondContact CA-OE2 3.46Å; R647-E649 PolarHBondContact O-N 3.35Å; R647-E649 VanDerWaalsContact O-N 3.12Å; E649-F651 VanDerWaalsContact C-N 3.35Å; E649-A652 PolarHBondContact O-N 3.05Å; E649-L653 PolarHBondContact O-N 2.83Å |
| 650 | L | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.8 | -41.9 | 174.9 | -58.2 | -179.2 | 0 | 0 | 0 | 111.5 | V561 L593 L615 N621 A624 I628 R647 N648 P655 | V561-L650 HydrophobicContact CG1-CD1 4.46Å; L593-L650 HydrophobicContact CD2-CD1 3.71Å; L615-L650 HydrophobicContact CD1-CD1 3.92Å; N621-L650 HydrophobicContact CB-CD2 4.11Å; A624-L650 HydrophobicContact CB-CD2 3.54Å; I628-L650 HydrophobicContact CD1-CD1 4.44Å; R647-L650 HydrophobicContact CB-CD1 4.02Å; R647-L650 HydrophobicContact CB-CG 4Å; R647-L650 WeakPolarHBondContact O-CB 3.28Å; R647-L650 WeakPolarHBondContact O-CG 3.49Å; R647-L650 PolarHBondContact O-N 2.9Å; N648-L650 PolarHBondContact O-N 3.03Å; L650-P655 WeakPolarHBondContact O-CD 3.49Å |
| 651 | F | 98.8 | Very high | 96.8 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.009 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -75.3 | -34.9 | 178 | -69.2 | -89.7 | 0 | 0 | 0 | 111.7 | V561 L636 N638 N648 E649 L653 R654 Q659 F673 M674 | V561-F651 HydrophobicContact CB-CE2 3.93Å; V561-F651 HydrophobicContact CB-CZ 3.68Å; V561-F651 HydrophobicContact CG1-CE2 4.04Å; V561-F651 HydrophobicContact CG1-CZ 4.31Å; V561-F651 HydrophobicContact CG2-CE1 4.48Å; V561-F651 HydrophobicContact CG2-CE2 4.11Å; V561-F651 HydrophobicContact CG2-CZ 3.6Å; L636-F651 HydrophobicContact CB-CE1 4.12Å; L636-F651 HydrophobicContact CD2-CD1 3.84Å; L636-F651 HydrophobicContact CD2-CE1 3.55Å; L636-F651 HydrophobicContact CD2-CZ 4.04Å; L636-F651 HydrophobicContact CG-CD1 4.31Å; L636-F651 HydrophobicContact CG-CE1 3.57Å; L636-F651 HydrophobicContact CG-CZ 4.01Å; N638-F651 HydrophobicContact CB-CD1 4.18Å; N638-F651 HydrophobicContact CB-CD2 4.33Å; N638-F651 HydrophobicContact CB-CE1 3.61Å; N638-F651 HydrophobicContact CB-CE2 3.79Å; N638-F651 HydrophobicContact CB-CZ 3.4Å; N638-F651 WeakPolarHBondContact ND2-CD2 3.45Å; N648-F651 PolarHBondContact O-N 2.65Å; E649-F651 VanDerWaalsContact C-N 3.35Å; F651-L653 PolarHBondContact O-N 3.4Å; F651-R654 WeakPolarHBondContact O-CG 3.4Å; F651-R654 PolarHBondContact O-N 2.91Å; F651-Q659 HydrophobicContact CD1-CB 4.19Å; F651-Q659 HydrophobicContact CD1-CG 4.43Å; F651-Q659 PolarHBondContact O-NE2 3.19Å; F651-F673 HydrophobicContact CB-CD2 3.71Å; F651-F673 HydrophobicContact CB-CE2 3.83Å; F651-M674 HydrophobicContact CB-SD 3.93Å; F651-M674 HydrophobicContact CD1-CE 4.13Å; F651-M674 HydrophobicContact CD1-SD 3.67Å; F651-M674 HydrophobicContact CE1-CE 4.38Å; F651-M674 HydrophobicContact CE1-SD 4.45Å; F651-M674 HydrophobicContact CG-SD 3.96Å |
| 652 | A | 97.8 | Very high | 96.9 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 7% | 0.074 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -33 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | C531 L532 I535 N648 E649 R654 F673 | C531-A652 HydrophobicContact CB-CB 4.21Å; L532-A652 HydrophobicContact CD2-CB 4.14Å; I535-A652 VanDerWaalsContact CD1-C 3.41Å; I535-A652 HydrophobicContact CD1-CB 3.63Å; I535-A652 WeakPolarHBondContact CD1-O 3.31Å; I535-A652 HydrophobicContact CG1-CB 4.29Å; I535-A652 HydrophobicContact CG2-CB 4.44Å; N648-A652 PolarHBondContact O-N 3.42Å; E649-A652 PolarHBondContact O-N 3.05Å; A652-R654 PolarHBondContact O-N 3.05Å; A652-F673 HydrophobicContact CB-CD1 3.73Å; A652-F673 HydrophobicContact CB-CE1 3.69Å; A652-F673 HydrophobicContact CB-CG 4.26Å; A652-F673 HydrophobicContact CB-CZ 4.21Å |
| 653 | L | 97.8 | Very high | 96.9 | Very high | 17 Ų | 17 | 23 Ų | 23 | 9% | 0.089 | 12% | 0.121 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -9.7 | 175 | -78 | 165.1 | 0 | 0 | 0 | 113.8 | I535 L538 K540 Y543 A625 E649 F651 | I535-L653 HydrophobicContact CB-CD2 4.13Å; I535-L653 HydrophobicContact CB-CG 4.15Å; I535-L653 HydrophobicContact CD1-CD2 3.91Å; I535-L653 HydrophobicContact CD1-CG 3.9Å; I535-L653 HydrophobicContact CG2-CD1 4.31Å; I535-L653 HydrophobicContact CG2-CG 4.03Å; L538-L653 HydrophobicContact CD1-CD1 4.33Å; K540-L653 HydrophobicContact CB-CD2 3.81Å; K540-L653 HydrophobicContact CG-CD2 3.95Å; Y543-L653 VanDerWaalsContact CD2-O 3.25Å; Y543-L653 WeakPolarHBondContact CD2-O 3.46Å; Y543-L653 HydrophobicContact CE2-CB 4.24Å; Y543-L653 VanDerWaalsContact CE2-O 3.27Å; Y543-L653 WeakPolarHBondContact CE2-O 3.28Å; A625-L653 HydrophobicContact CB-CB 3.96Å; A625-L653 HydrophobicContact CB-CD1 3.55Å; A625-L653 HydrophobicContact CB-CG 4.38Å; E649-L653 PolarHBondContact O-N 2.83Å; F651-L653 PolarHBondContact O-N 3.4Å |
| 654 | R | 98.6 | Very high | 97 | Very high | 65 Ų | 65 | 22.2 Ų | 22.2 | 25% | 0.245 | 12% | 0.12 | C | C | . | . | trans | 47.1 | 56.8 | -179.9 | -59.8 | -160.9 | 65.3 | 112.3 | 11.2 | 115.1 | H545 F651 A652 A656 P657 L672 F673 D675 | H545-R654 PolarHBondContact NE2-O 2.87Å; F651-R654 WeakPolarHBondContact O-CG 3.4Å; F651-R654 PolarHBondContact O-N 2.91Å; A652-R654 PolarHBondContact O-N 3.05Å; R654-A656 PolarHBondContact O-N 3.33Å; R654-P657 PolarHBondContact NH2-O 3.32Å; R654-L672 PolarHBondContact NH1-O 3.48Å; R654-F673 HydrophobicContact CG-CB 4.01Å; R654-F673 PolarHBondContact NH1-O 3.27Å; R654-D675 IonicContact CZ-OD1 3.08Å; R654-D675 IonicContact CZ-OD2 2.67Å; R654-D675 IonicContact NH1-OD1 3.01Å; R654-D675 PolarHBondContact NH1-OD1 3.29Å; R654-D675 IonicContact NH1-OD2 3.16Å; R654-D675 IonicContact NH2-OD1 2.89Å; R654-D675 PolarHBondContact NH2-OD1 3.02Å; R654-D675 IonicContact NH2-OD2 3.7Å; R654-D675 PolarHBondContact NH2-OD2 3.04Å | ||
| 655 | P | 98.7 | Very high | 97.5 | Very high | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.006 | 8% | 0.084 | C | C | . | . | trans | -70.4 | -12 | 178.8 | 30.7 | -37.1 | 0 | 0 | 0 | 114.3 | Y543 A625 I628 H629 L636 L650 | Y543-P655 HydrophobicContact CD2-CB 4.29Å; Y543-P655 HydrophobicContact CE2-CB 4.19Å; A625-P655 HydrophobicContact CB-CB 4.42Å; A625-P655 HydrophobicContact CB-CG 4.45Å; A625-P655 WeakPolarHBondContact O-CB 3.49Å; I628-P655 HydrophobicContact CB-CB 4.12Å; I628-P655 HydrophobicContact CB-CG 4.13Å; I628-P655 HydrophobicContact CD1-CG 4.41Å; I628-P655 HydrophobicContact CG2-CB 3.94Å; I628-P655 HydrophobicContact CG2-CG 3.79Å; H629-P655 HydrophobicContact CB-CB 4.11Å; H629-P655 PolarHBondContact ND1-O 3.33Å; L636-P655 HydrophobicContact CD2-CG 3.97Å; L650-P655 WeakPolarHBondContact O-CD 3.49Å | ||
| 656 | A | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | S | Bend | trans | -125 | 153.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | I633 L636 R654 | I633-A656 HydrophobicContact CB-CB 4.27Å; I633-A656 HydrophobicContact CG2-CB 4.07Å; L636-A656 HydrophobicContact CB-CB 3.71Å; R654-A656 PolarHBondContact O-N 3.33Å |
| 657 | P | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 12.1 Ų | 12.1 | 3% | 0.032 | 7% | 0.065 | C | C | . | . | S | Bend | trans | -67.8 | -38.9 | -178.3 | 19.9 | -25.8 | 0 | 0 | 0 | 113.8 | H545 I633 H634 R654 W1024 Y1027 | H545-P657 HydrophobicContact CB-CB 3.65Å; H545-P657 HydrophobicContact CB-CG 3.92Å; H545-P657 WeakPolarHBondContact ND1-CA 3.25Å; I633-P657 VanDerWaalsContact O-CD 3.31Å; I633-P657 WeakPolarHBondContact O-CD 3.38Å; H634-P657 VanDerWaalsContact O-CD 3.31Å; H634-P657 WeakPolarHBondContact O-CD 3.31Å; H634-P657 VanDerWaalsContact O-CG 3.27Å; H634-P657 WeakPolarHBondContact O-CG 3.22Å; R654-P657 PolarHBondContact NH2-O 3.32Å; P657-W1024 HydrophobicContact CG-CZ3 4.13Å; P657-Y1027 HydrophobicContact CB-CD1 4.21Å; P657-Y1027 HydrophobicContact CB-CD2 4.26Å; P657-Y1027 HydrophobicContact CB-CE1 3.59Å; P657-Y1027 HydrophobicContact CB-CE2 3.61Å; P657-Y1027 WeakPolarHBondContact CB-OH 3.42Å; P657-Y1027 HydrophobicContact CG-CE1 4.18Å |
| 658 | I | 98.9 | Very high | 98 | Very high | 4 Ų | 4 | 11.1 Ų | 11.1 | 2% | 0.021 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.2 | 179.6 | -57.2 | 163.9 | 0 | 0 | 0 | 108.2 | H634 I635 L636 D675 Y676 M1023 W1024 Y1027 | H634-I658 PolarHBondContact O-N 3.23Å; I635-I658 WeakPolarHBondContact CA-O 3.35Å; I635-I658 HydrophobicContact CD1-CD1 4.45Å; I635-I658 HydrophobicContact CG1-CB 4.14Å; I635-I658 HydrophobicContact CG1-CD1 4.1Å; I635-I658 HydrophobicContact CG1-CG2 4.33Å; I635-I658 HydrophobicContact CG2-CG2 4.35Å; L636-I658 PolarHBondContact N-O 3.18Å; I658-D675 WeakPolarHBondContact CA-OD2 3.49Å; I658-Y676 HydrophobicContact CG2-CD2 3.85Å; I658-Y676 HydrophobicContact CG2-CE2 4.11Å; I658-M1023 HydrophobicContact CD1-CB 4.2Å; I658-M1023 WeakPolarHBondContact CD1-O 3.39Å; I658-M1023 HydrophobicContact CG2-CB 4.48Å; I658-M1023 HydrophobicContact CG2-SD 4.42Å; I658-W1024 HydrophobicContact CD1-CE3 4.08Å; I658-Y1027 HydrophobicContact CD1-CG 4.2Å; I658-Y1027 HydrophobicContact CG1-CD2 4.28Å; I658-Y1027 HydrophobicContact CG1-CG 4.14Å |
| 659 | Q | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 10.8 Ų | 10.8 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 125.3 | 176.2 | -50.5 | -164.8 | 147.7 | 0 | 0 | 110.5 | L636 F651 F673 M674 D675 Y676 | L636-Q659 HydrophobicContact CB-CG 4.42Å; L636-Q659 CarbonylContact O-C 3.59Å; L636-Q659 VanDerWaalsContact O-CA 3.24Å; L636-Q659 WeakPolarHBondContact O-CA 3.14Å; F651-Q659 HydrophobicContact CD1-CB 4.19Å; F651-Q659 HydrophobicContact CD1-CG 4.43Å; F651-Q659 PolarHBondContact O-NE2 3.19Å; Q659-F673 PolarHBondContact NE2-O 3.4Å; Q659-M674 HydrophobicContact CB-CE 3.97Å; Q659-M674 HydrophobicContact CB-SD 4.12Å; Q659-D675 PolarHBondContact N-OD2 2.87Å; Q659-D675 WeakPolarHBondContact O-CB 3.37Å; Q659-D675 PolarHBondContact O-N 3.42Å; Q659-Y676 PolarHBondContact O-N 3.1Å |
| 660 | A | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.058 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 137.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L636 V637 N638 M674 Y676 I678 | L636-A660 PolarHBondContact O-N 3.36Å; V637-A660 CarbonylContact C-O 3.59Å; V637-A660 WeakPolarHBondContact CA-O 3.42Å; N638-A660 PolarHBondContact N-O 3Å; A660-M674 WeakPolarHBondContact O-CE 3.34Å; A660-Y676 CarbonylContact C-O 3.57Å; A660-Y676 VanDerWaalsContact CA-O 3.29Å; A660-Y676 WeakPolarHBondContact CA-O 3.21Å; A660-I678 HydrophobicContact CB-CD1 4.24Å; A660-I678 HydrophobicContact CB-CG1 4.28Å |
| 661 | M | 98.9 | Very high | 98.2 | Very high | 4 Ų | 4 | 10 Ų | 10 | 2% | 0.02 | 6% | 0.059 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 135.4 | 167.9 | -65.9 | -66.6 | -66.1 | 0 | 0 | 109.6 | N638 Y665 M674 Y676 I677 I678 E694 | N638-M661 HydrophobicContact CB-SD 3.73Å; M661-Y665 HydrophobicContact CE-CD1 3.86Å; M661-Y665 HydrophobicContact CE-CG 4.34Å; M661-M674 HydrophobicContact CG-CB 4.26Å; M661-M674 HydrophobicContact CG-CE 3.82Å; M661-M674 HydrophobicContact CG-CG 4.18Å; M661-M674 HydrophobicContact SD-CE 3.73Å; M661-M674 HydrophobicContact SD-CG 3.99Å; M661-M674 HydrophobicContact SD-SD 4.29Å; M661-Y676 PolarHBondContact N-O 3.08Å; M661-I677 HydrophobicContact CB-CB 4.2Å; M661-I677 HydrophobicContact CB-CD1 4.45Å; M661-I677 HydrophobicContact CB-CG1 4.08Å; M661-I678 PolarHBondContact O-N 3.25Å; M661-E694 HydrophobicContact CG-CG 4.38Å; M661-E694 WeakPolarHBondContact CG-OE1 3.38Å |
| 662 | W | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 17 Ų | 17 | 2% | 0.019 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 135.1 | 178.2 | -179.1 | 54.4 | 0 | 0 | 0 | 113.2 | Y560 M574 I577 V637 N638 M639 G664 I678 Y1012 L1016 | Y560-W662 AromaticContact CD1-CE3 3.94Å; Y560-W662 HydrophobicContact CD1-CE3 3.94Å; Y560-W662 AromaticContact CD1-CZ3 3.73Å; Y560-W662 HydrophobicContact CD1-CZ3 3.73Å; Y560-W662 AromaticContact CE1-CE3 3.73Å; Y560-W662 HydrophobicContact CE1-CE3 3.73Å; Y560-W662 HydrophobicContact CE1-CH2 4.27Å; Y560-W662 AromaticContact CE1-CZ3 3.43Å; Y560-W662 HydrophobicContact CE1-CZ3 3.43Å; Y560-W662 VanDerWaalsContact CE1-CZ3 3.43Å; M574-W662 HydrophobicContact CB-CH2 3.75Å; M574-W662 HydrophobicContact CB-CZ2 4.49Å; M574-W662 HydrophobicContact CB-CZ3 4.38Å; M574-W662 HydrophobicContact CE-CH2 4.37Å; M574-W662 HydrophobicContact CE-CZ3 4.05Å; M574-W662 HydrophobicContact CG-CH2 4.1Å; M574-W662 HydrophobicContact CG-CZ3 4.25Å; I577-W662 HydrophobicContact CG1-CH2 4.39Å; I577-W662 HydrophobicContact CG2-CH2 4.32Å; V637-W662 HydrophobicContact CG1-CB 3.48Å; V637-W662 VanDerWaalsContact CG1-CB 3.48Å; V637-W662 HydrophobicContact CG1-CD2 4.32Å; V637-W662 HydrophobicContact CG1-CE3 3.88Å; V637-W662 HydrophobicContact CG1-CG 4.24Å; N638-W662 PolarHBondContact O-N 3.37Å; M639-W662 WeakPolarHBondContact CA-O 3.34Å; M639-W662 HydrophobicContact CE-CE3 4Å; M639-W662 HydrophobicContact CE-CZ3 3.76Å; M639-W662 HydrophobicContact CG-CE3 3.98Å; M639-W662 HydrophobicContact SD-CE3 3.95Å; M639-W662 HydrophobicContact SD-CZ3 3.93Å; W662-G664 VanDerWaalsContact C-N 3.28Å; W662-G664 PolarHBondContact O-N 2.91Å; W662-I678 HydrophobicContact CB-CB 4.3Å; W662-I678 HydrophobicContact CB-CD1 4.12Å; W662-I678 HydrophobicContact CG-CB 4.31Å; W662-I678 HydrophobicContact CG-CD1 4.19Å; W662-Y1012 AromaticContact CZ2-CE1 3.76Å; W662-Y1012 HydrophobicContact CZ2-CE1 3.76Å; W662-Y1012 PolarHBondContact NE1-OH 2.95Å; W662-L1016 HydrophobicContact CH2-CD2 4.43Å; W662-L1016 HydrophobicContact CZ2-CD2 4.17Å |
| 663 | L | 97.4 | Very high | 98.1 | Very high | 11 Ų | 11 | 16.9 Ų | 16.9 | 6% | 0.058 | 9% | 0.093 | C | C | . | . | S | Bend | trans | 63.3 | -59.9 | 165.1 | -167.1 | 63.8 | 0 | 0 | 0 | 117.2 | L573 M574 Y665 F704 I705 | L573-L663 HydrophobicContact CB-CD2 4.04Å; L573-L663 HydrophobicContact CD1-CD1 4.06Å; L573-L663 HydrophobicContact CD1-CD2 4.41Å; L573-L663 HydrophobicContact CD1-CG 4.26Å; M574-L663 HydrophobicContact CB-CD2 3.8Å; M574-L663 HydrophobicContact CG-CD2 3.72Å; L663-Y665 PolarHBondContact O-N 3.12Å; L663-F704 HydrophobicContact CD1-CD2 4.12Å; L663-F704 HydrophobicContact CD1-CE2 4.1Å; L663-I705 HydrophobicContact CD2-CG2 4.32Å |
| 664 | G | 94.4 | Very high | 98.2 | Very high | 19 Ų | 19 | 16.3 Ų | 16.3 | 20% | 0.196 | 9% | 0.09 | C | C | . | . | S | Bend | trans | -76.6 | -15.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 116 | M639 W662 | M639-G664 WeakPolarHBondContact O-CA 3.26Å; W662-G664 VanDerWaalsContact C-N 3.28Å; W662-G664 PolarHBondContact O-N 2.91Å |
| 665 | Y | 98.2 | Very high | 98.2 | Very high | 19 Ų | 19 | 14 Ų | 14 | 8% | 0.075 | 8% | 0.082 | C | C | . | . | trans | -125.3 | 119.7 | 176.6 | -175.2 | -109.8 | 0 | 0 | 0 | 111.7 | P507 H508 N640 Y642 T643 M661 L663 G667 T668 | P507-Y665 VanDerWaalsContact CB-OH 3.32Å; P507-Y665 WeakPolarHBondContact CB-OH 3.36Å; P507-Y665 PolarHBondContact O-OH 3.29Å; H508-Y665 HydrophobicContact CB-CE2 4.02Å; H508-Y665 AromaticContact CD2-CE2 3.91Å; H508-Y665 PolarHBondContact N-OH 3.05Å; N640-Y665 WeakPolarHBondContact O-CB 3.49Å; Y642-Y665 HydrophobicContact CD2-CE1 4.11Å; Y642-Y665 HydrophobicContact CD2-CE2 4.37Å; Y642-Y665 AromaticContact CD2-CZ 3.83Å; T643-Y665 HydrophobicContact CG2-CD2 4.2Å; M661-Y665 HydrophobicContact CE-CD1 3.86Å; M661-Y665 HydrophobicContact CE-CG 4.34Å; L663-Y665 PolarHBondContact O-N 3.12Å; Y665-G667 WeakPolarHBondContact CD1-O 3.34Å; Y665-G667 WeakPolarHBondContact CE1-O 3.37Å; Y665-G667 PolarHBondContact O-N 2.85Å; Y665-T668 WeakPolarHBondContact CE1-O 3.41Å | ||
| 666 | P | 97.3 | Very high | 98.2 | Very high | 16 Ų | 16 | 14.1 Ų | 14.1 | 10% | 0.104 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -87.4 | 52.1 | -173.7 | 36.2 | -37.3 | 0 | 0 | 0 | 112.7 | M511 H930 L951 A952 | M511-P666 HydrophobicContact CE-CG 4.29Å; M511-P666 HydrophobicContact SD-CG 3.97Å; P666-H930 VanDerWaalsContact CB-CE1 3.45Å; P666-H930 WeakPolarHBondContact CB-CE1 3.08Å; P666-L951 HydrophobicContact CB-CD2 3.83Å; P666-A952 HydrophobicContact CB-CB 4.09Å; P666-A952 HydrophobicContact CG-CB 4.45Å |
| 667 | G | 97.5 | Very high | 98.2 | Very high | 13 Ų | 13 | 14.4 Ų | 14.4 | 13% | 0.134 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -174.4 | 178.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y665 | Y665-G667 WeakPolarHBondContact CD1-O 3.34Å; Y665-G667 WeakPolarHBondContact CE1-O 3.37Å; Y665-G667 PolarHBondContact O-N 2.85Å |
| 668 | T | 98.7 | Very high | 98.2 | Very high | 12 Ų | 12 | 14.2 Ų | 14.2 | 7% | 0.074 | 8% | 0.083 | C | C | . | . | trans | -65.3 | 138.7 | 172.8 | -179.4 | 0 | 0 | 0 | 0 | 111.6 | K521 A524 Y665 G670 Q691 S693 E694 | K521-T668 HydrophobicContact CB-CG2 4.36Å; A524-T668 HydrophobicContact CB-CG2 4.16Å; Y665-T668 WeakPolarHBondContact CE1-O 3.41Å; T668-G670 PolarHBondContact OG1-N 2.93Å; T668-Q691 WeakPolarHBondContact CG2-O 3.48Å; T668-S693 PolarHBondContact OG1-N 3.04Å; T668-S693 VanDerWaalsContact OG1-N 3.09Å; T668-S693 PolarHBondContact OG1-OG 2.72Å; T668-E694 PolarHBondContact OG1-OE2 3.21Å | ||
| 669 | S | 98.6 | Very high | 98.2 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 3% | 0.028 | 8% | 0.082 | C | C | . | . | trans | -70.1 | -22.1 | 166.1 | 71.4 | 0 | 0 | 0 | 0 | 111.7 | A524 Y642 A671 M674 E694 | A524-S669 CarbonylContact C-O 3.57Å; A524-S669 WeakPolarHBondContact CB-O 3.46Å; Y642-S669 WeakPolarHBondContact CE2-O 3.49Å; Y642-S669 VanDerWaalsContact CZ-O 3.27Å; Y642-S669 PolarHBondContact OH-O 3.14Å; S669-A671 PolarHBondContact O-N 3.31Å; S669-A671 VanDerWaalsContact O-N 3.09Å; S669-A671 PolarHBondContact OG-N 3.49Å; S669-A671 VanDerWaalsContact OG-N 3.11Å; S669-M674 WeakPolarHBondContact OG-CB 3.38Å; S669-M674 WeakPolarHBondContact OG-CG 3.39Å; S669-E694 WeakPolarHBondContact CA-OE1 3.42Å; S669-E694 WeakPolarHBondContact CB-OE1 3.41Å; S669-E694 PolarHBondContact N-OE1 3.36Å; S669-E694 PolarHBondContact OG-OE1 3.48Å | ||
| 670 | G | 98.1 | Very high | 98.2 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 4% | 0.041 | 8% | 0.082 | C | C | . | . | trans | 63.7 | 5.1 | -171 | 0 | 0 | 0 | 0 | 0 | 113.3 | E525 T668 S693 | E525-G670 VanDerWaalsContact CA-O 3.23Å; E525-G670 WeakPolarHBondContact CA-O 3.21Å; E525-G670 WeakPolarHBondContact CG-O 3.39Å; T668-G670 PolarHBondContact OG1-N 2.93Å; G670-S693 VanDerWaalsContact C-OG 3.25Å; G670-S693 WeakPolarHBondContact CA-OG 3.47Å; G670-S693 PolarHBondContact N-OG 3.46Å | ||
| 671 | A | 97.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | trans | -103.1 | 131.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S669 F673 M674 S693 | S669-A671 PolarHBondContact O-N 3.31Å; S669-A671 VanDerWaalsContact O-N 3.09Å; S669-A671 PolarHBondContact OG-N 3.49Å; S669-A671 VanDerWaalsContact OG-N 3.11Å; A671-F673 HydrophobicContact CB-CD1 3.86Å; A671-F673 HydrophobicContact CB-CD2 3.84Å; A671-F673 HydrophobicContact CB-CE1 3.53Å; A671-F673 HydrophobicContact CB-CE2 3.49Å; A671-F673 VanDerWaalsContact CB-CE2 3.49Å; A671-F673 HydrophobicContact CB-CG 4.01Å; A671-F673 HydrophobicContact CB-CZ 3.33Å; A671-F673 PolarHBondContact O-N 2.83Å; A671-F673 VanDerWaalsContact O-N 3.1Å; A671-M674 HydrophobicContact CB-CG 4.37Å; A671-M674 PolarHBondContact O-N 3.07Å; A671-S693 PolarHBondContact N-OG 2.91Å | ||
| 672 | L | 97.2 | Very high | 98.1 | Very high | 148 Ų | 148 | 23 Ų | 23 | 78% | 0.775 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -16.8 | 175.2 | -67.7 | 174.1 | 0 | 0 | 0 | 113.7 | R654 M674 | R654-L672 PolarHBondContact NH1-O 3.48Å; L672-M674 VanDerWaalsContact C-N 3.34Å |
| 673 | F | 98.2 | Very high | 98.1 | Very high | 6 Ų | 6 | 22.8 Ų | 22.8 | 3% | 0.026 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -7.3 | 175.7 | 56.3 | -108.7 | 0 | 0 | 0 | 113.4 | C531 L532 N648 F651 A652 R654 Q659 A671 | C531-F673 HydrophobicContact CB-CE1 4.32Å; C531-F673 HydrophobicContact CB-CZ 4.41Å; L532-F673 HydrophobicContact CD2-CD1 4.15Å; L532-F673 HydrophobicContact CG-CD1 4.37Å; L532-F673 HydrophobicContact CG-CE1 4.48Å; N648-F673 HydrophobicContact CB-CZ 4.39Å; F651-F673 HydrophobicContact CB-CD2 3.71Å; F651-F673 HydrophobicContact CB-CE2 3.83Å; A652-F673 HydrophobicContact CB-CD1 3.73Å; A652-F673 HydrophobicContact CB-CE1 3.69Å; A652-F673 HydrophobicContact CB-CG 4.26Å; A652-F673 HydrophobicContact CB-CZ 4.21Å; R654-F673 HydrophobicContact CG-CB 4.01Å; R654-F673 PolarHBondContact NH1-O 3.27Å; Q659-F673 PolarHBondContact NE2-O 3.4Å; A671-F673 HydrophobicContact CB-CD1 3.86Å; A671-F673 HydrophobicContact CB-CD2 3.84Å; A671-F673 HydrophobicContact CB-CE1 3.53Å; A671-F673 HydrophobicContact CB-CE2 3.49Å; A671-F673 VanDerWaalsContact CB-CE2 3.49Å; A671-F673 HydrophobicContact CB-CG 4.01Å; A671-F673 HydrophobicContact CB-CZ 3.33Å; A671-F673 PolarHBondContact O-N 2.83Å; A671-F673 VanDerWaalsContact O-N 3.1Å |
| 674 | M | 98.8 | Very high | 98.1 | Very high | 5 Ų | 5 | 22.3 Ų | 22.3 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | trans | -101.5 | 121.9 | 171.7 | -62.1 | -52.3 | -57.3 | 0 | 0 | 109.5 | N638 F651 Q659 A660 M661 S669 A671 L672 E694 | N638-M674 HydrophobicContact CB-CE 3.66Å; N638-M674 HydrophobicContact CB-SD 4.32Å; F651-M674 HydrophobicContact CB-SD 3.93Å; F651-M674 HydrophobicContact CD1-CE 4.13Å; F651-M674 HydrophobicContact CD1-SD 3.67Å; F651-M674 HydrophobicContact CE1-CE 4.38Å; F651-M674 HydrophobicContact CE1-SD 4.45Å; F651-M674 HydrophobicContact CG-SD 3.96Å; Q659-M674 HydrophobicContact CB-CE 3.97Å; Q659-M674 HydrophobicContact CB-SD 4.12Å; A660-M674 WeakPolarHBondContact O-CE 3.34Å; M661-M674 HydrophobicContact CG-CB 4.26Å; M661-M674 HydrophobicContact CG-CE 3.82Å; M661-M674 HydrophobicContact CG-CG 4.18Å; M661-M674 HydrophobicContact SD-CE 3.73Å; M661-M674 HydrophobicContact SD-CG 3.99Å; M661-M674 HydrophobicContact SD-SD 4.29Å; S669-M674 WeakPolarHBondContact OG-CB 3.38Å; S669-M674 WeakPolarHBondContact OG-CG 3.39Å; A671-M674 HydrophobicContact CB-CG 4.37Å; A671-M674 PolarHBondContact O-N 3.07Å; L672-M674 VanDerWaalsContact C-N 3.34Å; M674-E694 HydrophobicContact CB-CG 3.78Å | ||
| 675 | D | 98.8 | Very high | 98.2 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 9% | 0.091 | 12% | 0.116 | C | C | . | . | trans | -87.2 | -42.3 | -172.8 | -55.7 | -51.7 | 0 | 0 | 0 | 111.9 | R654 I658 Q659 K695 P1033 | R654-D675 IonicContact CZ-OD1 3.08Å; R654-D675 IonicContact CZ-OD2 2.67Å; R654-D675 IonicContact NH1-OD1 3.01Å; R654-D675 PolarHBondContact NH1-OD1 3.29Å; R654-D675 IonicContact NH1-OD2 3.16Å; R654-D675 IonicContact NH2-OD1 2.89Å; R654-D675 PolarHBondContact NH2-OD1 3.02Å; R654-D675 IonicContact NH2-OD2 3.7Å; R654-D675 PolarHBondContact NH2-OD2 3.04Å; I658-D675 WeakPolarHBondContact CA-OD2 3.49Å; Q659-D675 PolarHBondContact N-OD2 2.87Å; Q659-D675 WeakPolarHBondContact O-CB 3.37Å; Q659-D675 PolarHBondContact O-N 3.42Å; D675-K695 PolarHBondContact O-N 3.35Å; D675-P1033 HydrophobicContact CB-CB 4.01Å; D675-P1033 HydrophobicContact CB-CG 3.64Å | ||
| 676 | Y | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 24 Ų | 24 | 2% | 0.016 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 153.1 | -173.9 | -70.2 | -80.5 | 0 | 0 | 0 | 112.3 | I658 Q659 A660 M661 E694 K695 A697 M1023 P1033 D1034 M1036 | I658-Y676 HydrophobicContact CG2-CD2 3.85Å; I658-Y676 HydrophobicContact CG2-CE2 4.11Å; Q659-Y676 PolarHBondContact O-N 3.1Å; A660-Y676 CarbonylContact C-O 3.57Å; A660-Y676 VanDerWaalsContact CA-O 3.29Å; A660-Y676 WeakPolarHBondContact CA-O 3.21Å; M661-Y676 PolarHBondContact N-O 3.08Å; Y676-E694 VanDerWaalsContact C-CB 3.48Å; Y676-K695 CarbonylContact C-O 3.52Å; Y676-K695 VanDerWaalsContact CA-O 3.28Å; Y676-K695 WeakPolarHBondContact CA-O 3.32Å; Y676-K695 HydrophobicContact CD1-CB 3.72Å; Y676-K695 HydrophobicContact CE1-CB 3.81Å; Y676-A697 HydrophobicContact CD1-CB 3.94Å; Y676-A697 HydrophobicContact CG-CB 4.49Å; Y676-M1023 HydrophobicContact CD1-CE 4.17Å; Y676-M1023 HydrophobicContact CD2-CE 4.27Å; Y676-M1023 HydrophobicContact CD2-CG 4.24Å; Y676-M1023 HydrophobicContact CD2-SD 4.15Å; Y676-M1023 HydrophobicContact CE2-CB 4.47Å; Y676-M1023 HydrophobicContact CE2-CG 4.15Å; Y676-M1023 HydrophobicContact CG-CE 3.83Å; Y676-M1023 HydrophobicContact CG-SD 4.32Å; Y676-P1033 HydrophobicContact CE2-CB 3.88Å; Y676-P1033 HydrophobicContact CE2-CG 4.37Å; Y676-P1033 WeakPolarHBondContact OH-CA 3.48Å; Y676-D1034 WeakPolarHBondContact CE1-O 3.28Å; Y676-D1034 PolarHBondContact OH-N 2.8Å; Y676-D1034 PolarHBondContact OH-O 3.47Å; Y676-M1036 HydrophobicContact CE1-CG 4.26Å; Y676-M1036 HydrophobicContact CE1-SD 4.25Å |
| 677 | I | 98.9 | Very high | 98.1 | Very high | 5 Ų | 5 | 30.5 Ų | 30.5 | 3% | 0.026 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 118.8 | 161.6 | -178.6 | 160.3 | 0 | 0 | 0 | 108.3 | M661 T679 Y692 E694 K695 L696 A697 L951 | M661-I677 HydrophobicContact CB-CB 4.2Å; M661-I677 HydrophobicContact CB-CD1 4.45Å; M661-I677 HydrophobicContact CB-CG1 4.08Å; I677-T679 PolarHBondContact O-N 3.19Å; I677-Y692 HydrophobicContact CD1-CD1 4.01Å; I677-Y692 HydrophobicContact CD1-CE1 4.15Å; I677-Y692 HydrophobicContact CG2-CD1 4.32Å; I677-Y692 HydrophobicContact CG2-CG 4.45Å; I677-E694 HydrophobicContact CB-CB 3.98Å; I677-E694 HydrophobicContact CB-CG 4.38Å; I677-E694 HydrophobicContact CG2-CB 3.92Å; I677-K695 PolarHBondContact N-O 3.2Å; I677-L696 HydrophobicContact CG2-CD2 3.79Å; I677-A697 PolarHBondContact O-N 3.17Å; I677-L951 HydrophobicContact CD1-CD1 3.92Å |
| 678 | I | 98.9 | Very high | 98 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 1% | 0.01 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 109.7 | 176.1 | -58.5 | 177.6 | 0 | 0 | 0 | 107.3 | A660 M661 W662 A697 M699 L1016 L1019 Y1020 M1023 | A660-I678 HydrophobicContact CB-CD1 4.24Å; A660-I678 HydrophobicContact CB-CG1 4.28Å; M661-I678 PolarHBondContact O-N 3.25Å; W662-I678 HydrophobicContact CB-CB 4.3Å; W662-I678 HydrophobicContact CB-CD1 4.12Å; W662-I678 HydrophobicContact CG-CB 4.31Å; W662-I678 HydrophobicContact CG-CD1 4.19Å; I678-A697 WeakPolarHBondContact CA-O 3.4Å; I678-M699 HydrophobicContact CG2-CG 3.86Å; I678-M699 HydrophobicContact CG2-SD 4.38Å; I678-L1016 HydrophobicContact CD1-CD1 3.88Å; I678-L1016 HydrophobicContact CG2-CD1 4.2Å; I678-L1019 HydrophobicContact CG1-CD2 4.38Å; I678-L1019 HydrophobicContact CG2-CD2 3.96Å; I678-Y1020 HydrophobicContact CD1-CE1 3.66Å; I678-M1023 HydrophobicContact CD1-CE 4.38Å; I678-M1023 HydrophobicContact CG1-CE 3.96Å |
| 679 | T | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | -161.3 | -175.5 | -171.3 | 0 | 0 | 0 | 0 | 108.9 | I677 S684 L696 A697 Y698 M699 | I677-T679 PolarHBondContact O-N 3.19Å; T679-S684 WeakPolarHBondContact OG1-CB 3.31Å; T679-S684 PolarHBondContact OG1-OG 2.87Å; T679-L696 HydrophobicContact CG2-CB 4.42Å; T679-L696 HydrophobicContact CG2-CD2 4.13Å; T679-A697 PolarHBondContact N-O 3.32Å; T679-Y698 HydrophobicContact CG2-CD1 3.86Å; T679-Y698 HydrophobicContact CG2-CE1 3.86Å; T679-Y698 CarbonylContact O-C 3.41Å; T679-Y698 WeakPolarHBondContact O-CA 3.5Å; T679-M699 PolarHBondContact O-N 3.32Å |
| 680 | D | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -144.5 | 171.9 | 174 | 62 | 83 | 0 | 0 | 0 | 110.9 | E682 T683 S684 T702 F703 S958 | D680-E682 VanDerWaalsContact C-N 3.32Å; D680-E682 PolarHBondContact O-N 3.05Å; D680-E682 WeakPolarHBondContact OD1-CA 3.34Å; D680-E682 WeakPolarHBondContact OD1-CB 3.44Å; D680-E682 PolarHBondContact OD1-N 3.42Å; D680-T683 VanDerWaalsContact CG-OG1 3.3Å; D680-T683 PolarHBondContact O-N 3.36Å; D680-T683 WeakPolarHBondContact OD1-CB 3.31Å; D680-T683 PolarHBondContact OD1-N 3.22Å; D680-T683 PolarHBondContact OD1-OG1 2.92Å; D680-T683 WeakPolarHBondContact OD2-CB 3.09Å; D680-T683 PolarHBondContact OD2-OG1 2.9Å; D680-S684 PolarHBondContact O-N 3.5Å; D680-T702 WeakPolarHBondContact OD2-CA 3.48Å; D680-T702 PolarHBondContact OD2-OG1 3.4Å; D680-F703 WeakPolarHBondContact OD2-CD1 3.49Å; D680-F703 PolarHBondContact OD2-N 2.86Å; D680-S958 PolarHBondContact OD1-OG 2.95Å; D680-S958 PolarHBondContact OD2-OG 3.03Å | ||
| 681 | Q | 97.9 | Very high | 97.7 | Very high | 127 Ų | 127 | 36.6 Ų | 36.6 | 59% | 0.593 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62 | -37.1 | -176.5 | -177.7 | 171.8 | 5.9 | 0 | 0 | 113.2 | P685 Y698 | Q681-P685 VanDerWaalsContact O-CA 3.28Å; Q681-P685 WeakPolarHBondContact O-CA 3.41Å; Q681-P685 WeakPolarHBondContact O-CB 3.49Å; Q681-Y698 HydrophobicContact CB-CD2 4.16Å; Q681-Y698 HydrophobicContact CB-CE2 3.92Å; Q681-Y698 HydrophobicContact CG-CE2 4.34Å |
| 682 | E | 97.9 | Very high | 97.8 | Very high | 65 Ų | 65 | 36.9 Ų | 36.9 | 30% | 0.304 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -41.9 | -177.7 | -59.6 | -59.7 | 143.7 | 0 | 0 | 110.9 | D680 R954 T961 | D680-E682 VanDerWaalsContact C-N 3.32Å; D680-E682 PolarHBondContact O-N 3.05Å; D680-E682 WeakPolarHBondContact OD1-CA 3.34Å; D680-E682 WeakPolarHBondContact OD1-CB 3.44Å; D680-E682 PolarHBondContact OD1-N 3.42Å; E682-R954 VanDerWaalsContact O-CZ 3.22Å; E682-R954 PolarHBondContact O-NE 3.27Å; E682-R954 PolarHBondContact O-NH2 2.92Å; E682-T961 HydrophobicContact CG-CG2 3.83Å |
| 683 | T | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -43.8 | 179.2 | -62.3 | 0 | 0 | 0 | 0 | 111.8 | D680 F703 L951 R954 S958 | D680-T683 VanDerWaalsContact CG-OG1 3.3Å; D680-T683 PolarHBondContact O-N 3.36Å; D680-T683 WeakPolarHBondContact OD1-CB 3.31Å; D680-T683 PolarHBondContact OD1-N 3.22Å; D680-T683 PolarHBondContact OD1-OG1 2.92Å; D680-T683 WeakPolarHBondContact OD2-CB 3.09Å; D680-T683 PolarHBondContact OD2-OG1 2.9Å; T683-F703 HydrophobicContact CG2-CD1 4.11Å; T683-F703 HydrophobicContact CG2-CE1 3.77Å; T683-L951 HydrophobicContact CG2-CD1 4.42Å; T683-L951 HydrophobicContact CG2-CD2 3.95Å; T683-L951 HydrophobicContact CG2-CG 3.6Å; T683-R954 WeakPolarHBondContact O-CD 3.43Å; T683-R954 PolarHBondContact O-NE 3.29Å; T683-S958 WeakPolarHBondContact OG1-CB 3.38Å; T683-S958 PolarHBondContact OG1-OG 3.14Å |
| 684 | S | 98.2 | Very high | 97.8 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -136.1 | 70.6 | -173.4 | -57.7 | 0 | 0 | 0 | 0 | 110.8 | T679 D680 Y692 Y698 | T679-S684 WeakPolarHBondContact OG1-CB 3.31Å; T679-S684 PolarHBondContact OG1-OG 2.87Å; D680-S684 PolarHBondContact O-N 3.5Å; S684-Y692 PolarHBondContact OG-OH 2.87Å; S684-Y698 WeakPolarHBondContact O-CE1 3.31Å; S684-Y698 PolarHBondContact O-OH 3.07Å |
| 685 | P | 97.4 | Very high | 97.8 | Very high | 16 Ų | 16 | 34.2 Ų | 34.2 | 10% | 0.104 | 18% | 0.179 | C | C | . | . | trans | -62 | 151.8 | -178.4 | 24.6 | -31 | 0 | 0 | 0 | 111.2 | Q681 E687 V688 | Q681-P685 VanDerWaalsContact O-CA 3.28Å; Q681-P685 WeakPolarHBondContact O-CA 3.41Å; Q681-P685 WeakPolarHBondContact O-CB 3.49Å; P685-E687 HydrophobicContact CB-CG 4.13Å; P685-E687 HydrophobicContact CG-CG 4.11Å; P685-E687 PolarHBondContact O-N 3.01Å; P685-V688 HydrophobicContact CG-CG2 3.87Å; P685-V688 VanDerWaalsContact O-CG2 3.23Å; P685-V688 WeakPolarHBondContact O-CG2 3.19Å; P685-V688 PolarHBondContact O-N 3.33Å | ||
| 686 | A | 95.9 | Very high | 97.8 | Very high | 58 Ų | 58 | 33.5 Ų | 33.5 | 48% | 0.479 | 18% | 0.175 | S | C | . | . | G | 310 helix | trans | -59 | -24.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V688 A689 Y698 | A686-V688 PolarHBondContact O-N 3.34Å; A686-A689 VanDerWaalsContact O-CB 3.31Å; A686-A689 WeakPolarHBondContact O-CB 3.42Å; A686-A689 PolarHBondContact O-N 3.47Å; A686-Y698 PolarHBondContact N-OH 3.13Å |
| 687 | E | 95.9 | Very high | 97.8 | Very high | 153 Ų | 153 | 33.3 Ų | 33.3 | 72% | 0.715 | 18% | 0.175 | S | C | * | . | G | 310 helix | trans | -66.2 | -18.7 | 178.3 | 68.6 | -171.3 | 172.4 | 0 | 0 | 114.6 | P685 | P685-E687 HydrophobicContact CB-CG 4.13Å; P685-E687 HydrophobicContact CG-CG 4.11Å; P685-E687 PolarHBondContact O-N 3.01Å |
| 688 | V | 95.9 | Very high | 97.8 | Very high | 18 Ų | 18 | 34.5 Ų | 34.5 | 11% | 0.109 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -117 | 23.7 | 176.7 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | P685 A686 E690 Q691 | P685-V688 HydrophobicContact CG-CG2 3.87Å; P685-V688 VanDerWaalsContact O-CG2 3.23Å; P685-V688 WeakPolarHBondContact O-CG2 3.19Å; P685-V688 PolarHBondContact O-N 3.33Å; A686-V688 PolarHBondContact O-N 3.34Å; V688-E690 VanDerWaalsContact CA-OE2 3.28Å; V688-E690 WeakPolarHBondContact CA-OE2 3.37Å; V688-E690 PolarHBondContact O-N 2.97Å; V688-Q691 VanDerWaalsContact CB-NE2 3.28Å; V688-Q691 VanDerWaalsContact O-CG 3.22Å; V688-Q691 WeakPolarHBondContact O-CG 3.49Å; V688-Q691 PolarHBondContact O-N 3.14Å; V688-Q691 PolarHBondContact O-NE2 3.23Å |
| 689 | A | 97.2 | Very high | 97.8 | Very high | 20 Ų | 20 | 34.5 Ų | 34.5 | 17% | 0.165 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -60.9 | -26.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A686 Q691 Y692 L696 | A686-A689 VanDerWaalsContact O-CB 3.31Å; A686-A689 WeakPolarHBondContact O-CB 3.42Å; A686-A689 PolarHBondContact O-N 3.47Å; A689-Q691 PolarHBondContact O-N 3.11Å; A689-Y692 PolarHBondContact O-N 2.6Å; A689-Y692 VanDerWaalsContact O-N 3.17Å; A689-L696 HydrophobicContact CB-CD1 3.88Å; A689-L696 HydrophobicContact CB-CG 4.48Å |
| 690 | E | 95.6 | Very high | 97.7 | Very high | 108 Ų | 108 | 38.4 Ų | 38.4 | 51% | 0.505 | 21% | 0.205 | S | C | . | . | G | 310 helix | trans | -65.8 | -21.1 | 179.2 | 74.8 | -65.5 | 156.1 | 0 | 0 | 114 | K521 V688 Y692 | K521-E690 WeakPolarHBondContact CD-O 3.45Å; K521-E690 PolarHBondContact NZ-O 3.32Å; V688-E690 VanDerWaalsContact CA-OE2 3.28Å; V688-E690 WeakPolarHBondContact CA-OE2 3.37Å; V688-E690 PolarHBondContact O-N 2.97Å; E690-Y692 PolarHBondContact O-N 3.48Å |
| 691 | Q | 97.3 | Very high | 97.6 | Very high | 15 Ų | 15 | 42 Ų | 42 | 7% | 0.07 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -68.1 | -14.8 | 175.1 | 85.4 | -175.1 | -73.6 | 0 | 0 | 112.5 | H517 T668 V688 A689 | H517-Q691 HydrophobicContact CB-CB 3.75Å; T668-Q691 WeakPolarHBondContact CG2-O 3.48Å; V688-Q691 VanDerWaalsContact CB-NE2 3.28Å; V688-Q691 VanDerWaalsContact O-CG 3.22Å; V688-Q691 WeakPolarHBondContact O-CG 3.49Å; V688-Q691 PolarHBondContact O-N 3.14Å; V688-Q691 PolarHBondContact O-NE2 3.23Å; A689-Q691 PolarHBondContact O-N 3.11Å |
| 692 | Y | 98.6 | Very high | 97.7 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 2% | 0.024 | 19% | 0.194 | C | C | . | . | trans | -105 | 147.4 | -179.8 | -50.9 | -82.7 | 0 | 0 | 0 | 111.3 | K521 I677 S684 A689 E690 L696 L951 | K521-Y692 WeakPolarHBondContact CE-O 3.42Å; K521-Y692 PolarHBondContact NZ-O 3.35Å; I677-Y692 HydrophobicContact CD1-CD1 4.01Å; I677-Y692 HydrophobicContact CD1-CE1 4.15Å; I677-Y692 HydrophobicContact CG2-CD1 4.32Å; I677-Y692 HydrophobicContact CG2-CG 4.45Å; S684-Y692 PolarHBondContact OG-OH 2.87Å; A689-Y692 PolarHBondContact O-N 2.6Å; A689-Y692 VanDerWaalsContact O-N 3.17Å; E690-Y692 PolarHBondContact O-N 3.48Å; Y692-L696 HydrophobicContact CD2-CD2 3.56Å; Y692-L696 HydrophobicContact CE2-CD2 3.96Å; Y692-L696 HydrophobicContact CG-CD2 4.01Å; Y692-L951 HydrophobicContact CE1-CB 4.35Å; Y692-L951 HydrophobicContact CE1-CD1 3.94Å | ||
| 693 | S | 98.4 | Very high | 97.7 | Very high | 37 Ų | 37 | 33.4 Ų | 33.4 | 26% | 0.259 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -83 | -32.6 | 167.2 | 46.4 | 0 | 0 | 0 | 0 | 111.6 | T668 G670 A671 | T668-S693 PolarHBondContact OG1-N 3.04Å; T668-S693 VanDerWaalsContact OG1-N 3.09Å; T668-S693 PolarHBondContact OG1-OG 2.72Å; G670-S693 VanDerWaalsContact C-OG 3.25Å; G670-S693 WeakPolarHBondContact CA-OG 3.47Å; G670-S693 PolarHBondContact N-OG 3.46Å; A671-S693 PolarHBondContact N-OG 2.91Å |
| 694 | E | 98.7 | Very high | 97.7 | Very high | 3 Ų | 3 | 33.7 Ų | 33.7 | 1% | 0.014 | 18% | 0.182 | C | C | . | . | S | Bend | trans | -81 | 160.6 | -177 | -54.7 | 88.6 | 154.4 | 0 | 0 | 111 | M661 T668 S669 M674 Y676 I677 | M661-E694 HydrophobicContact CG-CG 4.38Å; M661-E694 WeakPolarHBondContact CG-OE1 3.38Å; T668-E694 PolarHBondContact OG1-OE2 3.21Å; S669-E694 WeakPolarHBondContact CA-OE1 3.42Å; S669-E694 WeakPolarHBondContact CB-OE1 3.41Å; S669-E694 PolarHBondContact N-OE1 3.36Å; S669-E694 PolarHBondContact OG-OE1 3.48Å; M674-E694 HydrophobicContact CB-CG 3.78Å; Y676-E694 VanDerWaalsContact C-CB 3.48Å; I677-E694 HydrophobicContact CB-CB 3.98Å; I677-E694 HydrophobicContact CB-CG 4.38Å; I677-E694 HydrophobicContact CG2-CB 3.92Å |
| 695 | K | 98.7 | Very high | 97.7 | Very high | 64 Ų | 64 | 33.7 Ų | 33.7 | 28% | 0.278 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 136.2 | 169.9 | -60.3 | -62.5 | -173.4 | 165.5 | 0 | 110.4 | D675 Y676 I677 A697 P1033 D1034 H1035 | D675-K695 PolarHBondContact O-N 3.35Å; Y676-K695 CarbonylContact C-O 3.52Å; Y676-K695 VanDerWaalsContact CA-O 3.28Å; Y676-K695 WeakPolarHBondContact CA-O 3.32Å; Y676-K695 HydrophobicContact CD1-CB 3.72Å; Y676-K695 HydrophobicContact CE1-CB 3.81Å; I677-K695 PolarHBondContact N-O 3.2Å; K695-A697 PolarHBondContact O-N 3.37Å; K695-P1033 WeakPolarHBondContact CE-O 3.4Å; K695-P1033 HydrophobicContact CG-CB 4.07Å; K695-D1034 IonicContact NZ-OD1 3.88Å; K695-D1034 PolarHBondContact NZ-OD1 3.15Å; K695-H1035 PolarHBondContact NZ-NE2 3.33Å |
| 696 | L | 98.8 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 126.4 | 177.2 | -53.9 | -176.7 | 0 | 0 | 0 | 109.7 | I677 T679 A689 Y692 Y698 H1035 M1036 I1037 | I677-L696 HydrophobicContact CG2-CD2 3.79Å; T679-L696 HydrophobicContact CG2-CB 4.42Å; T679-L696 HydrophobicContact CG2-CD2 4.13Å; A689-L696 HydrophobicContact CB-CD1 3.88Å; A689-L696 HydrophobicContact CB-CG 4.48Å; Y692-L696 HydrophobicContact CD2-CD2 3.56Å; Y692-L696 HydrophobicContact CE2-CD2 3.96Å; Y692-L696 HydrophobicContact CG-CD2 4.01Å; L696-Y698 HydrophobicContact CB-CD1 4.22Å; L696-Y698 HydrophobicContact CB-CE1 3.78Å; L696-Y698 HydrophobicContact CD1-CE1 3.94Å; L696-Y698 HydrophobicContact CG-CE1 4.41Å; L696-H1035 PolarHBondContact N-ND1 2.93Å; L696-M1036 PolarHBondContact O-N 3.39Å; L696-I1037 HydrophobicContact CB-CG2 4.2Å |
| 697 | A | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 109.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | Y676 I677 I678 T679 K695 L1019 M1023 M1036 | Y676-A697 HydrophobicContact CD1-CB 3.94Å; Y676-A697 HydrophobicContact CG-CB 4.49Å; I677-A697 PolarHBondContact O-N 3.17Å; I678-A697 WeakPolarHBondContact CA-O 3.4Å; T679-A697 PolarHBondContact N-O 3.32Å; K695-A697 PolarHBondContact O-N 3.37Å; A697-L1019 HydrophobicContact CB-CD1 4.1Å; A697-L1019 HydrophobicContact CB-CD2 4.05Å; A697-L1019 HydrophobicContact CB-CG 4.34Å; A697-M1023 HydrophobicContact CB-CE 3.25Å; A697-M1036 HydrophobicContact CB-CB 4.47Å |
| 698 | Y | 98.6 | Very high | 98 | Very high | 30 Ų | 30 | 23 Ų | 23 | 12% | 0.118 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 122.9 | -170 | -72.6 | -6.2 | 0 | 0 | 0 | 112.6 | T679 Q681 S684 A686 L696 M1036 I1037 | T679-Y698 HydrophobicContact CG2-CD1 3.86Å; T679-Y698 HydrophobicContact CG2-CE1 3.86Å; T679-Y698 CarbonylContact O-C 3.41Å; T679-Y698 WeakPolarHBondContact O-CA 3.5Å; Q681-Y698 HydrophobicContact CB-CD2 4.16Å; Q681-Y698 HydrophobicContact CB-CE2 3.92Å; Q681-Y698 HydrophobicContact CG-CE2 4.34Å; S684-Y698 WeakPolarHBondContact O-CE1 3.31Å; S684-Y698 PolarHBondContact O-OH 3.07Å; A686-Y698 PolarHBondContact N-OH 3.13Å; L696-Y698 HydrophobicContact CB-CD1 4.22Å; L696-Y698 HydrophobicContact CB-CE1 3.78Å; L696-Y698 HydrophobicContact CD1-CE1 3.94Å; L696-Y698 HydrophobicContact CG-CE1 4.41Å; Y698-M1036 PolarHBondContact N-O 3.02Å; Y698-I1037 HydrophobicContact CD1-CG2 4.24Å; Y698-I1037 HydrophobicContact CD2-CB 3.8Å; Y698-I1037 HydrophobicContact CD2-CG2 3.76Å; Y698-I1037 HydrophobicContact CE1-CG2 4.03Å; Y698-I1037 HydrophobicContact CE2-CB 3.7Å; Y698-I1037 HydrophobicContact CE2-CG2 3.48Å; Y698-I1037 VanDerWaalsContact CE2-CG2 3.48Å; Y698-I1037 HydrophobicContact CG-CB 4.5Å; Y698-I1037 HydrophobicContact CG-CG2 4.12Å |
| 699 | M | 98.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 2% | 0.015 | 13% | 0.125 | C | C | . | . | trans | -66 | 145 | 152.3 | -68.2 | -63.8 | -70.2 | 0 | 0 | 109 | I678 T679 H701 F703 Y1012 E1015 L1016 L1019 | I678-M699 HydrophobicContact CG2-CG 3.86Å; I678-M699 HydrophobicContact CG2-SD 4.38Å; T679-M699 PolarHBondContact O-N 3.32Å; M699-H701 VanDerWaalsContact C-N 3.26Å; M699-H701 PolarHBondContact O-N 2.93Å; M699-F703 HydrophobicContact CG-CB 4.41Å; M699-Y1012 HydrophobicContact CE-CD1 4.22Å; M699-Y1012 HydrophobicContact CE-CD2 3.83Å; M699-Y1012 HydrophobicContact CE-CE1 4.05Å; M699-Y1012 HydrophobicContact CE-CE2 3.69Å; M699-Y1012 HydrophobicContact CE-CG 4.1Å; M699-E1015 HydrophobicContact CE-CB 3.72Å; M699-L1016 HydrophobicContact CE-CB 4.1Å; M699-L1016 HydrophobicContact SD-CB 4.14Å; M699-L1016 HydrophobicContact SD-CD1 3.94Å; M699-L1019 HydrophobicContact CG-CD2 4.47Å; M699-L1019 HydrophobicContact SD-CD2 4.03Å | ||
| 700 | P | 97.2 | Very high | 98.2 | Very high | 83 Ų | 83 | 25.8 Ų | 25.8 | 54% | 0.539 | 14% | 0.136 | S | C | . | . | S | Bend | trans | -72.2 | -17.6 | -171.5 | 28.9 | -36.2 | 0 | 0 | 0 | 114.1 | E1015 | P700-E1015 HydrophobicContact CG-CB 3.98Å; P700-E1015 HydrophobicContact CG-CG 3.73Å; P700-E1015 VanDerWaalsContact CG-OE2 3.23Å; P700-E1015 WeakPolarHBondContact CG-OE2 3.46Å |
| 701 | H | 97.2 | Very high | 98.3 | Very high | 76 Ų | 76 | 20.9 Ų | 20.9 | 35% | 0.352 | 11% | 0.113 | S | C | . | . | S | Bend | trans | -119.8 | -79.9 | -179.7 | -63.2 | -57.4 | 0 | 0 | 0 | 111.4 | M699 C962 E1015 | M699-H701 VanDerWaalsContact C-N 3.26Å; M699-H701 PolarHBondContact O-N 2.93Å; H701-C962 HydrophobicContact CB-CB 4.38Å; H701-E1015 IonicContact CD2-OE1 2.8Å; H701-E1015 PolarHBondContact CD2-OE1 3.12Å; H701-E1015 IonicContact CD2-OE2 3.52Å; H701-E1015 IonicContact NE2-OE1 3.45Å |
| 702 | T | 98.6 | Very high | 98.4 | Very high | 4 Ų | 4 | 20.2 Ų | 20.2 | 3% | 0.025 | 11% | 0.11 | C | C | . | . | trans | -137.8 | 147.6 | 173.6 | 179.7 | 0 | 0 | 0 | 0 | 108.3 | D680 F704 S958 C962 L1006 | D680-T702 WeakPolarHBondContact OD2-CA 3.48Å; D680-T702 PolarHBondContact OD2-OG1 3.4Å; T702-F704 WeakPolarHBondContact CG2-O 3.39Å; T702-F704 PolarHBondContact O-N 3.3Å; T702-F704 PolarHBondContact OG1-N 3.46Å; T702-S958 WeakPolarHBondContact CB-OG 3.34Å; T702-S958 PolarHBondContact OG1-OG 3.17Å; T702-C962 HydrophobicContact CG2-CB 3.61Å; T702-L1006 HydrophobicContact CG2-CD1 3.86Å | ||
| 703 | F | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 21.3 Ų | 21.3 | 3% | 0.026 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -72.1 | -16.8 | 171.1 | 91.6 | -73.6 | 0 | 0 | 0 | 112.2 | D680 T683 M699 L951 V955 Y1012 | D680-F703 WeakPolarHBondContact OD2-CD1 3.49Å; D680-F703 PolarHBondContact OD2-N 2.86Å; T683-F703 HydrophobicContact CG2-CD1 4.11Å; T683-F703 HydrophobicContact CG2-CE1 3.77Å; M699-F703 HydrophobicContact CG-CB 4.41Å; F703-L951 HydrophobicContact CZ-CD2 4.17Å; F703-V955 HydrophobicContact CE1-CG1 4.34Å; F703-V955 HydrophobicContact CE1-CG2 4.14Å; F703-V955 HydrophobicContact CZ-CG2 4.35Å; F703-Y1012 WeakPolarHBondContact O-CE2 3.4Å; F703-Y1012 PolarHBondContact O-OH 3.08Å |
| 704 | F | 98.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 19.7 Ų | 19.7 | 3% | 0.026 | 11% | 0.106 | C | C | . | . | trans | -82.5 | 140 | -176.3 | -138.6 | -96.7 | 0 | 0 | 0 | 111.4 | L573 L663 T702 H930 M934 V955 Q959 | L573-F704 HydrophobicContact CD1-CE1 3.89Å; L573-F704 HydrophobicContact CD1-CE2 4.45Å; L573-F704 HydrophobicContact CD1-CZ 3.62Å; L573-F704 HydrophobicContact CD2-CE1 3.82Å; L573-F704 HydrophobicContact CD2-CZ 4.38Å; L663-F704 HydrophobicContact CD1-CD2 4.12Å; L663-F704 HydrophobicContact CD1-CE2 4.1Å; T702-F704 WeakPolarHBondContact CG2-O 3.39Å; T702-F704 PolarHBondContact O-N 3.3Å; T702-F704 PolarHBondContact OG1-N 3.46Å; F704-H930 VanDerWaalsContact CE1-C 3.47Å; F704-H930 HydrophobicContact CE1-CB 4.42Å; F704-H930 WeakPolarHBondContact CE1-O 3.43Å; F704-H930 HydrophobicContact CE2-CB 3.8Å; F704-H930 VanDerWaalsContact CZ-C 3.44Å; F704-H930 HydrophobicContact CZ-CB 3.54Å; F704-M934 HydrophobicContact CD1-CG 3.44Å; F704-M934 VanDerWaalsContact CD1-CG 3.44Å; F704-M934 HydrophobicContact CD1-SD 3.92Å; F704-M934 HydrophobicContact CE1-CG 3.52Å; F704-V955 HydrophobicContact CB-CG1 4.4Å; F704-V955 HydrophobicContact CD2-CG1 3.58Å; F704-V955 HydrophobicContact CE2-CG1 4Å; F704-V955 HydrophobicContact CG-CG1 3.94Å; F704-Q959 HydrophobicContact CB-CG 4.25Å | ||
| 705 | I | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.106 | C | C | . | . | trans | -137.6 | 159.6 | 178.9 | -169 | 54.1 | 0 | 0 | 0 | 109.7 | L573 I577 L663 T1009 Y1012 | L573-I705 WeakPolarHBondContact CB-O 3.29Å; L573-I705 WeakPolarHBondContact CD2-O 3.46Å; I577-I705 HydrophobicContact CD1-CG1 4.45Å; L663-I705 HydrophobicContact CD2-CG2 4.32Å; I705-T1009 HydrophobicContact CD1-CG2 4.09Å; I705-T1009 HydrophobicContact CG1-CG2 3.93Å; I705-Y1012 HydrophobicContact CB-CD1 4.26Å; I705-Y1012 HydrophobicContact CB-CD2 3.78Å; I705-Y1012 HydrophobicContact CB-CE1 4.26Å; I705-Y1012 HydrophobicContact CB-CE2 3.73Å; I705-Y1012 HydrophobicContact CB-CG 4.05Å; I705-Y1012 HydrophobicContact CD1-CD2 3.83Å; I705-Y1012 HydrophobicContact CD1-CG 3.82Å; I705-Y1012 HydrophobicContact CG1-CD1 4.14Å; I705-Y1012 HydrophobicContact CG1-CD2 3.96Å; I705-Y1012 HydrophobicContact CG1-CE2 4.4Å; I705-Y1012 HydrophobicContact CG1-CG 3.8Å; I705-Y1012 HydrophobicContact CG2-CD1 4.48Å; I705-Y1012 HydrophobicContact CG2-CE1 4.17Å; I705-Y1012 HydrophobicContact CG2-CE2 4.33Å | ||
| 706 | G | 98.2 | Very high | 98.2 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.111 | C | C | . | . | trans | -143.3 | 135.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L573 H708 | L573-G706 CarbonylContact O-C 3.52Å; G706-H708 WeakPolarHBondContact CA-ND1 3.11Å; G706-H708 PolarHBondContact O-N 3.46Å | ||
| 707 | D | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | 13.4 | 178.6 | -160.8 | 51.2 | 0 | 0 | 0 | 112.8 | H572 L573 Q575 S576 A709 N710 M711 | H572-D707 VanDerWaalsContact O-CB 3.3Å; H572-D707 WeakPolarHBondContact O-CB 3.09Å; H572-D707 PolarHBondContact O-N 3.22Å; H572-D707 VanDerWaalsContact O-N 3.16Å; L573-D707 PolarHBondContact O-N 2.97Å; Q575-D707 VanDerWaalsContact CD-OD2 3.26Å; Q575-D707 HydrophobicContact CG-CB 4.12Å; Q575-D707 WeakPolarHBondContact CG-OD2 3.43Å; Q575-D707 PolarHBondContact NE2-OD2 2.97Å; S576-D707 WeakPolarHBondContact CB-OD1 3.34Å; S576-D707 PolarHBondContact OG-OD1 3.41Å; S576-D707 PolarHBondContact OG-OD2 3.01Å; D707-A709 PolarHBondContact O-N 3.48Å; D707-A709 VanDerWaalsContact O-N 3.11Å; D707-N710 PolarHBondContact O-N 2.85Å; D707-N710 PolarHBondContact OD2-ND2 3.12Å; D707-M711 HydrophobicContact CB-CG 4.31Å; D707-M711 HydrophobicContact CB-SD 4.29Å; D707-M711 PolarHBondContact O-N 3.21Å |
| 708 | H | 98.6 | Very high | 97.9 | Very high | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.9 | -31.5 | -174.8 | -56.6 | 65.8 | 0 | 0 | 0 | 113.4 | G706 N710 F712 M934 D935 W938 F1007 | G706-H708 WeakPolarHBondContact CA-ND1 3.11Å; G706-H708 PolarHBondContact O-N 3.46Å; H708-N710 PolarHBondContact O-N 3.36Å; H708-F712 HydrophobicContact CB-CD2 4.06Å; H708-F712 AromaticContact CD2-CD2 3.93Å; H708-F712 AromaticContact CD2-CE2 3.93Å; H708-F712 CarbonylContact O-C 3.51Å; H708-F712 WeakPolarHBondContact O-CA 3.34Å; H708-F712 PolarHBondContact O-N 3.23Å; H708-M934 VanDerWaalsContact CE1-CB 3.46Å; H708-M934 WeakPolarHBondContact CE1-CB 3.4Å; H708-D935 IonicContact CD2-OD1 2.79Å; H708-D935 IonicContact CE1-OD1 3.64Å; H708-D935 IonicContact NE2-OD1 3.63Å; H708-D935 PolarHBondContact NE2-OD1 3.37Å; H708-W938 HydrophobicContact CB-CB 4Å; H708-W938 HydrophobicContact CB-CD2 3.42Å; H708-W938 VanDerWaalsContact CB-CD2 3.42Å; H708-W938 HydrophobicContact CB-CE3 3.88Å; H708-W938 HydrophobicContact CB-CG 3.46Å; H708-W938 VanDerWaalsContact CB-CG 3.46Å; H708-W938 HydrophobicContact CB-CZ2 4.49Å; H708-W938 AromaticContact CD2-CG 3.99Å; H708-W938 WeakPolarHBondContact O-CZ2 3.22Å; H708-W938 PolarHBondContact O-NE1 2.92Å; H708-F1007 HydrophobicContact CB-CD1 3.86Å; H708-F1007 HydrophobicContact CB-CE1 3.93Å; H708-F1007 AromaticContact CG-CE1 3.67Å; H708-F1007 AromaticContact ND1-CD1 3.84Å; H708-F1007 AromaticContact ND1-CE1 3.54Å |
| 709 | A | 98.3 | Very high | 97.8 | Very high | 23 Ų | 23 | 26.7 Ų | 26.7 | 19% | 0.19 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65 | -27 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D707 K716 W938 | D707-A709 PolarHBondContact O-N 3.48Å; D707-A709 VanDerWaalsContact O-N 3.11Å; A709-K716 WeakPolarHBondContact O-CE 3.23Å; A709-K716 PolarHBondContact O-NZ 3.27Å; A709-W938 VanDerWaalsContact CA-CH2 3.4Å; A709-W938 HydrophobicContact CB-CH2 3.64Å; A709-W938 HydrophobicContact CB-CZ2 4.27Å; A709-W938 HydrophobicContact CB-CZ3 4.18Å |
| 710 | N | 98.2 | Very high | 97.8 | Very high | 75 Ų | 75 | 26.6 Ų | 26.6 | 40% | 0.401 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -95.3 | -44.2 | 176 | 172.5 | 64.1 | 0 | 0 | 0 | 111.9 | D707 H708 P713 | D707-N710 PolarHBondContact O-N 2.85Å; D707-N710 PolarHBondContact OD2-ND2 3.12Å; H708-N710 PolarHBondContact O-N 3.36Å; N710-P713 VanDerWaalsContact O-CD 3.27Å; N710-P713 WeakPolarHBondContact O-CD 3.35Å |
| 711 | M | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 23 Ų | 23 | 3% | 0.025 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -71.1 | -40.3 | -179.1 | -68.1 | -179.4 | 66.8 | 0 | 0 | 113.3 | H572 Q575 F601 D707 P713 G820 K908 | H572-M711 HydrophobicContact CB-CE 4.35Å; H572-M711 HydrophobicContact CB-SD 4.02Å; Q575-M711 VanDerWaalsContact NE2-CG 3.27Å; Q575-M711 PolarHBondContact NE2-SD 2.75Å; Q575-M711 VanDerWaalsContact NE2-SD 3.42Å; F601-M711 HydrophobicContact CE1-CE 3.51Å; F601-M711 HydrophobicContact CE1-SD 4.15Å; F601-M711 HydrophobicContact CZ-CE 3.74Å; D707-M711 HydrophobicContact CB-CG 4.31Å; D707-M711 HydrophobicContact CB-SD 4.29Å; D707-M711 PolarHBondContact O-N 3.21Å; M711-P713 WeakPolarHBondContact O-CD 3.33Å; M711-G820 WeakPolarHBondContact CE-O 3.48Å; M711-K908 HydrophobicContact CE-CG 4.49Å |
| 712 | F | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -126.1 | 52 | -171.8 | -43.5 | -60.7 | 0 | 0 | 0 | 113.2 | H708 H714 L715 K908 E909 V912 W938 | H708-F712 HydrophobicContact CB-CD2 4.06Å; H708-F712 AromaticContact CD2-CD2 3.93Å; H708-F712 AromaticContact CD2-CE2 3.93Å; H708-F712 CarbonylContact O-C 3.51Å; H708-F712 WeakPolarHBondContact O-CA 3.34Å; H708-F712 PolarHBondContact O-N 3.23Å; F712-H714 WeakPolarHBondContact CA-ND1 3.34Å; F712-H714 PolarHBondContact O-N 3.42Å; F712-L715 HydrophobicContact CB-CD1 3.88Å; F712-L715 HydrophobicContact CB-CG 4.06Å; F712-L715 HydrophobicContact CG-CD1 4.46Å; F712-L715 PolarHBondContact O-N 2.86Å; F712-L715 VanDerWaalsContact O-N 3.09Å; F712-K908 HydrophobicContact CZ-CG 3.88Å; F712-E909 HydrophobicContact CD1-CB 4.39Å; F712-E909 HydrophobicContact CD1-CG 4.19Å; F712-E909 HydrophobicContact CE1-CB 4.02Å; F712-E909 HydrophobicContact CE1-CG 4.32Å; F712-V912 HydrophobicContact CD2-CB 4.42Å; F712-V912 HydrophobicContact CD2-CG1 4.09Å; F712-V912 HydrophobicContact CD2-CG2 4.24Å; F712-V912 HydrophobicContact CE2-CB 4.36Å; F712-V912 HydrophobicContact CE2-CG1 4.42Å; F712-V912 HydrophobicContact CE2-CG2 3.74Å; F712-V912 HydrophobicContact CZ-CG2 4.08Å; F712-W938 PolarHBondContact O-NE1 3.01Å | ||
| 713 | P | 98.3 | Very high | 96.5 | Very high | 30 Ų | 30 | 23.9 Ų | 23.9 | 20% | 0.195 | 12% | 0.117 | C | C | . | . | G | 310 helix | trans | -66.8 | -23.8 | -179 | 28.3 | -34.4 | 0 | 0 | 0 | 112.3 | N710 M711 L715 K716 I739 V823 | N710-P713 VanDerWaalsContact O-CD 3.27Å; N710-P713 WeakPolarHBondContact O-CD 3.35Å; M711-P713 WeakPolarHBondContact O-CD 3.33Å; P713-L715 PolarHBondContact O-N 3.01Å; P713-K716 HydrophobicContact CB-CD 4.43Å; P713-K716 VanDerWaalsContact O-CB 3.29Å; P713-K716 WeakPolarHBondContact O-CB 3.32Å; P713-K716 WeakPolarHBondContact O-CG 3.4Å; P713-K716 PolarHBondContact O-N 3.28Å; P713-I739 HydrophobicContact CB-CD1 4.42Å; P713-I739 HydrophobicContact CG-CD1 4.2Å; P713-V823 HydrophobicContact CG-CB 4.38Å; P713-V823 HydrophobicContact CG-CG1 3.76Å; P713-V823 HydrophobicContact CG-CG2 3.64Å |
| 714 | H | 98.2 | Very high | 95 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | G | 310 helix | trans | -63.2 | -19.9 | 173.4 | 64.9 | -59.8 | 0 | 0 | 0 | 113 | F712 I739 E909 | F712-H714 WeakPolarHBondContact CA-ND1 3.34Å; F712-H714 PolarHBondContact O-N 3.42Å; H714-I739 HydrophobicContact CB-CD1 4.06Å; H714-I739 HydrophobicContact CB-CG1 4.34Å; H714-E909 IonicContact CD2-OE1 3.28Å; H714-E909 IonicContact CE1-OE1 2.82Å; H714-E909 IonicContact NE2-OE1 3.43Å; H714-E909 PolarHBondContact NE2-OE1 3.31Å |
| 715 | L | 98.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -88.4 | -0.7 | 174.9 | -52.6 | -175.5 | 0 | 0 | 0 | 113.3 | F712 P713 K717 N737 V912 R913 W998 R1001 | F712-L715 HydrophobicContact CB-CD1 3.88Å; F712-L715 HydrophobicContact CB-CG 4.06Å; F712-L715 HydrophobicContact CG-CD1 4.46Å; F712-L715 PolarHBondContact O-N 2.86Å; F712-L715 VanDerWaalsContact O-N 3.09Å; P713-L715 PolarHBondContact O-N 3.01Å; L715-K717 PolarHBondContact O-N 3.47Å; L715-N737 HydrophobicContact CD2-CB 3.76Å; L715-V912 HydrophobicContact CD1-CB 4.41Å; L715-V912 HydrophobicContact CD1-CG1 3.73Å; L715-R913 HydrophobicContact CD1-CB 4.21Å; L715-R913 HydrophobicContact CD2-CB 4.08Å; L715-R913 HydrophobicContact CD2-CG 3.97Å; L715-W998 WeakPolarHBondContact O-CH2 3.25Å; L715-R1001 PolarHBondContact O-NH1 3.01Å; L715-R1001 PolarHBondContact O-NH2 3.48Å |
| 716 | K | 96.2 | Very high | 91.8 | Very high | 89 Ų | 89 | 40.1 Ų | 40.1 | 39% | 0.387 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -64.2 | -26.9 | 174.5 | -72.8 | 177.5 | -178.9 | 161.4 | 0 | 112.5 | A709 P713 W938 R1001 I1002 | A709-K716 WeakPolarHBondContact O-CE 3.23Å; A709-K716 PolarHBondContact O-NZ 3.27Å; P713-K716 HydrophobicContact CB-CD 4.43Å; P713-K716 VanDerWaalsContact O-CB 3.29Å; P713-K716 WeakPolarHBondContact O-CB 3.32Å; P713-K716 WeakPolarHBondContact O-CG 3.4Å; P713-K716 PolarHBondContact O-N 3.28Å; K716-W938 HydrophobicContact CG-CH2 4.18Å; K716-W938 HydrophobicContact CG-CZ2 3.88Å; K716-R1001 PolarHBondContact O-NH2 3.05Å; K716-R1001 VanDerWaalsContact O-NH2 3.14Å; K716-I1002 HydrophobicContact CG-CD1 4.12Å |
| 717 | K | 94.2 | Very high | 90.5 | Very high | 147 Ų | 147 | 43.5 Ų | 43.5 | 64% | 0.639 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -129.1 | 151.6 | 175.9 | -65.3 | -178.7 | -178.1 | 176.8 | 0 | 109.6 | L715 N737 | L715-K717 PolarHBondContact O-N 3.47Å; K717-N737 PolarHBondContact O-ND2 2.98Å |
| 718 | K | 96.4 | Very high | 89.5 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | trans | -138.9 | 152 | 173.6 | 68.7 | 179.1 | 176.9 | 175.3 | 0 | 110.4 | D731 V735 L736 P775 W998 | K718-D731 WeakPolarHBondContact CE-O 3.46Å; K718-D731 PolarHBondContact NZ-O 2.67Å; K718-D731 IonicContact NZ-OD2 3.5Å; K718-D731 PolarHBondContact NZ-OD2 2.92Å; K718-V735 HydrophobicContact CB-CG1 3.87Å; K718-V735 HydrophobicContact CD-CG1 4.2Å; K718-L736 WeakPolarHBondContact CA-O 3.34Å; K718-P775 WeakPolarHBondContact O-CD 3.44Å; K718-W998 HydrophobicContact CB-CH2 3.92Å; K718-W998 HydrophobicContact CB-CZ2 4.28Å; K718-W998 HydrophobicContact CD-CE3 4.48Å; K718-W998 HydrophobicContact CD-CH2 3.67Å; K718-W998 HydrophobicContact CD-CZ2 4.15Å; K718-W998 HydrophobicContact CD-CZ3 3.85Å; K718-W998 HydrophobicContact CG-CH2 3.65Å; K718-W998 HydrophobicContact CG-CZ2 3.77Å; K718-W998 HydrophobicContact CG-CZ3 4.34Å | ||
| 719 | A | 97.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 162.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | V735 L736 L741 L745 P775 | A719-V735 WeakPolarHBondContact O-CA 3.45Å; A719-L736 HydrophobicContact CB-CB 4.41Å; A719-L736 PolarHBondContact N-O 3.41Å; A719-L736 PolarHBondContact O-N 2.93Å; A719-L741 HydrophobicContact CB-CD1 4.2Å; A719-L741 HydrophobicContact CB-CD2 4.07Å; A719-L741 HydrophobicContact CB-CG 4.46Å; A719-L745 HydrophobicContact CB-CD1 4.04Å; A719-L745 HydrophobicContact CB-CD2 3.94Å; A719-L745 HydrophobicContact CB-CG 4.5Å; A719-P775 WeakPolarHBondContact CA-O 3.36Å; A719-P775 HydrophobicContact CB-CB 4.03Å |
| 720 | V | 96.6 | Very high | 88.6 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.006 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 154.5 | 178.9 | -62.7 | 0 | 0 | 0 | 0 | 112 | I729 I734 V735 M774 P775 V776 I777 | V720-I729 HydrophobicContact CG2-CG2 4.36Å; V720-I734 WeakPolarHBondContact CA-O 3.43Å; V720-I734 WeakPolarHBondContact CB-O 3.49Å; V720-V735 HydrophobicContact CG1-CG2 4.48Å; V720-M774 HydrophobicContact CG1-SD 3.95Å; V720-M774 HydrophobicContact CG2-CE 3.71Å; V720-M774 HydrophobicContact CG2-CG 4.37Å; V720-M774 HydrophobicContact CG2-SD 4.07Å; V720-P775 PolarHBondContact N-O 3.43Å; V720-V776 HydrophobicContact CG2-CB 4.34Å; V720-V776 HydrophobicContact CG2-CG1 4.25Å; V720-V776 HydrophobicContact CG2-CG2 3.86Å; V720-V776 CarbonylContact O-C 3.58Å; V720-V776 WeakPolarHBondContact O-CA 3.32Å; V720-I777 PolarHBondContact O-N 2.9Å |
| 721 | I | 95.3 | Very high | 88.4 | Confident | 7 Ų | 7 | 52.6 Ų | 52.6 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 129.7 | 168.1 | -69.3 | 171.3 | 0 | 0 | 0 | 108.7 | F723 I734 L736 I777 A783 V786 I787 | I721-F723 PolarHBondContact O-N 2.9Å; I721-I734 HydrophobicContact CB-CB 4.07Å; I721-I734 HydrophobicContact CB-CD1 4.38Å; I721-I734 HydrophobicContact CB-CG2 3.8Å; I721-I734 HydrophobicContact CD1-CG2 3.83Å; I721-I734 HydrophobicContact CG1-CG2 4.08Å; I721-I734 HydrophobicContact CG2-CD1 4.35Å; I721-I734 PolarHBondContact N-O 3.24Å; I721-L736 HydrophobicContact CD1-CD1 4.03Å; I721-L736 HydrophobicContact CG1-CD1 3.84Å; I721-I777 HydrophobicContact CG1-CB 4.05Å; I721-I777 HydrophobicContact CG1-CD1 4.22Å; I721-I777 HydrophobicContact CG1-CG2 4.43Å; I721-A783 HydrophobicContact CD1-CB 4.32Å; I721-A783 HydrophobicContact CG1-CB 4.45Å; I721-A783 HydrophobicContact CG2-CB 3.67Å; I721-V786 HydrophobicContact CD1-CB 3.87Å; I721-V786 HydrophobicContact CD1-CG1 3.66Å; I721-V786 HydrophobicContact CD1-CG2 4.39Å; I721-I787 HydrophobicContact CG2-CD1 4.25Å |
| 722 | D | 90.7 | Very high | 88.3 | Confident | 42 Ų | 42 | 52.4 Ų | 52.4 | 23% | 0.225 | 27% | 0.267 | C | S | . | . | trans | -78.4 | 97.2 | 176.6 | -170.5 | 10.7 | 0 | 0 | 0 | 110.6 | S725 V776 I777 | D722-S725 WeakPolarHBondContact OD1-CB 3.27Å; D722-S725 PolarHBondContact OD1-OG 3.33Å; D722-S725 PolarHBondContact OD2-OG 3.34Å; D722-V776 HydrophobicContact CB-CG1 3.77Å; D722-I777 PolarHBondContact N-O 3.18Å | ||
| 723 | F | 81.3 | Confident | 88.2 | Confident | 57 Ų | 57 | 53.4 Ų | 53.4 | 25% | 0.25 | 27% | 0.271 | C | S | . | . | trans | -117.1 | 123.8 | -178.5 | -178.1 | -107.7 | 0 | 0 | 0 | 111.3 | I721 S725 I734 M779 I787 | I721-F723 PolarHBondContact O-N 2.9Å; F723-S725 PolarHBondContact O-N 3.29Å; F723-S725 VanDerWaalsContact O-N 3.16Å; F723-I734 HydrophobicContact CB-CD1 3.76Å; F723-I734 HydrophobicContact CD1-CD1 4.5Å; F723-I734 HydrophobicContact CG-CD1 4.16Å; F723-M779 HydrophobicContact CD2-CE 4.13Å; F723-M779 HydrophobicContact CD2-SD 4.11Å; F723-M779 HydrophobicContact CE2-CE 4.32Å; F723-I787 HydrophobicContact CD2-CD1 3.72Å; F723-I787 HydrophobicContact CE2-CD1 4.14Å; F723-I787 HydrophobicContact CG-CD1 4.39Å | ||
| 724 | K | 66.9 | Low | 88.1 | Confident | 168 Ų | 168 | 52.5 Ų | 52.5 | 73% | 0.73 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 50.2 | 39.4 | 173.7 | -64 | -176.5 | 177.8 | 171.8 | 0 | 114.2 | N726 | K724-N726 PolarHBondContact O-N 2.96Š|
| 725 | S | 63.1 | Low | 88.1 | Confident | 17 Ų | 17 | 52.3 Ų | 52.3 | 12% | 0.119 | 26% | 0.263 | C | S | . | . | trans | -76.6 | -19 | -169.2 | 44.6 | 0 | 0 | 0 | 0 | 115.9 | D722 F723 G727 H728 | D722-S725 WeakPolarHBondContact OD1-CB 3.27Å; D722-S725 PolarHBondContact OD1-OG 3.33Å; D722-S725 PolarHBondContact OD2-OG 3.34Å; F723-S725 PolarHBondContact O-N 3.29Å; F723-S725 VanDerWaalsContact O-N 3.16Å; S725-G727 PolarHBondContact O-N 3.29Å; S725-H728 WeakPolarHBondContact CB-O 3.47Å; S725-H728 WeakPolarHBondContact O-CB 3.32Å; S725-H728 PolarHBondContact O-N 2.99Å | ||
| 726 | N | 66.8 | Low | 88.2 | Confident | 169 Ų | 169 | 52.3 Ų | 52.3 | 90% | 0.904 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 45 | 32.5 | -166.9 | -73.1 | -10.4 | 0 | 0 | 0 | 112.5 | K724 | K724-N726 PolarHBondContact O-N 2.96Š|
| 727 | G | 70.5 | Confident | 88.3 | Confident | 70 Ų | 70 | 48.1 Ų | 48.1 | 72% | 0.722 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | -8.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | S725 | S725-G727 PolarHBondContact O-N 3.29Š|
| 728 | H | 78.3 | Confident | 88.4 | Confident | 130 Ų | 130 | 41.4 Ų | 41.4 | 60% | 0.602 | 22% | 0.218 | S | C | * | . | trans | -95.7 | 109.1 | 175.6 | -80.9 | -72.9 | 0 | 0 | 0 | 113.2 | S725 Y730 | S725-H728 WeakPolarHBondContact CB-O 3.47Å; S725-H728 WeakPolarHBondContact O-CB 3.32Å; S725-H728 PolarHBondContact O-N 2.99Å; H728-Y730 WeakPolarHBondContact O-CD2 3.5Å; H728-Y730 PolarHBondContact O-N 3.25Å | ||
| 729 | I | 85.6 | Confident | 88.4 | Confident | 51 Ų | 51 | 45.5 Ų | 45.5 | 26% | 0.262 | 24% | 0.239 | S | C | . | . | trans | -78.6 | 115 | 175.4 | -60.8 | 171.6 | 0 | 0 | 0 | 109.7 | V720 K752 V754 M774 V776 | V720-I729 HydrophobicContact CG2-CG2 4.36Å; I729-K752 HydrophobicContact CD1-CD 4.32Å; I729-V754 HydrophobicContact CD1-CG2 3.68Å; I729-M774 HydrophobicContact CG2-CE 3.84Å; I729-V776 HydrophobicContact CD1-CG1 4.42Å; I729-V776 HydrophobicContact CD1-CG2 4.35Å; I729-V776 HydrophobicContact CG2-CG1 4.17Å; I729-V776 HydrophobicContact CG2-CG2 3.74Å | ||
| 730 | Y | 91.9 | Very high | 88.4 | Confident | 82 Ų | 82 | 49.4 Ų | 49.4 | 32% | 0.322 | 26% | 0.26 | S | S | . | . | trans | -88.2 | 146.6 | 174.8 | -60.2 | -74.5 | 0 | 0 | 0 | 111.9 | H728 R733 | H728-Y730 WeakPolarHBondContact O-CD2 3.5Å; H728-Y730 PolarHBondContact O-N 3.25Å; Y730-R733 HydrophobicContact CD2-CG 4.09Å; Y730-R733 HydrophobicContact CG-CG 3.91Å | ||
| 731 | D | 94.3 | Very high | 88.3 | Confident | 29 Ų | 29 | 49.7 Ų | 49.7 | 16% | 0.155 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -99.5 | 4.6 | -175.2 | 82 | -48 | 0 | 0 | 0 | 114.4 | K718 M774 R994 | K718-D731 WeakPolarHBondContact CE-O 3.46Å; K718-D731 PolarHBondContact NZ-O 2.67Å; K718-D731 IonicContact NZ-OD2 3.5Å; K718-D731 PolarHBondContact NZ-OD2 2.92Å; D731-M774 HydrophobicContact CB-CE 3.99Å; D731-M774 HydrophobicContact CB-SD 3.53Å; D731-M774 VanDerWaalsContact CB-SD 3.53Å; D731-R994 IonicContact OD1-CZ 3.64Å; D731-R994 IonicContact OD1-NE 3.59Å; D731-R994 PolarHBondContact OD1-NE 3.22Å; D731-R994 VanDerWaalsContact OD1-NE 3.13Å; D731-R994 IonicContact OD1-NH2 3.24Å; D731-R994 PolarHBondContact OD1-NH2 3.46Å; D731-R994 IonicContact OD2-CZ 2.93Å; D731-R994 IonicContact OD2-NE 2.66Å; D731-R994 PolarHBondContact OD2-NE 2.96Å; D731-R994 IonicContact OD2-NH2 3.4Å; D731-R994 PolarHBondContact OD2-NH2 3.19Å |
| 732 | N | 96.6 | Very high | 88.3 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -157.1 | 22 | -162.5 | 57.4 | -13 | 0 | 0 | 0 | 114.6 | Q916 L917 A918 D919 | N732-Q916 WeakPolarHBondContact CB-O 3.32Å; N732-L917 WeakPolarHBondContact O-CA 3.22Å; N732-L917 WeakPolarHBondContact O-CD2 3.49Å; N732-A918 PolarHBondContact ND2-O 2.93Å; N732-D919 PolarHBondContact ND2-OD1 3.4Å |
| 733 | R | 95.6 | Very high | 88.6 | Confident | 21 Ų | 21 | 55.8 Ų | 55.8 | 8% | 0.079 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -96.3 | -55.2 | 177.6 | -74.3 | 17.9 | 179.8 | -168.4 | 1.1 | 111.3 | Y730 T831 R832 E839 A841 D919 | Y730-R733 HydrophobicContact CD2-CG 4.09Å; Y730-R733 HydrophobicContact CG-CG 3.91Å; R733-T831 CarbonylContact O-C 3.29Å; R733-T831 VanDerWaalsContact O-CA 3.24Å; R733-T831 WeakPolarHBondContact O-CA 3.29Å; R733-R832 PolarHBondContact O-N 3.35Å; R733-E839 PolarHBondContact NE-O 3.4Å; R733-E839 VanDerWaalsContact NE-O 3.12Å; R733-A841 PolarHBondContact NH2-O 3Å; R733-D919 IonicContact CZ-OD1 3.21Å; R733-D919 IonicContact NH1-OD1 2.81Å; R733-D919 PolarHBondContact NH1-OD1 2.64Å; R733-D919 IonicContact NH1-OD2 2.65Å |
| 734 | I | 97.2 | Very high | 89.4 | Confident | 10 Ų | 10 | 53.1 Ų | 53.1 | 5% | 0.051 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 108.1 | 173.2 | -58 | 172.7 | 0 | 0 | 0 | 107 | V720 I721 F723 I787 V829 T831 | V720-I734 WeakPolarHBondContact CA-O 3.43Å; V720-I734 WeakPolarHBondContact CB-O 3.49Å; I721-I734 HydrophobicContact CB-CB 4.07Å; I721-I734 HydrophobicContact CB-CD1 4.38Å; I721-I734 HydrophobicContact CB-CG2 3.8Å; I721-I734 HydrophobicContact CD1-CG2 3.83Å; I721-I734 HydrophobicContact CG1-CG2 4.08Å; I721-I734 HydrophobicContact CG2-CD1 4.35Å; I721-I734 PolarHBondContact N-O 3.24Å; F723-I734 HydrophobicContact CB-CD1 3.76Å; F723-I734 HydrophobicContact CD1-CD1 4.5Å; F723-I734 HydrophobicContact CG-CD1 4.16Å; I734-I787 HydrophobicContact CD1-CD1 4.01Å; I734-I787 HydrophobicContact CD1-CG1 3.96Å; I734-V829 HydrophobicContact CG2-CG1 4.3Å; I734-T831 HydrophobicContact CB-CG2 4.36Å; I734-T831 HydrophobicContact CG1-CG2 4.12Å; I734-T831 HydrophobicContact CG2-CG2 3.99Å |
| 735 | V | 98.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 136.8 | -170.6 | -173.2 | 0 | 0 | 0 | 0 | 110.1 | K718 A719 V720 V829 T830 L917 | K718-V735 HydrophobicContact CB-CG1 3.87Å; K718-V735 HydrophobicContact CD-CG1 4.2Å; A719-V735 WeakPolarHBondContact O-CA 3.45Å; V720-V735 HydrophobicContact CG1-CG2 4.48Å; V735-V829 WeakPolarHBondContact O-CA 3.48Å; V735-T830 PolarHBondContact N-O 3.35Å; V735-T830 PolarHBondContact O-N 3.06Å; V735-L917 HydrophobicContact CG2-CD2 4.16Å |
| 736 | L | 98.5 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.8 | 174.6 | -65 | 87.1 | 0 | 0 | 0 | 109.6 | K718 A719 I721 L741 F744 I777 I827 I828 V829 | K718-L736 WeakPolarHBondContact CA-O 3.34Å; A719-L736 HydrophobicContact CB-CB 4.41Å; A719-L736 PolarHBondContact N-O 3.41Å; A719-L736 PolarHBondContact O-N 2.93Å; I721-L736 HydrophobicContact CD1-CD1 4.03Å; I721-L736 HydrophobicContact CG1-CD1 3.84Å; L736-L741 HydrophobicContact CB-CD1 3.93Å; L736-L741 WeakPolarHBondContact O-CD2 3.26Å; L736-F744 HydrophobicContact CD2-CE1 3.93Å; L736-I777 HydrophobicContact CD1-CD1 4.34Å; L736-I777 HydrophobicContact CD2-CD1 4.12Å; L736-I827 HydrophobicContact CB-CG2 4.23Å; L736-I827 HydrophobicContact CD2-CG2 4.16Å; L736-I828 WeakPolarHBondContact CA-O 3.2Å; L736-V829 HydrophobicContact CD2-CG2 4.27Å; L736-V829 HydrophobicContact CG-CG2 4.2Å |
| 737 | N | 98.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 148.1 | 175.1 | -59.3 | 102 | 0 | 0 | 0 | 109.8 | L715 K717 I827 I828 Q916 | L715-N737 HydrophobicContact CD2-CB 3.76Å; K717-N737 PolarHBondContact O-ND2 2.98Å; N737-I827 CarbonylContact O-C 3.59Å; N737-I827 WeakPolarHBondContact O-CA 3.43Å; N737-I828 PolarHBondContact N-O 3.36Å; N737-I828 PolarHBondContact O-N 2.9Å; N737-Q916 PolarHBondContact ND2-OE1 3.49Å; N737-Q916 PolarHBondContact OD1-NE2 3.38Å; N737-Q916 PolarHBondContact OD1-OE1 2.91Å |
| 738 | G | 97.2 | Very high | 94.9 | Very high | 7 Ų | 7 | 41.7 Ų | 41.7 | 7% | 0.072 | 22% | 0.215 | C | C | . | . | trans | 170.9 | 153.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | D740 L741 | G738-D740 VanDerWaalsContact C-N 3.32Å; G738-L741 WeakPolarHBondContact O-CB 3.35Å; G738-L741 PolarHBondContact O-N 3.29Å | ||
| 739 | I | 96.9 | Very high | 95.5 | Very high | 93 Ų | 93 | 39 Ų | 39 | 48% | 0.477 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -44 | 175.1 | -61.4 | -58.8 | 0 | 0 | 0 | 110.3 | P713 H714 L741 V823 | P713-I739 HydrophobicContact CB-CD1 4.42Å; P713-I739 HydrophobicContact CG-CD1 4.2Å; H714-I739 HydrophobicContact CB-CD1 4.06Å; H714-I739 HydrophobicContact CB-CG1 4.34Å; I739-L741 VanDerWaalsContact C-N 3.25Å; I739-L741 PolarHBondContact O-N 3.07Å; I739-V823 HydrophobicContact CD1-CG1 3.9Å; I739-V823 HydrophobicContact CG1-CG1 3.83Å |
| 740 | D | 95.9 | Very high | 95.7 | Very high | 83 Ų | 83 | 43 Ų | 43 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 13.5 | 179.8 | -56.7 | -49.5 | 0 | 0 | 0 | 113.7 | G738 K742 A743 F744 F802 | G738-D740 VanDerWaalsContact C-N 3.32Å; D740-K742 PolarHBondContact O-N 3.32Å; D740-A743 PolarHBondContact O-N 3.45Å; D740-A743 VanDerWaalsContact O-N 3.1Å; D740-F744 PolarHBondContact O-N 3.33Å; D740-F802 HydrophobicContact CB-CD1 4.45Å; D740-F802 HydrophobicContact CB-CE1 4.33Å |
| 741 | L | 95.8 | Very high | 95.7 | Very high | 6 Ų | 6 | 40.9 Ų | 40.9 | 3% | 0.031 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.9 | -38.7 | -176.2 | -179.4 | 64.8 | 0 | 0 | 0 | 112 | A719 L736 G738 I739 F744 L745 I827 | A719-L741 HydrophobicContact CB-CD1 4.2Å; A719-L741 HydrophobicContact CB-CD2 4.07Å; A719-L741 HydrophobicContact CB-CG 4.46Å; L736-L741 HydrophobicContact CB-CD1 3.93Å; L736-L741 WeakPolarHBondContact O-CD2 3.26Å; G738-L741 WeakPolarHBondContact O-CB 3.35Å; G738-L741 PolarHBondContact O-N 3.29Å; I739-L741 VanDerWaalsContact C-N 3.25Å; I739-L741 PolarHBondContact O-N 3.07Å; L741-F744 HydrophobicContact CD1-CD1 4.27Å; L741-F744 PolarHBondContact O-N 2.96Å; L741-L745 HydrophobicContact CD1-CD1 4.35Å; L741-L745 HydrophobicContact CD1-CG 4.31Å; L741-L745 HydrophobicContact CG-CD1 3.97Å; L741-L745 HydrophobicContact CG-CG 4.38Å; L741-L745 WeakPolarHBondContact O-CB 3.3Å; L741-L745 WeakPolarHBondContact O-CD1 3.28Å; L741-L745 WeakPolarHBondContact O-CG 3.21Å; L741-L745 PolarHBondContact O-N 3.49Å; L741-I827 HydrophobicContact CD1-CG2 4.11Å |
| 742 | K | 94.9 | Very high | 95.6 | Very high | 130 Ų | 130 | 45.7 Ų | 45.7 | 57% | 0.565 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -63 | -48.2 | 177.5 | -173.9 | -173.9 | 177.8 | -62.8 | 0 | 111.5 | D740 F744 L745 D746 | D740-K742 PolarHBondContact O-N 3.32Å; K742-F744 VanDerWaalsContact C-N 3.28Å; K742-F744 PolarHBondContact O-N 3.29Å; K742-L745 PolarHBondContact O-N 2.89Å; K742-D746 IonicContact NZ-OD1 3.72Å; K742-D746 IonicContact NZ-OD2 2.64Å; K742-D746 PolarHBondContact NZ-OD2 3.06Å; K742-D746 PolarHBondContact O-N 3.23Å |
| 743 | A | 96.5 | Very high | 95.4 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 39% | 0.388 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.2 | -37.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | D740 S747 F802 | D740-A743 PolarHBondContact O-N 3.45Å; D740-A743 VanDerWaalsContact O-N 3.1Å; A743-S747 PolarHBondContact O-N 3.39Å; A743-F802 HydrophobicContact CB-CE1 3.87Å; A743-F802 HydrophobicContact CB-CZ 3.89Å |
| 744 | F | 97.3 | Very high | 95 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 0% | 0.004 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 172.2 | 170.2 | -113.9 | 0 | 0 | 0 | 111.9 | L736 D740 L741 K742 D746 S747 L748 I777 I782 I799 F802 I804 I827 | L736-F744 HydrophobicContact CD2-CE1 3.93Å; D740-F744 PolarHBondContact O-N 3.33Å; L741-F744 HydrophobicContact CD1-CD1 4.27Å; L741-F744 PolarHBondContact O-N 2.96Å; K742-F744 VanDerWaalsContact C-N 3.28Å; K742-F744 PolarHBondContact O-N 3.29Å; F744-D746 VanDerWaalsContact C-N 3.32Å; F744-D746 PolarHBondContact O-N 3.32Å; F744-S747 WeakPolarHBondContact O-CA 3.32Å; F744-S747 WeakPolarHBondContact O-CB 3.38Å; F744-S747 PolarHBondContact O-N 3.02Å; F744-S747 PolarHBondContact O-OG 2.9Å; F744-L748 HydrophobicContact CD1-CD1 4.38Å; F744-L748 HydrophobicContact CD2-CD2 4.49Å; F744-L748 HydrophobicContact CE1-CD1 3.83Å; F744-L748 HydrophobicContact CE2-CD1 4.39Å; F744-L748 HydrophobicContact CE2-CD2 3.91Å; F744-L748 HydrophobicContact CE2-CG 4.42Å; F744-L748 HydrophobicContact CZ-CD1 3.84Å; F744-L748 HydrophobicContact CZ-CD2 4.07Å; F744-L748 HydrophobicContact CZ-CG 4.36Å; F744-L748 WeakPolarHBondContact O-CG 3.34Å; F744-I777 HydrophobicContact CE1-CD1 4.09Å; F744-I782 HydrophobicContact CZ-CG2 4.46Å; F744-I799 HydrophobicContact CE2-CB 4.07Å; F744-I799 HydrophobicContact CE2-CG2 3.97Å; F744-F802 HydrophobicContact CB-CD1 3.96Å; F744-F802 HydrophobicContact CB-CD2 4.21Å; F744-F802 HydrophobicContact CB-CE1 4.18Å; F744-F802 HydrophobicContact CB-CE2 4.42Å; F744-F802 HydrophobicContact CB-CG 3.98Å; F744-F802 HydrophobicContact CB-CZ 4.41Å; F744-F802 HydrophobicContact CD2-CB 3.93Å; F744-F802 AromaticContact CD2-CD2 3.83Å; F744-F802 HydrophobicContact CD2-CD2 3.83Å; F744-F802 AromaticContact CD2-CG 3.92Å; F744-F802 HydrophobicContact CD2-CG 3.92Å; F744-F802 HydrophobicContact CG-CG 4.4Å; F744-I804 HydrophobicContact CD2-CD1 4.11Å; F744-I804 HydrophobicContact CE1-CD1 4.32Å; F744-I804 HydrophobicContact CE2-CD1 3.86Å; F744-I804 HydrophobicContact CG-CD1 4.45Å; F744-I804 HydrophobicContact CZ-CD1 3.96Å; F744-I827 HydrophobicContact CB-CD1 3.19Å; F744-I827 HydrophobicContact CD1-CD1 3.74Å; F744-I827 HydrophobicContact CD2-CD1 4.23Å; F744-I827 HydrophobicContact CG-CD1 3.46Å; F744-I827 VanDerWaalsContact CG-CD1 3.46Å |
| 745 | L | 95.8 | Very high | 94.4 | Very high | 15 Ų | 15 | 57.9 Ų | 57.9 | 8% | 0.079 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.7 | -39.4 | 179.1 | -68.4 | 165.6 | 0 | 0 | 0 | 112.5 | A719 L741 K742 S747 L748 V751 P775 I777 | A719-L745 HydrophobicContact CB-CD1 4.04Å; A719-L745 HydrophobicContact CB-CD2 3.94Å; A719-L745 HydrophobicContact CB-CG 4.5Å; L741-L745 HydrophobicContact CD1-CD1 4.35Å; L741-L745 HydrophobicContact CD1-CG 4.31Å; L741-L745 HydrophobicContact CG-CD1 3.97Å; L741-L745 HydrophobicContact CG-CG 4.38Å; L741-L745 WeakPolarHBondContact O-CB 3.3Å; L741-L745 WeakPolarHBondContact O-CD1 3.28Å; L741-L745 WeakPolarHBondContact O-CG 3.21Å; L741-L745 PolarHBondContact O-N 3.49Å; K742-L745 PolarHBondContact O-N 2.89Å; L745-S747 PolarHBondContact O-N 3.21Å; L745-L748 HydrophobicContact CD2-CD1 4.39Å; L745-L748 WeakPolarHBondContact O-CB 3.19Å; L745-L748 PolarHBondContact O-N 3.27Å; L745-V751 HydrophobicContact CD2-CG1 4.22Å; L745-V751 HydrophobicContact CD2-CG2 4.42Å; L745-P775 HydrophobicContact CD1-CB 3.56Å; L745-P775 HydrophobicContact CD1-CG 3.59Å; L745-P775 HydrophobicContact CD2-CB 4.11Å; L745-P775 HydrophobicContact CG-CB 4.43Å; L745-I777 HydrophobicContact CD2-CD1 3.98Å; L745-I777 HydrophobicContact CD2-CG1 3.85Å |
| 746 | D | 95.5 | Very high | 93.4 | Very high | 111 Ų | 111 | 59.4 Ų | 59.4 | 59% | 0.594 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -65.3 | -20.2 | 176.5 | -65.4 | -21.1 | 0 | 0 | 0 | 112.2 | K742 F744 L748 | K742-D746 IonicContact NZ-OD1 3.72Å; K742-D746 IonicContact NZ-OD2 2.64Å; K742-D746 PolarHBondContact NZ-OD2 3.06Å; K742-D746 PolarHBondContact O-N 3.23Å; F744-D746 VanDerWaalsContact C-N 3.32Å; F744-D746 PolarHBondContact O-N 3.32Å; D746-L748 VanDerWaalsContact C-N 3.35Å |
| 747 | S | 95.8 | Very high | 92.1 | Very high | 44 Ų | 44 | 65 Ų | 65 | 31% | 0.308 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -9.4 | 174.2 | 85 | 0 | 0 | 0 | 0 | 113.8 | A743 F744 L745 N800 | A743-S747 PolarHBondContact O-N 3.39Å; F744-S747 WeakPolarHBondContact O-CA 3.32Å; F744-S747 WeakPolarHBondContact O-CB 3.38Å; F744-S747 PolarHBondContact O-N 3.02Å; F744-S747 PolarHBondContact O-OG 2.9Å; L745-S747 PolarHBondContact O-N 3.21Å; S747-N800 PolarHBondContact O-ND2 3.28Å; S747-N800 VanDerWaalsContact O-ND2 3.13Å; S747-N800 PolarHBondContact OG-ND2 2.85Å; S747-N800 VanDerWaalsContact OG-ND2 3.12Å |
| 748 | L | 95.6 | Very high | 90.5 | Very high | 15 Ų | 15 | 67 Ų | 67 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | S | Bend | trans | -97.2 | 141 | -175.9 | -56.1 | -175.8 | 0 | 0 | 0 | 111.3 | F744 L745 D746 V751 I777 I782 | F744-L748 HydrophobicContact CD1-CD1 4.38Å; F744-L748 HydrophobicContact CD2-CD2 4.49Å; F744-L748 HydrophobicContact CE1-CD1 3.83Å; F744-L748 HydrophobicContact CE2-CD1 4.39Å; F744-L748 HydrophobicContact CE2-CD2 3.91Å; F744-L748 HydrophobicContact CE2-CG 4.42Å; F744-L748 HydrophobicContact CZ-CD1 3.84Å; F744-L748 HydrophobicContact CZ-CD2 4.07Å; F744-L748 HydrophobicContact CZ-CG 4.36Å; F744-L748 WeakPolarHBondContact O-CG 3.34Å; L745-L748 HydrophobicContact CD2-CD1 4.39Å; L745-L748 WeakPolarHBondContact O-CB 3.19Å; L745-L748 PolarHBondContact O-N 3.27Å; D746-L748 VanDerWaalsContact C-N 3.35Å; L748-V751 HydrophobicContact CB-CG2 3.67Å; L748-V751 HydrophobicContact CD1-CG2 4.31Å; L748-I777 HydrophobicContact CD1-CD1 3.72Å; L748-I777 HydrophobicContact CD1-CG1 3.91Å; L748-I777 HydrophobicContact CD1-CG2 4.22Å; L748-I782 HydrophobicContact CD1-CG2 4.48Å; L748-I782 HydrophobicContact CD2-CD1 3.46Å; L748-I782 VanDerWaalsContact CD2-CD1 3.46Å; L748-I782 HydrophobicContact CD2-CG2 3.91Å |
| 749 | P | 91.5 | Very high | 88.5 | Confident | 72 Ų | 72 | 68.3 Ų | 68.3 | 47% | 0.468 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | 151.4 | 168.1 | 30.9 | -33.8 | 0 | 0 | 0 | 111.1 | V751 | P749-V751 VanDerWaalsContact C-N 3.3Å; P749-V751 PolarHBondContact O-N 3.43Å; P749-V751 VanDerWaalsContact O-N 3.16Å |
| 750 | D | 90 | Very high | 86.3 | Confident | 137 Ų | 137 | 71 Ų | 71 | 73% | 0.733 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 25.8 | 164.5 | -52.1 | -46.8 | 0 | 0 | 0 | 117 | K752 P778 | D750-K752 PolarHBondContact O-N 3.22Å; D750-P778 HydrophobicContact CB-CG 4.12Å; D750-P778 WeakPolarHBondContact O-CD 3.47Å; D750-P778 WeakPolarHBondContact O-CG 3.27Å |
| 751 | V | 92.9 | Very high | 83.6 | Confident | 36 Ų | 36 | 70.1 Ų | 70.1 | 22% | 0.218 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 117.9 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 110.2 | L745 L748 P749 I753 P775 | L745-V751 HydrophobicContact CD2-CG1 4.22Å; L745-V751 HydrophobicContact CD2-CG2 4.42Å; L748-V751 HydrophobicContact CB-CG2 3.67Å; L748-V751 HydrophobicContact CD1-CG2 4.31Å; P749-V751 VanDerWaalsContact C-N 3.3Å; P749-V751 PolarHBondContact O-N 3.43Å; P749-V751 VanDerWaalsContact O-N 3.16Å; V751-I753 HydrophobicContact CG1-CD1 4.19Å; V751-P775 HydrophobicContact CG1-CB 3.89Å |
| 752 | K | 92 | Very high | 80.6 | Confident | 130 Ų | 130 | 73 Ų | 73 | 57% | 0.565 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 136.1 | 176.8 | -177 | 179.2 | 179.2 | 179.9 | 0 | 110.2 | I729 D750 P775 V776 | I729-K752 HydrophobicContact CD1-CD 4.32Å; D750-K752 PolarHBondContact O-N 3.22Å; K752-P775 CarbonylContact O-C 3.27Å; K752-V776 HydrophobicContact CB-CB 4.34Å; K752-V776 PolarHBondContact N-O 3.11Å; K752-V776 PolarHBondContact O-N 2.93Å |
| 753 | I | 90.9 | Very high | 77.5 | Confident | 94 Ų | 94 | 75 Ų | 75 | 48% | 0.482 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 117.1 | 176.8 | -54.4 | -57.4 | 0 | 0 | 0 | 109.9 | V751 N773 P775 | V751-I753 HydrophobicContact CG1-CD1 4.19Å; I753-N773 HydrophobicContact CG2-CB 3.54Å; I753-P775 HydrophobicContact CD1-CB 4.02Å; I753-P775 HydrophobicContact CD1-CG 4.13Å |
| 754 | V | 88.1 | Confident | 74.5 | Confident | 28 Ų | 28 | 79.7 Ų | 79.7 | 17% | 0.17 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 124.2 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | I729 N773 M774 V776 | I729-V754 HydrophobicContact CD1-CG2 3.68Å; V754-N773 CarbonylContact O-C 3.51Å; V754-N773 WeakPolarHBondContact O-CA 3.41Å; V754-M774 PolarHBondContact N-O 3.35Å; V754-M774 PolarHBondContact O-N 3.32Å; V754-V776 HydrophobicContact CB-CG2 4.35Å; V754-V776 HydrophobicContact CG2-CG2 3.61Å |
| 755 | K | 84.3 | Confident | 71.2 | Confident | 167 Ų | 167 | 84.3 Ų | 84.3 | 73% | 0.726 | 49% | 0.488 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71 | 129.7 | 172.1 | -71.3 | -173.6 | 178.9 | -178.2 | 0 | 110 | ||
| 756 | M | 78.1 | Confident | 68.1 | Low | 31 Ų | 31 | 91.4 Ų | 91.4 | 15% | 0.153 | 53% | 0.526 | C | S | . | . | P | Polyproline II helix | trans | -80.1 | 129.4 | 175.2 | -63.9 | -175.9 | 77.8 | 0 | 0 | 110 | C758 L772 M774 W998 | M756-C758 PolarHBondContact O-N 3.42Å; M756-L772 HydrophobicContact CB-CB 4.21Å; M756-L772 PolarHBondContact N-O 2.9Å; M756-L772 HydrophobicContact SD-CB 4.48Å; M756-L772 HydrophobicContact SD-CD2 4.07Å; M756-M774 HydrophobicContact CG-CB 4.25Å; M756-M774 HydrophobicContact SD-CB 4.47Å; M756-W998 HydrophobicContact CE-CB 4.13Å; M756-W998 HydrophobicContact CE-CG 3.86Å; M756-W998 VanDerWaalsContact SD-CD1 3.58Å; M756-W998 HydrophobicContact SD-CG 4.36Å |
| 757 | K | 70.6 | Confident | 65.2 | Low | 119 Ų | 119 | 90.3 Ų | 90.3 | 52% | 0.517 | 53% | 0.527 | S | S | . | . | trans | -78.5 | 109.7 | -179.6 | -147.9 | -179.2 | -169.9 | -174.9 | 0 | 108.4 | E988 | K757-E988 IonicContact NZ-OE2 2.75Å; K757-E988 PolarHBondContact NZ-OE2 3.18Å | ||
| 758 | C | 64.7 | Low | 62 | Low | 41 Ų | 41 | 93.7 Ų | 93.7 | 28% | 0.277 | 55% | 0.551 | S | S | . | * | trans | -108.9 | 141.1 | 173.3 | -66 | 0 | 0 | 0 | 0 | 109.4 | M756 D760 G995 K999 | M756-C758 PolarHBondContact O-N 3.42Å; C758-D760 PolarHBondContact O-N 3.16Å; C758-G995 PolarHBondContact SG-O 3.17Å; C758-K999 HydrophobicContact CB-CD 4.4Å | ||
| 759 | P | 56.4 | Low | 59.1 | Low | 34 Ų | 34 | 100.5 Ų | 100.5 | 22% | 0.221 | 59% | 0.587 | C | S | . | * | trans | -62.9 | 130.6 | 171.7 | -3.8 | 13 | 0 | 0 | 0 | 111.3 | G761 K992 K996 | P759-G761 PolarHBondContact O-N 3.01Å; P759-K992 HydrophobicContact CG-CD 4.27Å; P759-K992 VanDerWaalsContact CG-CE 3.43Å; P759-K992 HydrophobicContact CG-CG 3.78Å; P759-K996 HydrophobicContact CG-CB 4.04Å; P759-K996 HydrophobicContact CG-CD 4.02Å; P759-K996 HydrophobicContact CG-CG 4.14Å | ||
| 760 | D | 49.1 | Very low | 57 | Low | 150 Ų | 150 | 101.7 Ų | 101.7 | 80% | 0.802 | 59% | 0.593 | S | S | * | * | trans | 20.9 | 91 | 154.8 | -49.6 | -34.8 | 0 | 0 | 0 | 116.7 | C758 | C758-D760 PolarHBondContact O-N 3.16Š| ||
| 761 | G | 40.2 | Very low | 55.2 | Low | 65 Ų | 65 | 98.3 Ų | 98.3 | 67% | 0.67 | 59% | 0.585 | S | S | * | * | trans | -85.8 | 124.3 | 131.7 | 0 | 0 | 0 | 0 | 0 | 105.7 | P759 | P759-G761 PolarHBondContact O-N 3.01Š| ||
| 762 | G | 33.3 | Very low | 54.3 | Low | 66 Ų | 66 | 98.9 Ų | 98.9 | 68% | 0.68 | 59% | 0.586 | S | S | * | * | trans | -51.6 | 159.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | N764 | G762-N764 PolarHBondContact O-N 3.32Š| ||
| 763 | D | 29.6 | Very low | 54 | Low | 171 Ų | 171 | 97 Ų | 97 | 91% | 0.914 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -59.8 | 52.2 | -179.8 | -69 | -46.6 | 0 | 0 | 0 | 114.5 | A765 | D763-A765 PolarHBondContact O-N 3.24Š|
| 764 | N | 33.2 | Very low | 54.1 | Low | 147 Ų | 147 | 93 Ų | 93 | 79% | 0.786 | 56% | 0.562 | S | S | * | * | trans | -86.4 | 97.4 | 159.1 | -81.4 | -7.6 | 0 | 0 | 0 | 107.3 | G762 D766 | G762-N764 PolarHBondContact O-N 3.32Å; N764-D766 PolarHBondContact O-N 2.95Å | ||
| 765 | A | 28.6 | Very low | 54.4 | Low | 98 Ų | 98 | 92.5 Ų | 92.5 | 81% | 0.81 | 56% | 0.559 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 19.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D763 | D763-A765 PolarHBondContact O-N 3.24Š|
| 766 | D | 30.1 | Very low | 54.9 | Low | 164 Ų | 164 | 84.7 Ų | 84.7 | 88% | 0.877 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | 15 | -172.7 | -91 | -13.1 | 0 | 0 | 0 | 115.6 | N764 | N764-D766 PolarHBondContact O-N 2.95Š|
| 767 | S | 34.1 | Very low | 55.7 | Low | 87 Ų | 87 | 83.3 Ų | 83.3 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | trans | -110.8 | 67.6 | 169.1 | 62.9 | 0 | 0 | 0 | 0 | 112.3 | N769 | S767-N769 PolarHBondContact O-N 3.46Š| ||
| 768 | S | 28.2 | Very low | 56.8 | Low | 115 Ų | 115 | 79.4 Ų | 79.4 | 80% | 0.804 | 51% | 0.505 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 23 | -177.1 | 64.2 | 0 | 0 | 0 | 0 | 115.8 | ||
| 769 | N | 35.6 | Very low | 58.1 | Low | 159 Ų | 159 | 81.5 Ų | 81.5 | 85% | 0.85 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.3 | 8.7 | -174.1 | -109.2 | -11.3 | 0 | 0 | 0 | 118.5 | S767 | S767-N769 PolarHBondContact O-N 3.46Š|
| 770 | T | 46.6 | Very low | 59.7 | Low | 96 Ų | 96 | 81.6 Ų | 81.6 | 59% | 0.589 | 51% | 0.51 | S | S | * | . | trans | -126.5 | 33.9 | -171.8 | 34.3 | 0 | 0 | 0 | 0 | 115.5 | L772 | T770-L772 PolarHBondContact O-N 3.27Š| ||
| 771 | A | 53.1 | Low | 61.8 | Low | 67 Ų | 67 | 79.7 Ų | 79.7 | 55% | 0.554 | 50% | 0.504 | S | S | * | . | trans | -69.6 | 101.9 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | N773 | A771-N773 PolarHBondContact O-N 3.21Š| ||
| 772 | L | 73.7 | Confident | 64.3 | Low | 48 Ų | 48 | 78.1 Ų | 78.1 | 25% | 0.251 | 48% | 0.48 | S | S | . | . | trans | -61.6 | 128.9 | 174.6 | -104 | 103.4 | 0 | 0 | 0 | 110.5 | M756 T770 W998 K999 | M756-L772 HydrophobicContact CB-CB 4.21Å; M756-L772 PolarHBondContact N-O 2.9Å; M756-L772 HydrophobicContact SD-CB 4.48Å; M756-L772 HydrophobicContact SD-CD2 4.07Å; T770-L772 PolarHBondContact O-N 3.27Å; L772-W998 HydrophobicContact CD2-CG 4.35Å; L772-K999 HydrophobicContact CD1-CB 4Å; L772-K999 HydrophobicContact CD1-CD 4.32Å; L772-K999 HydrophobicContact CD1-CG 3.86Å | ||
| 773 | N | 86.3 | Confident | 67.2 | Low | 91 Ų | 91 | 75 Ų | 75 | 49% | 0.487 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 147 | -175.4 | 54.8 | 21.9 | 0 | 0 | 0 | 111.4 | I753 V754 A771 | I753-N773 HydrophobicContact CG2-CB 3.54Å; V754-N773 CarbonylContact O-C 3.51Å; V754-N773 WeakPolarHBondContact O-CA 3.41Å; A771-N773 PolarHBondContact O-N 3.21Å |
| 774 | M | 91.8 | Very high | 70.3 | Confident | 9 Ų | 9 | 71.7 Ų | 71.7 | 4% | 0.044 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 109.8 | 176.3 | -174.3 | 179.2 | 73.2 | 0 | 0 | 108.2 | V720 I729 D731 V754 M756 V776 | V720-M774 HydrophobicContact CG1-SD 3.95Å; V720-M774 HydrophobicContact CG2-CE 3.71Å; V720-M774 HydrophobicContact CG2-CG 4.37Å; V720-M774 HydrophobicContact CG2-SD 4.07Å; I729-M774 HydrophobicContact CG2-CE 3.84Å; D731-M774 HydrophobicContact CB-CE 3.99Å; D731-M774 HydrophobicContact CB-SD 3.53Å; D731-M774 VanDerWaalsContact CB-SD 3.53Å; V754-M774 PolarHBondContact N-O 3.35Å; V754-M774 PolarHBondContact O-N 3.32Å; M756-M774 HydrophobicContact CG-CB 4.25Å; M756-M774 HydrophobicContact SD-CB 4.47Å; M774-V776 HydrophobicContact CE-CG2 4.25Å |
| 775 | P | 94.8 | Very high | 73.3 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 12% | 0.117 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 139.2 | 171.8 | -20.9 | 33.7 | 0 | 0 | 0 | 111.5 | K718 A719 V720 L745 V751 K752 I753 | K718-P775 WeakPolarHBondContact O-CD 3.44Å; A719-P775 WeakPolarHBondContact CA-O 3.36Å; A719-P775 HydrophobicContact CB-CB 4.03Å; V720-P775 PolarHBondContact N-O 3.43Å; L745-P775 HydrophobicContact CD1-CB 3.56Å; L745-P775 HydrophobicContact CD1-CG 3.59Å; L745-P775 HydrophobicContact CD2-CB 4.11Å; L745-P775 HydrophobicContact CG-CB 4.43Å; V751-P775 HydrophobicContact CG1-CB 3.89Å; K752-P775 CarbonylContact O-C 3.27Å; I753-P775 HydrophobicContact CD1-CB 4.02Å; I753-P775 HydrophobicContact CD1-CG 4.13Å |
| 776 | V | 95.2 | Very high | 76.6 | Confident | 2 Ų | 2 | 62.1 Ų | 62.1 | 1% | 0.012 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 116.3 | -178 | -175.7 | 0 | 0 | 0 | 0 | 108.4 | V720 D722 I729 K752 V754 M774 | V720-V776 HydrophobicContact CG2-CB 4.34Å; V720-V776 HydrophobicContact CG2-CG1 4.25Å; V720-V776 HydrophobicContact CG2-CG2 3.86Å; V720-V776 CarbonylContact O-C 3.58Å; V720-V776 WeakPolarHBondContact O-CA 3.32Å; D722-V776 HydrophobicContact CB-CG1 3.77Å; I729-V776 HydrophobicContact CD1-CG1 4.42Å; I729-V776 HydrophobicContact CD1-CG2 4.35Å; I729-V776 HydrophobicContact CG2-CG1 4.17Å; I729-V776 HydrophobicContact CG2-CG2 3.74Å; K752-V776 HydrophobicContact CB-CB 4.34Å; K752-V776 PolarHBondContact N-O 3.11Å; K752-V776 PolarHBondContact O-N 2.93Å; V754-V776 HydrophobicContact CB-CG2 4.35Å; V754-V776 HydrophobicContact CG2-CG2 3.61Å; M774-V776 HydrophobicContact CE-CG2 4.25Å |
| 777 | I | 95.2 | Very high | 79.8 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 117.7 | 174.2 | -56.5 | 172.8 | 0 | 0 | 0 | 106.8 | V720 I721 D722 L736 F744 L745 L748 A783 | V720-I777 PolarHBondContact O-N 2.9Å; I721-I777 HydrophobicContact CG1-CB 4.05Å; I721-I777 HydrophobicContact CG1-CD1 4.22Å; I721-I777 HydrophobicContact CG1-CG2 4.43Å; D722-I777 PolarHBondContact N-O 3.18Å; L736-I777 HydrophobicContact CD1-CD1 4.34Å; L736-I777 HydrophobicContact CD2-CD1 4.12Å; F744-I777 HydrophobicContact CE1-CD1 4.09Å; L745-I777 HydrophobicContact CD2-CD1 3.98Å; L745-I777 HydrophobicContact CD2-CG1 3.85Å; L748-I777 HydrophobicContact CD1-CD1 3.72Å; L748-I777 HydrophobicContact CD1-CG1 3.91Å; L748-I777 HydrophobicContact CD1-CG2 4.22Å; I777-A783 HydrophobicContact CG2-CB 4.36Å |
| 778 | P | 92.5 | Very high | 82.8 | Confident | 38 Ų | 38 | 54.9 Ų | 54.9 | 25% | 0.247 | 32% | 0.32 | C | S | . | . | trans | -67.8 | 161 | 177.8 | 30.7 | -35.6 | 0 | 0 | 0 | 110.7 | D750 N780 | D750-P778 HydrophobicContact CB-CG 4.12Å; D750-P778 WeakPolarHBondContact O-CD 3.47Å; D750-P778 WeakPolarHBondContact O-CG 3.27Å; P778-N780 PolarHBondContact O-N 3Å; P778-N780 PolarHBondContact O-OD1 2.96Å | ||
| 779 | M | 91.8 | Very high | 86.1 | Confident | 85 Ų | 85 | 49.4 Ų | 49.4 | 42% | 0.419 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -69.2 | 92.6 | 176.5 | -163.9 | 63.4 | -175.6 | 0 | 0 | 110.8 | F723 A783 E784 I787 | F723-M779 HydrophobicContact CD2-CE 4.13Å; F723-M779 HydrophobicContact CD2-SD 4.11Å; F723-M779 HydrophobicContact CE2-CE 4.32Å; M779-A783 HydrophobicContact SD-CB 3.97Å; M779-E784 HydrophobicContact CE-CG 3.48Å; M779-E784 VanDerWaalsContact CE-CG 3.48Å; M779-I787 HydrophobicContact CE-CD1 3.75Å; M779-I787 HydrophobicContact SD-CD1 3.87Å |
| 780 | N | 91.2 | Very high | 89 | Confident | 35 Ų | 35 | 42.6 Ų | 42.6 | 19% | 0.187 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -127.6 | -177.3 | 176.2 | 64.7 | 14.8 | 0 | 0 | 0 | 110 | P778 I782 A783 E784 | P778-N780 PolarHBondContact O-N 3Å; P778-N780 PolarHBondContact O-OD1 2.96Å; N780-I782 PolarHBondContact O-N 3.45Å; N780-I782 VanDerWaalsContact O-N 3.11Å; N780-I782 WeakPolarHBondContact OD1-CB 3.47Å; N780-I782 PolarHBondContact OD1-N 3.1Å; N780-I782 VanDerWaalsContact OD1-N 3.1Å; N780-A783 WeakPolarHBondContact O-CB 3.3Å; N780-A783 PolarHBondContact O-N 3.36Å; N780-A783 VanDerWaalsContact O-N 3.08Å; N780-A783 PolarHBondContact OD1-N 3.32Å; N780-E784 WeakPolarHBondContact O-CG 3.37Å; N780-E784 PolarHBondContact O-N 2.87Å |
| 781 | T | 92.7 | Very high | 91.4 | Very high | 110 Ų | 110 | 43 Ų | 43 | 68% | 0.675 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -58.5 | -28.4 | -178.8 | -41.6 | 0 | 0 | 0 | 0 | 113.3 | A785 | T781-A785 WeakPolarHBondContact O-CB 3.19Å; T781-A785 PolarHBondContact O-N 3.24Å |
| 782 | I | 92.8 | Very high | 93.5 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 16% | 0.164 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -72.7 | -45.9 | 176.8 | -69.9 | 174.5 | 0 | 0 | 0 | 110.5 | F744 L748 N780 E784 A785 V786 I799 | F744-I782 HydrophobicContact CZ-CG2 4.46Å; L748-I782 HydrophobicContact CD1-CG2 4.48Å; L748-I782 HydrophobicContact CD2-CD1 3.46Å; L748-I782 VanDerWaalsContact CD2-CD1 3.46Å; L748-I782 HydrophobicContact CD2-CG2 3.91Å; N780-I782 PolarHBondContact O-N 3.45Å; N780-I782 VanDerWaalsContact O-N 3.11Å; N780-I782 WeakPolarHBondContact OD1-CB 3.47Å; N780-I782 PolarHBondContact OD1-N 3.1Å; N780-I782 VanDerWaalsContact OD1-N 3.1Å; I782-E784 VanDerWaalsContact C-N 3.3Å; I782-E784 PolarHBondContact O-N 3.07Å; I782-A785 PolarHBondContact O-N 3.27Å; I782-V786 WeakPolarHBondContact O-CG2 3.31Å; I782-V786 PolarHBondContact O-N 3.31Å; I782-V786 VanDerWaalsContact O-N 3.12Å; I782-I799 HydrophobicContact CD1-CG2 4.17Å; I782-I799 HydrophobicContact CG1-CG2 4.14Å; I782-I799 HydrophobicContact CG2-CD1 3.91Å; I782-I799 HydrophobicContact CG2-CG2 3.98Å |
| 783 | A | 94.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | I721 I777 M779 N780 V786 I787 | I721-A783 HydrophobicContact CD1-CB 4.32Å; I721-A783 HydrophobicContact CG1-CB 4.45Å; I721-A783 HydrophobicContact CG2-CB 3.67Å; I777-A783 HydrophobicContact CG2-CB 4.36Å; M779-A783 HydrophobicContact SD-CB 3.97Å; N780-A783 WeakPolarHBondContact O-CB 3.3Å; N780-A783 PolarHBondContact O-N 3.36Å; N780-A783 VanDerWaalsContact O-N 3.08Å; N780-A783 PolarHBondContact OD1-N 3.32Å; A783-V786 PolarHBondContact O-N 2.99Å; A783-I787 WeakPolarHBondContact O-CG1 3.41Å; A783-I787 PolarHBondContact O-N 3.25Å |
| 784 | E | 95.3 | Very high | 95.1 | Very high | 102 Ų | 102 | 48 Ų | 48 | 48% | 0.477 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 175.5 | -72.4 | 170.6 | -177.8 | 0 | 0 | 112.3 | M779 N780 I782 V786 I787 E788 | M779-E784 HydrophobicContact CE-CG 3.48Å; M779-E784 VanDerWaalsContact CE-CG 3.48Å; N780-E784 WeakPolarHBondContact O-CG 3.37Å; N780-E784 PolarHBondContact O-N 2.87Å; I782-E784 VanDerWaalsContact C-N 3.3Å; I782-E784 PolarHBondContact O-N 3.07Å; E784-V786 VanDerWaalsContact C-N 3.32Å; E784-V786 PolarHBondContact O-N 3.48Å; E784-I787 PolarHBondContact O-N 2.92Å; E784-E788 WeakPolarHBondContact O-CB 3.21Å; E784-E788 PolarHBondContact O-N 3.46Å |
| 785 | A | 96.5 | Very high | 95.4 | Very high | 42 Ų | 42 | 51 Ų | 51 | 35% | 0.347 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T781 I782 E788 M789 I797 I799 | T781-A785 WeakPolarHBondContact O-CB 3.19Å; T781-A785 PolarHBondContact O-N 3.24Å; I782-A785 PolarHBondContact O-N 3.27Å; A785-E788 PolarHBondContact O-N 3.16Å; A785-M789 PolarHBondContact O-N 2.99Å; A785-I797 HydrophobicContact CB-CD1 4.34Å; A785-I799 HydrophobicContact CB-CD1 4.42Å |
| 786 | V | 97.1 | Very high | 95.6 | Very high | 2 Ų | 2 | 54.8 Ų | 54.8 | 1% | 0.012 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -46.3 | 174.6 | 171.6 | 0 | 0 | 0 | 0 | 111.1 | I721 I782 A783 E784 E788 M789 I790 I797 I799 I804 V829 | I721-V786 HydrophobicContact CD1-CB 3.87Å; I721-V786 HydrophobicContact CD1-CG1 3.66Å; I721-V786 HydrophobicContact CD1-CG2 4.39Å; I782-V786 WeakPolarHBondContact O-CG2 3.31Å; I782-V786 PolarHBondContact O-N 3.31Å; I782-V786 VanDerWaalsContact O-N 3.12Å; A783-V786 PolarHBondContact O-N 2.99Å; E784-V786 VanDerWaalsContact C-N 3.32Å; E784-V786 PolarHBondContact O-N 3.48Å; V786-E788 VanDerWaalsContact C-N 3.32Å; V786-E788 PolarHBondContact O-N 3.32Å; V786-M789 WeakPolarHBondContact O-CB 3.48Å; V786-M789 PolarHBondContact O-N 2.94Å; V786-I790 WeakPolarHBondContact O-CG1 3.4Å; V786-I790 PolarHBondContact O-N 3.47Å; V786-I797 HydrophobicContact CG2-CD1 4.34Å; V786-I799 HydrophobicContact CG2-CD1 3.77Å; V786-I804 HydrophobicContact CG2-CG2 4.35Å; V786-V829 HydrophobicContact CG1-CB 4.31Å; V786-V829 HydrophobicContact CG1-CG1 3.68Å; V786-V829 HydrophobicContact CG1-CG2 3.75Å |
| 787 | I | 96 | Very high | 95.7 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 178.9 | -70.3 | 163.6 | 0 | 0 | 0 | 110.9 | I721 F723 I734 M779 A783 E784 I790 N791 | I721-I787 HydrophobicContact CG2-CD1 4.25Å; F723-I787 HydrophobicContact CD2-CD1 3.72Å; F723-I787 HydrophobicContact CE2-CD1 4.14Å; F723-I787 HydrophobicContact CG-CD1 4.39Å; I734-I787 HydrophobicContact CD1-CD1 4.01Å; I734-I787 HydrophobicContact CD1-CG1 3.96Å; M779-I787 HydrophobicContact CE-CD1 3.75Å; M779-I787 HydrophobicContact SD-CD1 3.87Å; A783-I787 WeakPolarHBondContact O-CG1 3.41Å; A783-I787 PolarHBondContact O-N 3.25Å; E784-I787 PolarHBondContact O-N 2.92Å; I787-I790 WeakPolarHBondContact O-CB 3.21Å; I787-I790 PolarHBondContact O-N 3.04Å; I787-N791 WeakPolarHBondContact CG2-ND2 3.09Å; I787-N791 VanDerWaalsContact O-CG 3.25Å; I787-N791 PolarHBondContact O-N 3.49Å; I787-N791 PolarHBondContact O-ND2 3.48Å |
| 788 | E | 97.1 | Very high | 95.8 | Very high | 78 Ų | 78 | 61 Ų | 61 | 36% | 0.364 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 177.9 | -172 | 67.4 | 176.5 | 0 | 0 | 112.1 | E784 A785 V786 I790 N791 R792 | E784-E788 WeakPolarHBondContact O-CB 3.21Å; E784-E788 PolarHBondContact O-N 3.46Å; A785-E788 PolarHBondContact O-N 3.16Å; V786-E788 VanDerWaalsContact C-N 3.32Å; V786-E788 PolarHBondContact O-N 3.32Å; E788-I790 VanDerWaalsContact C-N 3.27Å; E788-I790 PolarHBondContact O-N 2.89Å; E788-N791 PolarHBondContact O-N 3.46Å; E788-R792 HydrophobicContact CG-CG 4.41Å; E788-R792 WeakPolarHBondContact O-CB 3.34Å; E788-R792 WeakPolarHBondContact O-CG 3.47Å; E788-R792 PolarHBondContact O-N 3.4Å; E788-R792 IonicContact OE1-CZ 3.13Å; E788-R792 IonicContact OE1-NE 3.42Å; E788-R792 PolarHBondContact OE1-NE 2.85Å; E788-R792 IonicContact OE1-NH2 2.6Å; E788-R792 PolarHBondContact OE1-NH2 3.48Å |
| 789 | M | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.6 | -45.6 | 172.1 | 177.2 | -166.6 | 70.1 | 0 | 0 | 110.9 | A785 V786 G793 Q794 I797 I804 N806 V829 | A785-M789 PolarHBondContact O-N 2.99Å; V786-M789 WeakPolarHBondContact O-CB 3.48Å; V786-M789 PolarHBondContact O-N 2.94Å; M789-G793 PolarHBondContact O-N 3.14Å; M789-Q794 HydrophobicContact CB-CB 4.42Å; M789-Q794 HydrophobicContact CG-CB 3.75Å; M789-Q794 PolarHBondContact O-N 3.18Å; M789-I797 HydrophobicContact CB-CD1 4.12Å; M789-I797 HydrophobicContact CB-CG2 3.91Å; M789-I797 HydrophobicContact CG-CG2 3.88Å; M789-I797 HydrophobicContact SD-CB 4.33Å; M789-I797 HydrophobicContact SD-CD1 4.28Å; M789-I797 HydrophobicContact SD-CG1 3.8Å; M789-I797 HydrophobicContact SD-CG2 4.05Å; M789-I804 HydrophobicContact CE-CG2 4.38Å; M789-N806 HydrophobicContact CE-CB 4.07Å; M789-N806 HydrophobicContact SD-CB 4.38Å; M789-V829 HydrophobicContact CE-CB 4.12Å; M789-V829 HydrophobicContact CE-CG2 4.06Å |
| 790 | I | 97.8 | Very high | 96.2 | Very high | 16 Ų | 16 | 60.3 Ų | 60.3 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.1 | -49.3 | 179.6 | -61.3 | -64.2 | 0 | 0 | 0 | 110.9 | V786 I787 E788 R792 G793 N806 V829 T831 Q834 | V786-I790 WeakPolarHBondContact O-CG1 3.4Å; V786-I790 PolarHBondContact O-N 3.47Å; I787-I790 WeakPolarHBondContact O-CB 3.21Å; I787-I790 PolarHBondContact O-N 3.04Å; E788-I790 VanDerWaalsContact C-N 3.27Å; E788-I790 PolarHBondContact O-N 2.89Å; I790-R792 VanDerWaalsContact C-N 3.28Å; I790-R792 PolarHBondContact O-N 3.42Å; I790-G793 PolarHBondContact O-N 3.44Å; I790-N806 HydrophobicContact CD1-CB 4.38Å; I790-V829 HydrophobicContact CD1-CB 4.16Å; I790-V829 HydrophobicContact CD1-CG1 3.91Å; I790-V829 HydrophobicContact CG1-CG1 4.06Å; I790-T831 HydrophobicContact CD1-CG2 4.28Å; I790-T831 HydrophobicContact CG1-CG2 3.98Å; I790-T831 HydrophobicContact CG2-CG2 4.09Å; I790-Q834 HydrophobicContact CG2-CG 3.88Å |
| 791 | N | 96.7 | Very high | 96.4 | Very high | 104 Ų | 104 | 61.8 Ų | 61.8 | 56% | 0.556 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.9 | -35.4 | -178 | -69 | -19.7 | 0 | 0 | 0 | 112.8 | I787 E788 G793 | I787-N791 WeakPolarHBondContact CG2-ND2 3.09Å; I787-N791 VanDerWaalsContact O-CG 3.25Å; I787-N791 PolarHBondContact O-N 3.49Å; I787-N791 PolarHBondContact O-ND2 3.48Å; E788-N791 PolarHBondContact O-N 3.46Å; N791-G793 VanDerWaalsContact C-N 3.31Å |
| 792 | R | 97.4 | Very high | 96.6 | Very high | 168 Ų | 168 | 59 Ų | 59 | 63% | 0.634 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | -6.4 | 177 | -68.9 | -172.9 | -178.4 | -110.3 | -8.5 | 114 | E788 I790 Q794 | E788-R792 HydrophobicContact CG-CG 4.41Å; E788-R792 WeakPolarHBondContact O-CB 3.34Å; E788-R792 WeakPolarHBondContact O-CG 3.47Å; E788-R792 PolarHBondContact O-N 3.4Å; E788-R792 IonicContact OE1-CZ 3.13Å; E788-R792 IonicContact OE1-NE 3.42Å; E788-R792 PolarHBondContact OE1-NE 2.85Å; E788-R792 IonicContact OE1-NH2 2.6Å; E788-R792 PolarHBondContact OE1-NH2 3.48Å; I790-R792 VanDerWaalsContact C-N 3.28Å; I790-R792 PolarHBondContact O-N 3.42Å; R792-Q794 HydrophobicContact CB-CG 3.96Å; R792-Q794 PolarHBondContact O-N 2.94Å |
| 793 | G | 95.8 | Very high | 96.9 | Very high | 55 Ų | 55 | 60 Ų | 60 | 57% | 0.567 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.3 | 27.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113 | M789 I790 N791 | M789-G793 PolarHBondContact O-N 3.14Å; I790-G793 PolarHBondContact O-N 3.44Å; N791-G793 VanDerWaalsContact C-N 3.31Å |
| 794 | Q | 97.7 | Very high | 97 | Very high | 88 Ų | 88 | 60 Ų | 60 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | trans | -67.3 | 144.6 | 175.5 | -76.7 | 178.9 | -31.5 | 0 | 0 | 110.3 | M789 R792 N806 | M789-Q794 HydrophobicContact CB-CB 4.42Å; M789-Q794 HydrophobicContact CG-CB 3.75Å; M789-Q794 PolarHBondContact O-N 3.18Å; R792-Q794 HydrophobicContact CB-CG 3.96Å; R792-Q794 PolarHBondContact O-N 2.94Å; Q794-N806 WeakPolarHBondContact O-CB 3.39Å; Q794-N806 PolarHBondContact O-ND2 3.27Å | ||
| 795 | I | 97.8 | Very high | 97.2 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -68.7 | -47.7 | -176.4 | -65.8 | 170.3 | 0 | 0 | 0 | 111.2 | N806 A809 I813 | I795-N806 VanDerWaalsContact O-CB 3.32Å; I795-N806 WeakPolarHBondContact O-CB 3.5Å; I795-N806 PolarHBondContact O-N 2.9Å; I795-A809 HydrophobicContact CB-CB 4.24Å; I795-A809 HydrophobicContact CG1-CB 4.23Å; I795-A809 HydrophobicContact CG2-CB 3.93Å; I795-I813 HydrophobicContact CG2-CD1 3.83Å; I795-I813 HydrophobicContact CG2-CG1 3.6Å |
| 796 | Q | 97.5 | Very high | 97.3 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 46% | 0.458 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | 158.7 | -178.1 | 63.8 | -178.3 | 9.6 | 0 | 0 | 111.6 | I804 | Q796-I804 CarbonylContact C-O 3.42Å; Q796-I804 WeakPolarHBondContact CA-O 3.5Å; Q796-I804 WeakPolarHBondContact CB-O 3.17Å |
| 797 | I | 98.1 | Very high | 97.3 | Very high | 33 Ų | 33 | 53.3 Ų | 53.3 | 17% | 0.169 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 171.5 | 170.2 | 63.7 | 178.4 | 0 | 0 | 0 | 110.1 | A785 V786 M789 I799 I804 | A785-I797 HydrophobicContact CB-CD1 4.34Å; V786-I797 HydrophobicContact CG2-CD1 4.34Å; M789-I797 HydrophobicContact CB-CD1 4.12Å; M789-I797 HydrophobicContact CB-CG2 3.91Å; M789-I797 HydrophobicContact CG-CG2 3.88Å; M789-I797 HydrophobicContact SD-CB 4.33Å; M789-I797 HydrophobicContact SD-CD1 4.28Å; M789-I797 HydrophobicContact SD-CG1 3.8Å; M789-I797 HydrophobicContact SD-CG2 4.05Å; I797-I799 HydrophobicContact CD1-CD1 3.8Å; I797-I799 HydrophobicContact CD1-CG1 4.08Å; I797-I799 HydrophobicContact CG1-CD1 4.49Å; I797-I799 HydrophobicContact CG1-CG1 4.33Å; I797-I804 HydrophobicContact CG1-CB 3.91Å; I797-I804 HydrophobicContact CG1-CG2 4.48Å; I797-I804 PolarHBondContact N-O 2.65Å; I797-I804 PolarHBondContact O-N 3.31Å |
| 798 | T | 98 | Very high | 97.4 | Very high | 101 Ų | 101 | 55.7 Ų | 55.7 | 62% | 0.62 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 130.3 | 173.8 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | F802 | T798-F802 WeakPolarHBondContact CA-O 3.42Å |
| 799 | I | 96.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 52.2 Ų | 52.2 | 8% | 0.082 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 122.7 | 176.8 | -56.5 | -173.3 | 0 | 0 | 0 | 107.8 | F744 I782 A785 V786 I797 G801 F802 I804 | F744-I799 HydrophobicContact CE2-CB 4.07Å; F744-I799 HydrophobicContact CE2-CG2 3.97Å; I782-I799 HydrophobicContact CD1-CG2 4.17Å; I782-I799 HydrophobicContact CG1-CG2 4.14Å; I782-I799 HydrophobicContact CG2-CD1 3.91Å; I782-I799 HydrophobicContact CG2-CG2 3.98Å; A785-I799 HydrophobicContact CB-CD1 4.42Å; V786-I799 HydrophobicContact CG2-CD1 3.77Å; I797-I799 HydrophobicContact CD1-CD1 3.8Å; I797-I799 HydrophobicContact CD1-CG1 4.08Å; I797-I799 HydrophobicContact CG1-CD1 4.49Å; I797-I799 HydrophobicContact CG1-CG1 4.33Å; I799-G801 PolarHBondContact O-N 3.14Å; I799-G801 VanDerWaalsContact O-N 3.1Å; I799-F802 PolarHBondContact N-O 3.33Å; I799-F802 WeakPolarHBondContact O-CB 3.39Å; I799-F802 PolarHBondContact O-N 2.87Å; I799-I804 HydrophobicContact CB-CG1 4.3Å; I799-I804 HydrophobicContact CD1-CG1 4.33Å; I799-I804 HydrophobicContact CG1-CG1 4.16Å |
| 800 | N | 95.3 | Very high | 97.4 | Very high | 94 Ų | 94 | 52.7 Ų | 52.7 | 50% | 0.503 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 33.6 | -177.4 | -60.9 | -11.8 | 0 | 0 | 0 | 113.7 | S747 F802 | S747-N800 PolarHBondContact O-ND2 3.28Å; S747-N800 VanDerWaalsContact O-ND2 3.13Å; S747-N800 PolarHBondContact OG-ND2 2.85Å; S747-N800 VanDerWaalsContact OG-ND2 3.12Å; N800-F802 VanDerWaalsContact C-N 3.28Å; N800-F802 HydrophobicContact CB-CD2 4.22Å; N800-F802 WeakPolarHBondContact O-CD2 3.35Å; N800-F802 PolarHBondContact O-N 3.35Å |
| 801 | G | 95.8 | Very high | 97.4 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 68% | 0.68 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | -6.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | I799 | I799-G801 PolarHBondContact O-N 3.14Å; I799-G801 VanDerWaalsContact O-N 3.1Å |
| 802 | F | 97.7 | Very high | 97.4 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 22% | 0.224 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 133.4 | 176 | -63.4 | -89.8 | 0 | 0 | 0 | 111.2 | D740 A743 F744 T798 I799 N800 I804 I827 | D740-F802 HydrophobicContact CB-CD1 4.45Å; D740-F802 HydrophobicContact CB-CE1 4.33Å; A743-F802 HydrophobicContact CB-CE1 3.87Å; A743-F802 HydrophobicContact CB-CZ 3.89Å; F744-F802 HydrophobicContact CB-CD1 3.96Å; F744-F802 HydrophobicContact CB-CD2 4.21Å; F744-F802 HydrophobicContact CB-CE1 4.18Å; F744-F802 HydrophobicContact CB-CE2 4.42Å; F744-F802 HydrophobicContact CB-CG 3.98Å; F744-F802 HydrophobicContact CB-CZ 4.41Å; F744-F802 HydrophobicContact CD2-CB 3.93Å; F744-F802 AromaticContact CD2-CD2 3.83Å; F744-F802 HydrophobicContact CD2-CD2 3.83Å; F744-F802 AromaticContact CD2-CG 3.92Å; F744-F802 HydrophobicContact CD2-CG 3.92Å; F744-F802 HydrophobicContact CG-CG 4.4Å; T798-F802 WeakPolarHBondContact CA-O 3.42Å; I799-F802 PolarHBondContact N-O 3.33Å; I799-F802 WeakPolarHBondContact O-CB 3.39Å; I799-F802 PolarHBondContact O-N 2.87Å; N800-F802 VanDerWaalsContact C-N 3.28Å; N800-F802 HydrophobicContact CB-CD2 4.22Å; N800-F802 WeakPolarHBondContact O-CD2 3.35Å; N800-F802 PolarHBondContact O-N 3.35Å; F802-I804 HydrophobicContact CB-CD1 4.16Å; F802-I804 PolarHBondContact O-N 3.4Å; F802-I827 HydrophobicContact CB-CD1 4.41Å; F802-I827 HydrophobicContact CD1-CD1 4.38Å |
| 803 | S | 97.5 | Very high | 97.4 | Very high | 52 Ų | 52 | 50.7 Ų | 50.7 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 116.4 | 171.9 | -60.4 | 0 | 0 | 0 | 0 | 110.5 | I827 | S803-I827 PolarHBondContact O-N 3.48Å |
| 804 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 117.3 | 177.6 | -47.9 | -55.9 | 0 | 0 | 0 | 108 | F744 V786 M789 Q796 I797 I799 F802 I827 V829 | F744-I804 HydrophobicContact CD2-CD1 4.11Å; F744-I804 HydrophobicContact CE1-CD1 4.32Å; F744-I804 HydrophobicContact CE2-CD1 3.86Å; F744-I804 HydrophobicContact CG-CD1 4.45Å; F744-I804 HydrophobicContact CZ-CD1 3.96Å; V786-I804 HydrophobicContact CG2-CG2 4.35Å; M789-I804 HydrophobicContact CE-CG2 4.38Å; Q796-I804 CarbonylContact C-O 3.42Å; Q796-I804 WeakPolarHBondContact CA-O 3.5Å; Q796-I804 WeakPolarHBondContact CB-O 3.17Å; I797-I804 HydrophobicContact CG1-CB 3.91Å; I797-I804 HydrophobicContact CG1-CG2 4.48Å; I797-I804 PolarHBondContact N-O 2.65Å; I797-I804 PolarHBondContact O-N 3.31Å; I799-I804 HydrophobicContact CB-CG1 4.3Å; I799-I804 HydrophobicContact CD1-CG1 4.33Å; I799-I804 HydrophobicContact CG1-CG1 4.16Å; F802-I804 HydrophobicContact CB-CD1 4.16Å; F802-I804 PolarHBondContact O-N 3.4Å; I804-I827 CarbonylContact C-O 3.56Å; I804-I827 WeakPolarHBondContact CA-O 3.49Å; I804-I827 HydrophobicContact CD1-CB 3.8Å; I804-I827 HydrophobicContact CD1-CD1 3.91Å; I804-I827 HydrophobicContact CD1-CG1 4.4Å; I804-I827 HydrophobicContact CD1-CG2 4.09Å; I804-V829 HydrophobicContact CG2-CG2 3.36Å |
| 805 | S | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.8 | -171.7 | -60.8 | 0 | 0 | 0 | 0 | 111.9 | G807 I813 T826 I827 V829 | S805-G807 PolarHBondContact O-N 2.97Å; S805-I813 VanDerWaalsContact CB-CD1 3.47Å; S805-I813 WeakPolarHBondContact OG-CD1 3.18Å; S805-T826 WeakPolarHBondContact CB-OG1 3.3Å; S805-T826 VanDerWaalsContact OG-CB 3.22Å; S805-T826 WeakPolarHBondContact OG-CB 3.35Å; S805-T826 PolarHBondContact OG-OG1 3.13Å; S805-I827 PolarHBondContact N-O 2.6Å; S805-V829 PolarHBondContact O-N 3.34Å |
| 806 | N | 98.6 | Very high | 97.4 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 3% | 0.032 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 124.1 | 169.4 | -174.7 | -25.8 | 0 | 0 | 0 | 109.9 | M789 I790 Q794 I795 L808 A809 Q834 | M789-N806 HydrophobicContact CE-CB 4.07Å; M789-N806 HydrophobicContact SD-CB 4.38Å; I790-N806 HydrophobicContact CD1-CB 4.38Å; Q794-N806 WeakPolarHBondContact O-CB 3.39Å; Q794-N806 PolarHBondContact O-ND2 3.27Å; I795-N806 VanDerWaalsContact O-CB 3.32Å; I795-N806 WeakPolarHBondContact O-CB 3.5Å; I795-N806 PolarHBondContact O-N 2.9Å; N806-L808 PolarHBondContact O-N 3.03Å; N806-L808 VanDerWaalsContact O-N 3.1Å; N806-L808 PolarHBondContact OD1-N 3.03Å; N806-L808 VanDerWaalsContact OD1-N 3.13Å; N806-A809 HydrophobicContact CB-CB 4.39Å; N806-A809 PolarHBondContact O-N 3.43Å; N806-Q834 PolarHBondContact OD1-NE2 2.74Å |
| 807 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -17.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | S805 I828 V829 R913 | S805-G807 PolarHBondContact O-N 2.97Å; G807-I828 VanDerWaalsContact CA-CG2 3.46Å; G807-V829 WeakPolarHBondContact CA-O 3.35Å; G807-V829 PolarHBondContact N-O 3.26Å; G807-R913 PolarHBondContact O-NH2 3.11Å |
| 808 | L | 97.9 | Very high | 97.5 | Very high | 73 Ų | 73 | 43.5 Ų | 43.5 | 38% | 0.382 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -8.9 | 173 | -66.3 | -179.4 | 0 | 0 | 0 | 113.5 | N806 Q834 Y835 | N806-L808 PolarHBondContact O-N 3.03Å; N806-L808 VanDerWaalsContact O-N 3.1Å; N806-L808 PolarHBondContact OD1-N 3.03Å; N806-L808 VanDerWaalsContact OD1-N 3.13Å; L808-Q834 HydrophobicContact CD1-CB 3.79Å; L808-Q834 HydrophobicContact CD1-CG 3.81Å; L808-Q834 HydrophobicContact CD2-CB 4.4Å; L808-Q834 HydrophobicContact CG-CB 4.05Å; L808-Q834 HydrophobicContact CG-CG 3.97Å; L808-Y835 HydrophobicContact CD2-CE1 3.71Å |
| 809 | A | 98 | Very high | 97.4 | Very high | 5 Ų | 5 | 39.8 Ų | 39.8 | 4% | 0.041 | 23% | 0.226 | C | C | . | . | trans | -111.2 | 14.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | I795 N806 T811 Q812 I813 | I795-A809 HydrophobicContact CB-CB 4.24Å; I795-A809 HydrophobicContact CG1-CB 4.23Å; I795-A809 HydrophobicContact CG2-CB 3.93Å; N806-A809 HydrophobicContact CB-CB 4.39Å; N806-A809 PolarHBondContact O-N 3.43Å; A809-T811 VanDerWaalsContact C-N 3.29Å; A809-T811 PolarHBondContact O-N 3.23Å; A809-Q812 WeakPolarHBondContact O-CB 3.34Å; A809-Q812 PolarHBondContact O-N 3.2Å; A809-I813 HydrophobicContact CB-CD1 4.44Å; A809-I813 WeakPolarHBondContact O-CG1 3.37Å; A809-I813 PolarHBondContact O-N 3.19Å; A809-I813 VanDerWaalsContact O-N 3.16Å | ||
| 810 | T | 97.5 | Very high | 97.5 | Very high | 9 Ų | 9 | 39.2 Ų | 39.2 | 6% | 0.055 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -36.7 | -176.1 | 51.3 | 0 | 0 | 0 | 0 | 113 | Q812 I813 N814 I828 | T810-Q812 VanDerWaalsContact C-N 3.27Å; T810-Q812 PolarHBondContact O-N 2.98Å; T810-I813 PolarHBondContact O-N 3.05Å; T810-N814 CarbonylContact O-C 3.57Å; T810-N814 VanDerWaalsContact O-C 3.27Å; T810-N814 PolarHBondContact O-N 3.18Å; T810-N814 VanDerWaalsContact O-O 3.08Å; T810-I828 HydrophobicContact CG2-CD1 4.03Å |
| 811 | T | 96.7 | Very high | 97.6 | Very high | 60 Ų | 60 | 36.1 Ų | 36.1 | 37% | 0.368 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.7 | -31.2 | 175.9 | 51.8 | 0 | 0 | 0 | 0 | 113.2 | A809 A818 P907 | A809-T811 VanDerWaalsContact C-N 3.29Å; A809-T811 PolarHBondContact O-N 3.23Å; T811-A818 HydrophobicContact CG2-CB 3.64Å; T811-P907 HydrophobicContact CG2-CB 4.28Å; T811-P907 HydrophobicContact CG2-CG 3.47Å; T811-P907 VanDerWaalsContact CG2-CG 3.47Å |
| 812 | Q | 97.2 | Very high | 97.7 | Very high | 132 Ų | 132 | 35.6 Ų | 35.6 | 62% | 0.617 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -79.6 | -27.9 | 178 | -60 | 173 | 51.4 | 0 | 0 | 111.9 | A809 T810 | A809-Q812 WeakPolarHBondContact O-CB 3.34Å; A809-Q812 PolarHBondContact O-N 3.2Å; T810-Q812 VanDerWaalsContact C-N 3.27Å; T810-Q812 PolarHBondContact O-N 2.98Å |
| 813 | I | 97 | Very high | 97.8 | Very high | 55 Ų | 55 | 35.5 Ų | 35.5 | 28% | 0.282 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -87 | -51.4 | -178.2 | -62.7 | 169.1 | 0 | 0 | 0 | 110.8 | I795 S805 A809 T810 | I795-I813 HydrophobicContact CG2-CD1 3.83Å; I795-I813 HydrophobicContact CG2-CG1 3.6Å; S805-I813 VanDerWaalsContact CB-CD1 3.47Å; S805-I813 WeakPolarHBondContact OG-CD1 3.18Å; A809-I813 HydrophobicContact CB-CD1 4.44Å; A809-I813 WeakPolarHBondContact O-CG1 3.37Å; A809-I813 PolarHBondContact O-N 3.19Å; A809-I813 VanDerWaalsContact O-N 3.16Å; T810-I813 PolarHBondContact O-N 3.05Å |
| 814 | N | 97.2 | Very high | 97.8 | Very high | 32 Ų | 32 | 33.3 Ų | 33.3 | 17% | 0.171 | 18% | 0.175 | C | C | . | . | trans | -154.9 | 102.7 | 175 | -178.4 | -9.8 | 0 | 0 | 0 | 109.7 | T810 K816 A817 A818 E822 | T810-N814 CarbonylContact O-C 3.57Å; T810-N814 VanDerWaalsContact O-C 3.27Å; T810-N814 PolarHBondContact O-N 3.18Å; T810-N814 VanDerWaalsContact O-O 3.08Å; N814-K816 VanDerWaalsContact C-N 3.33Å; N814-K816 PolarHBondContact O-N 3.09Å; N814-K816 PolarHBondContact OD1-N 3.22Å; N814-A817 HydrophobicContact CB-CB 3.85Å; N814-A817 WeakPolarHBondContact O-CB 3.45Å; N814-A817 PolarHBondContact O-N 3.39Å; N814-A817 VanDerWaalsContact O-N 3.09Å; N814-A817 PolarHBondContact OD1-N 3.09Å; N814-A818 PolarHBondContact O-N 2.96Å; N814-E822 PolarHBondContact ND2-OE2 3.4Å | ||
| 815 | N | 97.5 | Very high | 97.7 | Very high | 94 Ų | 94 | 41.8 Ų | 41.8 | 50% | 0.503 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.8 | -38 | -179.8 | -171.7 | 65.1 | 0 | 0 | 0 | 113.3 | A817 A818 T819 | N815-A817 VanDerWaalsContact C-N 3.28Å; N815-A817 PolarHBondContact O-N 2.96Å; N815-A818 WeakPolarHBondContact O-CB 3.35Å; N815-A818 PolarHBondContact O-N 3.15Å; N815-A818 VanDerWaalsContact O-N 3.13Å; N815-T819 PolarHBondContact O-N 2.94Å; N815-T819 PolarHBondContact O-OG1 2.98Å |
| 816 | K | 97.9 | Very high | 97.6 | Very high | 63 Ų | 63 | 43 Ų | 43 | 27% | 0.274 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -64.9 | -33.7 | 175.8 | -78 | -169.4 | 172.5 | -84.4 | 0 | 111.8 | N600 N814 T819 G820 E821 E822 | N600-K816 PolarHBondContact OD1-NZ 3.23Å; N814-K816 VanDerWaalsContact C-N 3.33Å; N814-K816 PolarHBondContact O-N 3.09Å; N814-K816 PolarHBondContact OD1-N 3.22Å; K816-T819 PolarHBondContact O-OG1 3.41Å; K816-T819 VanDerWaalsContact O-OG1 3.08Å; K816-G820 PolarHBondContact O-N 3.07Å; K816-E821 HydrophobicContact CB-CB 4.01Å; K816-E821 HydrophobicContact CG-CB 4.25Å; K816-E821 IonicContact NZ-OE2 3.05Å; K816-E821 PolarHBondContact NZ-OE2 2.97Å; K816-E821 WeakPolarHBondContact O-CA 3.41Å; K816-E821 WeakPolarHBondContact O-CB 3.48Å; K816-E821 PolarHBondContact O-N 3.28Å; K816-E822 HydrophobicContact CB-CB 4.13Å; K816-E822 HydrophobicContact CB-CG 3.88Å; K816-E822 HydrophobicContact CD-CG 4.43Å; K816-E822 PolarHBondContact O-N 3.25Å |
| 817 | A | 97.8 | Very high | 97.6 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.041 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.9 | -38.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | N814 N815 T819 G820 E822 P824 E909 | N814-A817 HydrophobicContact CB-CB 3.85Å; N814-A817 WeakPolarHBondContact O-CB 3.45Å; N814-A817 PolarHBondContact O-N 3.39Å; N814-A817 VanDerWaalsContact O-N 3.09Å; N814-A817 PolarHBondContact OD1-N 3.09Å; N815-A817 VanDerWaalsContact C-N 3.28Å; N815-A817 PolarHBondContact O-N 2.96Å; A817-T819 PolarHBondContact O-N 3.28Å; A817-G820 PolarHBondContact O-N 2.89Å; A817-E822 WeakPolarHBondContact CA-O 3.5Å; A817-E822 HydrophobicContact CB-CB 4.48Å; A817-P824 HydrophobicContact CB-CB 4.41Å; A817-P824 HydrophobicContact CB-CG 4.1Å; A817-E909 VanDerWaalsContact O-CB 3.26Å; A817-E909 WeakPolarHBondContact O-CB 3.41Å |
| 818 | A | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -65 | -36.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T811 N814 N815 G820 P907 K908 E909 | T811-A818 HydrophobicContact CG2-CB 3.64Å; N814-A818 PolarHBondContact O-N 2.96Å; N815-A818 WeakPolarHBondContact O-CB 3.35Å; N815-A818 PolarHBondContact O-N 3.15Å; N815-A818 VanDerWaalsContact O-N 3.13Å; A818-G820 VanDerWaalsContact C-N 3.3Å; A818-P907 HydrophobicContact CB-CB 3.85Å; A818-P907 HydrophobicContact CB-CG 4.33Å; A818-P907 CarbonylContact O-C 3.55Å; A818-P907 WeakPolarHBondContact O-CB 3.4Å; A818-K908 PolarHBondContact O-N 3.3Å; A818-E909 WeakPolarHBondContact O-CB 3.06Å; A818-E909 PolarHBondContact O-N 2.91Å |
| 819 | T | 97.5 | Very high | 97.7 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 14% | 0.135 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -78.7 | -11 | 176 | 54.9 | 0 | 0 | 0 | 0 | 113.5 | N815 K816 A817 E821 K908 | N815-T819 PolarHBondContact O-N 2.94Å; N815-T819 PolarHBondContact O-OG1 2.98Å; K816-T819 PolarHBondContact O-OG1 3.41Å; K816-T819 VanDerWaalsContact O-OG1 3.08Å; A817-T819 PolarHBondContact O-N 3.28Å; T819-E821 WeakPolarHBondContact OG1-CG 3.3Å; T819-E821 PolarHBondContact OG1-OE1 3Å; T819-K908 WeakPolarHBondContact O-CB 3.16Å |
| 820 | G | 97.8 | Very high | 97.7 | Very high | 5 Ų | 5 | 39.2 Ų | 39.2 | 5% | 0.052 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 10.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | M711 K816 A817 A818 | M711-G820 WeakPolarHBondContact CE-O 3.48Å; K816-G820 PolarHBondContact O-N 3.07Å; A817-G820 PolarHBondContact O-N 2.89Å; A818-G820 VanDerWaalsContact C-N 3.3Å |
| 821 | E | 98.2 | Very high | 97.8 | Very high | 29 Ų | 29 | 38.9 Ų | 38.9 | 14% | 0.136 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -75.2 | -26.5 | 174.1 | -73 | 176.3 | -100.2 | 0 | 0 | 112.8 | T599 N600 F601 K816 T819 | T599-E821 WeakPolarHBondContact CA-OE2 3.44Å; N600-E821 HydrophobicContact CB-CB 3.75Å; N600-E821 HydrophobicContact CB-CG 3.98Å; N600-E821 PolarHBondContact N-OE2 3.35Å; N600-E821 PolarHBondContact ND2-O 3.3Å; F601-E821 HydrophobicContact CD2-CG 3.97Å; F601-E821 HydrophobicContact CE2-CG 3.52Å; F601-E821 HydrophobicContact CZ-CG 3.93Å; K816-E821 HydrophobicContact CB-CB 4.01Å; K816-E821 HydrophobicContact CG-CB 4.25Å; K816-E821 IonicContact NZ-OE2 3.05Å; K816-E821 PolarHBondContact NZ-OE2 2.97Å; K816-E821 WeakPolarHBondContact O-CA 3.41Å; K816-E821 WeakPolarHBondContact O-CB 3.48Å; K816-E821 PolarHBondContact O-N 3.28Å; T819-E821 WeakPolarHBondContact OG1-CG 3.3Å; T819-E821 PolarHBondContact OG1-OE1 3Å |
| 822 | E | 98.1 | Very high | 97.8 | Very high | 55 Ų | 55 | 36 Ų | 36 | 26% | 0.257 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -127.9 | 155 | 173 | -76.4 | -177.9 | -160 | 0 | 0 | 110.4 | N814 K816 A817 R825 | N814-E822 PolarHBondContact ND2-OE2 3.4Å; K816-E822 HydrophobicContact CB-CB 4.13Å; K816-E822 HydrophobicContact CB-CG 3.88Å; K816-E822 HydrophobicContact CD-CG 4.43Å; K816-E822 PolarHBondContact O-N 3.25Å; A817-E822 WeakPolarHBondContact CA-O 3.5Å; A817-E822 HydrophobicContact CB-CB 4.48Å; E822-R825 IonicContact OE2-CZ 2.91Å; E822-R825 IonicContact OE2-NH1 2.72Å; E822-R825 PolarHBondContact OE2-NH1 2.99Å; E822-R825 IonicContact OE2-NH2 3.54Å; E822-R825 PolarHBondContact OE2-NH2 3.48Å |
| 823 | V | 98.2 | Very high | 97.8 | Very high | 48 Ų | 48 | 32.4 Ų | 32.4 | 29% | 0.291 | 16% | 0.164 | S | C | . | . | trans | -78.1 | 132.9 | 168.6 | -178.4 | 0 | 0 | 0 | 0 | 108.9 | P713 I739 R825 | P713-V823 HydrophobicContact CG-CB 4.38Å; P713-V823 HydrophobicContact CG-CG1 3.76Å; P713-V823 HydrophobicContact CG-CG2 3.64Å; I739-V823 HydrophobicContact CD1-CG1 3.9Å; I739-V823 HydrophobicContact CG1-CG1 3.83Å; V823-R825 PolarHBondContact O-N 3.3Å | ||
| 824 | P | 97.9 | Very high | 97.8 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 4% | 0.039 | 16% | 0.157 | C | C | . | . | trans | -55.2 | 130.3 | 173.5 | -25.6 | 33.5 | 0 | 0 | 0 | 112.8 | A817 I828 E909 | A817-P824 HydrophobicContact CB-CB 4.41Å; A817-P824 HydrophobicContact CB-CG 4.1Å; P824-I828 HydrophobicContact CB-CD1 3.58Å; P824-I828 HydrophobicContact CB-CG1 4.41Å; P824-I828 HydrophobicContact CG-CD1 3.69Å; P824-E909 HydrophobicContact CG-CG 4.09Å | ||
| 825 | R | 96.2 | Very high | 97.9 | Very high | 179 Ų | 179 | 30.6 Ų | 30.6 | 68% | 0.675 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -92 | 4.8 | 178.6 | -64.5 | -170.2 | -77.8 | -92.5 | -0.2 | 113.6 | E822 V823 | E822-R825 IonicContact OE2-CZ 2.91Å; E822-R825 IonicContact OE2-NH1 2.72Å; E822-R825 PolarHBondContact OE2-NH1 2.99Å; E822-R825 IonicContact OE2-NH2 3.54Å; E822-R825 PolarHBondContact OE2-NH2 3.48Å; V823-R825 PolarHBondContact O-N 3.3Å |
| 826 | T | 97.5 | Very high | 97.9 | Very high | 24 Ų | 24 | 28.9 Ų | 28.9 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -120.8 | 166 | 179.9 | 64.5 | 0 | 0 | 0 | 0 | 110.6 | S805 | S805-T826 WeakPolarHBondContact CB-OG1 3.3Å; S805-T826 VanDerWaalsContact OG-CB 3.22Å; S805-T826 WeakPolarHBondContact OG-CB 3.35Å; S805-T826 PolarHBondContact OG-OG1 3.13Å |
| 827 | I | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 26.2 Ų | 26.2 | 2% | 0.021 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120.1 | 169.9 | -63.9 | 169.9 | 0 | 0 | 0 | 107.7 | L736 N737 L741 F744 F802 S803 I804 S805 | L736-I827 HydrophobicContact CB-CG2 4.23Å; L736-I827 HydrophobicContact CD2-CG2 4.16Å; N737-I827 CarbonylContact O-C 3.59Å; N737-I827 WeakPolarHBondContact O-CA 3.43Å; L741-I827 HydrophobicContact CD1-CG2 4.11Å; F744-I827 HydrophobicContact CB-CD1 3.19Å; F744-I827 HydrophobicContact CD1-CD1 3.74Å; F744-I827 HydrophobicContact CD2-CD1 4.23Å; F744-I827 HydrophobicContact CG-CD1 3.46Å; F744-I827 VanDerWaalsContact CG-CD1 3.46Å; F802-I827 HydrophobicContact CB-CD1 4.41Å; F802-I827 HydrophobicContact CD1-CD1 4.38Å; S803-I827 PolarHBondContact O-N 3.48Å; I804-I827 CarbonylContact C-O 3.56Å; I804-I827 WeakPolarHBondContact CA-O 3.49Å; I804-I827 HydrophobicContact CD1-CB 3.8Å; I804-I827 HydrophobicContact CD1-CD1 3.91Å; I804-I827 HydrophobicContact CD1-CG1 4.4Å; I804-I827 HydrophobicContact CD1-CG2 4.09Å; S805-I827 PolarHBondContact N-O 2.6Å |
| 828 | I | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.8 | -177.2 | -57.3 | 169.9 | 0 | 0 | 0 | 110.1 | L736 N737 G807 T810 P824 | L736-I828 WeakPolarHBondContact CA-O 3.2Å; N737-I828 PolarHBondContact N-O 3.36Å; N737-I828 PolarHBondContact O-N 2.9Å; G807-I828 VanDerWaalsContact CA-CG2 3.46Å; T810-I828 HydrophobicContact CG2-CD1 4.03Å; P824-I828 HydrophobicContact CB-CD1 3.58Å; P824-I828 HydrophobicContact CB-CG1 4.41Å; P824-I828 HydrophobicContact CG-CD1 3.69Å |
| 829 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 127.1 | 175.1 | -175.2 | 0 | 0 | 0 | 0 | 109.6 | I734 V735 L736 V786 M789 I790 I804 S805 G807 T831 Q834 | I734-V829 HydrophobicContact CG2-CG1 4.3Å; V735-V829 WeakPolarHBondContact O-CA 3.48Å; L736-V829 HydrophobicContact CD2-CG2 4.27Å; L736-V829 HydrophobicContact CG-CG2 4.2Å; V786-V829 HydrophobicContact CG1-CB 4.31Å; V786-V829 HydrophobicContact CG1-CG1 3.68Å; V786-V829 HydrophobicContact CG1-CG2 3.75Å; M789-V829 HydrophobicContact CE-CB 4.12Å; M789-V829 HydrophobicContact CE-CG2 4.06Å; I790-V829 HydrophobicContact CD1-CB 4.16Å; I790-V829 HydrophobicContact CD1-CG1 3.91Å; I790-V829 HydrophobicContact CG1-CG1 4.06Å; I804-V829 HydrophobicContact CG2-CG2 3.36Å; S805-V829 PolarHBondContact O-N 3.34Å; G807-V829 WeakPolarHBondContact CA-O 3.35Å; G807-V829 PolarHBondContact N-O 3.26Å; V829-T831 HydrophobicContact CG1-CG2 4.01Å; V829-Q834 PolarHBondContact O-NE2 3.24Å |
| 830 | T | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 126.4 | -179.6 | -45.5 | 0 | 0 | 0 | 0 | 109.3 | V735 Q834 Y835 R913 R914 L917 | V735-T830 PolarHBondContact N-O 3.35Å; V735-T830 PolarHBondContact O-N 3.06Å; T830-Q834 VanDerWaalsContact CA-OE1 3.31Å; T830-Y835 HydrophobicContact CG2-CE2 4.23Å; T830-R913 HydrophobicContact CG2-CG 4.35Å; T830-R913 VanDerWaalsContact OG1-CD 3.26Å; T830-R913 WeakPolarHBondContact OG1-CD 3.39Å; T830-R913 WeakPolarHBondContact OG1-CG 3.05Å; T830-R913 PolarHBondContact OG1-NH1 2.92Å; T830-R914 HydrophobicContact CG2-CB 4.43Å; T830-L917 HydrophobicContact CG2-CD1 3.9Å; T830-L917 HydrophobicContact CG2-CD2 4.16Å; T830-L917 HydrophobicContact CG2-CG 4.02Å |
| 831 | T | 98.3 | Very high | 97.3 | Very high | 3 Ų | 3 | 34.5 Ų | 34.5 | 2% | 0.018 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 154.8 | -174.2 | 76.8 | 0 | 0 | 0 | 0 | 112.4 | R733 I734 I790 V829 S833 Q834 Y835 L917 | R733-T831 CarbonylContact O-C 3.29Å; R733-T831 VanDerWaalsContact O-CA 3.24Å; R733-T831 WeakPolarHBondContact O-CA 3.29Å; I734-T831 HydrophobicContact CB-CG2 4.36Å; I734-T831 HydrophobicContact CG1-CG2 4.12Å; I734-T831 HydrophobicContact CG2-CG2 3.99Å; I790-T831 HydrophobicContact CD1-CG2 4.28Å; I790-T831 HydrophobicContact CG1-CG2 3.98Å; I790-T831 HydrophobicContact CG2-CG2 4.09Å; V829-T831 HydrophobicContact CG1-CG2 4.01Å; T831-S833 VanDerWaalsContact C-N 3.34Å; T831-S833 PolarHBondContact OG1-OG 2.97Å; T831-Q834 WeakPolarHBondContact O-CB 3.49Å; T831-Q834 PolarHBondContact O-N 3.27Å; T831-Q834 WeakPolarHBondContact OG1-CG 3.49Å; T831-Q834 PolarHBondContact OG1-N 3.01Å; T831-Y835 WeakPolarHBondContact O-CD2 3.43Å; T831-L917 WeakPolarHBondContact O-CD1 3.41Å |
| 832 | R | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -61.8 | -40.8 | 170.5 | -79.9 | -166.6 | 173.6 | -167.6 | -5.9 | 112.8 | R733 Q834 Y835 G836 L837 P838 E839 A841 V843 L917 D919 | R733-R832 PolarHBondContact O-N 3.35Å; R832-Q834 VanDerWaalsContact C-N 3.27Å; R832-Q834 PolarHBondContact O-N 3.05Å; R832-Y835 PolarHBondContact O-N 3.22Å; R832-G836 PolarHBondContact O-N 3.23Å; R832-L837 HydrophobicContact CB-CB 3.85Å; R832-L837 HydrophobicContact CG-CB 4.03Å; R832-L837 HydrophobicContact CG-CD1 4.26Å; R832-L837 PolarHBondContact O-N 3.15Å; R832-P838 WeakPolarHBondContact CD-O 3.15Å; R832-P838 PolarHBondContact NH1-O 3.28Å; R832-E839 WeakPolarHBondContact CB-OE1 3.26Å; R832-A841 PolarHBondContact NH1-O 3.38Å; R832-V843 VanDerWaalsContact NH2-CG2 3.34Å; R832-L917 HydrophobicContact CG-CB 4.29Å; R832-L917 HydrophobicContact CG-CD2 4.42Å; R832-L917 PolarHBondContact NE-O 3.14Å; R832-L917 VanDerWaalsContact NE-O 3.15Å; R832-L917 PolarHBondContact NH2-O 2.92Å; R832-D919 IonicContact CZ-OD2 3.41Å; R832-D919 IonicContact NH2-OD1 3.4Å; R832-D919 IonicContact NH2-OD2 2.62Å; R832-D919 PolarHBondContact NH2-OD2 2.93Å |
| 833 | S | 96.8 | Very high | 97.4 | Very high | 56 Ų | 56 | 31 Ų | 31 | 39% | 0.392 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -56.2 | -35.2 | 177.4 | 62 | 0 | 0 | 0 | 0 | 114.3 | T831 Y835 G836 E839 | T831-S833 VanDerWaalsContact C-N 3.34Å; T831-S833 PolarHBondContact OG1-OG 2.97Å; S833-Y835 PolarHBondContact O-N 3.45Å; S833-G836 PolarHBondContact O-N 3.17Å; S833-E839 PolarHBondContact N-OE1 2.95Å |
| 834 | Q | 97.8 | Very high | 97.4 | Very high | 30 Ų | 30 | 28.7 Ų | 28.7 | 14% | 0.14 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -57 | -30.4 | 175.6 | -79.6 | 168.5 | -33.8 | 0 | 0 | 113.3 | I790 N806 L808 V829 T830 T831 R832 | I790-Q834 HydrophobicContact CG2-CG 3.88Å; N806-Q834 PolarHBondContact OD1-NE2 2.74Å; L808-Q834 HydrophobicContact CD1-CB 3.79Å; L808-Q834 HydrophobicContact CD1-CG 3.81Å; L808-Q834 HydrophobicContact CD2-CB 4.4Å; L808-Q834 HydrophobicContact CG-CB 4.05Å; L808-Q834 HydrophobicContact CG-CG 3.97Å; V829-Q834 PolarHBondContact O-NE2 3.24Å; T830-Q834 VanDerWaalsContact CA-OE1 3.31Å; T831-Q834 WeakPolarHBondContact O-CB 3.49Å; T831-Q834 PolarHBondContact O-N 3.27Å; T831-Q834 WeakPolarHBondContact OG1-CG 3.49Å; T831-Q834 PolarHBondContact OG1-N 3.01Å; R832-Q834 VanDerWaalsContact C-N 3.27Å; R832-Q834 PolarHBondContact O-N 3.05Å |
| 835 | Y | 98 | Very high | 97.5 | Very high | 19 Ų | 19 | 28.4 Ų | 28.4 | 8% | 0.075 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -110 | 10.7 | -175.8 | -59.2 | -76.8 | 0 | 0 | 0 | 112.8 | L808 T830 T831 R832 S833 L837 W874 E910 R914 L917 | L808-Y835 HydrophobicContact CD2-CE1 3.71Å; T830-Y835 HydrophobicContact CG2-CE2 4.23Å; T831-Y835 WeakPolarHBondContact O-CD2 3.43Å; R832-Y835 PolarHBondContact O-N 3.22Å; S833-Y835 PolarHBondContact O-N 3.45Å; Y835-L837 PolarHBondContact O-N 3.39Å; Y835-W874 HydrophobicContact CD1-CH2 4.31Å; Y835-W874 AromaticContact CD1-CZ2 3.74Å; Y835-W874 HydrophobicContact CD1-CZ2 3.74Å; Y835-W874 AromaticContact CD2-CH2 3.97Å; Y835-W874 HydrophobicContact CD2-CH2 3.97Å; Y835-W874 HydrophobicContact CD2-CZ2 4.13Å; Y835-W874 HydrophobicContact CE1-CZ2 4.46Å; Y835-W874 HydrophobicContact CE2-CH2 4.46Å; Y835-W874 AromaticContact CG-CH2 3.88Å; Y835-W874 HydrophobicContact CG-CH2 3.88Å; Y835-W874 AromaticContact CG-CZ2 3.54Å; Y835-W874 HydrophobicContact CG-CZ2 3.54Å; Y835-E910 WeakPolarHBondContact CE1-OE1 3.48Å; Y835-E910 VanDerWaalsContact OH-CD 3.26Å; Y835-E910 WeakPolarHBondContact OH-CG 3.31Å; Y835-E910 PolarHBondContact OH-OE1 3.24Å; Y835-R914 HydrophobicContact CE2-CB 3.84Å; Y835-L917 HydrophobicContact CD2-CD1 3.47Å; Y835-L917 VanDerWaalsContact CD2-CD1 3.47Å; Y835-L917 HydrophobicContact CE2-CD1 3.7Å |
| 836 | G | 96.8 | Very high | 97.6 | Very high | 57 Ų | 57 | 20 Ų | 20 | 59% | 0.588 | 12% | 0.124 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.5 | 25 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | R832 S833 | R832-G836 PolarHBondContact O-N 3.23Å; S833-G836 PolarHBondContact O-N 3.17Å |
| 837 | L | 98 | Very high | 97.6 | Very high | 8 Ų | 8 | 19 Ų | 19 | 4% | 0.042 | 12% | 0.117 | C | C | . | . | trans | -85.2 | 145.8 | -179.5 | -61.4 | 171.7 | 0 | 0 | 0 | 111.2 | R832 Y835 V843 W874 I901 L917 | R832-L837 HydrophobicContact CB-CB 3.85Å; R832-L837 HydrophobicContact CG-CB 4.03Å; R832-L837 HydrophobicContact CG-CD1 4.26Å; R832-L837 PolarHBondContact O-N 3.15Å; Y835-L837 PolarHBondContact O-N 3.39Å; L837-V843 HydrophobicContact CB-CG2 4.44Å; L837-V843 HydrophobicContact CD1-CG1 4.35Å; L837-V843 HydrophobicContact CD2-CG1 4.22Å; L837-W874 HydrophobicContact CD1-CD2 3.86Å; L837-W874 HydrophobicContact CD1-CE3 3.61Å; L837-W874 HydrophobicContact CD1-CH2 3.85Å; L837-W874 HydrophobicContact CD1-CZ2 4.1Å; L837-W874 HydrophobicContact CD1-CZ3 3.6Å; L837-W874 HydrophobicContact CD2-CB 4.11Å; L837-W874 HydrophobicContact CD2-CD2 3.82Å; L837-W874 HydrophobicContact CD2-CE3 4.3Å; L837-W874 HydrophobicContact CD2-CG 3.74Å; L837-W874 HydrophobicContact CG-CD2 4.37Å; L837-I901 HydrophobicContact CD2-CB 4.41Å; L837-I901 HydrophobicContact CD2-CD1 3.95Å; L837-I901 HydrophobicContact CD2-CG2 4.18Å; L837-L917 HydrophobicContact CD1-CB 4.44Å; L837-L917 HydrophobicContact CD1-CD1 4.47Å | ||
| 838 | P | 96.5 | Very high | 97.6 | Very high | 33 Ų | 33 | 19 Ų | 19 | 21% | 0.214 | 12% | 0.118 | C | C | . | . | trans | -67.6 | 136.1 | 176.2 | 28.2 | -35.8 | 0 | 0 | 0 | 112 | R832 A841 V843 V872 | R832-P838 WeakPolarHBondContact CD-O 3.15Å; R832-P838 PolarHBondContact NH1-O 3.28Å; P838-A841 HydrophobicContact CB-CB 3.81Å; P838-A841 HydrophobicContact CG-CB 3.61Å; P838-V843 HydrophobicContact CG-CG2 4.47Å; P838-V872 HydrophobicContact CG-CB 4.49Å; P838-V872 HydrophobicContact CG-CG1 3.93Å; P838-V872 HydrophobicContact CG-CG2 3.69Å | ||
| 839 | E | 94.2 | Very high | 97.5 | Very high | 54 Ų | 54 | 23.1 Ų | 23.1 | 25% | 0.252 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -73.4 | -29.1 | 179.8 | -63.5 | -62.5 | 160.8 | 0 | 0 | 112.6 | R733 R832 S833 | R733-E839 PolarHBondContact NE-O 3.4Å; R733-E839 VanDerWaalsContact NE-O 3.12Å; R832-E839 WeakPolarHBondContact CB-OE1 3.26Å; S833-E839 PolarHBondContact N-OE1 2.95Å |
| 840 | D | 93.3 | Very high | 97.5 | Very high | 113 Ų | 113 | 23.1 Ų | 23.1 | 60% | 0.604 | 14% | 0.137 | S | C | * | . | S | Bend | trans | -113 | 12 | -168 | 64.2 | -25 | 0 | 0 | 0 | 114.3 | N870 | D840-N870 PolarHBondContact O-ND2 3.08Š|
| 841 | A | 95.9 | Very high | 97.4 | Very high | 5 Ų | 5 | 24.8 Ų | 24.8 | 4% | 0.041 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -120.6 | 162.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R733 R832 P838 N870 | R733-A841 PolarHBondContact NH2-O 3Å; R832-A841 PolarHBondContact NH1-O 3.38Å; P838-A841 HydrophobicContact CB-CB 3.81Å; P838-A841 HydrophobicContact CG-CB 3.61Å; A841-N870 WeakPolarHBondContact CB-O 3.44Å; A841-N870 VanDerWaalsContact CB-OD1 3.28Å; A841-N870 WeakPolarHBondContact CB-OD1 3.49Å |
| 842 | I | 98.5 | Very high | 97.4 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 130.1 | 169.4 | -64.4 | -63.4 | 0 | 0 | 0 | 109.8 | Y844 N870 S871 V872 D919 G984 L987 L990 | I842-Y844 HydrophobicContact CG2-CD2 4.01Å; I842-Y844 HydrophobicContact CG2-CE1 4.34Å; I842-Y844 HydrophobicContact CG2-CE2 3.67Å; I842-Y844 HydrophobicContact CG2-CG 4.48Å; I842-N870 PolarHBondContact N-O 2.87Å; I842-S871 CarbonylContact O-C 3.51Å; I842-S871 WeakPolarHBondContact O-CA 3.35Å; I842-S871 VanDerWaalsContact O-CB 3.32Å; I842-S871 WeakPolarHBondContact O-CB 3.47Å; I842-V872 PolarHBondContact O-N 3.04Å; I842-D919 WeakPolarHBondContact CA-OD2 3.25Å; I842-D919 HydrophobicContact CD1-CB 4.36Å; I842-D919 HydrophobicContact CG2-CB 4.1Å; I842-G984 WeakPolarHBondContact CG1-O 3.45Å; I842-L987 HydrophobicContact CD1-CD2 3.92Å; I842-L990 HydrophobicContact CD1-CD2 3.91Å |
| 843 | V | 98.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 102.7 | 174.5 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | R832 L837 P838 V872 W874 A918 D919 V920 | R832-V843 VanDerWaalsContact NH2-CG2 3.34Å; L837-V843 HydrophobicContact CB-CG2 4.44Å; L837-V843 HydrophobicContact CD1-CG1 4.35Å; L837-V843 HydrophobicContact CD2-CG1 4.22Å; P838-V843 HydrophobicContact CG-CG2 4.47Å; V843-V872 HydrophobicContact CB-CG2 4.38Å; V843-V872 HydrophobicContact CG1-CG2 4.45Å; V843-V872 HydrophobicContact CG2-CG2 3.81Å; V843-W874 HydrophobicContact CG1-CB 3.94Å; V843-W874 HydrophobicContact CG1-CE3 4.13Å; V843-A918 HydrophobicContact CG1-CB 4.4Å; V843-D919 PolarHBondContact N-OD2 3.27Å; V843-D919 PolarHBondContact O-N 3.37Å; V843-V920 PolarHBondContact O-N 3Å |
| 844 | Y | 99 | Very high | 97.5 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 142.4 | 161.9 | -65.4 | -76.2 | 0 | 0 | 0 | 108.9 | I842 I864 L865 V872 L873 W874 V920 L922 A980 G984 | I842-Y844 HydrophobicContact CG2-CD2 4.01Å; I842-Y844 HydrophobicContact CG2-CE1 4.34Å; I842-Y844 HydrophobicContact CG2-CE2 3.67Å; I842-Y844 HydrophobicContact CG2-CG 4.48Å; Y844-I864 HydrophobicContact CD2-CG2 4.41Å; Y844-I864 HydrophobicContact CE1-CG2 4.19Å; Y844-I864 HydrophobicContact CE2-CG2 3.8Å; Y844-L865 HydrophobicContact CD2-CD2 4.07Å; Y844-V872 PolarHBondContact N-O 3.34Å; Y844-L873 CarbonylContact O-C 3.59Å; Y844-L873 WeakPolarHBondContact O-CA 3.27Å; Y844-W874 WeakPolarHBondContact O-CB 3.24Å; Y844-W874 PolarHBondContact O-N 3.36Å; Y844-V920 CarbonylContact C-O 3.48Å; Y844-V920 WeakPolarHBondContact CA-O 3.44Å; Y844-V920 HydrophobicContact CD1-CB 3.76Å; Y844-V920 HydrophobicContact CD1-CG1 4.09Å; Y844-V920 HydrophobicContact CD1-CG2 4.5Å; Y844-V920 HydrophobicContact CE1-CB 3.95Å; Y844-V920 HydrophobicContact CE1-CG1 4.2Å; Y844-V920 HydrophobicContact CE1-CG2 4.25Å; Y844-L922 HydrophobicContact CD1-CD1 3.81Å; Y844-L922 HydrophobicContact CD1-CD2 3.75Å; Y844-L922 HydrophobicContact CD1-CG 3.68Å; Y844-L922 HydrophobicContact CE1-CD2 4.16Å; Y844-L922 HydrophobicContact CG-CD1 3.87Å; Y844-L922 HydrophobicContact CG-CG 4.13Å; Y844-A980 HydrophobicContact CE1-CB 4.27Å; Y844-A980 PolarHBondContact OH-O 3.31Å; Y844-G984 VanDerWaalsContact OH-CA 3.3Å; Y844-G984 WeakPolarHBondContact OH-CA 3.42Å |
| 845 | C | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 153.9 | 175.2 | 72.4 | 0 | 0 | 0 | 0 | 113.4 | F847 W874 A918 V920 C921 L922 | C845-F847 HydrophobicContact CB-CD1 4.42Å; C845-F847 HydrophobicContact CB-CE1 3.77Å; C845-F847 HydrophobicContact CB-CE2 4.34Å; C845-F847 HydrophobicContact CB-CZ 3.72Å; C845-W874 CarbonylContact C-O 3.44Å; C845-W874 VanDerWaalsContact CA-O 3.27Å; C845-W874 WeakPolarHBondContact CA-O 3.4Å; C845-W874 HydrophobicContact CB-CB 4.22Å; C845-W874 HydrophobicContact CB-CE3 4.36Å; C845-A918 HydrophobicContact CB-CB 3.85Å; C845-A918 WeakPolarHBondContact SG-CB 3.38Å; C845-V920 PolarHBondContact N-O 3.06Å; C845-C921 CarbonylContact O-C 3.55Å; C845-C921 VanDerWaalsContact O-CA 3.25Å; C845-C921 WeakPolarHBondContact O-CA 3.49Å; C845-C921 PolarHBondContact O-SG 2.9Å; C845-L922 PolarHBondContact O-N 3.32Å |
| 846 | N | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 122.4 | 159.3 | -174.8 | -57.7 | 0 | 0 | 0 | 108 | N848 W861 W874 L875 L876 L922 | N846-N848 PolarHBondContact ND2-ND2 3.2Å; N846-N848 VanDerWaalsContact OD1-CB 3.22Å; N846-N848 WeakPolarHBondContact OD1-CB 3.37Å; N846-N848 PolarHBondContact OD1-N 2.99Å; N846-N848 PolarHBondContact OD1-ND2 3.45Å; N846-W861 HydrophobicContact CB-CH2 3.71Å; N846-W861 HydrophobicContact CB-CZ2 4.16Å; N846-W861 HydrophobicContact CB-CZ3 4.45Å; N846-W874 PolarHBondContact N-O 2.95Å; N846-L875 HydrophobicContact CB-CD2 3.87Å; N846-L875 WeakPolarHBondContact O-CA 3.45Å; N846-L876 PolarHBondContact O-N 3.5Å; N846-L922 WeakPolarHBondContact CB-O 3.4Å; N846-L922 PolarHBondContact ND2-O 3.46Å |
| 847 | F | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 22.4 Ų | 22.4 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | trans | -108.8 | 21.5 | -177.5 | -52.5 | -42.1 | 0 | 0 | 0 | 113.8 | C845 W874 L876 H911 T932 V936 | C845-F847 HydrophobicContact CB-CD1 4.42Å; C845-F847 HydrophobicContact CB-CE1 3.77Å; C845-F847 HydrophobicContact CB-CE2 4.34Å; C845-F847 HydrophobicContact CB-CZ 3.72Å; F847-W874 AromaticContact CE1-CD2 3.71Å; F847-W874 HydrophobicContact CE1-CD2 3.71Å; F847-W874 AromaticContact CE1-CE3 3.68Å; F847-W874 HydrophobicContact CE1-CE3 3.68Å; F847-W874 HydrophobicContact CE1-CG 4.2Å; F847-W874 HydrophobicContact CE1-CH2 4.48Å; F847-W874 HydrophobicContact CE1-CZ2 4.49Å; F847-W874 HydrophobicContact CE1-CZ3 4.08Å; F847-W874 HydrophobicContact CZ-CD2 4.04Å; F847-W874 AromaticContact CZ-CE3 3.5Å; F847-W874 HydrophobicContact CZ-CE3 3.5Å; F847-W874 HydrophobicContact CZ-CH2 4.13Å; F847-W874 AromaticContact CZ-CZ3 3.56Å; F847-W874 HydrophobicContact CZ-CZ3 3.56Å; F847-L876 WeakPolarHBondContact O-CD2 3.43Å; F847-H911 VanDerWaalsContact CB-CE1 3.42Å; F847-H911 WeakPolarHBondContact CB-CE1 3.46Å; F847-T932 HydrophobicContact CB-CG2 3.93Å; F847-V936 HydrophobicContact CD2-CG1 4.02Å; F847-V936 HydrophobicContact CE2-CG1 4.41Å | ||
| 848 | N | 98.1 | Very high | 97.7 | Very high | 5 Ų | 5 | 22 Ų | 22 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | S | Bend | trans | -73.9 | 163.9 | 170.5 | -71.5 | -80.5 | 0 | 0 | 0 | 110.9 | N846 K852 G929 | N846-N848 PolarHBondContact ND2-ND2 3.2Å; N846-N848 VanDerWaalsContact OD1-CB 3.22Å; N846-N848 WeakPolarHBondContact OD1-CB 3.37Å; N846-N848 PolarHBondContact OD1-N 2.99Å; N846-N848 PolarHBondContact OD1-ND2 3.45Å; N848-K852 HydrophobicContact CB-CB 4.48Å; N848-K852 HydrophobicContact CB-CD 3.97Å; N848-K852 PolarHBondContact OD1-NZ 2.73Å; N848-G929 VanDerWaalsContact OD1-CA 3.24Å; N848-G929 WeakPolarHBondContact OD1-CA 3.38Å |
| 849 | Q | 96.9 | Very high | 97.8 | Very high | 87 Ų | 87 | 23.9 Ų | 23.9 | 41% | 0.407 | 12% | 0.124 | S | C | . | . | trans | -63.1 | 145.4 | 164 | -48.5 | -164.2 | -3.9 | 0 | 0 | 109.9 | Y851 K852 F878 | Q849-Y851 HydrophobicContact CB-CD1 3.55Å; Q849-Y851 HydrophobicContact CB-CE1 3.63Å; Q849-Y851 HydrophobicContact CG-CD1 4.41Å; Q849-Y851 HydrophobicContact CG-CE1 4.06Å; Q849-Y851 PolarHBondContact O-N 3.34Å; Q849-Y851 VanDerWaalsContact O-N 3.11Å; Q849-K852 PolarHBondContact O-N 2.97Å; Q849-F878 HydrophobicContact CB-CD1 4.11Å; Q849-F878 VanDerWaalsContact CD-CE1 3.44Å; Q849-F878 HydrophobicContact CG-CD1 3.66Å; Q849-F878 HydrophobicContact CG-CE1 4.08Å | ||
| 850 | L | 98 | Very high | 98 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | G | 310 helix | trans | -63.9 | -22.7 | -170.8 | -63.3 | 179.5 | 0 | 0 | 0 | 113.8 | C477 K852 I853 L876 F878 F902 | C477-L850 PolarHBondContact SG-O 2.94Å; L850-K852 PolarHBondContact O-N 3.39Å; L850-I853 HydrophobicContact CD2-CD1 3.73Å; L850-I853 WeakPolarHBondContact O-CB 3.37Å; L850-I853 PolarHBondContact O-N 3.1Å; L850-L876 WeakPolarHBondContact CD2-O 3.16Å; L850-F878 WeakPolarHBondContact CG-O 3.17Å; L850-F878 PolarHBondContact N-O 2.91Å; L850-F902 HydrophobicContact CD1-CE1 4.3Å; L850-F902 HydrophobicContact CD2-CE1 4.11Å |
| 851 | Y | 97.1 | Very high | 98.3 | Very high | 35 Ų | 35 | 16.1 Ų | 16.1 | 14% | 0.137 | 8% | 0.084 | C | C | . | . | G | 310 helix | trans | -59.9 | -18.5 | 178.2 | 80.1 | -104.7 | 0 | 0 | 0 | 113.9 | Q474 L512 Q849 I853 | Q474-Y851 PolarHBondContact NE2-O 3.01Å; L512-Y851 HydrophobicContact CD1-CD2 3.57Å; L512-Y851 HydrophobicContact CD1-CE2 3.95Å; L512-Y851 HydrophobicContact CD2-CD2 3.86Å; L512-Y851 HydrophobicContact CD2-CE2 3.89Å; L512-Y851 HydrophobicContact CG-CD2 4.36Å; L512-Y851 HydrophobicContact CG-CE2 4.49Å; Q849-Y851 HydrophobicContact CB-CD1 3.55Å; Q849-Y851 HydrophobicContact CB-CE1 3.63Å; Q849-Y851 HydrophobicContact CG-CD1 4.41Å; Q849-Y851 HydrophobicContact CG-CE1 4.06Å; Q849-Y851 PolarHBondContact O-N 3.34Å; Q849-Y851 VanDerWaalsContact O-N 3.11Å; Y851-I853 VanDerWaalsContact C-N 3.29Å |
| 852 | K | 98.5 | Very high | 98.4 | Very high | 15 Ų | 15 | 15.9 Ų | 15.9 | 7% | 0.065 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | -81.6 | -8.3 | 176.8 | -60 | -167.6 | -173.4 | 179 | 0 | 113.4 | N848 Q849 L850 T924 C927 N928 | N848-K852 HydrophobicContact CB-CB 4.48Å; N848-K852 HydrophobicContact CB-CD 3.97Å; N848-K852 PolarHBondContact OD1-NZ 2.73Å; Q849-K852 PolarHBondContact O-N 2.97Å; L850-K852 PolarHBondContact O-N 3.39Å; K852-T924 HydrophobicContact CB-CG2 4.04Å; K852-T924 WeakPolarHBondContact O-CB 3.38Å; K852-T924 WeakPolarHBondContact O-CG2 3.45Å; K852-C927 HydrophobicContact CB-CB 4.42Å; K852-C927 HydrophobicContact CD-CB 4.05Å; K852-C927 WeakPolarHBondContact CD-O 3.47Å; K852-C927 HydrophobicContact CG-CB 4.09Å; K852-N928 PolarHBondContact NZ-O 2.91Å |
| 853 | I | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | trans | -91 | 131.7 | 176.3 | -52.8 | 169.2 | 0 | 0 | 0 | 108.4 | Q474 W479 L850 Y851 T857 L858 W861 L875 I886 T924 | Q474-I853 PolarHBondContact NE2-O 3.29Å; W479-I853 HydrophobicContact CH2-CG2 3.94Å; W479-I853 HydrophobicContact CZ2-CG2 4.05Å; L850-I853 HydrophobicContact CD2-CD1 3.73Å; L850-I853 WeakPolarHBondContact O-CB 3.37Å; L850-I853 PolarHBondContact O-N 3.1Å; Y851-I853 VanDerWaalsContact C-N 3.29Å; I853-T857 HydrophobicContact CG2-CG2 4.33Å; I853-L858 HydrophobicContact CG2-CB 4.27Å; I853-W861 HydrophobicContact CD1-CH2 4.03Å; I853-W861 HydrophobicContact CD1-CZ3 3.72Å; I853-W861 HydrophobicContact CG1-CH2 3.9Å; I853-W861 HydrophobicContact CG1-CZ3 3.97Å; I853-W861 HydrophobicContact CG2-CZ3 4.3Å; I853-L875 HydrophobicContact CD1-CD1 4.45Å; I853-I886 HydrophobicContact CD1-CD1 4.48Å; I853-I886 HydrophobicContact CG2-CD1 4.24Å; I853-T924 HydrophobicContact CG1-CG2 3.93Å | ||
| 854 | D | 98.2 | Very high | 98.4 | Very high | 19 Ų | 19 | 17.5 Ų | 17.5 | 10% | 0.102 | 9% | 0.091 | C | C | . | . | trans | -118.3 | 171.1 | 171.2 | 78.6 | -33 | 0 | 0 | 0 | 110.6 | S856 T857 L858 L926 | D854-S856 PolarHBondContact O-N 3.08Å; D854-S856 WeakPolarHBondContact OD2-CB 3.41Å; D854-T857 PolarHBondContact O-N 3.5Å; D854-T857 VanDerWaalsContact O-N 3.13Å; D854-T857 WeakPolarHBondContact OD1-CB 3.31Å; D854-T857 PolarHBondContact OD1-N 3.07Å; D854-T857 PolarHBondContact OD1-OG1 2.98Å; D854-L858 PolarHBondContact O-N 3.04Å; D854-L858 VanDerWaalsContact O-N 3.09Å; D854-L926 HydrophobicContact CB-CD2 4.09Å | ||
| 855 | P | 98.5 | Very high | 98.4 | Very high | 34 Ų | 34 | 17.6 Ų | 17.6 | 22% | 0.221 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -53.5 | -40.1 | 178.3 | -27.2 | 34.2 | 0 | 0 | 0 | 113.2 | W479 Y482 L858 Q859 | W479-P855 HydrophobicContact CB-CG 4.02Å; W479-P855 HydrophobicContact CD2-CB 4.45Å; W479-P855 HydrophobicContact CD2-CG 3.64Å; W479-P855 HydrophobicContact CE3-CB 4.16Å; W479-P855 HydrophobicContact CE3-CG 3.84Å; W479-P855 HydrophobicContact CG-CG 3.73Å; Y482-P855 HydrophobicContact CD1-CG 4.02Å; Y482-P855 HydrophobicContact CD2-CG 4.02Å; Y482-P855 HydrophobicContact CE1-CG 4.29Å; Y482-P855 HydrophobicContact CE2-CG 4.28Å; Y482-P855 HydrophobicContact CG-CG 3.89Å; P855-L858 PolarHBondContact O-N 2.71Å; P855-Q859 WeakPolarHBondContact O-CB 3.42Å; P855-Q859 PolarHBondContact O-N 3.42Å |
| 856 | S | 98.1 | Very high | 98.4 | Very high | 44 Ų | 44 | 22.4 Ų | 22.4 | 31% | 0.308 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -64.3 | -42 | 180 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | D854 Q859 M860 | D854-S856 PolarHBondContact O-N 3.08Å; D854-S856 WeakPolarHBondContact OD2-CB 3.41Å; S856-Q859 PolarHBondContact O-N 3.27Å; S856-M860 WeakPolarHBondContact O-CG 3.5Å; S856-M860 PolarHBondContact O-N 3.02Å; S856-M860 VanDerWaalsContact O-N 3.1Å |
| 857 | T | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.006 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.6 | -47.9 | 178 | -60.5 | 0 | 0 | 0 | 0 | 111.1 | I853 D854 Q859 M860 W861 T924 | I853-T857 HydrophobicContact CG2-CG2 4.33Å; D854-T857 PolarHBondContact O-N 3.5Å; D854-T857 VanDerWaalsContact O-N 3.13Å; D854-T857 WeakPolarHBondContact OD1-CB 3.31Å; D854-T857 PolarHBondContact OD1-N 3.07Å; D854-T857 PolarHBondContact OD1-OG1 2.98Å; T857-Q859 VanDerWaalsContact C-N 3.27Å; T857-Q859 PolarHBondContact O-N 3.01Å; T857-M860 PolarHBondContact O-N 3.16Å; T857-W861 HydrophobicContact CG2-CD2 3.94Å; T857-W861 HydrophobicContact CG2-CE3 4.36Å; T857-W861 HydrophobicContact CG2-CH2 3.93Å; T857-W861 HydrophobicContact CG2-CZ2 3.4Å; T857-W861 VanDerWaalsContact CG2-CZ2 3.4Å; T857-W861 HydrophobicContact CG2-CZ3 4.36Å; T857-W861 PolarHBondContact O-N 3.43Å; T857-T924 HydrophobicContact CG2-CG2 4.19Å |
| 858 | L | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64 | -35.7 | 178.7 | -171.9 | 66.1 | 0 | 0 | 0 | 111.6 | W479 I853 D854 P855 W861 A862 I886 M893 I900 | W479-L858 HydrophobicContact CH2-CB 3.81Å; W479-L858 HydrophobicContact CH2-CD2 3.85Å; W479-L858 HydrophobicContact CH2-CG 4.45Å; W479-L858 HydrophobicContact CZ3-CB 3.98Å; W479-L858 HydrophobicContact CZ3-CD2 3.59Å; W479-L858 HydrophobicContact CZ3-CG 4.43Å; I853-L858 HydrophobicContact CG2-CB 4.27Å; D854-L858 PolarHBondContact O-N 3.04Å; D854-L858 VanDerWaalsContact O-N 3.09Å; P855-L858 PolarHBondContact O-N 2.71Å; L858-W861 HydrophobicContact CD1-CE3 4.32Å; L858-W861 PolarHBondContact O-N 2.96Å; L858-A862 WeakPolarHBondContact O-CB 3.38Å; L858-A862 PolarHBondContact O-N 2.95Å; L858-I886 HydrophobicContact CD1-CG2 4.18Å; L858-I886 HydrophobicContact CD2-CD1 4.27Å; L858-I886 HydrophobicContact CD2-CG2 4.39Å; L858-M893 HydrophobicContact CB-CE 4.28Å; L858-M893 HydrophobicContact CB-SD 4.42Å; L858-M893 HydrophobicContact CD2-CE 4.25Å; L858-M893 HydrophobicContact CD2-SD 4.18Å; L858-M893 HydrophobicContact CG-CE 4.31Å; L858-M893 HydrophobicContact CG-SD 3.97Å; L858-I900 HydrophobicContact CD1-CD1 4.34Å |
| 859 | Q | 98.7 | Very high | 98.3 | Very high | 72 Ų | 72 | 31.9 Ų | 31.9 | 34% | 0.336 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.5 | -46 | 175.2 | -175.1 | 61.4 | 68.7 | 0 | 0 | 112.1 | P855 S856 T857 W861 A862 N863 M893 | P855-Q859 WeakPolarHBondContact O-CB 3.42Å; P855-Q859 PolarHBondContact O-N 3.42Å; S856-Q859 PolarHBondContact O-N 3.27Å; T857-Q859 VanDerWaalsContact C-N 3.27Å; T857-Q859 PolarHBondContact O-N 3.01Å; Q859-W861 VanDerWaalsContact C-N 3.34Å; Q859-W861 PolarHBondContact O-N 3.32Å; Q859-A862 PolarHBondContact O-N 3.14Å; Q859-N863 PolarHBondContact NE2-OD1 3.04Å; Q859-N863 PolarHBondContact O-N 3.43Å; Q859-N863 PolarHBondContact O-ND2 3.19Å; Q859-N863 PolarHBondContact O-OD1 3.09Å; Q859-M893 HydrophobicContact CB-CE 4.13Å; Q859-M893 HydrophobicContact CB-SD 4.36Å |
| 860 | M | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 32.1 Ų | 32.1 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 175.5 | -68 | -170.8 | -53.7 | 0 | 0 | 111.3 | S856 T857 A862 N863 I864 P925 R973 Y976 E977 | S856-M860 WeakPolarHBondContact O-CG 3.5Å; S856-M860 PolarHBondContact O-N 3.02Å; S856-M860 VanDerWaalsContact O-N 3.1Å; T857-M860 PolarHBondContact O-N 3.16Å; M860-A862 VanDerWaalsContact C-N 3.3Å; M860-A862 PolarHBondContact O-N 2.94Å; M860-N863 WeakPolarHBondContact O-CB 3.42Å; M860-N863 PolarHBondContact O-N 3.1Å; M860-I864 WeakPolarHBondContact O-CG1 3.17Å; M860-I864 PolarHBondContact O-N 3.16Å; M860-P925 HydrophobicContact CE-CG 3.69Å; M860-R973 HydrophobicContact CG-CB 4.24Å; M860-R973 HydrophobicContact CG-CG 4.48Å; M860-R973 HydrophobicContact SD-CB 3.53Å; M860-R973 VanDerWaalsContact SD-CB 3.53Å; M860-R973 HydrophobicContact SD-CG 3.58Å; M860-R973 VanDerWaalsContact SD-CG 3.58Å; M860-Y976 HydrophobicContact CE-CD1 4.05Å; M860-Y976 HydrophobicContact CE-CE1 4.2Å; M860-Y976 HydrophobicContact CE-CG 4.42Å; M860-Y976 HydrophobicContact SD-CD1 4.08Å; M860-Y976 HydrophobicContact SD-CG 4.4Å; M860-E977 HydrophobicContact CB-CG 4.17Å; M860-E977 HydrophobicContact CG-CG 4.44Å |
| 861 | W | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -64.1 | -37 | 178.3 | -63.1 | -5.9 | 0 | 0 | 0 | 111.8 | N846 I853 T857 L858 Q859 I864 L865 L873 L875 L922 T924 Y976 | N846-W861 HydrophobicContact CB-CH2 3.71Å; N846-W861 HydrophobicContact CB-CZ2 4.16Å; N846-W861 HydrophobicContact CB-CZ3 4.45Å; I853-W861 HydrophobicContact CD1-CH2 4.03Å; I853-W861 HydrophobicContact CD1-CZ3 3.72Å; I853-W861 HydrophobicContact CG1-CH2 3.9Å; I853-W861 HydrophobicContact CG1-CZ3 3.97Å; I853-W861 HydrophobicContact CG2-CZ3 4.3Å; T857-W861 HydrophobicContact CG2-CD2 3.94Å; T857-W861 HydrophobicContact CG2-CE3 4.36Å; T857-W861 HydrophobicContact CG2-CH2 3.93Å; T857-W861 HydrophobicContact CG2-CZ2 3.4Å; T857-W861 VanDerWaalsContact CG2-CZ2 3.4Å; T857-W861 HydrophobicContact CG2-CZ3 4.36Å; T857-W861 PolarHBondContact O-N 3.43Å; L858-W861 HydrophobicContact CD1-CE3 4.32Å; L858-W861 PolarHBondContact O-N 2.96Å; Q859-W861 VanDerWaalsContact C-N 3.34Å; Q859-W861 PolarHBondContact O-N 3.32Å; W861-I864 PolarHBondContact O-N 3.49Å; W861-L865 WeakPolarHBondContact O-CB 3.31Å; W861-L865 WeakPolarHBondContact O-CG 3.41Å; W861-L865 PolarHBondContact O-N 2.93Å; W861-L873 HydrophobicContact CB-CD2 4.22Å; W861-L873 HydrophobicContact CD2-CD2 4.15Å; W861-L873 HydrophobicContact CE3-CD1 4.41Å; W861-L873 HydrophobicContact CE3-CD2 3.48Å; W861-L873 VanDerWaalsContact CE3-CD2 3.48Å; W861-L873 HydrophobicContact CZ3-CD2 4.12Å; W861-L875 HydrophobicContact CH2-CD2 4.35Å; W861-L875 HydrophobicContact CZ3-CD2 3.79Å; W861-L922 HydrophobicContact CG-CD1 4.11Å; W861-L922 HydrophobicContact CZ2-CB 4.34Å; W861-L922 WeakPolarHBondContact CZ2-O 3.47Å; W861-T924 HydrophobicContact CH2-CG2 3.88Å; W861-T924 HydrophobicContact CZ2-CG2 3.95Å; W861-Y976 PolarHBondContact NE1-OH 2.75Å |
| 862 | A | 98.7 | Very high | 98.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.008 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L858 Q859 M860 L865 K866 M893 L895 | L858-A862 WeakPolarHBondContact O-CB 3.38Å; L858-A862 PolarHBondContact O-N 2.95Å; Q859-A862 PolarHBondContact O-N 3.14Å; M860-A862 VanDerWaalsContact C-N 3.3Å; M860-A862 PolarHBondContact O-N 2.94Å; A862-L865 PolarHBondContact O-N 3.44Å; A862-K866 VanDerWaalsContact O-CG 3.3Å; A862-K866 WeakPolarHBondContact O-CG 3.43Å; A862-K866 PolarHBondContact O-N 2.91Å; A862-M893 HydrophobicContact CB-CB 4.08Å; A862-M893 HydrophobicContact CB-SD 4.06Å; A862-L895 HydrophobicContact CB-CD1 3.61Å; A862-L895 HydrophobicContact CB-CG 4.01Å |
| 863 | N | 98.7 | Very high | 98.4 | Very high | 45 Ų | 45 | 30.4 Ų | 30.4 | 24% | 0.241 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 174.7 | -64.7 | -13.9 | 0 | 0 | 0 | 111.4 | Q859 M860 K866 R867 E977 | Q859-N863 PolarHBondContact NE2-OD1 3.04Å; Q859-N863 PolarHBondContact O-N 3.43Å; Q859-N863 PolarHBondContact O-ND2 3.19Å; Q859-N863 PolarHBondContact O-OD1 3.09Å; M860-N863 WeakPolarHBondContact O-CB 3.42Å; M860-N863 PolarHBondContact O-N 3.1Å; N863-K866 PolarHBondContact O-N 3.13Å; N863-R867 VanDerWaalsContact O-CG 3.31Å; N863-R867 WeakPolarHBondContact O-CG 3.5Å; N863-R867 PolarHBondContact O-N 3.43Å; N863-E977 HydrophobicContact CB-CG 4.47Å; N863-E977 VanDerWaalsContact CB-OE2 3.31Å; N863-E977 WeakPolarHBondContact CB-OE2 3.42Å; N863-E977 PolarHBondContact ND2-OE1 2.68Å |
| 864 | I | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -58.8 | -51.1 | 175.6 | -67.2 | 159.9 | 0 | 0 | 0 | 110.7 | Y844 M860 W861 K866 R867 V868 L922 Y976 E977 A980 V981 | Y844-I864 HydrophobicContact CD2-CG2 4.41Å; Y844-I864 HydrophobicContact CE1-CG2 4.19Å; Y844-I864 HydrophobicContact CE2-CG2 3.8Å; M860-I864 WeakPolarHBondContact O-CG1 3.17Å; M860-I864 PolarHBondContact O-N 3.16Å; W861-I864 PolarHBondContact O-N 3.49Å; I864-K866 VanDerWaalsContact C-N 3.28Å; I864-K866 PolarHBondContact O-N 2.69Å; I864-R867 CarbonylContact O-C 3.49Å; I864-R867 PolarHBondContact O-N 2.88Å; I864-R867 VanDerWaalsContact O-N 3.09Å; I864-V868 PolarHBondContact O-N 3.39Å; I864-L922 HydrophobicContact CD1-CD1 4Å; I864-L922 HydrophobicContact CD1-CD2 4.28Å; I864-Y976 HydrophobicContact CD1-CD1 4.06Å; I864-Y976 HydrophobicContact CD1-CE1 3.78Å; I864-E977 HydrophobicContact CD1-CG 4.37Å; I864-E977 HydrophobicContact CG1-CB 4.05Å; I864-E977 HydrophobicContact CG1-CG 4.05Å; I864-A980 HydrophobicContact CD1-CB 3.53Å; I864-A980 HydrophobicContact CG1-CB 3.89Å; I864-A980 HydrophobicContact CG2-CB 3.99Å; I864-V981 HydrophobicContact CB-CG2 4.36Å; I864-V981 HydrophobicContact CG1-CG2 4.31Å; I864-V981 HydrophobicContact CG2-CG2 4.17Å |
| 865 | L | 98.8 | Very high | 98.5 | Very high | 2 Ų | 2 | 29.5 Ų | 29.5 | 1% | 0.01 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -63.2 | -31.7 | -179.4 | -72.6 | 176.8 | 0 | 0 | 0 | 112.7 | Y844 W861 A862 V868 S871 L873 L895 R899 | Y844-L865 HydrophobicContact CD2-CD2 4.07Å; W861-L865 WeakPolarHBondContact O-CB 3.31Å; W861-L865 WeakPolarHBondContact O-CG 3.41Å; W861-L865 PolarHBondContact O-N 2.93Å; A862-L865 PolarHBondContact O-N 3.44Å; L865-V868 CarbonylContact O-C 3.55Å; L865-S871 VanDerWaalsContact CD2-OG 3.3Å; L865-S871 WeakPolarHBondContact CD2-OG 3.18Å; L865-L873 HydrophobicContact CD1-CB 3.82Å; L865-L873 HydrophobicContact CD2-CB 4.28Å; L865-L873 HydrophobicContact CG-CB 4.48Å; L865-L895 HydrophobicContact CB-CD1 4.44Å; L865-L895 HydrophobicContact CB-CD2 3.72Å; L865-L895 HydrophobicContact CD1-CD1 3.73Å; L865-L895 HydrophobicContact CD1-CD2 4.32Å; L865-R899 HydrophobicContact CD1-CB 4.43Å; L865-R899 PolarHBondContact O-NH1 3.25Å; L865-R899 PolarHBondContact O-NH2 3.07Å |
| 866 | K | 98.5 | Very high | 98.4 | Very high | 101 Ų | 101 | 28.4 Ų | 28.4 | 44% | 0.439 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -69.9 | -39.1 | 172.7 | -73.5 | 171.5 | -178 | 178.3 | 0 | 112.3 | A862 N863 I864 V868 M893 L895 | A862-K866 VanDerWaalsContact O-CG 3.3Å; A862-K866 WeakPolarHBondContact O-CG 3.43Å; A862-K866 PolarHBondContact O-N 2.91Å; N863-K866 PolarHBondContact O-N 3.13Å; I864-K866 VanDerWaalsContact C-N 3.28Å; I864-K866 PolarHBondContact O-N 2.69Å; K866-V868 VanDerWaalsContact C-N 3.32Å; K866-M893 WeakPolarHBondContact CE-O 3.43Å; K866-M893 PolarHBondContact NZ-O 3.29Å; K866-L895 HydrophobicContact CG-CD2 4.1Å |
| 867 | R | 98.7 | Very high | 98.4 | Very high | 100 Ų | 100 | 30.2 Ų | 30.2 | 38% | 0.377 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -76.1 | -19.3 | 179.6 | -69.4 | 169.9 | 64 | -170.8 | -1.6 | 113.1 | N863 I864 P869 E977 D978 V981 | N863-R867 VanDerWaalsContact O-CG 3.31Å; N863-R867 WeakPolarHBondContact O-CG 3.5Å; N863-R867 PolarHBondContact O-N 3.43Å; I864-R867 CarbonylContact O-C 3.49Å; I864-R867 PolarHBondContact O-N 2.88Å; I864-R867 VanDerWaalsContact O-N 3.09Å; R867-P869 WeakPolarHBondContact O-CD 3.12Å; R867-E977 IonicContact NH1-OE2 3.73Å; R867-D978 IonicContact CZ-OD1 2.83Å; R867-D978 VanDerWaalsContact CZ-OD1 3.24Å; R867-D978 IonicContact NH1-OD1 3.32Å; R867-D978 PolarHBondContact NH1-OD1 3.23Å; R867-D978 IonicContact NH2-OD1 3.83Å; R867-D978 PolarHBondContact NH2-OD1 3.32Å; R867-V981 HydrophobicContact CB-CG1 4.08Å; R867-V981 HydrophobicContact CB-CG2 3.62Å; R867-V981 HydrophobicContact CG-CG2 4.45Å |
| 868 | V | 98.5 | Very high | 98.2 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 4% | 0.036 | 17% | 0.165 | C | C | . | . | S | Bend | trans | -118.6 | 83.1 | 172.2 | -168.6 | 0 | 0 | 0 | 0 | 109.4 | I864 L865 K866 N870 S871 R899 V981 G984 T985 | I864-V868 PolarHBondContact O-N 3.39Å; L865-V868 CarbonylContact O-C 3.55Å; K866-V868 VanDerWaalsContact C-N 3.32Å; V868-N870 VanDerWaalsContact C-N 3.31Å; V868-N870 PolarHBondContact O-N 3Å; V868-S871 WeakPolarHBondContact O-CB 3.42Å; V868-S871 PolarHBondContact O-N 3.44Å; V868-S871 PolarHBondContact O-OG 3.02Å; V868-R899 PolarHBondContact O-NH2 3.22Å; V868-R899 VanDerWaalsContact O-NH2 3.09Å; V868-V981 HydrophobicContact CG2-CB 4.25Å; V868-V981 HydrophobicContact CG2-CG1 4.09Å; V868-V981 HydrophobicContact CG2-CG2 4.06Å; V868-G984 WeakPolarHBondContact CG1-O 3.43Å; V868-T985 HydrophobicContact CG1-CG2 4.32Å; V868-T985 HydrophobicContact CG2-CG2 3.96Å |
| 869 | P | 96.5 | Very high | 98 | Very high | 101 Ų | 101 | 35.2 Ų | 35.2 | 66% | 0.656 | 17% | 0.171 | S | C | * | . | S | Bend | trans | -58.9 | -38.7 | -170.1 | -27 | 35.3 | 0 | 0 | 0 | 114.2 | R867 S871 R899 | R867-P869 WeakPolarHBondContact O-CD 3.12Å; P869-S871 VanDerWaalsContact C-N 3.3Å; P869-S871 PolarHBondContact O-N 2.97Å; P869-R899 PolarHBondContact O-NH2 3.38Å |
| 870 | N | 96.7 | Very high | 97.8 | Very high | 92 Ų | 92 | 34.5 Ų | 34.5 | 49% | 0.492 | 18% | 0.178 | S | C | . | . | S | Bend | trans | -90.2 | 61.9 | 177.7 | -168.1 | 28.1 | 0 | 0 | 0 | 111.6 | D840 A841 I842 V868 | D840-N870 PolarHBondContact O-ND2 3.08Å; A841-N870 WeakPolarHBondContact CB-O 3.44Å; A841-N870 VanDerWaalsContact CB-OD1 3.28Å; A841-N870 WeakPolarHBondContact CB-OD1 3.49Å; I842-N870 PolarHBondContact N-O 2.87Å; V868-N870 VanDerWaalsContact C-N 3.31Å; V868-N870 PolarHBondContact O-N 3Å |
| 871 | S | 98.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 160.6 | 177.9 | 67.8 | 0 | 0 | 0 | 0 | 112.5 | I842 L865 V868 P869 R899 | I842-S871 CarbonylContact O-C 3.51Å; I842-S871 WeakPolarHBondContact O-CA 3.35Å; I842-S871 VanDerWaalsContact O-CB 3.32Å; I842-S871 WeakPolarHBondContact O-CB 3.47Å; L865-S871 VanDerWaalsContact CD2-OG 3.3Å; L865-S871 WeakPolarHBondContact CD2-OG 3.18Å; V868-S871 WeakPolarHBondContact O-CB 3.42Å; V868-S871 PolarHBondContact O-N 3.44Å; V868-S871 PolarHBondContact O-OG 3.02Å; P869-S871 VanDerWaalsContact C-N 3.3Å; P869-S871 PolarHBondContact O-N 2.97Å; S871-R899 PolarHBondContact O-NE 3.16Å; S871-R899 PolarHBondContact O-NH2 2.93Å; S871-R899 PolarHBondContact OG-NH2 3.43Å |
| 872 | V | 98.8 | Very high | 97.5 | Very high | 12 Ų | 12 | 37.4 Ų | 37.4 | 7% | 0.073 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 156.8 | 172 | -64.3 | 0 | 0 | 0 | 0 | 110 | P838 I842 V843 Y844 R899 I901 | P838-V872 HydrophobicContact CG-CB 4.49Å; P838-V872 HydrophobicContact CG-CG1 3.93Å; P838-V872 HydrophobicContact CG-CG2 3.69Å; I842-V872 PolarHBondContact O-N 3.04Å; V843-V872 HydrophobicContact CB-CG2 4.38Å; V843-V872 HydrophobicContact CG1-CG2 4.45Å; V843-V872 HydrophobicContact CG2-CG2 3.81Å; Y844-V872 PolarHBondContact N-O 3.34Å; V872-R899 CarbonylContact C-O 3.54Å; V872-R899 WeakPolarHBondContact CA-O 3.4Å; V872-I901 HydrophobicContact CB-CD1 4.14Å; V872-I901 HydrophobicContact CG1-CD1 4.14Å; V872-I901 HydrophobicContact CG2-CD1 4.04Å |
| 873 | L | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.6 | 169 | 175.8 | 67.7 | 0 | 0 | 0 | 109.5 | Y844 W861 L865 L875 R899 I900 I901 L922 | Y844-L873 CarbonylContact O-C 3.59Å; Y844-L873 WeakPolarHBondContact O-CA 3.27Å; W861-L873 HydrophobicContact CB-CD2 4.22Å; W861-L873 HydrophobicContact CD2-CD2 4.15Å; W861-L873 HydrophobicContact CE3-CD1 4.41Å; W861-L873 HydrophobicContact CE3-CD2 3.48Å; W861-L873 VanDerWaalsContact CE3-CD2 3.48Å; W861-L873 HydrophobicContact CZ3-CD2 4.12Å; L865-L873 HydrophobicContact CD1-CB 3.82Å; L865-L873 HydrophobicContact CD2-CB 4.28Å; L865-L873 HydrophobicContact CG-CB 4.48Å; L873-L875 HydrophobicContact CD1-CD2 4Å; L873-L875 HydrophobicContact CD2-CD1 4.08Å; L873-L875 HydrophobicContact CD2-CD2 3.95Å; L873-L875 HydrophobicContact CD2-CG 4.08Å; L873-L875 HydrophobicContact CG-CD1 4.48Å; L873-L875 HydrophobicContact CG-CD2 3.8Å; L873-L875 HydrophobicContact CG-CG 3.95Å; L873-R899 PolarHBondContact N-O 3.25Å; L873-I900 HydrophobicContact CB-CG1 4.42Å; L873-I900 HydrophobicContact CD2-CD1 4.45Å; L873-I900 HydrophobicContact CD2-CG1 4.45Å; L873-I900 CarbonylContact O-C 3.52Å; L873-I900 WeakPolarHBondContact O-CA 3.48Å; L873-I901 PolarHBondContact O-N 3.36Å; L873-L922 HydrophobicContact CD1-CD1 4.33Å |
| 874 | W | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.5 | -177.9 | -172.7 | 26.2 | 0 | 0 | 0 | 110.8 | Y835 L837 V843 Y844 C845 N846 F847 I901 S903 R914 L917 | Y835-W874 HydrophobicContact CD1-CH2 4.31Å; Y835-W874 AromaticContact CD1-CZ2 3.74Å; Y835-W874 HydrophobicContact CD1-CZ2 3.74Å; Y835-W874 AromaticContact CD2-CH2 3.97Å; Y835-W874 HydrophobicContact CD2-CH2 3.97Å; Y835-W874 HydrophobicContact CD2-CZ2 4.13Å; Y835-W874 HydrophobicContact CE1-CZ2 4.46Å; Y835-W874 HydrophobicContact CE2-CH2 4.46Å; Y835-W874 AromaticContact CG-CH2 3.88Å; Y835-W874 HydrophobicContact CG-CH2 3.88Å; Y835-W874 AromaticContact CG-CZ2 3.54Å; Y835-W874 HydrophobicContact CG-CZ2 3.54Å; L837-W874 HydrophobicContact CD1-CD2 3.86Å; L837-W874 HydrophobicContact CD1-CE3 3.61Å; L837-W874 HydrophobicContact CD1-CH2 3.85Å; L837-W874 HydrophobicContact CD1-CZ2 4.1Å; L837-W874 HydrophobicContact CD1-CZ3 3.6Å; L837-W874 HydrophobicContact CD2-CB 4.11Å; L837-W874 HydrophobicContact CD2-CD2 3.82Å; L837-W874 HydrophobicContact CD2-CE3 4.3Å; L837-W874 HydrophobicContact CD2-CG 3.74Å; L837-W874 HydrophobicContact CG-CD2 4.37Å; V843-W874 HydrophobicContact CG1-CB 3.94Å; V843-W874 HydrophobicContact CG1-CE3 4.13Å; Y844-W874 WeakPolarHBondContact O-CB 3.24Å; Y844-W874 PolarHBondContact O-N 3.36Å; C845-W874 CarbonylContact C-O 3.44Å; C845-W874 VanDerWaalsContact CA-O 3.27Å; C845-W874 WeakPolarHBondContact CA-O 3.4Å; C845-W874 HydrophobicContact CB-CB 4.22Å; C845-W874 HydrophobicContact CB-CE3 4.36Å; N846-W874 PolarHBondContact N-O 2.95Å; F847-W874 AromaticContact CE1-CD2 3.71Å; F847-W874 HydrophobicContact CE1-CD2 3.71Å; F847-W874 AromaticContact CE1-CE3 3.68Å; F847-W874 HydrophobicContact CE1-CE3 3.68Å; F847-W874 HydrophobicContact CE1-CG 4.2Å; F847-W874 HydrophobicContact CE1-CH2 4.48Å; F847-W874 HydrophobicContact CE1-CZ2 4.49Å; F847-W874 HydrophobicContact CE1-CZ3 4.08Å; F847-W874 HydrophobicContact CZ-CD2 4.04Å; F847-W874 AromaticContact CZ-CE3 3.5Å; F847-W874 HydrophobicContact CZ-CE3 3.5Å; F847-W874 HydrophobicContact CZ-CH2 4.13Å; F847-W874 AromaticContact CZ-CZ3 3.56Å; F847-W874 HydrophobicContact CZ-CZ3 3.56Å; W874-I901 CarbonylContact C-O 3.59Å; W874-I901 WeakPolarHBondContact CA-O 3.31Å; W874-S903 PolarHBondContact NE1-OG 3.03Å; W874-R914 HydrophobicContact CH2-CB 4Å; W874-R914 HydrophobicContact CH2-CG 3.78Å; W874-R914 HydrophobicContact CZ2-CG 4.48Å; W874-R914 HydrophobicContact CZ3-CG 4.45Å; W874-L917 HydrophobicContact CH2-CD1 4.34Å; W874-L917 HydrophobicContact CZ3-CB 4.26Å |
| 875 | L | 98.7 | Very high | 97.4 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 151.6 | -174.7 | -61.7 | -176.7 | 0 | 0 | 0 | 112.6 | N846 I853 W861 L873 I886 I900 I901 F902 S903 | N846-L875 HydrophobicContact CB-CD2 3.87Å; N846-L875 WeakPolarHBondContact O-CA 3.45Å; I853-L875 HydrophobicContact CD1-CD1 4.45Å; W861-L875 HydrophobicContact CH2-CD2 4.35Å; W861-L875 HydrophobicContact CZ3-CD2 3.79Å; L873-L875 HydrophobicContact CD1-CD2 4Å; L873-L875 HydrophobicContact CD2-CD1 4.08Å; L873-L875 HydrophobicContact CD2-CD2 3.95Å; L873-L875 HydrophobicContact CD2-CG 4.08Å; L873-L875 HydrophobicContact CG-CD1 4.48Å; L873-L875 HydrophobicContact CG-CD2 3.8Å; L873-L875 HydrophobicContact CG-CG 3.95Å; L875-I886 HydrophobicContact CD1-CG2 4.05Å; L875-I900 HydrophobicContact CD1-CG2 3.74Å; L875-I900 HydrophobicContact CG-CG2 4.09Å; L875-I901 PolarHBondContact N-O 3.48Å; L875-F902 HydrophobicContact CB-CD1 3.85Å; L875-F902 HydrophobicContact CB-CE1 3.64Å; L875-F902 HydrophobicContact CB-CG 4.46Å; L875-F902 HydrophobicContact CB-CZ 4.08Å; L875-F902 HydrophobicContact CD1-CE1 4.07Å; L875-F902 HydrophobicContact CD1-CE2 4.42Å; L875-F902 HydrophobicContact CD1-CZ 3.76Å; L875-F902 HydrophobicContact CG-CE1 4.5Å; L875-F902 WeakPolarHBondContact O-CA 3.24Å; L875-S903 PolarHBondContact O-N 3.02Å; L875-S903 VanDerWaalsContact O-N 3.08Å |
| 876 | L | 97.9 | Very high | 97.4 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.052 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 126.3 | 168.6 | -176.4 | 70.4 | 0 | 0 | 0 | 110.4 | N846 F847 L850 F878 V905 | N846-L876 PolarHBondContact O-N 3.5Å; F847-L876 WeakPolarHBondContact O-CD2 3.43Å; L850-L876 WeakPolarHBondContact CD2-O 3.16Å; L876-F878 VanDerWaalsContact C-N 3.28Å; L876-F878 HydrophobicContact CD2-CB 3.87Å; L876-F878 HydrophobicContact CG-CB 3.94Å; L876-F878 PolarHBondContact O-N 3.04Å; L876-V905 HydrophobicContact CD1-CB 4.41Å; L876-V905 HydrophobicContact CD1-CG2 4.02Å; L876-V905 HydrophobicContact CD2-CG2 4.45Å; L876-V905 HydrophobicContact CG-CG2 4.36Å |
| 877 | R | 96.3 | Very high | 97.4 | Very high | 82 Ų | 82 | 39.4 Ų | 39.4 | 31% | 0.309 | 21% | 0.214 | S | C | . | . | trans | -76.5 | 75.8 | 172.1 | -174 | -175.2 | -70.9 | 126.7 | 7.2 | 110.3 | A880 E883 F902 S903 | R877-A880 HydrophobicContact CG-CB 3.76Å; R877-E883 IonicContact CZ-OE2 2.87Å; R877-E883 IonicContact NE-OE2 3.11Å; R877-E883 PolarHBondContact NE-OE2 3.43Å; R877-E883 IonicContact NH2-OE1 3.64Å; R877-E883 IonicContact NH2-OE2 2.94Å; R877-E883 PolarHBondContact NH2-OE2 3.15Å; R877-F902 HydrophobicContact CB-CB 4.28Å; R877-F902 HydrophobicContact CB-CD1 4.18Å; R877-F902 PolarHBondContact NH2-O 3.24Å; R877-S903 WeakPolarHBondContact CB-O 3.37Å; R877-S903 PolarHBondContact N-O 2.91Å | ||
| 878 | F | 94.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 39.1 Ų | 39.1 | 37% | 0.373 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -149.9 | 109.9 | 177.6 | -166.2 | -113.5 | 0 | 0 | 0 | 114.7 | Q849 L850 L876 V905 | Q849-F878 HydrophobicContact CB-CD1 4.11Å; Q849-F878 VanDerWaalsContact CD-CE1 3.44Å; Q849-F878 HydrophobicContact CG-CD1 3.66Å; Q849-F878 HydrophobicContact CG-CE1 4.08Å; L850-F878 WeakPolarHBondContact CG-O 3.17Å; L850-F878 PolarHBondContact N-O 2.91Å; L876-F878 VanDerWaalsContact C-N 3.28Å; L876-F878 HydrophobicContact CD2-CB 3.87Å; L876-F878 HydrophobicContact CG-CB 3.94Å; L876-F878 PolarHBondContact O-N 3.04Å; F878-V905 HydrophobicContact CB-CG2 3.77Å; F878-V905 HydrophobicContact CD2-CG2 3.77Å; F878-V905 HydrophobicContact CG-CG2 3.87Å |
| 879 | P | 94.5 | Very high | 97.3 | Very high | 23 Ų | 23 | 40.9 Ų | 40.9 | 15% | 0.149 | 22% | 0.223 | C | C | . | . | S | Bend | cis | -76.2 | 157.4 | -5.2 | 34.4 | -36.6 | 0 | 0 | 0 | 112 | I475 V881 G882 | I475-P879 HydrophobicContact CG2-CG 3.63Å; I475-P879 WeakPolarHBondContact O-CD 3.36Å; P879-V881 HydrophobicContact CB-CG2 4Å; P879-V881 HydrophobicContact CG-CG2 3.9Å; P879-V881 PolarHBondContact O-N 2.98Å; P879-G882 PolarHBondContact O-N 3.16Å; P879-G882 VanDerWaalsContact O-N 3.1Å |
| 880 | A | 95 | Very high | 97.4 | Very high | 57 Ų | 57 | 36.2 Ų | 36.2 | 47% | 0.471 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -59.8 | -30.6 | -179 | 0 | 0 | 0 | 0 | 0 | 113.8 | R877 G882 E883 | R877-A880 HydrophobicContact CG-CB 3.76Å; A880-G882 PolarHBondContact O-N 3.48Å; A880-E883 PolarHBondContact O-N 3.38Å |
| 881 | V | 95.5 | Very high | 97.5 | Very high | 64 Ų | 64 | 35.4 Ų | 35.4 | 39% | 0.388 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -66.1 | -14.6 | 178.6 | -63.8 | 0 | 0 | 0 | 0 | 113.8 | P446 V476 P879 | P446-V881 HydrophobicContact CG-CB 4.38Å; P446-V881 HydrophobicContact CG-CG1 3.84Å; P446-V881 HydrophobicContact CG-CG2 4.42Å; V476-V881 HydrophobicContact CB-CG2 4.33Å; V476-V881 HydrophobicContact CG1-CG2 3.57Å; P879-V881 HydrophobicContact CB-CG2 4Å; P879-V881 HydrophobicContact CG-CG2 3.9Å; P879-V881 PolarHBondContact O-N 2.98Å |
| 882 | G | 97 | Very high | 97.4 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -84.1 | -18.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | V476 P879 A880 N885 I886 | V476-G882 VanDerWaalsContact O-CA 3.31Å; V476-G882 WeakPolarHBondContact O-CA 3.1Å; P879-G882 PolarHBondContact O-N 3.16Å; P879-G882 VanDerWaalsContact O-N 3.1Å; A880-G882 PolarHBondContact O-N 3.48Å; G882-N885 PolarHBondContact O-N 3.29Å; G882-I886 PolarHBondContact O-N 3.44Å; G882-I886 VanDerWaalsContact O-N 3.12Å |
| 883 | E | 97.4 | Very high | 97.4 | Very high | 42 Ų | 42 | 41.5 Ų | 41.5 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.9 | -47.6 | -178.4 | 165.6 | 171.2 | -175.6 | 0 | 0 | 113.3 | R877 A880 N885 I886 Q887 F902 | R877-E883 IonicContact CZ-OE2 2.87Å; R877-E883 IonicContact NE-OE2 3.11Å; R877-E883 PolarHBondContact NE-OE2 3.43Å; R877-E883 IonicContact NH2-OE1 3.64Å; R877-E883 IonicContact NH2-OE2 2.94Å; R877-E883 PolarHBondContact NH2-OE2 3.15Å; A880-E883 PolarHBondContact O-N 3.38Å; E883-N885 PolarHBondContact O-N 2.96Å; E883-I886 PolarHBondContact O-N 3.49Å; E883-Q887 HydrophobicContact CG-CG 4.29Å; E883-Q887 VanDerWaalsContact O-CG 3.31Å; E883-Q887 WeakPolarHBondContact O-CG 3.36Å; E883-Q887 PolarHBondContact O-N 3.33Å; E883-F902 HydrophobicContact CB-CD1 4.21Å; E883-F902 HydrophobicContact CB-CD2 4.35Å; E883-F902 HydrophobicContact CB-CE1 4.07Å; E883-F902 HydrophobicContact CB-CE2 4.23Å; E883-F902 HydrophobicContact CB-CG 4.33Å; E883-F902 HydrophobicContact CB-CZ 4.08Å; E883-F902 HydrophobicContact CG-CD1 4.3Å; E883-F902 HydrophobicContact CG-CD2 3.6Å; E883-F902 HydrophobicContact CG-CE1 4.36Å; E883-F902 HydrophobicContact CG-CE2 3.7Å; E883-F902 HydrophobicContact CG-CG 3.91Å; E883-F902 HydrophobicContact CG-CZ 4.07Å |
| 884 | P | 97.5 | Very high | 97.3 | Very high | 83 Ų | 83 | 44 Ų | 44 | 54% | 0.539 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.8 | -36.8 | 178.3 | -24.5 | 34.7 | 0 | 0 | 0 | 112.9 | Q887 Q888 | P884-Q887 PolarHBondContact O-N 3.38Å; P884-Q888 WeakPolarHBondContact O-CB 3.37Å; P884-Q888 PolarHBondContact O-N 3.13Å |
| 885 | N | 98.2 | Very high | 97.2 | Very high | 47 Ų | 47 | 44.3 Ų | 44.3 | 25% | 0.251 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.4 | -49.8 | 179.1 | -69.9 | -21.7 | 0 | 0 | 0 | 111 | V476 C477 G882 E883 Q887 Q888 Y889 | V476-N885 PolarHBondContact O-ND2 3.28Å; C477-N885 HydrophobicContact CB-CB 4.38Å; C477-N885 WeakPolarHBondContact O-CB 3.35Å; G882-N885 PolarHBondContact O-N 3.29Å; E883-N885 PolarHBondContact O-N 2.96Å; N885-Q887 VanDerWaalsContact C-N 3.3Å; N885-Q887 PolarHBondContact O-N 2.92Å; N885-Q888 PolarHBondContact O-N 3Å; N885-Q888 VanDerWaalsContact O-N 3.16Å; N885-Y889 HydrophobicContact CB-CD2 4.48Å; N885-Y889 HydrophobicContact CB-CE2 4.3Å; N885-Y889 WeakPolarHBondContact O-CD2 3.37Å; N885-Y889 PolarHBondContact O-N 3.07Å |
| 886 | I | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.1 | -45 | 176 | -68.6 | -66.1 | 0 | 0 | 0 | 111.1 | C477 W479 I853 L858 L875 G882 E883 Q888 Y889 A890 I900 F902 | C477-I886 HydrophobicContact CB-CD1 3.74Å; C477-I886 HydrophobicContact CB-CG1 3.99Å; W479-I886 HydrophobicContact CH2-CD1 3.62Å; W479-I886 HydrophobicContact CZ2-CD1 3.98Å; W479-I886 HydrophobicContact CZ3-CD1 4.44Å; I853-I886 HydrophobicContact CD1-CD1 4.48Å; I853-I886 HydrophobicContact CG2-CD1 4.24Å; L858-I886 HydrophobicContact CD1-CG2 4.18Å; L858-I886 HydrophobicContact CD2-CD1 4.27Å; L858-I886 HydrophobicContact CD2-CG2 4.39Å; L875-I886 HydrophobicContact CD1-CG2 4.05Å; G882-I886 PolarHBondContact O-N 3.44Å; G882-I886 VanDerWaalsContact O-N 3.12Å; E883-I886 PolarHBondContact O-N 3.49Å; I886-Q888 PolarHBondContact O-N 2.94Å; I886-Y889 PolarHBondContact O-N 3.45Å; I886-A890 VanDerWaalsContact O-CB 3.3Å; I886-A890 WeakPolarHBondContact O-CB 3.34Å; I886-A890 PolarHBondContact O-N 2.94Å; I886-I900 HydrophobicContact CG2-CD1 4.15Å; I886-F902 HydrophobicContact CB-CZ 4.07Å; I886-F902 HydrophobicContact CG2-CE2 4.41Å; I886-F902 HydrophobicContact CG2-CZ 3.9Å |
| 887 | Q | 98.1 | Very high | 96.7 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 9% | 0.089 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 177.6 | -70.5 | -72.2 | 4.8 | 0 | 0 | 111.6 | E883 P884 N885 A890 Q891 Q897 I900 F902 | E883-Q887 HydrophobicContact CG-CG 4.29Å; E883-Q887 VanDerWaalsContact O-CG 3.31Å; E883-Q887 WeakPolarHBondContact O-CG 3.36Å; E883-Q887 PolarHBondContact O-N 3.33Å; P884-Q887 PolarHBondContact O-N 3.38Å; N885-Q887 VanDerWaalsContact C-N 3.3Å; N885-Q887 PolarHBondContact O-N 2.92Å; Q887-A890 PolarHBondContact O-N 3.31Å; Q887-Q891 WeakPolarHBondContact O-CB 3.49Å; Q887-Q891 VanDerWaalsContact O-CG 3.28Å; Q887-Q891 WeakPolarHBondContact O-CG 3.42Å; Q887-Q891 PolarHBondContact O-N 3.24Å; Q887-Q897 PolarHBondContact OE1-O 3.27Å; Q887-I900 PolarHBondContact NE2-O 3.39Å; Q887-F902 HydrophobicContact CG-CE2 4.23Å |
| 888 | Q | 98 | Very high | 96.6 | Very high | 94 Ų | 94 | 55.3 Ų | 55.3 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 178.1 | -173.3 | 62.9 | 60.7 | 0 | 0 | 112.1 | P884 N885 I886 A890 Q891 N892 | P884-Q888 WeakPolarHBondContact O-CB 3.37Å; P884-Q888 PolarHBondContact O-N 3.13Å; N885-Q888 PolarHBondContact O-N 3Å; N885-Q888 VanDerWaalsContact O-N 3.16Å; I886-Q888 PolarHBondContact O-N 2.94Å; Q888-A890 PolarHBondContact O-N 2.99Å; Q888-Q891 PolarHBondContact O-N 3.25Å; Q888-N892 PolarHBondContact NE2-OD1 2.98Å; Q888-N892 PolarHBondContact O-N 3.02Å; Q888-N892 PolarHBondContact O-OD1 3.14Å |
| 889 | Y | 98.4 | Very high | 96.8 | Very high | 42 Ų | 42 | 52.7 Ų | 52.7 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -40 | 177.1 | -72.5 | -65.8 | 0 | 0 | 0 | 111.8 | C477 W479 T480 N885 I886 Q891 N892 M893 | C477-Y889 VanDerWaalsContact O-CE2 3.26Å; C477-Y889 WeakPolarHBondContact O-CE2 3.38Å; W479-Y889 VanDerWaalsContact CA-OH 3.29Å; W479-Y889 WeakPolarHBondContact CA-OH 3.34Å; W479-Y889 HydrophobicContact CB-CE1 4.08Å; W479-Y889 HydrophobicContact CB-CE2 4Å; W479-Y889 HydrophobicContact CD2-CD2 4.07Å; W479-Y889 HydrophobicContact CD2-CE2 4.03Å; W479-Y889 AromaticContact CE3-CD1 3.96Å; W479-Y889 HydrophobicContact CE3-CD1 3.96Å; W479-Y889 AromaticContact CE3-CD2 3.4Å; W479-Y889 HydrophobicContact CE3-CD2 3.4Å; W479-Y889 HydrophobicContact CE3-CE1 4.26Å; W479-Y889 AromaticContact CE3-CE2 3.78Å; W479-Y889 HydrophobicContact CE3-CE2 3.78Å; W479-Y889 AromaticContact CE3-CG 3.55Å; W479-Y889 HydrophobicContact CE3-CG 3.55Å; W479-Y889 HydrophobicContact CG-CE2 4.16Å; W479-Y889 AromaticContact CZ3-CD2 3.83Å; W479-Y889 HydrophobicContact CZ3-CD2 3.83Å; W479-Y889 AromaticContact CZ3-CG 3.87Å; W479-Y889 HydrophobicContact CZ3-CG 3.87Å; W479-Y889 PolarHBondContact N-OH 3.14Å; T480-Y889 PolarHBondContact N-OH 3.09Å; N885-Y889 HydrophobicContact CB-CD2 4.48Å; N885-Y889 HydrophobicContact CB-CE2 4.3Å; N885-Y889 WeakPolarHBondContact O-CD2 3.37Å; N885-Y889 PolarHBondContact O-N 3.07Å; I886-Y889 PolarHBondContact O-N 3.45Å; Y889-Q891 PolarHBondContact O-N 2.95Å; Y889-N892 PolarHBondContact O-N 3.46Å; Y889-M893 VanDerWaalsContact O-CG 3.23Å; Y889-M893 WeakPolarHBondContact O-CG 3.3Å; Y889-M893 PolarHBondContact O-N 3.44Å |
| 890 | A | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 3% | 0.025 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.7 | -41.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I886 Q887 Q888 M893 G894 L895 I900 | I886-A890 VanDerWaalsContact O-CB 3.3Å; I886-A890 WeakPolarHBondContact O-CB 3.34Å; I886-A890 PolarHBondContact O-N 2.94Å; Q887-A890 PolarHBondContact O-N 3.31Å; Q888-A890 PolarHBondContact O-N 2.99Å; A890-M893 CarbonylContact O-C 3.21Å; A890-M893 WeakPolarHBondContact O-CA 3.29Å; A890-M893 WeakPolarHBondContact O-CB 3.44Å; A890-M893 PolarHBondContact O-N 2.87Å; A890-G894 PolarHBondContact O-N 3.36Å; A890-L895 HydrophobicContact CB-CB 4.31Å; A890-L895 HydrophobicContact CB-CD1 4.1Å; A890-L895 WeakPolarHBondContact O-CB 3.37Å; A890-L895 PolarHBondContact O-N 3.39Å; A890-I900 HydrophobicContact CB-CD1 3.48Å; A890-I900 VanDerWaalsContact CB-CD1 3.48Å |
| 891 | Q | 97.9 | Very high | 97.1 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 35% | 0.35 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 173.9 | -74.3 | 174 | 9.1 | 0 | 0 | 112 | Q887 Q888 Y889 M893 G894 L895 | Q887-Q891 WeakPolarHBondContact O-CB 3.49Å; Q887-Q891 VanDerWaalsContact O-CG 3.28Å; Q887-Q891 WeakPolarHBondContact O-CG 3.42Å; Q887-Q891 PolarHBondContact O-N 3.24Å; Q888-Q891 PolarHBondContact O-N 3.25Å; Y889-Q891 PolarHBondContact O-N 2.95Å; Q891-M893 PolarHBondContact O-N 3.2Å; Q891-G894 WeakPolarHBondContact O-CA 3.39Å; Q891-G894 PolarHBondContact O-N 3.08Å; Q891-L895 WeakPolarHBondContact CA-O 3.41Å |
| 892 | N | 97.6 | Very high | 97.3 | Very high | 111 Ų | 111 | 48.3 Ų | 48.3 | 59% | 0.594 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -63.1 | -31.5 | 175.5 | -64.5 | -7.1 | 0 | 0 | 0 | 111.7 | Q888 Y889 G894 | Q888-N892 PolarHBondContact NE2-OD1 2.98Å; Q888-N892 PolarHBondContact O-N 3.02Å; Q888-N892 PolarHBondContact O-OD1 3.14Å; Y889-N892 PolarHBondContact O-N 3.46Å; N892-G894 PolarHBondContact O-N 3.42Å |
| 893 | M | 98 | Very high | 97.3 | Very high | 33 Ų | 33 | 48.6 Ų | 48.6 | 16% | 0.163 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1.4 | 171.2 | -65.7 | 169.2 | -175.9 | 0 | 0 | 112.8 | L858 Q859 A862 K866 Y889 A890 Q891 | L858-M893 HydrophobicContact CB-CE 4.28Å; L858-M893 HydrophobicContact CB-SD 4.42Å; L858-M893 HydrophobicContact CD2-CE 4.25Å; L858-M893 HydrophobicContact CD2-SD 4.18Å; L858-M893 HydrophobicContact CG-CE 4.31Å; L858-M893 HydrophobicContact CG-SD 3.97Å; Q859-M893 HydrophobicContact CB-CE 4.13Å; Q859-M893 HydrophobicContact CB-SD 4.36Å; A862-M893 HydrophobicContact CB-CB 4.08Å; A862-M893 HydrophobicContact CB-SD 4.06Å; K866-M893 WeakPolarHBondContact CE-O 3.43Å; K866-M893 PolarHBondContact NZ-O 3.29Å; Y889-M893 VanDerWaalsContact O-CG 3.23Å; Y889-M893 WeakPolarHBondContact O-CG 3.3Å; Y889-M893 PolarHBondContact O-N 3.44Å; A890-M893 CarbonylContact O-C 3.21Å; A890-M893 WeakPolarHBondContact O-CA 3.29Å; A890-M893 WeakPolarHBondContact O-CB 3.44Å; A890-M893 PolarHBondContact O-N 2.87Å; Q891-M893 PolarHBondContact O-N 3.2Å |
| 894 | G | 97.2 | Very high | 97.2 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 54% | 0.536 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.7 | 23.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | A890 Q891 N892 | A890-G894 PolarHBondContact O-N 3.36Å; Q891-G894 WeakPolarHBondContact O-CA 3.39Å; Q891-G894 PolarHBondContact O-N 3.08Å; N892-G894 PolarHBondContact O-N 3.42Å |
| 895 | L | 97 | Very high | 97.1 | Very high | 8 Ų | 8 | 50.1 Ų | 50.1 | 4% | 0.042 | 28% | 0.275 | C | S | . | . | trans | -94.8 | 134.1 | 170.5 | -72.4 | 175.8 | 0 | 0 | 0 | 111.9 | A862 L865 K866 A890 Q891 | A862-L895 HydrophobicContact CB-CD1 3.61Å; A862-L895 HydrophobicContact CB-CG 4.01Å; L865-L895 HydrophobicContact CB-CD1 4.44Å; L865-L895 HydrophobicContact CB-CD2 3.72Å; L865-L895 HydrophobicContact CD1-CD1 3.73Å; L865-L895 HydrophobicContact CD1-CD2 4.32Å; K866-L895 HydrophobicContact CG-CD2 4.1Å; A890-L895 HydrophobicContact CB-CB 4.31Å; A890-L895 HydrophobicContact CB-CD1 4.1Å; A890-L895 WeakPolarHBondContact O-CB 3.37Å; A890-L895 PolarHBondContact O-N 3.39Å; Q891-L895 WeakPolarHBondContact CA-O 3.41Å | ||
| 896 | P | 95 | Very high | 97 | Very high | 73 Ų | 73 | 48.6 Ų | 48.6 | 47% | 0.474 | 27% | 0.269 | S | S | . | . | trans | -61.1 | 146.7 | 167.7 | -22.3 | 31.4 | 0 | 0 | 0 | 112.7 | N898 R899 | P896-N898 VanDerWaalsContact C-N 3.25Å; P896-N898 WeakPolarHBondContact CB-OD1 3.48Å; P896-N898 PolarHBondContact O-N 3.28Å; P896-R899 HydrophobicContact CB-CG 4.05Å; P896-R899 HydrophobicContact CG-CG 4.17Å; P896-R899 WeakPolarHBondContact O-CB 3.4Å; P896-R899 WeakPolarHBondContact O-CG 3.49Å; P896-R899 PolarHBondContact O-N 3.04Å | ||
| 897 | Q | 91 | Very high | 96.9 | Very high | 129 Ų | 129 | 50.5 Ų | 50.5 | 60% | 0.603 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -57.8 | -33.2 | -175.6 | -170.4 | 178.5 | 1.3 | 0 | 0 | 113.8 | Q887 R899 | Q887-Q897 PolarHBondContact OE1-O 3.27Å; Q897-R899 PolarHBondContact O-N 3.04Å |
| 898 | N | 94.6 | Very high | 96.9 | Very high | 121 Ų | 121 | 51 Ų | 51 | 65% | 0.647 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -76.5 | -1.7 | -179.8 | 67.5 | -27.3 | 0 | 0 | 0 | 114.1 | P896 | P896-N898 VanDerWaalsContact C-N 3.25Å; P896-N898 WeakPolarHBondContact CB-OD1 3.48Å; P896-N898 PolarHBondContact O-N 3.28Å |
| 899 | R | 97.9 | Very high | 96.9 | Very high | 30 Ų | 30 | 46.5 Ų | 46.5 | 11% | 0.113 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -81 | -16.8 | 177.6 | -60.2 | -61.2 | -58.4 | -76.7 | -0.4 | 113.3 | L865 V868 P869 S871 V872 L873 P896 Q897 | L865-R899 HydrophobicContact CD1-CB 4.43Å; L865-R899 PolarHBondContact O-NH1 3.25Å; L865-R899 PolarHBondContact O-NH2 3.07Å; V868-R899 PolarHBondContact O-NH2 3.22Å; V868-R899 VanDerWaalsContact O-NH2 3.09Å; P869-R899 PolarHBondContact O-NH2 3.38Å; S871-R899 PolarHBondContact O-NE 3.16Å; S871-R899 PolarHBondContact O-NH2 2.93Å; S871-R899 PolarHBondContact OG-NH2 3.43Å; V872-R899 CarbonylContact C-O 3.54Å; V872-R899 WeakPolarHBondContact CA-O 3.4Å; L873-R899 PolarHBondContact N-O 3.25Å; P896-R899 HydrophobicContact CB-CG 4.05Å; P896-R899 HydrophobicContact CG-CG 4.17Å; P896-R899 WeakPolarHBondContact O-CB 3.4Å; P896-R899 WeakPolarHBondContact O-CG 3.49Å; P896-R899 PolarHBondContact O-N 3.04Å; Q897-R899 PolarHBondContact O-N 3.04Å |
| 900 | I | 98.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.036 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.3 | 175.6 | -55.1 | -176.9 | 0 | 0 | 0 | 108.7 | L858 L873 L875 I886 Q887 A890 F902 | L858-I900 HydrophobicContact CD1-CD1 4.34Å; L873-I900 HydrophobicContact CB-CG1 4.42Å; L873-I900 HydrophobicContact CD2-CD1 4.45Å; L873-I900 HydrophobicContact CD2-CG1 4.45Å; L873-I900 CarbonylContact O-C 3.52Å; L873-I900 WeakPolarHBondContact O-CA 3.48Å; L875-I900 HydrophobicContact CD1-CG2 3.74Å; L875-I900 HydrophobicContact CG-CG2 4.09Å; I886-I900 HydrophobicContact CG2-CD1 4.15Å; Q887-I900 PolarHBondContact NE2-O 3.39Å; A890-I900 HydrophobicContact CB-CD1 3.48Å; A890-I900 VanDerWaalsContact CB-CD1 3.48Å; I900-F902 HydrophobicContact CG2-CD2 4.02Å; I900-F902 HydrophobicContact CG2-CE2 3.48Å; I900-F902 VanDerWaalsContact CG2-CE2 3.48Å; I900-F902 HydrophobicContact CG2-CZ 4.13Å |
| 901 | I | 98.4 | Very high | 96.9 | Very high | 32 Ų | 32 | 46 Ų | 46 | 16% | 0.164 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 134.7 | 179.9 | -60.5 | 172.3 | 0 | 0 | 0 | 108.2 | L837 V872 L873 W874 L875 | L837-I901 HydrophobicContact CD2-CB 4.41Å; L837-I901 HydrophobicContact CD2-CD1 3.95Å; L837-I901 HydrophobicContact CD2-CG2 4.18Å; V872-I901 HydrophobicContact CB-CD1 4.14Å; V872-I901 HydrophobicContact CG1-CD1 4.14Å; V872-I901 HydrophobicContact CG2-CD1 4.04Å; L873-I901 PolarHBondContact O-N 3.36Å; W874-I901 CarbonylContact C-O 3.59Å; W874-I901 WeakPolarHBondContact CA-O 3.31Å; L875-I901 PolarHBondContact N-O 3.48Å |
| 902 | F | 98.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 135 | 177.5 | -79 | -93.3 | 0 | 0 | 0 | 111.2 | L850 L875 R877 E883 I886 Q887 I900 | L850-F902 HydrophobicContact CD1-CE1 4.3Å; L850-F902 HydrophobicContact CD2-CE1 4.11Å; L875-F902 HydrophobicContact CB-CD1 3.85Å; L875-F902 HydrophobicContact CB-CE1 3.64Å; L875-F902 HydrophobicContact CB-CG 4.46Å; L875-F902 HydrophobicContact CB-CZ 4.08Å; L875-F902 HydrophobicContact CD1-CE1 4.07Å; L875-F902 HydrophobicContact CD1-CE2 4.42Å; L875-F902 HydrophobicContact CD1-CZ 3.76Å; L875-F902 HydrophobicContact CG-CE1 4.5Å; L875-F902 WeakPolarHBondContact O-CA 3.24Å; R877-F902 HydrophobicContact CB-CB 4.28Å; R877-F902 HydrophobicContact CB-CD1 4.18Å; R877-F902 PolarHBondContact NH2-O 3.24Å; E883-F902 HydrophobicContact CB-CD1 4.21Å; E883-F902 HydrophobicContact CB-CD2 4.35Å; E883-F902 HydrophobicContact CB-CE1 4.07Å; E883-F902 HydrophobicContact CB-CE2 4.23Å; E883-F902 HydrophobicContact CB-CG 4.33Å; E883-F902 HydrophobicContact CB-CZ 4.08Å; E883-F902 HydrophobicContact CG-CD1 4.3Å; E883-F902 HydrophobicContact CG-CD2 3.6Å; E883-F902 HydrophobicContact CG-CE1 4.36Å; E883-F902 HydrophobicContact CG-CE2 3.7Å; E883-F902 HydrophobicContact CG-CG 3.91Å; E883-F902 HydrophobicContact CG-CZ 4.07Å; I886-F902 HydrophobicContact CB-CZ 4.07Å; I886-F902 HydrophobicContact CG2-CE2 4.41Å; I886-F902 HydrophobicContact CG2-CZ 3.9Å; Q887-F902 HydrophobicContact CG-CE2 4.23Å; I900-F902 HydrophobicContact CG2-CD2 4.02Å; I900-F902 HydrophobicContact CG2-CE2 3.48Å; I900-F902 VanDerWaalsContact CG2-CE2 3.48Å; I900-F902 HydrophobicContact CG2-CZ 4.13Å |
| 903 | S | 96.9 | Very high | 97 | Very high | 5 Ų | 5 | 37.2 Ų | 37.2 | 4% | 0.035 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 149.7 | 169.9 | -70.6 | 0 | 0 | 0 | 0 | 111.7 | W874 L875 R877 | W874-S903 PolarHBondContact NE1-OG 3.03Å; L875-S903 PolarHBondContact O-N 3.02Å; L875-S903 VanDerWaalsContact O-N 3.08Å; R877-S903 WeakPolarHBondContact CB-O 3.37Å; R877-S903 PolarHBondContact N-O 2.91Å |
| 904 | P | 96 | Very high | 97 | Very high | 75 Ų | 75 | 35.6 Ų | 35.6 | 49% | 0.487 | 21% | 0.208 | S | C | . | . | trans | -61.9 | 162.7 | 177.3 | 28.3 | -35.3 | 0 | 0 | 0 | 111.7 | A906 R914 | P904-A906 PolarHBondContact O-N 3.45Å; P904-R914 PolarHBondContact O-NH1 3.36Å; P904-R914 PolarHBondContact O-NH2 3.47Å | ||
| 905 | V | 95.2 | Very high | 97.1 | Very high | 83 Ų | 83 | 33.2 Ų | 33.2 | 50% | 0.503 | 18% | 0.183 | S | C | . | . | trans | -57.4 | 131.2 | 163 | -175 | 0 | 0 | 0 | 0 | 108.1 | L876 F878 | L876-V905 HydrophobicContact CD1-CB 4.41Å; L876-V905 HydrophobicContact CD1-CG2 4.02Å; L876-V905 HydrophobicContact CD2-CG2 4.45Å; L876-V905 HydrophobicContact CG-CG2 4.36Å; F878-V905 HydrophobicContact CB-CG2 3.77Å; F878-V905 HydrophobicContact CD2-CG2 3.77Å; F878-V905 HydrophobicContact CG-CG2 3.87Å | ||
| 906 | A | 95.8 | Very high | 97.2 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 12% | 0.124 | 18% | 0.181 | C | C | . | . | trans | -110.8 | 157.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | P904 E910 H911 | P904-A906 PolarHBondContact O-N 3.45Å; A906-E910 HydrophobicContact CB-CB 4.02Å; A906-E910 HydrophobicContact CB-CG 3.96Å; A906-H911 HydrophobicContact CB-CB 4.43Å | ||
| 907 | P | 96.4 | Very high | 97.4 | Very high | 40 Ų | 40 | 29.3 Ų | 29.3 | 26% | 0.26 | 16% | 0.159 | S | C | . | . | trans | -50.7 | 152 | 166 | -22 | 31.6 | 0 | 0 | 0 | 111.2 | T811 A818 E909 E910 H911 | T811-P907 HydrophobicContact CG2-CB 4.28Å; T811-P907 HydrophobicContact CG2-CG 3.47Å; T811-P907 VanDerWaalsContact CG2-CG 3.47Å; A818-P907 HydrophobicContact CB-CB 3.85Å; A818-P907 HydrophobicContact CB-CG 4.33Å; A818-P907 CarbonylContact O-C 3.55Å; A818-P907 WeakPolarHBondContact O-CB 3.4Å; P907-E909 VanDerWaalsContact C-N 3.33Å; P907-E909 PolarHBondContact O-N 2.7Å; P907-E910 PolarHBondContact O-N 3.05Å; P907-H911 PolarHBondContact O-N 2.98Å | ||
| 908 | K | 97.9 | Very high | 97.7 | Very high | 28 Ų | 28 | 23.2 Ų | 23.2 | 12% | 0.122 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -55.9 | -44 | -169.3 | -176.6 | 67 | -176.3 | 176.1 | 0 | 113 | H572 M711 F712 A818 T819 H911 V912 D935 | H572-K908 WeakPolarHBondContact ND1-CE 3.38Å; M711-K908 HydrophobicContact CE-CG 4.49Å; F712-K908 HydrophobicContact CZ-CG 3.88Å; A818-K908 PolarHBondContact O-N 3.3Å; T819-K908 WeakPolarHBondContact O-CB 3.16Å; K908-H911 PolarHBondContact O-N 3.3Å; K908-V912 WeakPolarHBondContact O-CG2 3.47Å; K908-V912 PolarHBondContact O-N 3.46Å; K908-V912 VanDerWaalsContact O-N 3.16Å; K908-D935 IonicContact NZ-OD1 3.57Å; K908-D935 PolarHBondContact NZ-OD1 3.45Å; K908-D935 IonicContact NZ-OD2 3.96Å; K908-D935 PolarHBondContact NZ-OD2 3.2Å |
| 909 | E | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.9 | -45 | 177.8 | -175 | -78.7 | 159.6 | 0 | 0 | 111.8 | F712 H714 A817 A818 P824 P907 H911 V912 R913 | F712-E909 HydrophobicContact CD1-CB 4.39Å; F712-E909 HydrophobicContact CD1-CG 4.19Å; F712-E909 HydrophobicContact CE1-CB 4.02Å; F712-E909 HydrophobicContact CE1-CG 4.32Å; H714-E909 IonicContact CD2-OE1 3.28Å; H714-E909 IonicContact CE1-OE1 2.82Å; H714-E909 IonicContact NE2-OE1 3.43Å; H714-E909 PolarHBondContact NE2-OE1 3.31Å; A817-E909 VanDerWaalsContact O-CB 3.26Å; A817-E909 WeakPolarHBondContact O-CB 3.41Å; A818-E909 WeakPolarHBondContact O-CB 3.06Å; A818-E909 PolarHBondContact O-N 2.91Å; P824-E909 HydrophobicContact CG-CG 4.09Å; P907-E909 VanDerWaalsContact C-N 3.33Å; P907-E909 PolarHBondContact O-N 2.7Å; E909-H911 VanDerWaalsContact C-N 3.35Å; E909-H911 PolarHBondContact O-N 3.48Å; E909-V912 PolarHBondContact O-N 3.15Å; E909-R913 VanDerWaalsContact CD-NE 3.31Å; E909-R913 WeakPolarHBondContact O-CB 3.32Å; E909-R913 PolarHBondContact O-N 2.98Å; E909-R913 VanDerWaalsContact OE1-CD 3.27Å; E909-R913 WeakPolarHBondContact OE1-CD 3.4Å; E909-R913 IonicContact OE1-CZ 3.35Å; E909-R913 IonicContact OE1-NE 2.79Å; E909-R913 PolarHBondContact OE1-NE 3.33Å; E909-R913 IonicContact OE2-CZ 2.8Å; E909-R913 IonicContact OE2-NE 3.59Å; E909-R913 PolarHBondContact OE2-NE 3.38Å; E909-R913 IonicContact OE2-NH2 3.46Å; E909-R913 PolarHBondContact OE2-NH2 2.93Å |
| 910 | E | 98.6 | Very high | 98 | Very high | 16 Ų | 16 | 16.2 Ų | 16.2 | 8% | 0.075 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.7 | -40.5 | 179.2 | -176 | -166.4 | 145.7 | 0 | 0 | 110.9 | Y835 A906 P907 V912 R913 R914 | Y835-E910 WeakPolarHBondContact CE1-OE1 3.48Å; Y835-E910 VanDerWaalsContact OH-CD 3.26Å; Y835-E910 WeakPolarHBondContact OH-CG 3.31Å; Y835-E910 PolarHBondContact OH-OE1 3.24Å; A906-E910 HydrophobicContact CB-CB 4.02Å; A906-E910 HydrophobicContact CB-CG 3.96Å; P907-E910 PolarHBondContact O-N 3.05Å; E910-V912 VanDerWaalsContact C-N 3.34Å; E910-V912 PolarHBondContact O-N 3.01Å; E910-R913 PolarHBondContact O-N 3.5Å; E910-R914 VanDerWaalsContact O-CB 3.28Å; E910-R914 WeakPolarHBondContact O-CB 3.47Å; E910-R914 VanDerWaalsContact O-CG 3.27Å; E910-R914 WeakPolarHBondContact O-CG 3.41Å; E910-R914 PolarHBondContact O-N 3.31Å |
| 911 | H | 98.2 | Very high | 98 | Very high | 19 Ų | 19 | 16 Ų | 16 | 9% | 0.088 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -57 | -45.9 | 176.6 | 178.1 | 91.8 | 0 | 0 | 0 | 112 | F847 A906 P907 K908 E909 D935 | F847-H911 VanDerWaalsContact CB-CE1 3.42Å; F847-H911 WeakPolarHBondContact CB-CE1 3.46Å; A906-H911 HydrophobicContact CB-CB 4.43Å; P907-H911 PolarHBondContact O-N 2.98Å; K908-H911 PolarHBondContact O-N 3.3Å; E909-H911 VanDerWaalsContact C-N 3.35Å; E909-H911 PolarHBondContact O-N 3.48Å; H911-D935 IonicContact CD2-OD2 3.36Å; H911-D935 PolarHBondContact CD2-OD2 2.89Å; H911-D935 IonicContact NE2-OD2 3.67Å |
| 912 | V | 98.7 | Very high | 98 | Very high | 1 Ų | 1 | 14.5 Ų | 14.5 | 1% | 0.006 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -70.1 | -49.5 | 177.1 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | F712 L715 K908 E909 E910 R914 G915 D935 W938 | F712-V912 HydrophobicContact CD2-CB 4.42Å; F712-V912 HydrophobicContact CD2-CG1 4.09Å; F712-V912 HydrophobicContact CD2-CG2 4.24Å; F712-V912 HydrophobicContact CE2-CB 4.36Å; F712-V912 HydrophobicContact CE2-CG1 4.42Å; F712-V912 HydrophobicContact CE2-CG2 3.74Å; F712-V912 HydrophobicContact CZ-CG2 4.08Å; L715-V912 HydrophobicContact CD1-CB 4.41Å; L715-V912 HydrophobicContact CD1-CG1 3.73Å; K908-V912 WeakPolarHBondContact O-CG2 3.47Å; K908-V912 PolarHBondContact O-N 3.46Å; K908-V912 VanDerWaalsContact O-N 3.16Å; E909-V912 PolarHBondContact O-N 3.15Å; E910-V912 VanDerWaalsContact C-N 3.34Å; E910-V912 PolarHBondContact O-N 3.01Å; V912-R914 PolarHBondContact O-N 2.91Å; V912-G915 PolarHBondContact O-N 3.08Å; V912-G915 VanDerWaalsContact O-N 3.11Å; V912-D935 HydrophobicContact CG2-CB 3.94Å; V912-W938 HydrophobicContact CG1-CB 4.41Å |
| 913 | R | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | -176.3 | 176.4 | 169.9 | 46.1 | 71.3 | 2.7 | 112.8 | L715 G807 T830 E909 E910 G915 Q916 | L715-R913 HydrophobicContact CD1-CB 4.21Å; L715-R913 HydrophobicContact CD2-CB 4.08Å; L715-R913 HydrophobicContact CD2-CG 3.97Å; G807-R913 PolarHBondContact O-NH2 3.11Å; T830-R913 HydrophobicContact CG2-CG 4.35Å; T830-R913 VanDerWaalsContact OG1-CD 3.26Å; T830-R913 WeakPolarHBondContact OG1-CD 3.39Å; T830-R913 WeakPolarHBondContact OG1-CG 3.05Å; T830-R913 PolarHBondContact OG1-NH1 2.92Å; E909-R913 VanDerWaalsContact CD-NE 3.31Å; E909-R913 WeakPolarHBondContact O-CB 3.32Å; E909-R913 PolarHBondContact O-N 2.98Å; E909-R913 VanDerWaalsContact OE1-CD 3.27Å; E909-R913 WeakPolarHBondContact OE1-CD 3.4Å; E909-R913 IonicContact OE1-CZ 3.35Å; E909-R913 IonicContact OE1-NE 2.79Å; E909-R913 PolarHBondContact OE1-NE 3.33Å; E909-R913 IonicContact OE2-CZ 2.8Å; E909-R913 IonicContact OE2-NE 3.59Å; E909-R913 PolarHBondContact OE2-NE 3.38Å; E909-R913 IonicContact OE2-NH2 3.46Å; E909-R913 PolarHBondContact OE2-NH2 2.93Å; E910-R913 PolarHBondContact O-N 3.5Å; R913-G915 PolarHBondContact O-N 2.92Å; R913-Q916 WeakPolarHBondContact O-CB 3.49Å; R913-Q916 WeakPolarHBondContact O-CG 3.47Å; R913-Q916 PolarHBondContact O-N 3.4Å; R913-Q916 VanDerWaalsContact O-N 3.11Å; R913-Q916 PolarHBondContact O-NE2 3.09Å |
| 914 | R | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -67.8 | -19.1 | 180 | 81.3 | -175.2 | -175.9 | 179.9 | 1.6 | 112.7 | T830 Y835 W874 P904 E910 V912 Q916 L917 | T830-R914 HydrophobicContact CG2-CB 4.43Å; Y835-R914 HydrophobicContact CE2-CB 3.84Å; W874-R914 HydrophobicContact CH2-CB 4Å; W874-R914 HydrophobicContact CH2-CG 3.78Å; W874-R914 HydrophobicContact CZ2-CG 4.48Å; W874-R914 HydrophobicContact CZ3-CG 4.45Å; P904-R914 PolarHBondContact O-NH1 3.36Å; P904-R914 PolarHBondContact O-NH2 3.47Å; E910-R914 VanDerWaalsContact O-CB 3.28Å; E910-R914 WeakPolarHBondContact O-CB 3.47Å; E910-R914 VanDerWaalsContact O-CG 3.27Å; E910-R914 WeakPolarHBondContact O-CG 3.41Å; E910-R914 PolarHBondContact O-N 3.31Å; V912-R914 PolarHBondContact O-N 2.91Å; R914-Q916 PolarHBondContact O-N 2.91Å; R914-Q916 VanDerWaalsContact O-N 3.14Å; R914-L917 WeakPolarHBondContact O-CB 3.4Å; R914-L917 WeakPolarHBondContact O-CG 3.26Å; R914-L917 PolarHBondContact O-N 2.92Å |
| 915 | G | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 10.5 Ų | 10.5 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | G | 310 helix | trans | -57.2 | -23.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V912 R913 L917 A918 T941 | V912-G915 PolarHBondContact O-N 3.08Å; V912-G915 VanDerWaalsContact O-N 3.11Å; R913-G915 PolarHBondContact O-N 2.92Å; G915-L917 PolarHBondContact O-N 3.3Å; G915-A918 PolarHBondContact O-N 3.22Å; G915-T941 PolarHBondContact O-OG1 2.99Å |
| 916 | Q | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.1 Ų | 8.1 | 0% | 0 | 5% | 0.046 | C | C | . | . | G | 310 helix | trans | -64.6 | -23.6 | 175.5 | -67.9 | 175 | 106.9 | 0 | 0 | 112.7 | N732 N737 R913 R914 A939 | N732-Q916 WeakPolarHBondContact CB-O 3.32Å; N737-Q916 PolarHBondContact ND2-OE1 3.49Å; N737-Q916 PolarHBondContact OD1-NE2 3.38Å; N737-Q916 PolarHBondContact OD1-OE1 2.91Å; R913-Q916 WeakPolarHBondContact O-CB 3.49Å; R913-Q916 WeakPolarHBondContact O-CG 3.47Å; R913-Q916 PolarHBondContact O-N 3.4Å; R913-Q916 VanDerWaalsContact O-N 3.11Å; R913-Q916 PolarHBondContact O-NE2 3.09Å; R914-Q916 PolarHBondContact O-N 2.91Å; R914-Q916 VanDerWaalsContact O-N 3.14Å; Q916-A939 HydrophobicContact CG-CB 3.87Å |
| 917 | L | 98.7 | Very high | 98.5 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | G | 310 helix | trans | -76.9 | -21.8 | -178.3 | -58.7 | 179.5 | 0 | 0 | 0 | 113.5 | N732 V735 T830 T831 R832 Y835 L837 W874 R914 G915 | N732-L917 WeakPolarHBondContact O-CA 3.22Å; N732-L917 WeakPolarHBondContact O-CD2 3.49Å; V735-L917 HydrophobicContact CG2-CD2 4.16Å; T830-L917 HydrophobicContact CG2-CD1 3.9Å; T830-L917 HydrophobicContact CG2-CD2 4.16Å; T830-L917 HydrophobicContact CG2-CG 4.02Å; T831-L917 WeakPolarHBondContact O-CD1 3.41Å; R832-L917 HydrophobicContact CG-CB 4.29Å; R832-L917 HydrophobicContact CG-CD2 4.42Å; R832-L917 PolarHBondContact NE-O 3.14Å; R832-L917 VanDerWaalsContact NE-O 3.15Å; R832-L917 PolarHBondContact NH2-O 2.92Å; Y835-L917 HydrophobicContact CD2-CD1 3.47Å; Y835-L917 VanDerWaalsContact CD2-CD1 3.47Å; Y835-L917 HydrophobicContact CE2-CD1 3.7Å; L837-L917 HydrophobicContact CD1-CB 4.44Å; L837-L917 HydrophobicContact CD1-CD1 4.47Å; W874-L917 HydrophobicContact CH2-CD1 4.34Å; W874-L917 HydrophobicContact CZ3-CB 4.26Å; R914-L917 WeakPolarHBondContact O-CB 3.4Å; R914-L917 WeakPolarHBondContact O-CG 3.26Å; R914-L917 PolarHBondContact O-N 2.92Å; G915-L917 PolarHBondContact O-N 3.3Å |
| 918 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.5 Ų | 5.5 | 0% | 0 | 3% | 0.028 | C | C | . | . | trans | -74.4 | 152.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | N732 V843 C845 G915 T941 R994 | N732-A918 PolarHBondContact ND2-O 2.93Å; V843-A918 HydrophobicContact CG1-CB 4.4Å; C845-A918 HydrophobicContact CB-CB 3.85Å; C845-A918 WeakPolarHBondContact SG-CB 3.38Å; G915-A918 PolarHBondContact O-N 3.22Å; A918-T941 HydrophobicContact CB-CG2 4.02Å; A918-R994 PolarHBondContact O-NH1 3.44Å | ||
| 919 | D | 98.8 | Very high | 98.6 | Very high | 4 Ų | 4 | 4.2 Ų | 4.2 | 2% | 0.021 | 2% | 0.023 | C | C | . | . | S | Bend | trans | -87.7 | -45.8 | 172.2 | -65.8 | -65.3 | 0 | 0 | 0 | 110.4 | N732 R733 R832 I842 V843 P942 L990 R994 | N732-D919 PolarHBondContact ND2-OD1 3.4Å; R733-D919 IonicContact CZ-OD1 3.21Å; R733-D919 IonicContact NH1-OD1 2.81Å; R733-D919 PolarHBondContact NH1-OD1 2.64Å; R733-D919 IonicContact NH1-OD2 2.65Å; R832-D919 IonicContact CZ-OD2 3.41Å; R832-D919 IonicContact NH2-OD1 3.4Å; R832-D919 IonicContact NH2-OD2 2.62Å; R832-D919 PolarHBondContact NH2-OD2 2.93Å; I842-D919 WeakPolarHBondContact CA-OD2 3.25Å; I842-D919 HydrophobicContact CD1-CB 4.36Å; I842-D919 HydrophobicContact CG2-CB 4.1Å; V843-D919 PolarHBondContact N-OD2 3.27Å; V843-D919 PolarHBondContact O-N 3.37Å; D919-P942 WeakPolarHBondContact O-CD 3.38Å; D919-L990 HydrophobicContact CB-CD2 4.1Å; D919-R994 PolarHBondContact O-NH1 3.2Å |
| 920 | V | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.4 Ų | 5.4 | 0% | 0 | 3% | 0.028 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 138.7 | -176.5 | -178.8 | 0 | 0 | 0 | 0 | 109.9 | V843 Y844 C845 L922 P942 V944 L983 L990 | V843-V920 PolarHBondContact O-N 3Å; Y844-V920 CarbonylContact C-O 3.48Å; Y844-V920 WeakPolarHBondContact CA-O 3.44Å; Y844-V920 HydrophobicContact CD1-CB 3.76Å; Y844-V920 HydrophobicContact CD1-CG1 4.09Å; Y844-V920 HydrophobicContact CD1-CG2 4.5Å; Y844-V920 HydrophobicContact CE1-CB 3.95Å; Y844-V920 HydrophobicContact CE1-CG1 4.2Å; Y844-V920 HydrophobicContact CE1-CG2 4.25Å; C845-V920 PolarHBondContact N-O 3.06Å; V920-L922 HydrophobicContact CG1-CD2 4.26Å; V920-P942 CarbonylContact C-O 3.59Å; V920-V944 HydrophobicContact CG1-CG2 3.8Å; V920-L983 HydrophobicContact CG1-CD1 3.99Å; V920-L983 HydrophobicContact CG2-CB 3.68Å; V920-L983 HydrophobicContact CG2-CD1 4.09Å; V920-L983 HydrophobicContact CG2-CG 4.39Å; V920-L990 HydrophobicContact CG2-CD1 3.73Å |
| 921 | C | 98.9 | Very high | 98.6 | Very high | 2 Ų | 2 | 5.7 Ų | 5.7 | 1% | 0.014 | 3% | 0.031 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 130.3 | 166.8 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | C845 V936 T941 P942 M943 V944 | C845-C921 CarbonylContact O-C 3.55Å; C845-C921 VanDerWaalsContact O-CA 3.25Å; C845-C921 WeakPolarHBondContact O-CA 3.49Å; C845-C921 PolarHBondContact O-SG 2.9Å; C921-V936 HydrophobicContact CB-CB 4.31Å; C921-V936 HydrophobicContact CB-CG1 4.43Å; C921-V936 HydrophobicContact CB-CG2 4.03Å; C921-T941 HydrophobicContact CB-CG2 4.24Å; C921-P942 PolarHBondContact N-O 3.38Å; C921-M943 HydrophobicContact CB-CB 4.1Å; C921-M943 HydrophobicContact CB-CG 4.17Å; C921-M943 CarbonylContact O-C 3.58Å; C921-M943 WeakPolarHBondContact O-CA 3.46Å; C921-V944 PolarHBondContact O-N 3.26Å |
| 922 | L | 99 | Very high | 98.6 | Very high | 1 Ų | 1 | 5.9 Ų | 5.9 | 1% | 0.005 | 3% | 0.033 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 103.2 | 173.1 | -66 | -173 | 0 | 0 | 0 | 107.9 | Y844 C845 N846 W861 I864 L873 V920 V944 Y976 A980 | Y844-L922 HydrophobicContact CD1-CD1 3.81Å; Y844-L922 HydrophobicContact CD1-CD2 3.75Å; Y844-L922 HydrophobicContact CD1-CG 3.68Å; Y844-L922 HydrophobicContact CE1-CD2 4.16Å; Y844-L922 HydrophobicContact CG-CD1 3.87Å; Y844-L922 HydrophobicContact CG-CG 4.13Å; C845-L922 PolarHBondContact O-N 3.32Å; N846-L922 WeakPolarHBondContact CB-O 3.4Å; N846-L922 PolarHBondContact ND2-O 3.46Å; W861-L922 HydrophobicContact CG-CD1 4.11Å; W861-L922 HydrophobicContact CZ2-CB 4.34Å; W861-L922 WeakPolarHBondContact CZ2-O 3.47Å; I864-L922 HydrophobicContact CD1-CD1 4Å; I864-L922 HydrophobicContact CD1-CD2 4.28Å; L873-L922 HydrophobicContact CD1-CD1 4.33Å; V920-L922 HydrophobicContact CG1-CD2 4.26Å; L922-V944 HydrophobicContact CD2-CB 4.36Å; L922-V944 HydrophobicContact CD2-CG2 4.49Å; L922-Y976 VanDerWaalsContact C-OH 3.22Å; L922-Y976 WeakPolarHBondContact CA-OH 3.49Å; L922-Y976 VanDerWaalsContact CB-OH 3.23Å; L922-Y976 WeakPolarHBondContact CB-OH 3.5Å; L922-Y976 HydrophobicContact CD2-CE1 4.37Å; L922-A980 HydrophobicContact CD2-CB 3.69Å |
| 923 | D | 98.9 | Very high | 98.6 | Very high | 1 Ų | 1 | 5.8 Ų | 5.8 | 1% | 0.005 | 3% | 0.033 | C | C | . | . | trans | -69.2 | 161.7 | -179.1 | -173.4 | 35.9 | 0 | 0 | 0 | 112.3 | P925 N928 G929 M943 V944 T945 A956 Y976 | D923-P925 WeakPolarHBondContact O-CD 3.42Å; D923-N928 WeakPolarHBondContact OD1-CA 3.39Å; D923-N928 VanDerWaalsContact OD2-CB 3.27Å; D923-N928 WeakPolarHBondContact OD2-CB 3.45Å; D923-N928 PolarHBondContact OD2-ND2 3.48Å; D923-G929 PolarHBondContact OD1-N 3.39Å; D923-M943 HydrophobicContact CB-CG 3.91Å; D923-M943 HydrophobicContact CB-SD 4.06Å; D923-V944 WeakPolarHBondContact CB-O 3.48Å; D923-V944 PolarHBondContact N-O 2.69Å; D923-T945 WeakPolarHBondContact OD2-CB 3.22Å; D923-T945 PolarHBondContact OD2-OG1 3.15Å; D923-A956 WeakPolarHBondContact OD2-CB 3.24Å; D923-Y976 PolarHBondContact N-OH 3.44Å; D923-Y976 PolarHBondContact O-OH 3Å | ||
| 924 | T | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | trans | -94.2 | 111.5 | 176.9 | 34.2 | 0 | 0 | 0 | 0 | 110.2 | K852 I853 T857 W861 L926 C927 N928 | K852-T924 HydrophobicContact CB-CG2 4.04Å; K852-T924 WeakPolarHBondContact O-CB 3.38Å; K852-T924 WeakPolarHBondContact O-CG2 3.45Å; I853-T924 HydrophobicContact CG1-CG2 3.93Å; T857-T924 HydrophobicContact CG2-CG2 4.19Å; W861-T924 HydrophobicContact CH2-CG2 3.88Å; W861-T924 HydrophobicContact CZ2-CG2 3.95Å; T924-L926 VanDerWaalsContact C-N 3.28Å; T924-L926 PolarHBondContact O-N 3.35Å; T924-C927 VanDerWaalsContact CB-O 3.29Å; T924-C927 WeakPolarHBondContact CB-O 3.49Å; T924-C927 CarbonylContact O-C 3.34Å; T924-C927 PolarHBondContact O-N 3.28Å; T924-C927 PolarHBondContact OG1-O 3.3Å; T924-N928 WeakPolarHBondContact O-CA 3.44Å; T924-N928 PolarHBondContact O-N 3.49Å; T924-N928 PolarHBondContact O-ND2 3.42Å; T924-N928 VanDerWaalsContact O-ND2 3.1Å | ||
| 925 | P | 98.7 | Very high | 98.6 | Very high | 10 Ų | 10 | 6 Ų | 6 | 7% | 0.065 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -69.4 | -21.6 | -178.8 | -21.9 | 34.3 | 0 | 0 | 0 | 114.7 | M860 D923 M946 S953 | M860-P925 HydrophobicContact CE-CG 3.69Å; D923-P925 WeakPolarHBondContact O-CD 3.42Å; P925-M946 HydrophobicContact CB-CB 4.24Å; P925-M946 HydrophobicContact CB-CE 3.6Å; P925-M946 HydrophobicContact CG-CB 4.1Å; P925-M946 HydrophobicContact CG-CE 3.92Å; P925-S953 WeakPolarHBondContact O-CB 3.41Å |
| 926 | L | 97.8 | Very high | 98.6 | Very high | 32 Ų | 32 | 6 Ų | 6 | 17% | 0.168 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -63.5 | -46.4 | 176.1 | 177.2 | 64.3 | 0 | 0 | 0 | 111.1 | L512 D854 T924 | L512-L926 HydrophobicContact CB-CD2 4.45Å; L512-L926 HydrophobicContact CD2-CD2 4.09Å; L512-L926 HydrophobicContact CD2-CG 4.3Å; D854-L926 HydrophobicContact CB-CD2 4.09Å; T924-L926 VanDerWaalsContact C-N 3.28Å; T924-L926 PolarHBondContact O-N 3.35Å |
| 927 | C | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 6 Ų | 6 | 1% | 0.007 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -153.6 | 120.6 | 177.2 | 175.2 | 0 | 0 | 0 | 0 | 105.8 | L512 K852 T924 | L512-C927 HydrophobicContact CD2-CB 3.96Å; K852-C927 HydrophobicContact CB-CB 4.42Å; K852-C927 HydrophobicContact CD-CB 4.05Å; K852-C927 WeakPolarHBondContact CD-O 3.47Å; K852-C927 HydrophobicContact CG-CB 4.09Å; T924-C927 VanDerWaalsContact CB-O 3.29Å; T924-C927 WeakPolarHBondContact CB-O 3.49Å; T924-C927 CarbonylContact O-C 3.34Å; T924-C927 PolarHBondContact O-N 3.28Å; T924-C927 PolarHBondContact OG1-O 3.3Å |
| 928 | N | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.034 | C | C | . | . | trans | -72.7 | 166.3 | -171 | -58.4 | 154.6 | 0 | 0 | 0 | 112.5 | K852 D923 T924 H930 A952 S953 R954 V955 A956 | K852-N928 PolarHBondContact NZ-O 2.91Å; D923-N928 WeakPolarHBondContact OD1-CA 3.39Å; D923-N928 VanDerWaalsContact OD2-CB 3.27Å; D923-N928 WeakPolarHBondContact OD2-CB 3.45Å; D923-N928 PolarHBondContact OD2-ND2 3.48Å; T924-N928 WeakPolarHBondContact O-CA 3.44Å; T924-N928 PolarHBondContact O-N 3.49Å; T924-N928 PolarHBondContact O-ND2 3.42Å; T924-N928 VanDerWaalsContact O-ND2 3.1Å; N928-H930 PolarHBondContact O-CD2 2.58Å; N928-H930 VanDerWaalsContact O-CD2 3.3Å; N928-H930 PolarHBondContact O-N 3.29Å; N928-H930 VanDerWaalsContact O-N 3.16Å; N928-A952 PolarHBondContact N-O 3.45Å; N928-S953 VanDerWaalsContact CG-C 3.49Å; N928-S953 PolarHBondContact ND2-O 3.48Å; N928-S953 PolarHBondContact OD1-O 2.91Å; N928-R954 PolarHBondContact OD1-N 3.25Å; N928-R954 VanDerWaalsContact OD1-N 3.12Å; N928-V955 PolarHBondContact OD1-N 3.16Å; N928-V955 VanDerWaalsContact OD1-N 3.11Å; N928-A956 HydrophobicContact CB-CB 3.72Å; N928-A956 PolarHBondContact OD1-N 2.94Å | ||
| 929 | G | 98.1 | Very high | 98.6 | Very high | 1 Ų | 1 | 6.1 Ų | 6.1 | 1% | 0.01 | 3% | 0.034 | C | C | . | . | trans | -63.4 | 104.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N848 D923 G933 | N848-G929 VanDerWaalsContact OD1-CA 3.24Å; N848-G929 WeakPolarHBondContact OD1-CA 3.38Å; D923-G929 PolarHBondContact OD1-N 3.39Å; G929-G933 WeakPolarHBondContact O-CA 3.36Å; G929-G933 PolarHBondContact O-N 3.15Å | ||
| 930 | H | 98.5 | Very high | 98.6 | Very high | 24 Ų | 24 | 6 Ų | 6 | 11% | 0.111 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -78.7 | -89 | 173.4 | -56.6 | 163 | 0 | 0 | 0 | 108.9 | P666 F704 N928 T932 G933 M934 A952 V955 Q959 | P666-H930 VanDerWaalsContact CB-CE1 3.45Å; P666-H930 WeakPolarHBondContact CB-CE1 3.08Å; F704-H930 VanDerWaalsContact CE1-C 3.47Å; F704-H930 HydrophobicContact CE1-CB 4.42Å; F704-H930 WeakPolarHBondContact CE1-O 3.43Å; F704-H930 HydrophobicContact CE2-CB 3.8Å; F704-H930 VanDerWaalsContact CZ-C 3.44Å; F704-H930 HydrophobicContact CZ-CB 3.54Å; N928-H930 PolarHBondContact O-CD2 2.58Å; N928-H930 VanDerWaalsContact O-CD2 3.3Å; N928-H930 PolarHBondContact O-N 3.29Å; N928-H930 VanDerWaalsContact O-N 3.16Å; H930-T932 PolarHBondContact O-N 2.88Å; H930-G933 PolarHBondContact O-N 3.17Å; H930-M934 PolarHBondContact O-N 3.43Å; H930-A952 PolarHBondContact NE2-O 2.74Å; H930-V955 HydrophobicContact CB-CG1 4.47Å; H930-Q959 PolarHBondContact O-NE2 2.93Å |
| 931 | T | 98.2 | Very high | 98.6 | Very high | 23 Ų | 23 | 6 Ų | 6 | 14% | 0.141 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -54.7 | -42.2 | 169.2 | -48.8 | 0 | 0 | 0 | 0 | 111.9 | P569 L573 G933 M934 D935 | P569-T931 HydrophobicContact CB-CG2 4.26Å; L573-T931 HydrophobicContact CD2-CG2 4.06Å; T931-G933 VanDerWaalsContact C-N 3.26Å; T931-G933 PolarHBondContact O-N 3.35Å; T931-M934 WeakPolarHBondContact O-CB 3.3Å; T931-M934 PolarHBondContact O-N 2.85Å; T931-M934 VanDerWaalsContact O-N 3.15Å; T931-D935 PolarHBondContact O-N 3.37Å |
| 932 | T | 98.1 | Very high | 98.6 | Very high | 22 Ų | 22 | 5.9 Ų | 5.9 | 14% | 0.135 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -62.5 | -33.2 | 178.1 | -52 | 0 | 0 | 0 | 0 | 112.3 | F847 H930 D935 V936 | F847-T932 HydrophobicContact CB-CG2 3.93Å; H930-T932 PolarHBondContact O-N 2.88Å; T932-D935 PolarHBondContact O-N 3.29Å; T932-V936 WeakPolarHBondContact O-CG2 3.22Å; T932-V936 PolarHBondContact O-N 3.24Å; T932-V936 VanDerWaalsContact O-N 3.07Å |
| 933 | G | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.9 Ų | 5.9 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G929 H930 T931 D935 V936 L937 | G929-G933 WeakPolarHBondContact O-CA 3.36Å; G929-G933 PolarHBondContact O-N 3.15Å; H930-G933 PolarHBondContact O-N 3.17Å; T931-G933 VanDerWaalsContact C-N 3.26Å; T931-G933 PolarHBondContact O-N 3.35Å; G933-D935 VanDerWaalsContact C-N 3.33Å; G933-D935 PolarHBondContact O-N 2.92Å; G933-V936 VanDerWaalsContact O-CG2 3.24Å; G933-V936 WeakPolarHBondContact O-CG2 3.46Å; G933-V936 PolarHBondContact O-N 2.94Å; G933-L937 WeakPolarHBondContact O-CB 3.45Å; G933-L937 WeakPolarHBondContact O-CG 3.36Å; G933-L937 PolarHBondContact O-N 3.34Å |
| 934 | M | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -61 | -41.5 | 174 | -60.8 | -59.8 | -79.1 | 0 | 0 | 112.3 | L573 F704 H708 H930 T931 V936 L937 W938 Q959 L1006 F1007 | L573-M934 HydrophobicContact CD2-CG 4.47Å; F704-M934 HydrophobicContact CD1-CG 3.44Å; F704-M934 VanDerWaalsContact CD1-CG 3.44Å; F704-M934 HydrophobicContact CD1-SD 3.92Å; F704-M934 HydrophobicContact CE1-CG 3.52Å; H708-M934 VanDerWaalsContact CE1-CB 3.46Å; H708-M934 WeakPolarHBondContact CE1-CB 3.4Å; H930-M934 PolarHBondContact O-N 3.43Å; T931-M934 WeakPolarHBondContact O-CB 3.3Å; T931-M934 PolarHBondContact O-N 2.85Å; T931-M934 VanDerWaalsContact O-N 3.15Å; M934-V936 PolarHBondContact O-N 3.49Å; M934-L937 PolarHBondContact O-N 3.33Å; M934-W938 WeakPolarHBondContact O-CB 3.3Å; M934-W938 PolarHBondContact O-N 2.99Å; M934-Q959 HydrophobicContact SD-CG 3.97Å; M934-L1006 HydrophobicContact CE-CD1 3.81Å; M934-L1006 HydrophobicContact CE-CD2 4.48Å; M934-L1006 HydrophobicContact CE-CG 3.76Å; M934-L1006 WeakPolarHBondContact CE-O 3.34Å; M934-L1006 HydrophobicContact SD-CD1 3.72Å; M934-L1006 HydrophobicContact SD-CD2 4.2Å; M934-L1006 HydrophobicContact SD-CG 3.98Å; M934-F1007 HydrophobicContact CB-CE1 4.08Å; M934-F1007 HydrophobicContact CB-CZ 4.36Å; M934-F1007 HydrophobicContact CE-CD1 3.66Å; M934-F1007 HydrophobicContact CE-CE1 3.34Å; M934-F1007 HydrophobicContact CE-CE2 4.4Å; M934-F1007 HydrophobicContact CE-CG 4.32Å; M934-F1007 HydrophobicContact CE-CZ 3.76Å; M934-F1007 WeakPolarHBondContact O-CZ 3.5Å; M934-F1007 HydrophobicContact SD-CE1 4.26Å; M934-F1007 HydrophobicContact SD-CZ 4.22Å |
| 935 | D | 98.8 | Very high | 98.6 | Very high | 5 Ų | 5 | 5.8 Ų | 5.8 | 3% | 0.027 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -59.2 | -47.5 | 178.8 | -65.5 | -20.3 | 0 | 0 | 0 | 111.7 | H708 K908 H911 V912 T931 T932 G933 A939 | H708-D935 IonicContact CD2-OD1 2.79Å; H708-D935 IonicContact CE1-OD1 3.64Å; H708-D935 IonicContact NE2-OD1 3.63Å; H708-D935 PolarHBondContact NE2-OD1 3.37Å; K908-D935 IonicContact NZ-OD1 3.57Å; K908-D935 PolarHBondContact NZ-OD1 3.45Å; K908-D935 IonicContact NZ-OD2 3.96Å; K908-D935 PolarHBondContact NZ-OD2 3.2Å; H911-D935 IonicContact CD2-OD2 3.36Å; H911-D935 PolarHBondContact CD2-OD2 2.89Å; H911-D935 IonicContact NE2-OD2 3.67Å; V912-D935 HydrophobicContact CG2-CB 3.94Å; T931-D935 PolarHBondContact O-N 3.37Å; T932-D935 PolarHBondContact O-N 3.29Å; G933-D935 VanDerWaalsContact C-N 3.33Å; G933-D935 PolarHBondContact O-N 2.92Å; D935-A939 PolarHBondContact O-N 3.07Å |
| 936 | V | 98.7 | Very high | 98.6 | Very high | 1 Ų | 1 | 6.4 Ų | 6.4 | 1% | 0.006 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -73.4 | -35.9 | -179.3 | -60.9 | 0 | 0 | 0 | 0 | 112.7 | F847 C921 T932 G933 M934 W938 A939 G940 T941 M943 | F847-V936 HydrophobicContact CD2-CG1 4.02Å; F847-V936 HydrophobicContact CE2-CG1 4.41Å; C921-V936 HydrophobicContact CB-CB 4.31Å; C921-V936 HydrophobicContact CB-CG1 4.43Å; C921-V936 HydrophobicContact CB-CG2 4.03Å; T932-V936 WeakPolarHBondContact O-CG2 3.22Å; T932-V936 PolarHBondContact O-N 3.24Å; T932-V936 VanDerWaalsContact O-N 3.07Å; G933-V936 VanDerWaalsContact O-CG2 3.24Å; G933-V936 WeakPolarHBondContact O-CG2 3.46Å; G933-V936 PolarHBondContact O-N 2.94Å; M934-V936 PolarHBondContact O-N 3.49Å; V936-W938 VanDerWaalsContact C-N 3.34Å; V936-A939 WeakPolarHBondContact O-CB 3.01Å; V936-A939 PolarHBondContact O-N 3.02Å; V936-G940 PolarHBondContact O-N 3.03Å; V936-T941 PolarHBondContact O-N 2.87Å; V936-M943 HydrophobicContact CG2-CB 4.33Å; V936-M943 HydrophobicContact CG2-SD 4.11Å |
| 937 | L | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 6.5 Ų | 6.5 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -68.3 | -34.6 | 176.3 | -67.6 | 177.8 | 0 | 0 | 0 | 111.4 | G933 M934 A939 G940 M943 Q959 L960 L963 V997 L1006 F1007 | G933-L937 WeakPolarHBondContact O-CB 3.45Å; G933-L937 WeakPolarHBondContact O-CG 3.36Å; G933-L937 PolarHBondContact O-N 3.34Å; M934-L937 PolarHBondContact O-N 3.33Å; L937-A939 VanDerWaalsContact C-N 3.31Å; L937-A939 PolarHBondContact O-N 3.28Å; L937-G940 WeakPolarHBondContact O-CA 3.38Å; L937-G940 PolarHBondContact O-N 3.12Å; L937-M943 HydrophobicContact CD1-CE 4.2Å; L937-M943 HydrophobicContact CD2-CB 4.16Å; L937-M943 HydrophobicContact CG-CE 4.46Å; L937-Q959 HydrophobicContact CD1-CB 4.1Å; L937-L960 HydrophobicContact CD2-CD2 4Å; L937-L963 HydrophobicContact CD1-CD2 4.32Å; L937-L963 HydrophobicContact CD2-CD2 3.83Å; L937-V997 HydrophobicContact CD2-CG1 4.17Å; L937-L1006 HydrophobicContact CD1-CD2 3.82Å; L937-F1007 HydrophobicContact CB-CE2 4.3Å; L937-F1007 HydrophobicContact CB-CZ 4.15Å |
| 938 | W | 98.8 | Very high | 98.5 | Very high | 1 Ų | 1 | 7.7 Ų | 7.7 | 0% | 0.004 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -65.2 | -35.1 | 174.3 | -170.8 | -110.8 | 0 | 0 | 0 | 112.7 | H708 A709 F712 K716 V912 M934 V936 G940 R1001 I1002 F1007 | H708-W938 HydrophobicContact CB-CB 4Å; H708-W938 HydrophobicContact CB-CD2 3.42Å; H708-W938 VanDerWaalsContact CB-CD2 3.42Å; H708-W938 HydrophobicContact CB-CE3 3.88Å; H708-W938 HydrophobicContact CB-CG 3.46Å; H708-W938 VanDerWaalsContact CB-CG 3.46Å; H708-W938 HydrophobicContact CB-CZ2 4.49Å; H708-W938 AromaticContact CD2-CG 3.99Å; H708-W938 WeakPolarHBondContact O-CZ2 3.22Å; H708-W938 PolarHBondContact O-NE1 2.92Å; A709-W938 VanDerWaalsContact CA-CH2 3.4Å; A709-W938 HydrophobicContact CB-CH2 3.64Å; A709-W938 HydrophobicContact CB-CZ2 4.27Å; A709-W938 HydrophobicContact CB-CZ3 4.18Å; F712-W938 PolarHBondContact O-NE1 3.01Å; K716-W938 HydrophobicContact CG-CH2 4.18Å; K716-W938 HydrophobicContact CG-CZ2 3.88Å; V912-W938 HydrophobicContact CG1-CB 4.41Å; M934-W938 WeakPolarHBondContact O-CB 3.3Å; M934-W938 PolarHBondContact O-N 2.99Å; V936-W938 VanDerWaalsContact C-N 3.34Å; W938-G940 PolarHBondContact O-N 3.27Å; W938-R1001 HydrophobicContact CE3-CB 4.46Å; W938-R1001 WeakPolarHBondContact O-CD 3.46Å; W938-R1001 PolarHBondContact O-NH1 3.09Å; W938-R1001 VanDerWaalsContact O-NH1 3.14Å; W938-I1002 HydrophobicContact CH2-CD1 3.72Å; W938-I1002 HydrophobicContact CZ3-CD1 3.97Å; W938-F1007 HydrophobicContact CB-CE1 4.05Å; W938-F1007 HydrophobicContact CB-CZ 3.93Å; W938-F1007 HydrophobicContact CD2-CD1 4.47Å; W938-F1007 HydrophobicContact CD2-CE1 4.46Å; W938-F1007 HydrophobicContact CE3-CB 4.09Å; W938-F1007 AromaticContact CE3-CD1 3.64Å; W938-F1007 HydrophobicContact CE3-CD1 3.64Å; W938-F1007 AromaticContact CE3-CD2 3.68Å; W938-F1007 HydrophobicContact CE3-CD2 3.68Å; W938-F1007 AromaticContact CE3-CE1 3.87Å; W938-F1007 HydrophobicContact CE3-CE1 3.87Å; W938-F1007 AromaticContact CE3-CE2 3.92Å; W938-F1007 HydrophobicContact CE3-CE2 3.92Å; W938-F1007 AromaticContact CE3-CG 3.53Å; W938-F1007 HydrophobicContact CE3-CG 3.53Å; W938-F1007 HydrophobicContact CE3-CZ 4.02Å; W938-F1007 HydrophobicContact CZ3-CB 3.69Å; W938-F1007 HydrophobicContact CZ3-CD1 4.11Å; W938-F1007 AromaticContact CZ3-CD2 3.96Å; W938-F1007 HydrophobicContact CZ3-CD2 3.96Å; W938-F1007 AromaticContact CZ3-CG 3.66Å; W938-F1007 HydrophobicContact CZ3-CG 3.66Å |
| 939 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.077 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -7.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q916 D935 V936 L937 T941 W998 | Q916-A939 HydrophobicContact CG-CB 3.87Å; D935-A939 PolarHBondContact O-N 3.07Å; V936-A939 WeakPolarHBondContact O-CB 3.01Å; V936-A939 PolarHBondContact O-N 3.02Å; L937-A939 VanDerWaalsContact C-N 3.31Å; L937-A939 PolarHBondContact O-N 3.28Å; A939-T941 VanDerWaalsContact C-N 3.33Å; A939-W998 WeakPolarHBondContact O-CZ3 3.36Å |
| 940 | G | 97.9 | Very high | 98.3 | Very high | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.6 | 24.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114 | V936 L937 W938 | V936-G940 PolarHBondContact O-N 3.03Å; L937-G940 WeakPolarHBondContact O-CA 3.38Å; L937-G940 PolarHBondContact O-N 3.12Å; W938-G940 PolarHBondContact O-N 3.27Å |
| 941 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 8% | 0.077 | C | C | . | . | trans | -91.7 | 120.3 | 176.5 | -67.7 | 0 | 0 | 0 | 0 | 109.3 | G915 A918 C921 V936 A939 M943 | G915-T941 PolarHBondContact O-OG1 2.99Å; A918-T941 HydrophobicContact CB-CG2 4.02Å; C921-T941 HydrophobicContact CB-CG2 4.24Å; V936-T941 PolarHBondContact O-N 2.87Å; A939-T941 VanDerWaalsContact C-N 3.33Å; T941-M943 PolarHBondContact O-N 3.12Å | ||
| 942 | P | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | trans | -57.3 | 136.2 | 175.6 | -23.1 | 33 | 0 | 0 | 0 | 111.1 | D919 V920 C921 L968 I993 R994 V997 | D919-P942 WeakPolarHBondContact O-CD 3.38Å; V920-P942 CarbonylContact C-O 3.59Å; C921-P942 PolarHBondContact N-O 3.38Å; P942-L968 HydrophobicContact CB-CD1 3.81Å; P942-I993 HydrophobicContact CB-CG2 3.72Å; P942-I993 HydrophobicContact CG-CG2 3.67Å; P942-R994 HydrophobicContact CG-CB 4.41Å; P942-R994 HydrophobicContact CG-CG 3.65Å; P942-V997 HydrophobicContact CB-CG2 4.22Å; P942-V997 HydrophobicContact CG-CG2 4.12Å | ||
| 943 | M | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 11.5 Ų | 11.5 | 1% | 0.005 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 123.9 | 177.1 | -179.4 | 174 | 60.6 | 0 | 0 | 109.3 | C921 D923 V936 L937 T941 A956 L960 L968 | C921-M943 HydrophobicContact CB-CB 4.1Å; C921-M943 HydrophobicContact CB-CG 4.17Å; C921-M943 CarbonylContact O-C 3.58Å; C921-M943 WeakPolarHBondContact O-CA 3.46Å; D923-M943 HydrophobicContact CB-CG 3.91Å; D923-M943 HydrophobicContact CB-SD 4.06Å; V936-M943 HydrophobicContact CG2-CB 4.33Å; V936-M943 HydrophobicContact CG2-SD 4.11Å; L937-M943 HydrophobicContact CD1-CE 4.2Å; L937-M943 HydrophobicContact CD2-CB 4.16Å; L937-M943 HydrophobicContact CG-CE 4.46Å; T941-M943 PolarHBondContact O-N 3.12Å; M943-A956 HydrophobicContact CE-CB 3.52Å; M943-A956 HydrophobicContact SD-CB 4.25Å; M943-L960 HydrophobicContact CE-CD1 4.37Å; M943-L960 HydrophobicContact CE-CG 4.31Å; M943-L960 VanDerWaalsContact O-CD1 3.23Å; M943-L960 WeakPolarHBondContact O-CD1 3.46Å; M943-L968 VanDerWaalsContact O-CB 3.29Å; M943-L968 WeakPolarHBondContact O-CB 3.5Å |
| 944 | V | 99 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 129.2 | 171.8 | -174.9 | 0 | 0 | 0 | 0 | 108 | V920 C921 L922 D923 L968 Y976 I979 L983 | V920-V944 HydrophobicContact CG1-CG2 3.8Å; C921-V944 PolarHBondContact O-N 3.26Å; L922-V944 HydrophobicContact CD2-CB 4.36Å; L922-V944 HydrophobicContact CD2-CG2 4.49Å; D923-V944 WeakPolarHBondContact CB-O 3.48Å; D923-V944 PolarHBondContact N-O 2.69Å; V944-L968 WeakPolarHBondContact CA-O 3.39Å; V944-L968 HydrophobicContact CG2-CD2 4.45Å; V944-Y976 HydrophobicContact CB-CE2 4.25Å; V944-Y976 HydrophobicContact CG1-CD2 3.74Å; V944-Y976 HydrophobicContact CG1-CE2 3.79Å; V944-Y976 HydrophobicContact CG1-CG 4.24Å; V944-Y976 WeakPolarHBondContact O-CE2 3.44Å; V944-I979 HydrophobicContact CG1-CB 4.18Å; V944-I979 HydrophobicContact CG1-CG2 3.92Å; V944-I979 HydrophobicContact CG2-CG2 3.8Å; V944-L983 HydrophobicContact CG2-CD1 3.64Å |
| 945 | T | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.073 | C | C | . | . | B | Isolated β-bridge | trans | -133.7 | 163.5 | 178.1 | -167.4 | 0 | 0 | 0 | 0 | 111.5 | D923 A956 A957 L960 L968 I969 A970 | D923-T945 WeakPolarHBondContact OD2-CB 3.22Å; D923-T945 PolarHBondContact OD2-OG1 3.15Å; T945-A956 HydrophobicContact CG2-CB 4.04Å; T945-A957 HydrophobicContact CG2-CB 4.05Å; T945-L960 HydrophobicContact CG2-CD1 3.58Å; T945-L968 PolarHBondContact N-O 3.43Å; T945-L968 VanDerWaalsContact N-O 3.07Å; T945-I969 HydrophobicContact CG2-CG1 4.45Å; T945-A970 WeakPolarHBondContact O-CB 3.32Å; T945-A970 PolarHBondContact O-N 2.85Å |
| 946 | M | 98.8 | Very high | 98.4 | Very high | 23 Ų | 23 | 13.1 Ų | 13.1 | 11% | 0.113 | 7% | 0.072 | C | C | . | . | trans | -132.8 | 98.8 | 173.8 | -177.5 | -176.2 | 73.8 | 0 | 0 | 107.7 | P925 G948 A970 R973 Y976 | P925-M946 HydrophobicContact CB-CB 4.24Å; P925-M946 HydrophobicContact CB-CE 3.6Å; P925-M946 HydrophobicContact CG-CB 4.1Å; P925-M946 HydrophobicContact CG-CE 3.92Å; M946-G948 PolarHBondContact O-N 3.11Å; M946-A970 WeakPolarHBondContact CA-O 3.41Å; M946-A970 HydrophobicContact CB-CB 4.31Å; M946-R973 HydrophobicContact CE-CG 4.09Å; M946-R973 HydrophobicContact SD-CB 4.48Å; M946-R973 HydrophobicContact SD-CG 3.94Å; M946-R973 PolarHBondContact SD-N 3.46Å; M946-Y976 HydrophobicContact CB-CD2 3.87Å | ||
| 947 | P | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 13.2 Ų | 13.2 | 22% | 0.221 | 7% | 0.073 | C | C | . | . | trans | -60.2 | 126.3 | -178 | 22.3 | -32.6 | 0 | 0 | 0 | 110.9 | S953 R954 A957 I969 A970 | P947-S953 VanDerWaalsContact CA-O 3.3Å; P947-S953 WeakPolarHBondContact CA-O 3.29Å; P947-R954 HydrophobicContact CB-CG 4.08Å; P947-A957 HydrophobicContact CB-CB 3.81Å; P947-A957 HydrophobicContact CG-CB 3.95Å; P947-I969 HydrophobicContact CG-CG2 3.81Å; P947-A970 WeakPolarHBondContact CD-O 3.36Å | ||
| 948 | G | 96.2 | Very high | 98.4 | Very high | 25 Ų | 25 | 13.2 Ų | 13.2 | 26% | 0.258 | 7% | 0.073 | S | C | . | . | trans | -85.8 | -152.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.8 | M946 S953 R954 | M946-G948 PolarHBondContact O-N 3.11Å; G948-S953 WeakPolarHBondContact CA-OG 3.48Å; G948-S953 PolarHBondContact N-O 3.06Å; G948-S953 VanDerWaalsContact N-O 3.07Å; G948-R954 VanDerWaalsContact O-CD 3.25Å; G948-R954 WeakPolarHBondContact O-CD 3.48Å; G948-R954 WeakPolarHBondContact O-CG 3.47Å; G948-R954 PolarHBondContact O-NH1 3.33Å | ||
| 949 | E | 95.5 | Very high | 98.4 | Very high | 125 Ų | 125 | 13.2 Ų | 13.2 | 58% | 0.584 | 7% | 0.072 | S | C | * | . | S | Bend | trans | -98.6 | -31 | 179.2 | -62 | -179.8 | -110.5 | 0 | 0 | 113.6 | H517 | H517-E949 IonicContact CD2-OE2 3.9Å; H517-E949 VanDerWaalsContact CE1-CB 3.44Å; H517-E949 WeakPolarHBondContact CE1-CB 3.22Å; H517-E949 IonicContact CE1-OE2 2.65Å; H517-E949 IonicContact NE2-OE2 3.15Å; H517-E949 PolarHBondContact NE2-OE2 3.45Å |
| 950 | T | 97.7 | Very high | 98.4 | Very high | 13 Ų | 13 | 13.2 Ų | 13.2 | 8% | 0.08 | 7% | 0.072 | C | C | . | . | S | Bend | trans | -74.7 | 150.8 | -178.9 | 71 | 0 | 0 | 0 | 0 | 111.1 | A952 S953 R954 | T950-A952 PolarHBondContact O-N 2.88Å; T950-S953 PolarHBondContact N-OG 3.39Å; T950-S953 PolarHBondContact O-N 2.94Å; T950-S953 PolarHBondContact O-OG 2.78Å; T950-S953 VanDerWaalsContact O-OG 3.06Å; T950-S953 PolarHBondContact OG1-N 2.89Å; T950-S953 PolarHBondContact OG1-OG 3.18Å; T950-R954 WeakPolarHBondContact O-CG 3.5Å; T950-R954 PolarHBondContact O-N 3.47Å |
| 951 | L | 98.5 | Very high | 98.4 | Very high | 6 Ų | 6 | 14.9 Ų | 14.9 | 3% | 0.031 | 8% | 0.083 | C | C | . | . | G | 310 helix | trans | -45.5 | -51.6 | 170.3 | -171.4 | 162.2 | 0 | 0 | 0 | 111.3 | P666 I677 T683 Y692 F703 S953 R954 V955 | P666-L951 HydrophobicContact CB-CD2 3.83Å; I677-L951 HydrophobicContact CD1-CD1 3.92Å; T683-L951 HydrophobicContact CG2-CD1 4.42Å; T683-L951 HydrophobicContact CG2-CD2 3.95Å; T683-L951 HydrophobicContact CG2-CG 3.6Å; Y692-L951 HydrophobicContact CE1-CB 4.35Å; Y692-L951 HydrophobicContact CE1-CD1 3.94Å; F703-L951 HydrophobicContact CZ-CD2 4.17Å; L951-S953 PolarHBondContact O-N 3.39Å; L951-S953 VanDerWaalsContact O-N 3.14Å; L951-R954 PolarHBondContact O-N 2.7Å; L951-V955 HydrophobicContact CD2-CG2 3.92Å; L951-V955 WeakPolarHBondContact O-CG2 3.07Å; L951-V955 PolarHBondContact O-N 3.24Å |
| 952 | A | 98.2 | Very high | 98.4 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -61.9 | -23.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | M511 P666 N928 H930 T950 | M511-A952 HydrophobicContact CB-CB 4.15Å; M511-A952 HydrophobicContact CG-CB 4.33Å; M511-A952 HydrophobicContact SD-CB 3.34Å; M511-A952 WeakPolarHBondContact SD-CB 3.48Å; P666-A952 HydrophobicContact CB-CB 4.09Å; P666-A952 HydrophobicContact CG-CB 4.45Å; N928-A952 PolarHBondContact N-O 3.45Å; H930-A952 PolarHBondContact NE2-O 2.74Å; T950-A952 PolarHBondContact O-N 2.88Å |
| 953 | S | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 15.5 Ų | 15.5 | 4% | 0.042 | 9% | 0.087 | C | C | . | . | G | 310 helix | trans | -97.9 | 5.9 | 177.9 | 58.2 | 0 | 0 | 0 | 0 | 114 | P925 N928 P947 G948 T950 L951 | P925-S953 WeakPolarHBondContact O-CB 3.41Å; N928-S953 VanDerWaalsContact CG-C 3.49Å; N928-S953 PolarHBondContact ND2-O 3.48Å; N928-S953 PolarHBondContact OD1-O 2.91Å; P947-S953 VanDerWaalsContact CA-O 3.3Å; P947-S953 WeakPolarHBondContact CA-O 3.29Å; G948-S953 WeakPolarHBondContact CA-OG 3.48Å; G948-S953 PolarHBondContact N-O 3.06Å; G948-S953 VanDerWaalsContact N-O 3.07Å; T950-S953 PolarHBondContact N-OG 3.39Å; T950-S953 PolarHBondContact O-N 2.94Å; T950-S953 PolarHBondContact O-OG 2.78Å; T950-S953 VanDerWaalsContact O-OG 3.06Å; T950-S953 PolarHBondContact OG1-N 2.89Å; T950-S953 PolarHBondContact OG1-OG 3.18Å; L951-S953 PolarHBondContact O-N 3.39Å; L951-S953 VanDerWaalsContact O-N 3.14Å |
| 954 | R | 98.8 | Very high | 98.4 | Very high | 40 Ų | 40 | 16.9 Ų | 16.9 | 15% | 0.151 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -117.4 | -13.6 | 179.6 | -63.4 | -179.8 | 66.8 | 82.7 | 2.6 | 114.4 | E682 T683 N928 P947 G948 T950 L951 A956 A957 S958 | E682-R954 VanDerWaalsContact O-CZ 3.22Å; E682-R954 PolarHBondContact O-NE 3.27Å; E682-R954 PolarHBondContact O-NH2 2.92Å; T683-R954 WeakPolarHBondContact O-CD 3.43Å; T683-R954 PolarHBondContact O-NE 3.29Å; N928-R954 PolarHBondContact OD1-N 3.25Å; N928-R954 VanDerWaalsContact OD1-N 3.12Å; P947-R954 HydrophobicContact CB-CG 4.08Å; G948-R954 VanDerWaalsContact O-CD 3.25Å; G948-R954 WeakPolarHBondContact O-CD 3.48Å; G948-R954 WeakPolarHBondContact O-CG 3.47Å; G948-R954 PolarHBondContact O-NH1 3.33Å; T950-R954 WeakPolarHBondContact O-CG 3.5Å; T950-R954 PolarHBondContact O-N 3.47Å; L951-R954 PolarHBondContact O-N 2.7Å; R954-A956 VanDerWaalsContact C-N 3.31Å; R954-A956 PolarHBondContact O-N 2.85Å; R954-A957 WeakPolarHBondContact O-CB 3.35Å; R954-A957 PolarHBondContact O-N 3.35Å; R954-A957 VanDerWaalsContact O-N 3.1Å; R954-S958 PolarHBondContact O-N 2.89Å; R954-S958 VanDerWaalsContact O-N 3.11Å |
| 955 | V | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54.4 | -43.6 | -177.6 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | F703 F704 N928 H930 L951 A957 S958 Q959 | F703-V955 HydrophobicContact CE1-CG1 4.34Å; F703-V955 HydrophobicContact CE1-CG2 4.14Å; F703-V955 HydrophobicContact CZ-CG2 4.35Å; F704-V955 HydrophobicContact CB-CG1 4.4Å; F704-V955 HydrophobicContact CD2-CG1 3.58Å; F704-V955 HydrophobicContact CE2-CG1 4Å; F704-V955 HydrophobicContact CG-CG1 3.94Å; N928-V955 PolarHBondContact OD1-N 3.16Å; N928-V955 VanDerWaalsContact OD1-N 3.11Å; H930-V955 HydrophobicContact CB-CG1 4.47Å; L951-V955 HydrophobicContact CD2-CG2 3.92Å; L951-V955 WeakPolarHBondContact O-CG2 3.07Å; L951-V955 PolarHBondContact O-N 3.24Å; V955-A957 VanDerWaalsContact C-N 3.32Å; V955-A957 PolarHBondContact O-N 3.09Å; V955-S958 WeakPolarHBondContact O-CB 3.37Å; V955-S958 PolarHBondContact O-N 3.18Å; V955-Q959 HydrophobicContact CG1-CG 4.38Å; V955-Q959 VanDerWaalsContact O-CG 3.31Å; V955-Q959 WeakPolarHBondContact O-CG 3.5Å; V955-Q959 PolarHBondContact O-N 3.37Å |
| 956 | A | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65.9 | -35.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | D923 N928 M943 T945 R954 Q959 L960 | D923-A956 WeakPolarHBondContact OD2-CB 3.24Å; N928-A956 HydrophobicContact CB-CB 3.72Å; N928-A956 PolarHBondContact OD1-N 2.94Å; M943-A956 HydrophobicContact CE-CB 3.52Å; M943-A956 HydrophobicContact SD-CB 4.25Å; T945-A956 HydrophobicContact CG2-CB 4.04Å; R954-A956 VanDerWaalsContact C-N 3.31Å; R954-A956 PolarHBondContact O-N 2.85Å; A956-Q959 PolarHBondContact O-N 3.17Å; A956-L960 WeakPolarHBondContact O-CB 3.47Å; A956-L960 WeakPolarHBondContact O-CD1 3.41Å; A956-L960 VanDerWaalsContact O-CG 3.26Å; A956-L960 WeakPolarHBondContact O-CG 3.24Å; A956-L960 PolarHBondContact O-N 3.37Å |
| 957 | A | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 3% | 0.025 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.1 | -43.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | T945 P947 R954 V955 Q959 L960 T961 I969 | T945-A957 HydrophobicContact CG2-CB 4.05Å; P947-A957 HydrophobicContact CB-CB 3.81Å; P947-A957 HydrophobicContact CG-CB 3.95Å; R954-A957 WeakPolarHBondContact O-CB 3.35Å; R954-A957 PolarHBondContact O-N 3.35Å; R954-A957 VanDerWaalsContact O-N 3.1Å; V955-A957 VanDerWaalsContact C-N 3.32Å; V955-A957 PolarHBondContact O-N 3.09Å; A957-Q959 PolarHBondContact O-N 3.42Å; A957-L960 PolarHBondContact O-N 2.98Å; A957-T961 PolarHBondContact O-N 3.31Å; A957-T961 PolarHBondContact O-OG1 3.4Å; A957-T961 VanDerWaalsContact O-OG1 3.13Å; A957-I969 HydrophobicContact CB-CD1 4.21Å; A957-I969 HydrophobicContact CB-CG1 4.49Å; A957-I969 HydrophobicContact CB-CG2 3.94Å; A957-I969 WeakPolarHBondContact O-CD1 3.32Å |
| 958 | S | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -44.5 | 174.6 | -179.3 | 0 | 0 | 0 | 0 | 112.5 | D680 T683 T702 R954 V955 L960 T961 C962 | D680-S958 PolarHBondContact OD1-OG 2.95Å; D680-S958 PolarHBondContact OD2-OG 3.03Å; T683-S958 WeakPolarHBondContact OG1-CB 3.38Å; T683-S958 PolarHBondContact OG1-OG 3.14Å; T702-S958 WeakPolarHBondContact CB-OG 3.34Å; T702-S958 PolarHBondContact OG1-OG 3.17Å; R954-S958 PolarHBondContact O-N 2.89Å; R954-S958 VanDerWaalsContact O-N 3.11Å; V955-S958 WeakPolarHBondContact O-CB 3.37Å; V955-S958 PolarHBondContact O-N 3.18Å; S958-L960 VanDerWaalsContact C-N 3.35Å; S958-L960 PolarHBondContact O-N 3.43Å; S958-T961 PolarHBondContact O-N 3Å; S958-C962 WeakPolarHBondContact O-CB 3.41Å; S958-C962 PolarHBondContact O-N 3.19Å |
| 959 | Q | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -57.7 | -46.1 | 173.7 | -69.5 | 169.8 | -1.1 | 0 | 0 | 111.7 | F704 H930 M934 L937 V955 A956 A957 C962 L963 L1006 | F704-Q959 HydrophobicContact CB-CG 4.25Å; H930-Q959 PolarHBondContact O-NE2 2.93Å; M934-Q959 HydrophobicContact SD-CG 3.97Å; L937-Q959 HydrophobicContact CD1-CB 4.1Å; V955-Q959 HydrophobicContact CG1-CG 4.38Å; V955-Q959 VanDerWaalsContact O-CG 3.31Å; V955-Q959 WeakPolarHBondContact O-CG 3.5Å; V955-Q959 PolarHBondContact O-N 3.37Å; A956-Q959 PolarHBondContact O-N 3.17Å; A957-Q959 PolarHBondContact O-N 3.42Å; Q959-C962 PolarHBondContact O-N 2.99Å; Q959-L963 WeakPolarHBondContact O-CB 3.45Å; Q959-L963 PolarHBondContact O-N 3.46Å; Q959-L1006 HydrophobicContact CB-CD1 4.22Å; Q959-L1006 HydrophobicContact CG-CD1 4.3Å |
| 960 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -69.1 | -35.1 | 179.9 | -72.1 | 167 | 0 | 0 | 0 | 112.9 | L937 M943 T945 A956 A957 S958 L963 G964 C965 L968 I969 | L937-L960 HydrophobicContact CD2-CD2 4Å; M943-L960 HydrophobicContact CE-CD1 4.37Å; M943-L960 HydrophobicContact CE-CG 4.31Å; M943-L960 VanDerWaalsContact O-CD1 3.23Å; M943-L960 WeakPolarHBondContact O-CD1 3.46Å; T945-L960 HydrophobicContact CG2-CD1 3.58Å; A956-L960 WeakPolarHBondContact O-CB 3.47Å; A956-L960 WeakPolarHBondContact O-CD1 3.41Å; A956-L960 VanDerWaalsContact O-CG 3.26Å; A956-L960 WeakPolarHBondContact O-CG 3.24Å; A956-L960 PolarHBondContact O-N 3.37Å; A957-L960 PolarHBondContact O-N 2.98Å; S958-L960 VanDerWaalsContact C-N 3.35Å; S958-L960 PolarHBondContact O-N 3.43Å; L960-L963 CarbonylContact O-C 3.4Å; L960-L963 PolarHBondContact O-N 2.95Å; L960-G964 PolarHBondContact O-N 3.49Å; L960-C965 HydrophobicContact CD2-CB 4.09Å; L960-C965 PolarHBondContact O-N 3.45Å; L960-L968 HydrophobicContact CD1-CB 4.09Å; L960-L968 HydrophobicContact CD2-CB 4.37Å; L960-L968 HydrophobicContact CD2-CD1 4.02Å; L960-I969 HydrophobicContact CB-CD1 4.02Å; L960-I969 HydrophobicContact CB-CG1 4.03Å; L960-I969 HydrophobicContact CD1-CG1 4.1Å |
| 961 | T | 98.7 | Very high | 98.6 | Very high | 37 Ų | 37 | 23.3 Ų | 23.3 | 23% | 0.227 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -46.9 | 172.9 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | E682 A957 S958 L963 G964 L966 I969 | E682-T961 HydrophobicContact CG-CG2 3.83Å; A957-T961 PolarHBondContact O-N 3.31Å; A957-T961 PolarHBondContact O-OG1 3.4Å; A957-T961 VanDerWaalsContact O-OG1 3.13Å; S958-T961 PolarHBondContact O-N 3Å; T961-L963 VanDerWaalsContact C-N 3.26Å; T961-L963 PolarHBondContact O-N 3.23Å; T961-G964 WeakPolarHBondContact O-CA 3.35Å; T961-G964 PolarHBondContact O-N 3.24Å; T961-L966 HydrophobicContact CG2-CD2 4Å; T961-L966 WeakPolarHBondContact OG1-CD2 3.39Å; T961-I969 WeakPolarHBondContact OG1-CD1 3.31Å |
| 962 | C | 98.6 | Very high | 98.6 | Very high | 12 Ų | 12 | 26.8 Ų | 26.8 | 8% | 0.081 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -34.1 | 173.7 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | H701 T702 S958 Q959 G964 S1004 L1006 | H701-C962 HydrophobicContact CB-CB 4.38Å; T702-C962 HydrophobicContact CG2-CB 3.61Å; S958-C962 WeakPolarHBondContact O-CB 3.41Å; S958-C962 PolarHBondContact O-N 3.19Å; Q959-C962 PolarHBondContact O-N 2.99Å; C962-G964 VanDerWaalsContact C-N 3.26Å; C962-G964 PolarHBondContact O-N 3.36Å; C962-S1004 WeakPolarHBondContact O-CB 3.41Å; C962-S1004 PolarHBondContact O-OG 3.39Å; C962-L1006 HydrophobicContact CB-CD1 4.24Å; C962-L1006 PolarHBondContact SG-N 3.02Å |
| 963 | L | 98.4 | Very high | 98.6 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -72.1 | -18.6 | 173.3 | -164.2 | 65.7 | 0 | 0 | 0 | 113.3 | L937 Q959 L960 T961 C965 V997 Q1000 R1001 L1006 | L937-L963 HydrophobicContact CD1-CD2 4.32Å; L937-L963 HydrophobicContact CD2-CD2 3.83Å; Q959-L963 WeakPolarHBondContact O-CB 3.45Å; Q959-L963 PolarHBondContact O-N 3.46Å; L960-L963 CarbonylContact O-C 3.4Å; L960-L963 PolarHBondContact O-N 2.95Å; T961-L963 VanDerWaalsContact C-N 3.26Å; T961-L963 PolarHBondContact O-N 3.23Å; L963-C965 HydrophobicContact CD2-CB 4.49Å; L963-V997 HydrophobicContact CD2-CB 4.44Å; L963-V997 HydrophobicContact CD2-CG1 4.01Å; L963-V997 HydrophobicContact CD2-CG2 4.25Å; L963-Q1000 VanDerWaalsContact CD1-C 3.46Å; L963-Q1000 HydrophobicContact CD1-CB 3.66Å; L963-Q1000 HydrophobicContact CG-CB 3.92Å; L963-Q1000 VanDerWaalsContact O-CB 3.28Å; L963-Q1000 WeakPolarHBondContact O-CB 3.15Å; L963-Q1000 WeakPolarHBondContact O-CG 3.29Å; L963-R1001 HydrophobicContact CD1-CB 4.32Å; L963-L1006 HydrophobicContact CB-CD2 4.15Å; L963-L1006 HydrophobicContact CD1-CD2 4.02Å |
| 964 | G | 97.7 | Very high | 98.6 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 31% | 0.309 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.5 | 26.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | L960 T961 C962 K996 | L960-G964 PolarHBondContact O-N 3.49Å; T961-G964 WeakPolarHBondContact O-CA 3.35Å; T961-G964 PolarHBondContact O-N 3.24Å; C962-G964 VanDerWaalsContact C-N 3.26Å; C962-G964 PolarHBondContact O-N 3.36Å; G964-K996 WeakPolarHBondContact O-CE 3.45Å; G964-K996 PolarHBondContact O-NZ 3.12Å |
| 965 | C | 98.1 | Very high | 98.6 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.188 | C | C | . | . | trans | -110.7 | 52.4 | -177.3 | -74.4 | 0 | 0 | 0 | 0 | 112.7 | L960 L963 E967 L968 | L960-C965 HydrophobicContact CD2-CB 4.09Å; L960-C965 PolarHBondContact O-N 3.45Å; L963-C965 HydrophobicContact CD2-CB 4.49Å; C965-E967 VanDerWaalsContact C-OE2 3.25Å; C965-E967 WeakPolarHBondContact CA-OE2 3.47Å; C965-E967 PolarHBondContact O-N 3.39Å; C965-E967 VanDerWaalsContact O-N 3.17Å; C965-L968 HydrophobicContact CB-CD1 4Å; C965-L968 HydrophobicContact CB-CG 4.38Å; C965-L968 WeakPolarHBondContact O-CB 3.43Å; C965-L968 PolarHBondContact O-N 3.49Å; C965-L968 VanDerWaalsContact O-N 3.11Å | ||
| 966 | L | 98.4 | Very high | 98.6 | Very high | 108 Ų | 108 | 37.9 Ų | 37.9 | 57% | 0.565 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -58.7 | -27.7 | -177.7 | -57.9 | 178.5 | 0 | 0 | 0 | 113.8 | T961 L968 I969 | T961-L966 HydrophobicContact CG2-CD2 4Å; T961-L966 WeakPolarHBondContact OG1-CD2 3.39Å; L966-L968 PolarHBondContact O-N 3.39Å; L966-L968 VanDerWaalsContact O-N 3.09Å; L966-I969 HydrophobicContact CD2-CD1 4.11Å; L966-I969 PolarHBondContact O-N 3.14Å; L966-I969 VanDerWaalsContact O-N 3.14Å |
| 967 | E | 98.2 | Very high | 98.6 | Very high | 56 Ų | 56 | 38.7 Ų | 38.7 | 26% | 0.262 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -66.6 | -5.5 | 177.8 | 64.8 | -93.3 | -137 | 0 | 0 | 114.4 | C965 I993 K996 | C965-E967 VanDerWaalsContact C-OE2 3.25Å; C965-E967 WeakPolarHBondContact CA-OE2 3.47Å; C965-E967 PolarHBondContact O-N 3.39Å; C965-E967 VanDerWaalsContact O-N 3.17Å; E967-I993 HydrophobicContact CG-CD1 3.76Å; E967-I993 VanDerWaalsContact OE1-CD1 3.27Å; E967-I993 WeakPolarHBondContact OE1-CD1 3.35Å; E967-K996 VanDerWaalsContact OE1-CD 3.25Å; E967-K996 WeakPolarHBondContact OE1-CD 3.43Å; E967-K996 IonicContact OE1-NZ 3.65Å; E967-K996 PolarHBondContact OE1-NZ 3.23Å; E967-K996 IonicContact OE2-NZ 3.64Å; E967-K996 PolarHBondContact OE2-NZ 3.22Å |
| 968 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -102.4 | 2.4 | 176.8 | -58.6 | -179.5 | 0 | 0 | 0 | 113.4 | P942 M943 V944 T945 L960 C965 L966 I979 L983 I993 V997 | P942-L968 HydrophobicContact CB-CD1 3.81Å; M943-L968 VanDerWaalsContact O-CB 3.29Å; M943-L968 WeakPolarHBondContact O-CB 3.5Å; V944-L968 WeakPolarHBondContact CA-O 3.39Å; V944-L968 HydrophobicContact CG2-CD2 4.45Å; T945-L968 PolarHBondContact N-O 3.43Å; T945-L968 VanDerWaalsContact N-O 3.07Å; L960-L968 HydrophobicContact CD1-CB 4.09Å; L960-L968 HydrophobicContact CD2-CB 4.37Å; L960-L968 HydrophobicContact CD2-CD1 4.02Å; C965-L968 HydrophobicContact CB-CD1 4Å; C965-L968 HydrophobicContact CB-CG 4.38Å; C965-L968 WeakPolarHBondContact O-CB 3.43Å; C965-L968 PolarHBondContact O-N 3.49Å; C965-L968 VanDerWaalsContact O-N 3.11Å; L966-L968 PolarHBondContact O-N 3.39Å; L966-L968 VanDerWaalsContact O-N 3.09Å; L968-I979 HydrophobicContact CD2-CG2 4.19Å; L968-L983 HydrophobicContact CD2-CD1 3.8Å; L968-I993 HydrophobicContact CD1-CG2 4.06Å; L968-I993 HydrophobicContact CD2-CG2 3.98Å; L968-I993 HydrophobicContact CG-CG2 4.39Å; L968-V997 HydrophobicContact CD1-CG2 4.46Å |
| 969 | I | 98.9 | Very high | 98.6 | Very high | 29 Ų | 29 | 42.5 Ų | 42.5 | 15% | 0.149 | 21% | 0.211 | C | C | . | . | B | Isolated β-bridge | trans | -104.4 | 105.9 | -177.5 | -52.1 | 177 | 0 | 0 | 0 | 108.8 | T945 P947 A957 L960 T961 L966 | T945-I969 HydrophobicContact CG2-CG1 4.45Å; P947-I969 HydrophobicContact CG-CG2 3.81Å; A957-I969 HydrophobicContact CB-CD1 4.21Å; A957-I969 HydrophobicContact CB-CG1 4.49Å; A957-I969 HydrophobicContact CB-CG2 3.94Å; A957-I969 WeakPolarHBondContact O-CD1 3.32Å; L960-I969 HydrophobicContact CB-CD1 4.02Å; L960-I969 HydrophobicContact CB-CG1 4.03Å; L960-I969 HydrophobicContact CD1-CG1 4.1Å; T961-I969 WeakPolarHBondContact OG1-CD1 3.31Å; L966-I969 HydrophobicContact CD2-CD1 4.11Å; L966-I969 PolarHBondContact O-N 3.14Å; L966-I969 VanDerWaalsContact O-N 3.14Å |
| 970 | A | 98.8 | Very high | 98.6 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -84.3 | 140.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | T945 M946 P947 E975 Y976 I979 | T945-A970 WeakPolarHBondContact O-CB 3.32Å; T945-A970 PolarHBondContact O-N 2.85Å; M946-A970 WeakPolarHBondContact CA-O 3.41Å; M946-A970 HydrophobicContact CB-CB 4.31Å; P947-A970 WeakPolarHBondContact CD-O 3.36Å; A970-E975 HydrophobicContact CB-CB 4.13Å; A970-E975 HydrophobicContact CB-CG 4.23Å; A970-Y976 HydrophobicContact CB-CD2 4.33Å; A970-Y976 HydrophobicContact CB-CG 4.48Å; A970-Y976 VanDerWaalsContact CB-N 3.27Å; A970-I979 HydrophobicContact CB-CD1 4.08Å | ||
| 971 | K | 98.5 | Very high | 98.6 | Very high | 162 Ų | 162 | 43.2 Ų | 43.2 | 70% | 0.704 | 22% | 0.216 | S | C | * | . | S | Bend | trans | -86.9 | -18.5 | 177.4 | -57.3 | 172.6 | -157.5 | 72.3 | 0 | 112.9 | E975 | K971-E975 WeakPolarHBondContact CB-OE2 3.42Å; K971-E975 VanDerWaalsContact CG-OE2 3.28Å; K971-E975 WeakPolarHBondContact CG-OE2 3.13Å; K971-E975 PolarHBondContact N-OE2 2.97Å; K971-E975 IonicContact NZ-OE1 3.83Å; K971-E975 PolarHBondContact NZ-OE1 3.18Å; K971-E975 IonicContact NZ-OE2 2.83Å; K971-E975 PolarHBondContact NZ-OE2 3.46Å |
| 972 | N | 98.6 | Very high | 98.6 | Very high | 79 Ų | 79 | 46.1 Ų | 46.1 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | S | Bend | trans | -155.9 | 172.7 | -179.4 | 60.9 | 63.2 | 0 | 0 | 0 | 110.7 | Q974 E975 Y976 | N972-Q974 VanDerWaalsContact C-N 3.3Å; N972-Q974 PolarHBondContact O-N 2.98Å; N972-Q974 WeakPolarHBondContact OD1-CB 3.25Å; N972-Q974 PolarHBondContact OD1-N 3.48Å; N972-Q974 VanDerWaalsContact OD1-N 3.1Å; N972-E975 PolarHBondContact O-N 3.43Å; N972-E975 PolarHBondContact OD1-N 3.22Å; N972-Y976 PolarHBondContact O-N 3.49Å |
| 973 | R | 98.7 | Very high | 98.6 | Very high | 121 Ų | 121 | 45.5 Ų | 45.5 | 46% | 0.457 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -60.2 | -38.1 | -175.7 | -58.9 | -171 | -152.5 | -84 | 1.8 | 112.8 | M860 M946 Y976 E977 | M860-R973 HydrophobicContact CG-CB 4.24Å; M860-R973 HydrophobicContact CG-CG 4.48Å; M860-R973 HydrophobicContact SD-CB 3.53Å; M860-R973 VanDerWaalsContact SD-CB 3.53Å; M860-R973 HydrophobicContact SD-CG 3.58Å; M860-R973 VanDerWaalsContact SD-CG 3.58Å; M946-R973 HydrophobicContact CE-CG 4.09Å; M946-R973 HydrophobicContact SD-CB 4.48Å; M946-R973 HydrophobicContact SD-CG 3.94Å; M946-R973 PolarHBondContact SD-N 3.46Å; R973-Y976 WeakPolarHBondContact O-CB 3.39Å; R973-Y976 PolarHBondContact O-N 3.08Å; R973-E977 WeakPolarHBondContact O-CG 3.47Å; R973-E977 PolarHBondContact O-N 2.75Å |
| 974 | Q | 98.7 | Very high | 98.6 | Very high | 102 Ų | 102 | 45.8 Ų | 45.8 | 48% | 0.477 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -66.4 | -47 | 179.8 | -174.9 | 60.2 | 55.8 | 0 | 0 | 111 | N972 Y976 E977 D978 | N972-Q974 VanDerWaalsContact C-N 3.3Å; N972-Q974 PolarHBondContact O-N 2.98Å; N972-Q974 WeakPolarHBondContact OD1-CB 3.25Å; N972-Q974 PolarHBondContact OD1-N 3.48Å; N972-Q974 VanDerWaalsContact OD1-N 3.1Å; Q974-Y976 VanDerWaalsContact C-N 3.27Å; Q974-Y976 PolarHBondContact O-N 3.35Å; Q974-E977 PolarHBondContact O-N 2.99Å; Q974-D978 PolarHBondContact NE2-OD1 2.97Å; Q974-D978 PolarHBondContact NE2-OD2 2.86Å; Q974-D978 WeakPolarHBondContact O-CB 3.44Å; Q974-D978 PolarHBondContact O-N 3.26Å |
| 975 | E | 98.8 | Very high | 98.7 | Very high | 56 Ų | 56 | 48.2 Ų | 48.2 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -62.6 | -36.2 | 176.3 | -169.6 | 175 | -159.9 | 0 | 0 | 111.4 | A970 K971 N972 D978 I979 | A970-E975 HydrophobicContact CB-CB 4.13Å; A970-E975 HydrophobicContact CB-CG 4.23Å; K971-E975 WeakPolarHBondContact CB-OE2 3.42Å; K971-E975 VanDerWaalsContact CG-OE2 3.28Å; K971-E975 WeakPolarHBondContact CG-OE2 3.13Å; K971-E975 PolarHBondContact N-OE2 2.97Å; K971-E975 IonicContact NZ-OE1 3.83Å; K971-E975 PolarHBondContact NZ-OE1 3.18Å; K971-E975 IonicContact NZ-OE2 2.83Å; K971-E975 PolarHBondContact NZ-OE2 3.46Å; N972-E975 PolarHBondContact O-N 3.43Å; N972-E975 PolarHBondContact OD1-N 3.22Å; E975-D978 PolarHBondContact O-N 2.85Å; E975-I979 HydrophobicContact CG-CD1 3.94Å; E975-I979 HydrophobicContact CG-CG1 4.37Å; E975-I979 WeakPolarHBondContact O-CB 3.45Å; E975-I979 VanDerWaalsContact O-CG1 3.23Å; E975-I979 WeakPolarHBondContact O-CG1 3.43Å; E975-I979 PolarHBondContact O-N 3.48Å |
| 976 | Y | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -49.4 | 174.7 | -179 | -81.7 | 0 | 0 | 0 | 111.3 | M860 W861 I864 L922 D923 V944 M946 A970 N972 R973 Q974 A980 | M860-Y976 HydrophobicContact CE-CD1 4.05Å; M860-Y976 HydrophobicContact CE-CE1 4.2Å; M860-Y976 HydrophobicContact CE-CG 4.42Å; M860-Y976 HydrophobicContact SD-CD1 4.08Å; M860-Y976 HydrophobicContact SD-CG 4.4Å; W861-Y976 PolarHBondContact NE1-OH 2.75Å; I864-Y976 HydrophobicContact CD1-CD1 4.06Å; I864-Y976 HydrophobicContact CD1-CE1 3.78Å; L922-Y976 VanDerWaalsContact C-OH 3.22Å; L922-Y976 WeakPolarHBondContact CA-OH 3.49Å; L922-Y976 VanDerWaalsContact CB-OH 3.23Å; L922-Y976 WeakPolarHBondContact CB-OH 3.5Å; L922-Y976 HydrophobicContact CD2-CE1 4.37Å; D923-Y976 PolarHBondContact N-OH 3.44Å; D923-Y976 PolarHBondContact O-OH 3Å; V944-Y976 HydrophobicContact CB-CE2 4.25Å; V944-Y976 HydrophobicContact CG1-CD2 3.74Å; V944-Y976 HydrophobicContact CG1-CE2 3.79Å; V944-Y976 HydrophobicContact CG1-CG 4.24Å; V944-Y976 WeakPolarHBondContact O-CE2 3.44Å; M946-Y976 HydrophobicContact CB-CD2 3.87Å; A970-Y976 HydrophobicContact CB-CD2 4.33Å; A970-Y976 HydrophobicContact CB-CG 4.48Å; A970-Y976 VanDerWaalsContact CB-N 3.27Å; N972-Y976 PolarHBondContact O-N 3.49Å; R973-Y976 WeakPolarHBondContact O-CB 3.39Å; R973-Y976 PolarHBondContact O-N 3.08Å; Q974-Y976 VanDerWaalsContact C-N 3.27Å; Q974-Y976 PolarHBondContact O-N 3.35Å; Y976-A980 WeakPolarHBondContact O-CB 3.42Å; Y976-A980 PolarHBondContact O-N 3.22Å; Y976-A980 VanDerWaalsContact O-N 3.13Å |
| 977 | E | 98.9 | Very high | 98.4 | Very high | 16 Ų | 16 | 51.2 Ų | 51.2 | 8% | 0.075 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.3 | -41.3 | 176.4 | -66.3 | 180 | -164.4 | 0 | 0 | 111.9 | M860 N863 I864 R867 R973 Q974 A980 V981 | M860-E977 HydrophobicContact CB-CG 4.17Å; M860-E977 HydrophobicContact CG-CG 4.44Å; N863-E977 HydrophobicContact CB-CG 4.47Å; N863-E977 VanDerWaalsContact CB-OE2 3.31Å; N863-E977 WeakPolarHBondContact CB-OE2 3.42Å; N863-E977 PolarHBondContact ND2-OE1 2.68Å; I864-E977 HydrophobicContact CD1-CG 4.37Å; I864-E977 HydrophobicContact CG1-CB 4.05Å; I864-E977 HydrophobicContact CG1-CG 4.05Å; R867-E977 IonicContact NH1-OE2 3.73Å; R973-E977 WeakPolarHBondContact O-CG 3.47Å; R973-E977 PolarHBondContact O-N 2.75Å; Q974-E977 PolarHBondContact O-N 2.99Å; E977-A980 PolarHBondContact O-N 3Å; E977-V981 WeakPolarHBondContact O-CB 3.32Å; E977-V981 WeakPolarHBondContact O-CG2 3.5Å; E977-V981 PolarHBondContact O-N 3.09Å |
| 978 | D | 98.9 | Very high | 98.2 | Very high | 63 Ų | 63 | 53.1 Ų | 53.1 | 34% | 0.337 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.9 | -41.7 | -177.8 | -67.7 | -23.1 | 0 | 0 | 0 | 112.6 | R867 Q974 E975 K982 | R867-D978 IonicContact CZ-OD1 2.83Å; R867-D978 VanDerWaalsContact CZ-OD1 3.24Å; R867-D978 IonicContact NH1-OD1 3.32Å; R867-D978 PolarHBondContact NH1-OD1 3.23Å; R867-D978 IonicContact NH2-OD1 3.83Å; R867-D978 PolarHBondContact NH2-OD1 3.32Å; Q974-D978 PolarHBondContact NE2-OD1 2.97Å; Q974-D978 PolarHBondContact NE2-OD2 2.86Å; Q974-D978 WeakPolarHBondContact O-CB 3.44Å; Q974-D978 PolarHBondContact O-N 3.26Å; E975-D978 PolarHBondContact O-N 2.85Å; D978-K982 VanDerWaalsContact O-CB 3.26Å; D978-K982 WeakPolarHBondContact O-CB 3.45Å; D978-K982 PolarHBondContact O-N 2.85Å |
| 979 | I | 98.9 | Very high | 98 | Very high | 21 Ų | 21 | 55 Ų | 55 | 11% | 0.108 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61 | -48.8 | 173.8 | -68.6 | 166.3 | 0 | 0 | 0 | 109.8 | V944 L968 A970 E975 K982 L983 | V944-I979 HydrophobicContact CG1-CB 4.18Å; V944-I979 HydrophobicContact CG1-CG2 3.92Å; V944-I979 HydrophobicContact CG2-CG2 3.8Å; L968-I979 HydrophobicContact CD2-CG2 4.19Å; A970-I979 HydrophobicContact CB-CD1 4.08Å; E975-I979 HydrophobicContact CG-CD1 3.94Å; E975-I979 HydrophobicContact CG-CG1 4.37Å; E975-I979 WeakPolarHBondContact O-CB 3.45Å; E975-I979 VanDerWaalsContact O-CG1 3.23Å; E975-I979 WeakPolarHBondContact O-CG1 3.43Å; E975-I979 PolarHBondContact O-N 3.48Å; I979-K982 PolarHBondContact O-N 2.96Å; I979-L983 HydrophobicContact CG2-CD1 3.98Å; I979-L983 WeakPolarHBondContact O-CG 3.44Å; I979-L983 PolarHBondContact O-N 3.38Å |
| 980 | A | 98.9 | Very high | 97.9 | Very high | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.7 | -49.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y844 I864 L922 Y976 E977 K982 L983 G984 | Y844-A980 HydrophobicContact CE1-CB 4.27Å; Y844-A980 PolarHBondContact OH-O 3.31Å; I864-A980 HydrophobicContact CD1-CB 3.53Å; I864-A980 HydrophobicContact CG1-CB 3.89Å; I864-A980 HydrophobicContact CG2-CB 3.99Å; L922-A980 HydrophobicContact CD2-CB 3.69Å; Y976-A980 WeakPolarHBondContact O-CB 3.42Å; Y976-A980 PolarHBondContact O-N 3.22Å; Y976-A980 VanDerWaalsContact O-N 3.13Å; E977-A980 PolarHBondContact O-N 3Å; A980-K982 VanDerWaalsContact C-N 3.34Å; A980-K982 PolarHBondContact O-N 3.16Å; A980-L983 WeakPolarHBondContact O-CB 3.4Å; A980-L983 PolarHBondContact O-N 3.5Å; A980-L983 VanDerWaalsContact O-N 3.15Å; A980-G984 PolarHBondContact O-N 2.93Å |
| 981 | V | 98.9 | Very high | 97.7 | Very high | 15 Ų | 15 | 58.7 Ų | 58.7 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -62.5 | -40.6 | 179.7 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | I864 R867 V868 E977 G984 T985 | I864-V981 HydrophobicContact CB-CG2 4.36Å; I864-V981 HydrophobicContact CG1-CG2 4.31Å; I864-V981 HydrophobicContact CG2-CG2 4.17Å; R867-V981 HydrophobicContact CB-CG1 4.08Å; R867-V981 HydrophobicContact CB-CG2 3.62Å; R867-V981 HydrophobicContact CG-CG2 4.45Å; V868-V981 HydrophobicContact CG2-CB 4.25Å; V868-V981 HydrophobicContact CG2-CG1 4.09Å; V868-V981 HydrophobicContact CG2-CG2 4.06Å; E977-V981 WeakPolarHBondContact O-CB 3.32Å; E977-V981 WeakPolarHBondContact O-CG2 3.5Å; E977-V981 PolarHBondContact O-N 3.09Å; V981-G984 CarbonylContact O-C 3.57Å; V981-G984 PolarHBondContact O-N 2.94Å; V981-G984 VanDerWaalsContact O-N 3.16Å; V981-T985 HydrophobicContact CG1-CG2 4.33Å; V981-T985 WeakPolarHBondContact O-CB 3.45Å; V981-T985 WeakPolarHBondContact O-CG2 3.43Å; V981-T985 PolarHBondContact O-N 3.24Å; V981-T985 PolarHBondContact O-OG1 3.24Å |
| 982 | K | 98.8 | Very high | 97.5 | Very high | 97 Ų | 97 | 54.9 Ų | 54.9 | 42% | 0.422 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -59 | -47 | 173.3 | -174.6 | 177.9 | -179.4 | 179.2 | 0 | 111.2 | D978 I979 A980 G984 T985 D986 Y989 | D978-K982 VanDerWaalsContact O-CB 3.26Å; D978-K982 WeakPolarHBondContact O-CB 3.45Å; D978-K982 PolarHBondContact O-N 2.85Å; I979-K982 PolarHBondContact O-N 2.96Å; A980-K982 VanDerWaalsContact C-N 3.34Å; A980-K982 PolarHBondContact O-N 3.16Å; K982-G984 VanDerWaalsContact C-N 3.25Å; K982-G984 PolarHBondContact O-N 2.94Å; K982-T985 PolarHBondContact O-N 3.22Å; K982-D986 HydrophobicContact CG-CB 4.39Å; K982-D986 WeakPolarHBondContact O-CB 3.49Å; K982-D986 PolarHBondContact O-N 2.98Å; K982-Y989 HydrophobicContact CD-CD1 3.98Å; K982-Y989 HydrophobicContact CD-CE1 3.91Å; K982-Y989 HydrophobicContact CD-CG 4.49Å; K982-Y989 HydrophobicContact CG-CD1 3.85Å; K982-Y989 HydrophobicContact CG-CE1 4.15Å; K982-Y989 HydrophobicContact CG-CG 4.49Å |
| 983 | L | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -63.2 | -29.9 | 175.9 | -70.5 | 164 | 0 | 0 | 0 | 113 | V920 V944 L968 I979 A980 Y989 L990 I993 | V920-L983 HydrophobicContact CG1-CD1 3.99Å; V920-L983 HydrophobicContact CG2-CB 3.68Å; V920-L983 HydrophobicContact CG2-CD1 4.09Å; V920-L983 HydrophobicContact CG2-CG 4.39Å; V944-L983 HydrophobicContact CG2-CD1 3.64Å; L968-L983 HydrophobicContact CD2-CD1 3.8Å; I979-L983 HydrophobicContact CG2-CD1 3.98Å; I979-L983 WeakPolarHBondContact O-CG 3.44Å; I979-L983 PolarHBondContact O-N 3.38Å; A980-L983 WeakPolarHBondContact O-CB 3.4Å; A980-L983 PolarHBondContact O-N 3.5Å; A980-L983 VanDerWaalsContact O-N 3.15Å; L983-Y989 HydrophobicContact CD2-CD1 3.79Å; L983-Y989 HydrophobicContact CD2-CE1 3.72Å; L983-Y989 HydrophobicContact CG-CD1 4.34Å; L983-Y989 HydrophobicContact CG-CE1 4.14Å; L983-L990 HydrophobicContact CB-CD1 4.33Å; L983-L990 HydrophobicContact CD2-CD1 4.13Å; L983-L990 WeakPolarHBondContact O-CB 3.34Å; L983-I993 HydrophobicContact CD2-CB 4Å; L983-I993 HydrophobicContact CD2-CG1 3.97Å; L983-I993 HydrophobicContact CD2-CG2 4.11Å |
| 984 | G | 98.4 | Very high | 97.3 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -86 | -7.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | I842 Y844 V868 A980 V981 K982 | I842-G984 WeakPolarHBondContact CG1-O 3.45Å; Y844-G984 VanDerWaalsContact OH-CA 3.3Å; Y844-G984 WeakPolarHBondContact OH-CA 3.42Å; V868-G984 WeakPolarHBondContact CG1-O 3.43Å; A980-G984 PolarHBondContact O-N 2.93Å; V981-G984 CarbonylContact O-C 3.57Å; V981-G984 PolarHBondContact O-N 2.94Å; V981-G984 VanDerWaalsContact O-N 3.16Å; K982-G984 VanDerWaalsContact C-N 3.25Å; K982-G984 PolarHBondContact O-N 2.94Å |
| 985 | T | 98.2 | Very high | 97.1 | Very high | 82 Ų | 82 | 40.9 Ų | 40.9 | 50% | 0.503 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -123 | -36.9 | -175.5 | 51.8 | 0 | 0 | 0 | 0 | 113 | V868 V981 K982 L987 | V868-T985 HydrophobicContact CG1-CG2 4.32Å; V868-T985 HydrophobicContact CG2-CG2 3.96Å; V981-T985 HydrophobicContact CG1-CG2 4.33Å; V981-T985 WeakPolarHBondContact O-CB 3.45Å; V981-T985 WeakPolarHBondContact O-CG2 3.43Å; V981-T985 PolarHBondContact O-N 3.24Å; V981-T985 PolarHBondContact O-OG1 3.24Å; K982-T985 PolarHBondContact O-N 3.22Å; T985-L987 PolarHBondContact O-N 3.41Å |
| 986 | D | 97.4 | Very high | 96.9 | Very high | 69 Ų | 69 | 40 Ų | 40 | 37% | 0.369 | 20% | 0.197 | S | C | . | . | trans | -92.6 | 90 | 174.7 | -175.9 | -14.2 | 0 | 0 | 0 | 109.6 | K982 E988 Y989 L990 | K982-D986 HydrophobicContact CG-CB 4.39Å; K982-D986 WeakPolarHBondContact O-CB 3.49Å; K982-D986 PolarHBondContact O-N 2.98Å; D986-E988 VanDerWaalsContact C-N 3.28Å; D986-E988 PolarHBondContact O-N 3.44Å; D986-E988 PolarHBondContact OD1-N 2.93Å; D986-Y989 WeakPolarHBondContact O-CB 3.48Å; D986-Y989 PolarHBondContact O-N 3.2Å; D986-Y989 WeakPolarHBondContact OD1-CB 3.33Å; D986-Y989 PolarHBondContact OD1-N 3.49Å; D986-Y989 WeakPolarHBondContact OD2-CB 3.34Å; D986-L990 PolarHBondContact O-N 2.67Å | ||
| 987 | L | 93.4 | Very high | 96.8 | Very high | 101 Ų | 101 | 40 Ų | 40 | 53% | 0.529 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -65.3 | -28.4 | -175.7 | -59.5 | -176 | 0 | 0 | 0 | 113.3 | I842 T985 L990 K991 | I842-L987 HydrophobicContact CD1-CD2 3.92Å; T985-L987 PolarHBondContact O-N 3.41Å; L987-L990 HydrophobicContact CD2-CD2 4.44Å; L987-K991 VanDerWaalsContact O-CB 3.29Å; L987-K991 WeakPolarHBondContact O-CB 3.39Å; L987-K991 PolarHBondContact O-N 2.92Å |
| 988 | E | 93.2 | Very high | 96.7 | Very high | 97 Ų | 97 | 39.8 Ų | 39.8 | 45% | 0.453 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -73.8 | -38.5 | 175 | -80.8 | -65.7 | 118.3 | 0 | 0 | 110.9 | K757 D986 K991 K992 | K757-E988 IonicContact NZ-OE2 2.75Å; K757-E988 PolarHBondContact NZ-OE2 3.18Å; D986-E988 VanDerWaalsContact C-N 3.28Å; D986-E988 PolarHBondContact O-N 3.44Å; D986-E988 PolarHBondContact OD1-N 2.93Å; E988-K991 PolarHBondContact O-N 3.25Å; E988-K992 WeakPolarHBondContact O-CB 3.43Å; E988-K992 PolarHBondContact O-N 3.15Å |
| 989 | Y | 96.1 | Very high | 96.6 | Very high | 40 Ų | 40 | 40.5 Ų | 40.5 | 16% | 0.157 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 171 | -175.9 | -107.6 | 0 | 0 | 0 | 111.5 | K982 L983 D986 K991 K992 I993 | K982-Y989 HydrophobicContact CD-CD1 3.98Å; K982-Y989 HydrophobicContact CD-CE1 3.91Å; K982-Y989 HydrophobicContact CD-CG 4.49Å; K982-Y989 HydrophobicContact CG-CD1 3.85Å; K982-Y989 HydrophobicContact CG-CE1 4.15Å; K982-Y989 HydrophobicContact CG-CG 4.49Å; L983-Y989 HydrophobicContact CD2-CD1 3.79Å; L983-Y989 HydrophobicContact CD2-CE1 3.72Å; L983-Y989 HydrophobicContact CG-CD1 4.34Å; L983-Y989 HydrophobicContact CG-CE1 4.14Å; D986-Y989 WeakPolarHBondContact O-CB 3.48Å; D986-Y989 PolarHBondContact O-N 3.2Å; D986-Y989 WeakPolarHBondContact OD1-CB 3.33Å; D986-Y989 PolarHBondContact OD1-N 3.49Å; D986-Y989 WeakPolarHBondContact OD2-CB 3.34Å; Y989-K991 VanDerWaalsContact C-N 3.33Å; Y989-K991 PolarHBondContact O-N 3.25Å; Y989-K992 WeakPolarHBondContact O-CB 3.46Å; Y989-K992 PolarHBondContact O-N 3.3Å; Y989-K992 VanDerWaalsContact O-N 3.16Å; Y989-I993 HydrophobicContact CD1-CG1 4.15Å; Y989-I993 HydrophobicContact CD2-CG1 4.34Å; Y989-I993 HydrophobicContact CE1-CD1 4.42Å; Y989-I993 HydrophobicContact CE1-CG1 3.77Å; Y989-I993 HydrophobicContact CE2-CD1 3.94Å; Y989-I993 HydrophobicContact CE2-CG1 3.97Å; Y989-I993 HydrophobicContact CG-CG1 4.42Å; Y989-I993 WeakPolarHBondContact O-CG1 3.48Å; Y989-I993 PolarHBondContact O-N 3.03Å |
| 990 | L | 96.5 | Very high | 96.4 | Very high | 9 Ų | 9 | 42 Ų | 42 | 5% | 0.047 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -54 | -50.1 | 174.1 | 177.7 | 61.3 | 0 | 0 | 0 | 111.4 | I842 D919 V920 L983 D986 L987 K992 I993 R994 | I842-L990 HydrophobicContact CD1-CD2 3.91Å; D919-L990 HydrophobicContact CB-CD2 4.1Å; V920-L990 HydrophobicContact CG2-CD1 3.73Å; L983-L990 HydrophobicContact CB-CD1 4.33Å; L983-L990 HydrophobicContact CD2-CD1 4.13Å; L983-L990 WeakPolarHBondContact O-CB 3.34Å; D986-L990 PolarHBondContact O-N 2.67Å; L987-L990 HydrophobicContact CD2-CD2 4.44Å; L990-K992 VanDerWaalsContact C-N 3.31Å; L990-K992 PolarHBondContact O-N 3.44Å; L990-I993 PolarHBondContact O-N 3.28Å; L990-R994 HydrophobicContact CD1-CG 3.97Å; L990-R994 HydrophobicContact CG-CG 4.34Å; L990-R994 WeakPolarHBondContact O-CB 3.45Å; L990-R994 VanDerWaalsContact O-CG 3.3Å; L990-R994 WeakPolarHBondContact O-CG 3.18Å; L990-R994 PolarHBondContact O-N 2.94Å |
| 991 | K | 93.8 | Very high | 96.3 | Very high | 97 Ų | 97 | 42.1 Ų | 42.1 | 42% | 0.422 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.7 | -41.8 | 178.4 | -175.2 | 177.2 | -177.9 | 176.6 | 0 | 112.2 | L987 E988 Y989 G995 | L987-K991 VanDerWaalsContact O-CB 3.29Å; L987-K991 WeakPolarHBondContact O-CB 3.39Å; L987-K991 PolarHBondContact O-N 2.92Å; E988-K991 PolarHBondContact O-N 3.25Å; Y989-K991 VanDerWaalsContact C-N 3.33Å; Y989-K991 PolarHBondContact O-N 3.25Å; K991-G995 PolarHBondContact O-N 3.35Å |
| 992 | K | 94.5 | Very high | 96.2 | Very high | 81 Ų | 81 | 45.9 Ų | 45.9 | 35% | 0.352 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.2 | -47.9 | 175.8 | 176.5 | -178.5 | 177.9 | 176.8 | 0 | 111.6 | P759 E988 Y989 L990 G995 K996 | P759-K992 HydrophobicContact CG-CD 4.27Å; P759-K992 VanDerWaalsContact CG-CE 3.43Å; P759-K992 HydrophobicContact CG-CG 3.78Å; E988-K992 WeakPolarHBondContact O-CB 3.43Å; E988-K992 PolarHBondContact O-N 3.15Å; Y989-K992 WeakPolarHBondContact O-CB 3.46Å; Y989-K992 PolarHBondContact O-N 3.3Å; Y989-K992 VanDerWaalsContact O-N 3.16Å; L990-K992 VanDerWaalsContact C-N 3.31Å; L990-K992 PolarHBondContact O-N 3.44Å; K992-G995 PolarHBondContact O-N 3.1Å; K992-K996 PolarHBondContact O-N 3Å |
| 993 | I | 96.9 | Very high | 96 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.2 | -43.3 | -179 | -63.8 | -53.4 | 0 | 0 | 0 | 111.2 | P942 E967 L968 L983 Y989 L990 G995 K996 V997 | P942-I993 HydrophobicContact CB-CG2 3.72Å; P942-I993 HydrophobicContact CG-CG2 3.67Å; E967-I993 HydrophobicContact CG-CD1 3.76Å; E967-I993 VanDerWaalsContact OE1-CD1 3.27Å; E967-I993 WeakPolarHBondContact OE1-CD1 3.35Å; L968-I993 HydrophobicContact CD1-CG2 4.06Å; L968-I993 HydrophobicContact CD2-CG2 3.98Å; L968-I993 HydrophobicContact CG-CG2 4.39Å; L983-I993 HydrophobicContact CD2-CB 4Å; L983-I993 HydrophobicContact CD2-CG1 3.97Å; L983-I993 HydrophobicContact CD2-CG2 4.11Å; Y989-I993 HydrophobicContact CD1-CG1 4.15Å; Y989-I993 HydrophobicContact CD2-CG1 4.34Å; Y989-I993 HydrophobicContact CE1-CD1 4.42Å; Y989-I993 HydrophobicContact CE1-CG1 3.77Å; Y989-I993 HydrophobicContact CE2-CD1 3.94Å; Y989-I993 HydrophobicContact CE2-CG1 3.97Å; Y989-I993 HydrophobicContact CG-CG1 4.42Å; Y989-I993 WeakPolarHBondContact O-CG1 3.48Å; Y989-I993 PolarHBondContact O-N 3.03Å; L990-I993 PolarHBondContact O-N 3.28Å; I993-G995 VanDerWaalsContact C-N 3.32Å; I993-G995 PolarHBondContact O-N 3.22Å; I993-K996 WeakPolarHBondContact O-CB 3.06Å; I993-K996 PolarHBondContact O-N 3.12Å; I993-K996 VanDerWaalsContact O-N 3.14Å; I993-V997 HydrophobicContact CG2-CG2 4.49Å; I993-V997 WeakPolarHBondContact O-CG2 3.28Å; I993-V997 PolarHBondContact O-N 2.94Å |
| 994 | R | 96.2 | Very high | 95.9 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 3% | 0.026 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -58 | -44.7 | 173.2 | -71.3 | 178.8 | 65.3 | 74.7 | 0.3 | 111.4 | D731 A918 D919 P942 L990 K996 V997 W998 | D731-R994 IonicContact OD1-CZ 3.64Å; D731-R994 IonicContact OD1-NE 3.59Å; D731-R994 PolarHBondContact OD1-NE 3.22Å; D731-R994 VanDerWaalsContact OD1-NE 3.13Å; D731-R994 IonicContact OD1-NH2 3.24Å; D731-R994 PolarHBondContact OD1-NH2 3.46Å; D731-R994 IonicContact OD2-CZ 2.93Å; D731-R994 IonicContact OD2-NE 2.66Å; D731-R994 PolarHBondContact OD2-NE 2.96Å; D731-R994 IonicContact OD2-NH2 3.4Å; D731-R994 PolarHBondContact OD2-NH2 3.19Å; A918-R994 PolarHBondContact O-NH1 3.44Å; D919-R994 PolarHBondContact O-NH1 3.2Å; P942-R994 HydrophobicContact CG-CB 4.41Å; P942-R994 HydrophobicContact CG-CG 3.65Å; L990-R994 HydrophobicContact CD1-CG 3.97Å; L990-R994 HydrophobicContact CG-CG 4.34Å; L990-R994 WeakPolarHBondContact O-CB 3.45Å; L990-R994 VanDerWaalsContact O-CG 3.3Å; L990-R994 WeakPolarHBondContact O-CG 3.18Å; L990-R994 PolarHBondContact O-N 2.94Å; R994-K996 VanDerWaalsContact C-N 3.34Å; R994-K996 PolarHBondContact O-N 3.47Å; R994-V997 PolarHBondContact O-N 3.42Å; R994-W998 WeakPolarHBondContact O-CB 3.49Å; R994-W998 PolarHBondContact O-N 2.9Å |
| 995 | G | 94.4 | Very high | 95.9 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -43.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | C758 K991 K992 I993 W998 K999 | C758-G995 PolarHBondContact SG-O 3.17Å; K991-G995 PolarHBondContact O-N 3.35Å; K992-G995 PolarHBondContact O-N 3.1Å; I993-G995 VanDerWaalsContact C-N 3.32Å; I993-G995 PolarHBondContact O-N 3.22Å; G995-W998 PolarHBondContact O-N 3.21Å; G995-K999 PolarHBondContact O-N 2.98Å |
| 996 | K | 95.6 | Very high | 95.9 | Very high | 37 Ų | 37 | 42.2 Ų | 42.2 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.6 | -53.8 | 175.9 | -170.2 | -176.3 | -179.7 | 178 | 0 | 111.8 | P759 G964 E967 K992 I993 R994 W998 K999 Q1000 | P759-K996 HydrophobicContact CG-CB 4.04Å; P759-K996 HydrophobicContact CG-CD 4.02Å; P759-K996 HydrophobicContact CG-CG 4.14Å; G964-K996 WeakPolarHBondContact O-CE 3.45Å; G964-K996 PolarHBondContact O-NZ 3.12Å; E967-K996 VanDerWaalsContact OE1-CD 3.25Å; E967-K996 WeakPolarHBondContact OE1-CD 3.43Å; E967-K996 IonicContact OE1-NZ 3.65Å; E967-K996 PolarHBondContact OE1-NZ 3.23Å; E967-K996 IonicContact OE2-NZ 3.64Å; E967-K996 PolarHBondContact OE2-NZ 3.22Å; K992-K996 PolarHBondContact O-N 3Å; I993-K996 WeakPolarHBondContact O-CB 3.06Å; I993-K996 PolarHBondContact O-N 3.12Å; I993-K996 VanDerWaalsContact O-N 3.14Å; R994-K996 VanDerWaalsContact C-N 3.34Å; R994-K996 PolarHBondContact O-N 3.47Å; K996-W998 VanDerWaalsContact C-N 3.35Å; K996-W998 PolarHBondContact O-N 3.49Å; K996-K999 PolarHBondContact O-N 2.96Å; K996-Q1000 HydrophobicContact CG-CG 4.27Å; K996-Q1000 WeakPolarHBondContact O-CB 3.47Å; K996-Q1000 VanDerWaalsContact O-CG 3.29Å; K996-Q1000 WeakPolarHBondContact O-CG 3.47Å; K996-Q1000 PolarHBondContact O-N 2.8Å |
| 997 | V | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.5 | -46.3 | 178.9 | 174.9 | 0 | 0 | 0 | 0 | 110.6 | L937 P942 L963 L968 I993 R994 K999 Q1000 R1001 | L937-V997 HydrophobicContact CD2-CG1 4.17Å; P942-V997 HydrophobicContact CB-CG2 4.22Å; P942-V997 HydrophobicContact CG-CG2 4.12Å; L963-V997 HydrophobicContact CD2-CB 4.44Å; L963-V997 HydrophobicContact CD2-CG1 4.01Å; L963-V997 HydrophobicContact CD2-CG2 4.25Å; L968-V997 HydrophobicContact CD1-CG2 4.46Å; I993-V997 HydrophobicContact CG2-CG2 4.49Å; I993-V997 WeakPolarHBondContact O-CG2 3.28Å; I993-V997 PolarHBondContact O-N 2.94Å; R994-V997 PolarHBondContact O-N 3.42Å; V997-K999 VanDerWaalsContact C-N 3.31Å; V997-K999 PolarHBondContact O-N 3.46Å; V997-Q1000 PolarHBondContact O-N 3.47Å; V997-R1001 PolarHBondContact O-N 3.13Å |
| 998 | W | 96.7 | Very high | 96.2 | Very high | 12 Ų | 12 | 37.7 Ų | 37.7 | 5% | 0.045 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.8 | -34.6 | -178 | -178.2 | -93.4 | 0 | 0 | 0 | 113.2 | L715 K718 M756 L772 A939 R994 G995 K996 R1001 | L715-W998 WeakPolarHBondContact O-CH2 3.25Å; K718-W998 HydrophobicContact CB-CH2 3.92Å; K718-W998 HydrophobicContact CB-CZ2 4.28Å; K718-W998 HydrophobicContact CD-CE3 4.48Å; K718-W998 HydrophobicContact CD-CH2 3.67Å; K718-W998 HydrophobicContact CD-CZ2 4.15Å; K718-W998 HydrophobicContact CD-CZ3 3.85Å; K718-W998 HydrophobicContact CG-CH2 3.65Å; K718-W998 HydrophobicContact CG-CZ2 3.77Å; K718-W998 HydrophobicContact CG-CZ3 4.34Å; M756-W998 HydrophobicContact CE-CB 4.13Å; M756-W998 HydrophobicContact CE-CG 3.86Å; M756-W998 VanDerWaalsContact SD-CD1 3.58Å; M756-W998 HydrophobicContact SD-CG 4.36Å; L772-W998 HydrophobicContact CD2-CG 4.35Å; A939-W998 WeakPolarHBondContact O-CZ3 3.36Å; R994-W998 WeakPolarHBondContact O-CB 3.49Å; R994-W998 PolarHBondContact O-N 2.9Å; G995-W998 PolarHBondContact O-N 3.21Å; K996-W998 VanDerWaalsContact C-N 3.35Å; K996-W998 PolarHBondContact O-N 3.49Å; W998-R1001 WeakPolarHBondContact O-CG 3.24Å; W998-R1001 PolarHBondContact O-NE 3.25Å |
| 999 | K | 95.3 | Very high | 96.5 | Very high | 77 Ų | 77 | 33.7 Ų | 33.7 | 34% | 0.335 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -74.7 | -51.1 | 171.2 | 179.1 | -178.9 | 174.6 | -175 | 0 | 111.4 | C758 L772 G995 K996 V997 R1001 I1002 S1003 | C758-K999 HydrophobicContact CB-CD 4.4Å; L772-K999 HydrophobicContact CD1-CB 4Å; L772-K999 HydrophobicContact CD1-CD 4.32Å; L772-K999 HydrophobicContact CD1-CG 3.86Å; G995-K999 PolarHBondContact O-N 2.98Å; K996-K999 PolarHBondContact O-N 2.96Å; V997-K999 VanDerWaalsContact C-N 3.31Å; V997-K999 PolarHBondContact O-N 3.46Å; K999-R1001 VanDerWaalsContact C-N 3.3Å; K999-R1001 PolarHBondContact O-N 3.44Å; K999-I1002 PolarHBondContact O-N 3.41Å; K999-I1002 VanDerWaalsContact O-N 3.1Å; K999-S1003 PolarHBondContact O-N 3.08Å; K999-S1003 PolarHBondContact O-OG 3.44Å |
| 1000 | Q | 95.8 | Very high | 96.6 | Very high | 54 Ų | 54 | 36 Ų | 36 | 25% | 0.252 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -67.3 | -27.3 | -169.6 | -72.4 | -69.3 | 28.2 | 0 | 0 | 113.8 | L963 K996 V997 I1002 S1003 S1004 | L963-Q1000 VanDerWaalsContact CD1-C 3.46Å; L963-Q1000 HydrophobicContact CD1-CB 3.66Å; L963-Q1000 HydrophobicContact CG-CB 3.92Å; L963-Q1000 VanDerWaalsContact O-CB 3.28Å; L963-Q1000 WeakPolarHBondContact O-CB 3.15Å; L963-Q1000 WeakPolarHBondContact O-CG 3.29Å; K996-Q1000 HydrophobicContact CG-CG 4.27Å; K996-Q1000 WeakPolarHBondContact O-CB 3.47Å; K996-Q1000 VanDerWaalsContact O-CG 3.29Å; K996-Q1000 WeakPolarHBondContact O-CG 3.47Å; K996-Q1000 PolarHBondContact O-N 2.8Å; V997-Q1000 PolarHBondContact O-N 3.47Å; Q1000-I1002 PolarHBondContact O-N 3.48Å; Q1000-S1003 WeakPolarHBondContact CA-OG 3.44Å; Q1000-S1003 PolarHBondContact O-N 3.25Å; Q1000-S1003 PolarHBondContact OE1-OG 3.03Å; Q1000-S1004 WeakPolarHBondContact O-CA 3.32Å; Q1000-S1004 WeakPolarHBondContact O-CB 3.2Å; Q1000-S1004 PolarHBondContact O-N 3.14Å; Q1000-S1004 PolarHBondContact O-OG 3.39Å |
| 1001 | R | 96.5 | Very high | 96.7 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.7 | -17.9 | 174.3 | 73.4 | -172.1 | 180 | 102.8 | -11.2 | 113.8 | L715 K716 W938 L963 V997 W998 K999 F1007 | L715-R1001 PolarHBondContact O-NH1 3.01Å; L715-R1001 PolarHBondContact O-NH2 3.48Å; K716-R1001 PolarHBondContact O-NH2 3.05Å; K716-R1001 VanDerWaalsContact O-NH2 3.14Å; W938-R1001 HydrophobicContact CE3-CB 4.46Å; W938-R1001 WeakPolarHBondContact O-CD 3.46Å; W938-R1001 PolarHBondContact O-NH1 3.09Å; W938-R1001 VanDerWaalsContact O-NH1 3.14Å; L963-R1001 HydrophobicContact CD1-CB 4.32Å; V997-R1001 PolarHBondContact O-N 3.13Å; W998-R1001 WeakPolarHBondContact O-CG 3.24Å; W998-R1001 PolarHBondContact O-NE 3.25Å; K999-R1001 VanDerWaalsContact C-N 3.3Å; K999-R1001 PolarHBondContact O-N 3.44Å; R1001-F1007 HydrophobicContact CB-CD2 3.97Å; R1001-F1007 HydrophobicContact CB-CE2 3.93Å; R1001-F1007 WeakPolarHBondContact O-CD2 3.29Å |
| 1002 | I | 96 | Very high | 96.9 | Very high | 94 Ų | 94 | 34.1 Ų | 34.1 | 48% | 0.482 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -102.4 | -41.1 | 176.2 | -52.7 | -58.7 | 0 | 0 | 0 | 111.3 | K716 W938 K999 Q1000 | K716-I1002 HydrophobicContact CG-CD1 4.12Å; W938-I1002 HydrophobicContact CH2-CD1 3.72Å; W938-I1002 HydrophobicContact CZ3-CD1 3.97Å; K999-I1002 PolarHBondContact O-N 3.41Å; K999-I1002 VanDerWaalsContact O-N 3.1Å; Q1000-I1002 PolarHBondContact O-N 3.48Å |
| 1003 | S | 94.6 | Very high | 97.2 | Very high | 72 Ų | 72 | 30.2 Ų | 30.2 | 50% | 0.503 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -86.3 | -17.9 | -175.9 | 51.5 | 0 | 0 | 0 | 0 | 114.8 | K999 Q1000 | K999-S1003 PolarHBondContact O-N 3.08Å; K999-S1003 PolarHBondContact O-OG 3.44Å; Q1000-S1003 WeakPolarHBondContact CA-OG 3.44Å; Q1000-S1003 PolarHBondContact O-N 3.25Å; Q1000-S1003 PolarHBondContact OE1-OG 3.03Å |
| 1004 | S | 97.5 | Very high | 97.2 | Very high | 10 Ų | 10 | 35.1 Ų | 35.1 | 7% | 0.07 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -89.9 | 165.3 | 177.2 | 95.6 | 0 | 0 | 0 | 0 | 111.9 | C962 Q1000 L1006 | C962-S1004 WeakPolarHBondContact O-CB 3.41Å; C962-S1004 PolarHBondContact O-OG 3.39Å; Q1000-S1004 WeakPolarHBondContact O-CA 3.32Å; Q1000-S1004 WeakPolarHBondContact O-CB 3.2Å; Q1000-S1004 PolarHBondContact O-N 3.14Å; Q1000-S1004 PolarHBondContact O-OG 3.39Å; S1004-L1006 PolarHBondContact O-N 3.4Å; S1004-L1006 WeakPolarHBondContact OG-CB 3.46Å; S1004-L1006 PolarHBondContact OG-N 2.94Å |
| 1005 | P | 98.3 | Very high | 97.3 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 17% | 0.169 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -66.7 | -15.5 | 178.6 | -21.2 | 34.3 | 0 | 0 | 0 | 114.6 | F1007 N1008 | P1005-F1007 VanDerWaalsContact C-N 3.28Å; P1005-F1007 PolarHBondContact O-N 3.1Å; P1005-F1007 VanDerWaalsContact O-N 3.09Å; P1005-N1008 PolarHBondContact O-N 3.5Å |
| 1006 | L | 98.6 | Very high | 97.5 | Very high | 1 Ų | 1 | 36.1 Ų | 36.1 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -56.8 | -35 | -164.5 | -175.8 | 62.4 | 0 | 0 | 0 | 114.7 | T702 M934 L937 Q959 C962 L963 S1004 | T702-L1006 HydrophobicContact CG2-CD1 3.86Å; M934-L1006 HydrophobicContact CE-CD1 3.81Å; M934-L1006 HydrophobicContact CE-CD2 4.48Å; M934-L1006 HydrophobicContact CE-CG 3.76Å; M934-L1006 WeakPolarHBondContact CE-O 3.34Å; M934-L1006 HydrophobicContact SD-CD1 3.72Å; M934-L1006 HydrophobicContact SD-CD2 4.2Å; M934-L1006 HydrophobicContact SD-CG 3.98Å; L937-L1006 HydrophobicContact CD1-CD2 3.82Å; Q959-L1006 HydrophobicContact CB-CD1 4.22Å; Q959-L1006 HydrophobicContact CG-CD1 4.3Å; C962-L1006 HydrophobicContact CB-CD1 4.24Å; C962-L1006 PolarHBondContact SG-N 3.02Å; L963-L1006 HydrophobicContact CB-CD2 4.15Å; L963-L1006 HydrophobicContact CD1-CD2 4.02Å; S1004-L1006 PolarHBondContact O-N 3.4Å; S1004-L1006 WeakPolarHBondContact OG-CB 3.46Å; S1004-L1006 PolarHBondContact OG-N 2.94Å |
| 1007 | F | 98.7 | Very high | 97.7 | Very high | 8 Ų | 8 | 35.1 Ų | 35.1 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | G | 310 helix | trans | -116.5 | 14.3 | 177.8 | -62.7 | -83.6 | 0 | 0 | 0 | 112.6 | H708 M934 L937 W938 R1001 P1005 T1009 | H708-F1007 HydrophobicContact CB-CD1 3.86Å; H708-F1007 HydrophobicContact CB-CE1 3.93Å; H708-F1007 AromaticContact CG-CE1 3.67Å; H708-F1007 AromaticContact ND1-CD1 3.84Å; H708-F1007 AromaticContact ND1-CE1 3.54Å; M934-F1007 HydrophobicContact CB-CE1 4.08Å; M934-F1007 HydrophobicContact CB-CZ 4.36Å; M934-F1007 HydrophobicContact CE-CD1 3.66Å; M934-F1007 HydrophobicContact CE-CE1 3.34Å; M934-F1007 HydrophobicContact CE-CE2 4.4Å; M934-F1007 HydrophobicContact CE-CG 4.32Å; M934-F1007 HydrophobicContact CE-CZ 3.76Å; M934-F1007 WeakPolarHBondContact O-CZ 3.5Å; M934-F1007 HydrophobicContact SD-CE1 4.26Å; M934-F1007 HydrophobicContact SD-CZ 4.22Å; L937-F1007 HydrophobicContact CB-CE2 4.3Å; L937-F1007 HydrophobicContact CB-CZ 4.15Å; W938-F1007 HydrophobicContact CB-CE1 4.05Å; W938-F1007 HydrophobicContact CB-CZ 3.93Å; W938-F1007 HydrophobicContact CD2-CD1 4.47Å; W938-F1007 HydrophobicContact CD2-CE1 4.46Å; W938-F1007 HydrophobicContact CE3-CB 4.09Å; W938-F1007 AromaticContact CE3-CD1 3.64Å; W938-F1007 HydrophobicContact CE3-CD1 3.64Å; W938-F1007 AromaticContact CE3-CD2 3.68Å; W938-F1007 HydrophobicContact CE3-CD2 3.68Å; W938-F1007 AromaticContact CE3-CE1 3.87Å; W938-F1007 HydrophobicContact CE3-CE1 3.87Å; W938-F1007 AromaticContact CE3-CE2 3.92Å; W938-F1007 HydrophobicContact CE3-CE2 3.92Å; W938-F1007 AromaticContact CE3-CG 3.53Å; W938-F1007 HydrophobicContact CE3-CG 3.53Å; W938-F1007 HydrophobicContact CE3-CZ 4.02Å; W938-F1007 HydrophobicContact CZ3-CB 3.69Å; W938-F1007 HydrophobicContact CZ3-CD1 4.11Å; W938-F1007 AromaticContact CZ3-CD2 3.96Å; W938-F1007 HydrophobicContact CZ3-CD2 3.96Å; W938-F1007 AromaticContact CZ3-CG 3.66Å; W938-F1007 HydrophobicContact CZ3-CG 3.66Å; R1001-F1007 HydrophobicContact CB-CD2 3.97Å; R1001-F1007 HydrophobicContact CB-CE2 3.93Å; R1001-F1007 WeakPolarHBondContact O-CD2 3.29Å; P1005-F1007 VanDerWaalsContact C-N 3.28Å; P1005-F1007 PolarHBondContact O-N 3.1Å; P1005-F1007 VanDerWaalsContact O-N 3.09Å; F1007-T1009 PolarHBondContact O-N 3.29Å |
| 1008 | N | 98.6 | Very high | 97.7 | Very high | 66 Ų | 66 | 40.8 Ų | 40.8 | 35% | 0.353 | 20% | 0.2 | S | C | . | . | trans | -91.7 | 82.8 | 178.4 | -170.9 | -14.3 | 0 | 0 | 0 | 110 | P1005 K1010 Q1011 Y1012 | P1005-N1008 PolarHBondContact O-N 3.5Å; N1008-K1010 PolarHBondContact O-N 2.89Å; N1008-K1010 PolarHBondContact OD1-N 2.92Å; N1008-Q1011 HydrophobicContact CB-CB 4.1Å; N1008-Q1011 VanDerWaalsContact CG-CB 3.49Å; N1008-Q1011 PolarHBondContact ND2-OE1 3.02Å; N1008-Q1011 PolarHBondContact O-N 3.48Å; N1008-Q1011 PolarHBondContact OD1-N 3.41Å; N1008-Q1011 VanDerWaalsContact OD1-N 3.14Å; N1008-Y1012 WeakPolarHBondContact O-CB 3.35Å; N1008-Y1012 PolarHBondContact O-N 3.17Å | ||
| 1009 | T | 98.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 40.3 Ų | 40.3 | 8% | 0.08 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58.2 | -31.8 | -178.5 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | I577 M580 I705 F1007 T1013 | I577-T1009 HydrophobicContact CD1-CG2 4.38Å; M580-T1009 WeakPolarHBondContact CE-OG1 3.15Å; M580-T1009 VanDerWaalsContact SD-C 3.58Å; M580-T1009 PolarHBondContact SD-OG1 3.17Å; I705-T1009 HydrophobicContact CD1-CG2 4.09Å; I705-T1009 HydrophobicContact CG1-CG2 3.93Å; F1007-T1009 PolarHBondContact O-N 3.29Å; T1009-T1013 WeakPolarHBondContact O-CB 3.42Å; T1009-T1013 PolarHBondContact O-N 3.4Å; T1009-T1013 PolarHBondContact O-OG1 3.36Å |
| 1010 | K | 98.6 | Very high | 98 | Very high | 88 Ų | 88 | 36.7 Ų | 36.7 | 38% | 0.383 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -70.7 | -47.9 | 178.3 | -177.5 | 60.7 | -175.6 | 179.4 | 0 | 111.8 | M580 N1008 Y1012 T1013 M1014 | M580-K1010 HydrophobicContact CB-CD 4.21Å; M580-K1010 HydrophobicContact CG-CD 4.3Å; M580-K1010 PolarHBondContact O-NZ 2.92Å; M580-K1010 HydrophobicContact SD-CB 4.02Å; M580-K1010 HydrophobicContact SD-CD 4.41Å; M580-K1010 PolarHBondContact SD-N 3.25Å; N1008-K1010 PolarHBondContact O-N 2.89Å; N1008-K1010 PolarHBondContact OD1-N 2.92Å; K1010-Y1012 VanDerWaalsContact C-N 3.34Å; K1010-T1013 PolarHBondContact O-N 3.38Å; K1010-M1014 HydrophobicContact CG-SD 4.5Å; K1010-M1014 WeakPolarHBondContact O-CG 3.3Å; K1010-M1014 PolarHBondContact O-N 3.26Å; K1010-M1014 VanDerWaalsContact O-N 3.13Å |
| 1011 | Q | 98.5 | Very high | 98.1 | Very high | 60 Ų | 60 | 36.1 Ų | 36.1 | 28% | 0.28 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.5 | -46.4 | 175.2 | 177.8 | 179.7 | -13.5 | 0 | 0 | 110.6 | N1008 T1013 M1014 E1015 | N1008-Q1011 HydrophobicContact CB-CB 4.1Å; N1008-Q1011 VanDerWaalsContact CG-CB 3.49Å; N1008-Q1011 PolarHBondContact ND2-OE1 3.02Å; N1008-Q1011 PolarHBondContact O-N 3.48Å; N1008-Q1011 PolarHBondContact OD1-N 3.41Å; N1008-Q1011 VanDerWaalsContact OD1-N 3.14Å; Q1011-T1013 VanDerWaalsContact C-N 3.29Å; Q1011-T1013 PolarHBondContact O-N 3.34Å; Q1011-M1014 PolarHBondContact O-N 2.9Å; Q1011-M1014 VanDerWaalsContact O-N 3.12Å; Q1011-E1015 HydrophobicContact CG-CG 4.48Å; Q1011-E1015 VanDerWaalsContact CG-OE1 3.27Å; Q1011-E1015 WeakPolarHBondContact CG-OE1 3.38Å; Q1011-E1015 PolarHBondContact NE2-OE1 2.95Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.49Å; Q1011-E1015 PolarHBondContact O-N 3.04Å |
| 1012 | Y | 98.7 | Very high | 98.2 | Very high | 7 Ų | 7 | 38.7 Ų | 38.7 | 3% | 0.027 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -55 | -45.2 | 176.5 | -176.6 | -79.2 | 0 | 0 | 0 | 111.9 | I577 W662 M699 F703 I705 N1008 K1010 M1014 E1015 L1016 | I577-Y1012 HydrophobicContact CD1-CD1 3.91Å; W662-Y1012 AromaticContact CZ2-CE1 3.76Å; W662-Y1012 HydrophobicContact CZ2-CE1 3.76Å; W662-Y1012 PolarHBondContact NE1-OH 2.95Å; M699-Y1012 HydrophobicContact CE-CD1 4.22Å; M699-Y1012 HydrophobicContact CE-CD2 3.83Å; M699-Y1012 HydrophobicContact CE-CE1 4.05Å; M699-Y1012 HydrophobicContact CE-CE2 3.69Å; M699-Y1012 HydrophobicContact CE-CG 4.1Å; F703-Y1012 WeakPolarHBondContact O-CE2 3.4Å; F703-Y1012 PolarHBondContact O-OH 3.08Å; I705-Y1012 HydrophobicContact CB-CD1 4.26Å; I705-Y1012 HydrophobicContact CB-CD2 3.78Å; I705-Y1012 HydrophobicContact CB-CE1 4.26Å; I705-Y1012 HydrophobicContact CB-CE2 3.73Å; I705-Y1012 HydrophobicContact CB-CG 4.05Å; I705-Y1012 HydrophobicContact CD1-CD2 3.83Å; I705-Y1012 HydrophobicContact CD1-CG 3.82Å; I705-Y1012 HydrophobicContact CG1-CD1 4.14Å; I705-Y1012 HydrophobicContact CG1-CD2 3.96Å; I705-Y1012 HydrophobicContact CG1-CE2 4.4Å; I705-Y1012 HydrophobicContact CG1-CG 3.8Å; I705-Y1012 HydrophobicContact CG2-CD1 4.48Å; I705-Y1012 HydrophobicContact CG2-CE1 4.17Å; I705-Y1012 HydrophobicContact CG2-CE2 4.33Å; N1008-Y1012 WeakPolarHBondContact O-CB 3.35Å; N1008-Y1012 PolarHBondContact O-N 3.17Å; K1010-Y1012 VanDerWaalsContact C-N 3.34Å; Y1012-M1014 VanDerWaalsContact C-N 3.35Å; Y1012-M1014 PolarHBondContact O-N 3.18Å; Y1012-E1015 PolarHBondContact O-N 3.11Å; Y1012-L1016 HydrophobicContact CE1-CB 4.38Å; Y1012-L1016 HydrophobicContact CE1-CD2 4.19Å; Y1012-L1016 WeakPolarHBondContact O-CB 3.1Å; Y1012-L1016 PolarHBondContact O-N 3.37Å |
| 1013 | T | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 178.6 | -53.2 | 0 | 0 | 0 | 0 | 111.2 | I577 M580 T1009 K1010 Q1011 E1015 L1016 E1017 | I577-T1013 VanDerWaalsContact CD1-OG1 3.23Å; I577-T1013 WeakPolarHBondContact CD1-OG1 3.35Å; I577-T1013 HydrophobicContact CG2-CG2 4.2Å; M580-T1013 HydrophobicContact CB-CG2 4.01Å; T1009-T1013 WeakPolarHBondContact O-CB 3.42Å; T1009-T1013 PolarHBondContact O-N 3.4Å; T1009-T1013 PolarHBondContact O-OG1 3.36Å; K1010-T1013 PolarHBondContact O-N 3.38Å; Q1011-T1013 VanDerWaalsContact C-N 3.29Å; Q1011-T1013 PolarHBondContact O-N 3.34Å; T1013-E1015 VanDerWaalsContact C-N 3.32Å; T1013-E1015 PolarHBondContact O-N 3.33Å; T1013-L1016 PolarHBondContact O-N 3.07Å; T1013-E1017 HydrophobicContact CG2-CG 4.5Å; T1013-E1017 WeakPolarHBondContact O-CB 3.38Å; T1013-E1017 WeakPolarHBondContact O-CG 3.39Å; T1013-E1017 PolarHBondContact O-N 2.77Å |
| 1014 | M | 98.7 | Very high | 98.5 | Very high | 104 Ų | 104 | 31.4 Ų | 31.4 | 51% | 0.512 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -64.9 | -34.8 | 177.9 | -67.9 | 171.4 | 58.5 | 0 | 0 | 113 | K1010 Q1011 Y1012 R1018 | K1010-M1014 HydrophobicContact CG-SD 4.5Å; K1010-M1014 WeakPolarHBondContact O-CG 3.3Å; K1010-M1014 PolarHBondContact O-N 3.26Å; K1010-M1014 VanDerWaalsContact O-N 3.13Å; Q1011-M1014 PolarHBondContact O-N 2.9Å; Q1011-M1014 VanDerWaalsContact O-N 3.12Å; Y1012-M1014 VanDerWaalsContact C-N 3.35Å; Y1012-M1014 PolarHBondContact O-N 3.18Å; M1014-R1018 PolarHBondContact O-N 3.24Å; M1014-R1018 VanDerWaalsContact O-N 3.14Å |
| 1015 | E | 98.3 | Very high | 98.5 | Very high | 29 Ų | 29 | 36.8 Ų | 36.8 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.5 | -41.7 | 175.2 | -69.7 | 170 | -176.7 | 0 | 0 | 111.3 | M699 P700 H701 Q1011 Y1012 T1013 E1017 R1018 L1019 | M699-E1015 HydrophobicContact CE-CB 3.72Å; P700-E1015 HydrophobicContact CG-CB 3.98Å; P700-E1015 HydrophobicContact CG-CG 3.73Å; P700-E1015 VanDerWaalsContact CG-OE2 3.23Å; P700-E1015 WeakPolarHBondContact CG-OE2 3.46Å; H701-E1015 IonicContact CD2-OE1 2.8Å; H701-E1015 PolarHBondContact CD2-OE1 3.12Å; H701-E1015 IonicContact CD2-OE2 3.52Å; H701-E1015 IonicContact NE2-OE1 3.45Å; Q1011-E1015 HydrophobicContact CG-CG 4.48Å; Q1011-E1015 VanDerWaalsContact CG-OE1 3.27Å; Q1011-E1015 WeakPolarHBondContact CG-OE1 3.38Å; Q1011-E1015 PolarHBondContact NE2-OE1 2.95Å; Q1011-E1015 WeakPolarHBondContact O-CG 3.49Å; Q1011-E1015 PolarHBondContact O-N 3.04Å; Y1012-E1015 PolarHBondContact O-N 3.11Å; T1013-E1015 VanDerWaalsContact C-N 3.32Å; T1013-E1015 PolarHBondContact O-N 3.33Å; E1015-E1017 VanDerWaalsContact C-N 3.33Å; E1015-E1017 PolarHBondContact O-N 3.12Å; E1015-R1018 WeakPolarHBondContact O-CB 3.29Å; E1015-R1018 PolarHBondContact O-N 2.87Å; E1015-L1019 PolarHBondContact O-N 2.98Å |
| 1016 | L | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -62.6 | -41 | 174.8 | -175.7 | 66.3 | 0 | 0 | 0 | 111.4 | I577 W662 I678 M699 Y1012 T1013 R1018 L1019 Y1020 | I577-L1016 HydrophobicContact CG2-CD2 4.24Å; W662-L1016 HydrophobicContact CH2-CD2 4.43Å; W662-L1016 HydrophobicContact CZ2-CD2 4.17Å; I678-L1016 HydrophobicContact CD1-CD1 3.88Å; I678-L1016 HydrophobicContact CG2-CD1 4.2Å; M699-L1016 HydrophobicContact CE-CB 4.1Å; M699-L1016 HydrophobicContact SD-CB 4.14Å; M699-L1016 HydrophobicContact SD-CD1 3.94Å; Y1012-L1016 HydrophobicContact CE1-CB 4.38Å; Y1012-L1016 HydrophobicContact CE1-CD2 4.19Å; Y1012-L1016 WeakPolarHBondContact O-CB 3.1Å; Y1012-L1016 PolarHBondContact O-N 3.37Å; T1013-L1016 PolarHBondContact O-N 3.07Å; L1016-R1018 PolarHBondContact O-N 2.95Å; L1016-L1019 WeakPolarHBondContact O-CB 3.44Å; L1016-L1019 PolarHBondContact O-N 3.09Å; L1016-Y1020 HydrophobicContact CD1-CE1 4.1Å; L1016-Y1020 HydrophobicContact CD1-CE2 4.15Å; L1016-Y1020 HydrophobicContact CD2-CE2 3.84Å; L1016-Y1020 HydrophobicContact CG-CD2 4.17Å; L1016-Y1020 HydrophobicContact CG-CE1 4.4Å; L1016-Y1020 HydrophobicContact CG-CE2 3.56Å; L1016-Y1020 WeakPolarHBondContact O-CD2 3.43Å; L1016-Y1020 PolarHBondContact O-N 3.39Å |
| 1017 | E | 98.7 | Very high | 98.4 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.9 | -45 | 173.1 | -78.3 | 179 | 159.9 | 0 | 0 | 112.5 | H581 N582 F586 T1013 E1015 L1019 Y1020 L1021 | H581-E1017 WeakPolarHBondContact CA-OE1 3.48Å; H581-E1017 IonicContact CG-OE1 2.65Å; H581-E1017 VanDerWaalsContact ND1-CG 3.31Å; H581-E1017 WeakPolarHBondContact ND1-CG 3.36Å; H581-E1017 IonicContact ND1-OE1 2.63Å; H581-E1017 PolarHBondContact ND1-OE1 3.5Å; N582-E1017 PolarHBondContact N-OE1 2.99Å; F586-E1017 HydrophobicContact CD1-CG 4.38Å; F586-E1017 HydrophobicContact CD2-CB 4.39Å; F586-E1017 HydrophobicContact CD2-CG 3.75Å; F586-E1017 WeakPolarHBondContact CD2-OE1 3.45Å; F586-E1017 HydrophobicContact CE1-CB 4.17Å; F586-E1017 HydrophobicContact CE1-CG 4Å; F586-E1017 HydrophobicContact CE2-CB 3.5Å; F586-E1017 VanDerWaalsContact CE2-CB 3.5Å; F586-E1017 VanDerWaalsContact CE2-CD 3.47Å; F586-E1017 HydrophobicContact CE2-CG 3.35Å; F586-E1017 HydrophobicContact CG-CG 4.27Å; F586-E1017 HydrophobicContact CZ-CB 3.37Å; F586-E1017 HydrophobicContact CZ-CG 3.49Å; F586-E1017 VanDerWaalsContact CZ-CG 3.49Å; F586-E1017 WeakPolarHBondContact CZ-O 3.5Å; T1013-E1017 HydrophobicContact CG2-CG 4.5Å; T1013-E1017 WeakPolarHBondContact O-CB 3.38Å; T1013-E1017 WeakPolarHBondContact O-CG 3.39Å; T1013-E1017 PolarHBondContact O-N 2.77Å; E1015-E1017 VanDerWaalsContact C-N 3.33Å; E1015-E1017 PolarHBondContact O-N 3.12Å; E1017-L1019 VanDerWaalsContact C-N 3.3Å; E1017-L1019 PolarHBondContact O-N 3.35Å; E1017-Y1020 PolarHBondContact O-N 3.43Å; E1017-L1021 WeakPolarHBondContact O-CG 3.45Å; E1017-L1021 PolarHBondContact O-N 3.2Å |
| 1018 | R | 98.3 | Very high | 98.4 | Very high | 118 Ų | 118 | 41.7 Ų | 41.7 | 45% | 0.445 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 176 | -169.6 | -177.5 | -57.9 | -171 | 1.8 | 110.8 | M1014 E1015 L1016 Y1020 L1021 Q1022 | M1014-R1018 PolarHBondContact O-N 3.24Å; M1014-R1018 VanDerWaalsContact O-N 3.14Å; E1015-R1018 WeakPolarHBondContact O-CB 3.29Å; E1015-R1018 PolarHBondContact O-N 2.87Å; L1016-R1018 PolarHBondContact O-N 2.95Å; R1018-Y1020 VanDerWaalsContact C-N 3.34Å; R1018-Y1020 PolarHBondContact O-N 2.73Å; R1018-L1021 PolarHBondContact O-N 3.06Å; R1018-Q1022 WeakPolarHBondContact O-CG 3.48Å; R1018-Q1022 PolarHBondContact O-N 3.12Å |
| 1019 | L | 98.4 | Very high | 98.3 | Very high | 3 Ų | 3 | 42 Ų | 42 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.6 | -41.1 | 177.4 | -172.8 | 62.6 | 0 | 0 | 0 | 111.8 | I678 A697 M699 E1015 L1016 E1017 Q1022 M1023 M1036 | I678-L1019 HydrophobicContact CG1-CD2 4.38Å; I678-L1019 HydrophobicContact CG2-CD2 3.96Å; A697-L1019 HydrophobicContact CB-CD1 4.1Å; A697-L1019 HydrophobicContact CB-CD2 4.05Å; A697-L1019 HydrophobicContact CB-CG 4.34Å; M699-L1019 HydrophobicContact CG-CD2 4.47Å; M699-L1019 HydrophobicContact SD-CD2 4.03Å; E1015-L1019 PolarHBondContact O-N 2.98Å; L1016-L1019 WeakPolarHBondContact O-CB 3.44Å; L1016-L1019 PolarHBondContact O-N 3.09Å; E1017-L1019 VanDerWaalsContact C-N 3.3Å; E1017-L1019 PolarHBondContact O-N 3.35Å; L1019-Q1022 WeakPolarHBondContact O-CB 3.48Å; L1019-Q1022 PolarHBondContact O-N 3Å; L1019-M1023 HydrophobicContact CD2-CE 4.32Å; L1019-M1023 HydrophobicContact CG-CE 4.1Å; L1019-M1023 WeakPolarHBondContact O-CG 3.49Å; L1019-M1023 PolarHBondContact O-N 3.13Å; L1019-M1036 HydrophobicContact CD1-CB 4.36Å |
| 1020 | Y | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.2 | -41.6 | 174.2 | -72.3 | -27.8 | 0 | 0 | 0 | 113.3 | V558 Y560 F586 I635 V637 I678 L1016 E1017 R1018 Q1022 M1023 W1024 | V558-Y1020 HydrophobicContact CG1-CD2 4.42Å; V558-Y1020 HydrophobicContact CG1-CE2 3.86Å; V558-Y1020 HydrophobicContact CG2-CD2 3.98Å; V558-Y1020 HydrophobicContact CG2-CE2 4.24Å; Y560-Y1020 WeakPolarHBondContact CE1-OH 3.42Å; Y560-Y1020 PolarHBondContact OH-OH 3.4Å; F586-Y1020 HydrophobicContact CE1-CD2 4.26Å; I635-Y1020 HydrophobicContact CD1-CD1 3.71Å; I635-Y1020 HydrophobicContact CD1-CG 3.93Å; I635-Y1020 WeakPolarHBondContact CD1-O 3.23Å; I635-Y1020 HydrophobicContact CG2-CD1 4.14Å; I635-Y1020 HydrophobicContact CG2-CE1 4.09Å; V637-Y1020 HydrophobicContact CG2-CE1 4.26Å; V637-Y1020 WeakPolarHBondContact CG2-OH 3.45Å; I678-Y1020 HydrophobicContact CD1-CE1 3.66Å; L1016-Y1020 HydrophobicContact CD1-CE1 4.1Å; L1016-Y1020 HydrophobicContact CD1-CE2 4.15Å; L1016-Y1020 HydrophobicContact CD2-CE2 3.84Å; L1016-Y1020 HydrophobicContact CG-CD2 4.17Å; L1016-Y1020 HydrophobicContact CG-CE1 4.4Å; L1016-Y1020 HydrophobicContact CG-CE2 3.56Å; L1016-Y1020 WeakPolarHBondContact O-CD2 3.43Å; L1016-Y1020 PolarHBondContact O-N 3.39Å; E1017-Y1020 PolarHBondContact O-N 3.43Å; R1018-Y1020 VanDerWaalsContact C-N 3.34Å; R1018-Y1020 PolarHBondContact O-N 2.73Å; Y1020-Q1022 VanDerWaalsContact C-N 3.3Å; Y1020-Q1022 PolarHBondContact O-N 3.15Å; Y1020-M1023 HydrophobicContact CD1-SD 4.09Å; Y1020-M1023 PolarHBondContact O-N 3.02Å; Y1020-W1024 WeakPolarHBondContact O-CB 3.5Å; Y1020-W1024 PolarHBondContact O-N 3.17Å |
| 1021 | L | 98.3 | Very high | 98.2 | Very high | 42 Ų | 42 | 44.1 Ų | 44.1 | 22% | 0.22 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.6 | -41.1 | 175 | -71.7 | 167.3 | 0 | 0 | 0 | 111.1 | F586 E1017 R1018 W1024 E1025 | F586-L1021 HydrophobicContact CZ-CD1 4.12Å; F586-L1021 HydrophobicContact CZ-CD2 4.31Å; F586-L1021 HydrophobicContact CZ-CG 3.88Å; E1017-L1021 WeakPolarHBondContact O-CG 3.45Å; E1017-L1021 PolarHBondContact O-N 3.2Å; R1018-L1021 PolarHBondContact O-N 3.06Å; L1021-W1024 PolarHBondContact O-N 3.08Å; L1021-E1025 WeakPolarHBondContact O-CB 3.17Å; L1021-E1025 VanDerWaalsContact O-CG 3.25Å; L1021-E1025 WeakPolarHBondContact O-CG 3.46Å; L1021-E1025 PolarHBondContact O-N 3.43Å |
| 1022 | Q | 97.8 | Very high | 98.2 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 26% | 0.257 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 175.2 | -67.8 | 177.2 | -56.8 | 0 | 0 | 112.1 | R1018 L1019 Y1020 W1024 E1025 H1026 M1036 | R1018-Q1022 WeakPolarHBondContact O-CG 3.48Å; R1018-Q1022 PolarHBondContact O-N 3.12Å; L1019-Q1022 WeakPolarHBondContact O-CB 3.48Å; L1019-Q1022 PolarHBondContact O-N 3Å; Y1020-Q1022 VanDerWaalsContact C-N 3.3Å; Y1020-Q1022 PolarHBondContact O-N 3.15Å; Q1022-W1024 VanDerWaalsContact C-N 3.27Å; Q1022-W1024 PolarHBondContact O-N 3.4Å; Q1022-E1025 PolarHBondContact O-N 3.09Å; Q1022-H1026 WeakPolarHBondContact O-CB 3.46Å; Q1022-H1026 PolarHBondContact O-N 2.82Å; Q1022-M1036 HydrophobicContact CB-CE 3.94Å; Q1022-M1036 HydrophobicContact CB-SD 3.86Å; Q1022-M1036 WeakPolarHBondContact O-CE 3.37Å |
| 1023 | M | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -54.6 | -46.5 | 175.6 | -70 | 178.1 | 178.3 | 0 | 0 | 111.1 | I635 I658 Y676 I678 A697 L1019 Y1020 Y1027 M1036 | I635-M1023 HydrophobicContact CD1-CB 4.14Å; I635-M1023 HydrophobicContact CD1-SD 4.39Å; I658-M1023 HydrophobicContact CD1-CB 4.2Å; I658-M1023 WeakPolarHBondContact CD1-O 3.39Å; I658-M1023 HydrophobicContact CG2-CB 4.48Å; I658-M1023 HydrophobicContact CG2-SD 4.42Å; Y676-M1023 HydrophobicContact CD1-CE 4.17Å; Y676-M1023 HydrophobicContact CD2-CE 4.27Å; Y676-M1023 HydrophobicContact CD2-CG 4.24Å; Y676-M1023 HydrophobicContact CD2-SD 4.15Å; Y676-M1023 HydrophobicContact CE2-CB 4.47Å; Y676-M1023 HydrophobicContact CE2-CG 4.15Å; Y676-M1023 HydrophobicContact CG-CE 3.83Å; Y676-M1023 HydrophobicContact CG-SD 4.32Å; I678-M1023 HydrophobicContact CD1-CE 4.38Å; I678-M1023 HydrophobicContact CG1-CE 3.96Å; A697-M1023 HydrophobicContact CB-CE 3.25Å; L1019-M1023 HydrophobicContact CD2-CE 4.32Å; L1019-M1023 HydrophobicContact CG-CE 4.1Å; L1019-M1023 WeakPolarHBondContact O-CG 3.49Å; L1019-M1023 PolarHBondContact O-N 3.13Å; Y1020-M1023 HydrophobicContact CD1-SD 4.09Å; Y1020-M1023 PolarHBondContact O-N 3.02Å; M1023-Y1027 PolarHBondContact O-N 3.15Å; M1023-Y1027 VanDerWaalsContact O-N 3.14Å; M1023-M1036 HydrophobicContact CB-SD 4.43Å; M1023-M1036 HydrophobicContact CG-SD 3.75Å |
| 1024 | W | 98.5 | Very high | 98.1 | Very high | 13 Ų | 13 | 55.5 Ų | 55.5 | 5% | 0.049 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.6 | -48.3 | -179.6 | 176.9 | -110.1 | 0 | 0 | 0 | 113 | P546 L549 L556 H634 P657 I658 Y1020 L1021 Q1022 H1026 Y1027 A1028 | P546-W1024 WeakPolarHBondContact O-CH2 3.36Å; L549-W1024 HydrophobicContact CD2-CD2 4.24Å; L549-W1024 VanDerWaalsContact CD2-CE2 3.47Å; L549-W1024 HydrophobicContact CD2-CH2 4.47Å; L549-W1024 HydrophobicContact CD2-CZ2 3.6Å; L549-W1024 HydrophobicContact CG-CZ2 4.14Å; L556-W1024 HydrophobicContact CD1-CB 3.8Å; L556-W1024 HydrophobicContact CD1-CD2 3.67Å; L556-W1024 HydrophobicContact CD1-CE3 4.07Å; L556-W1024 HydrophobicContact CD1-CG 3.51Å; L556-W1024 HydrophobicContact CD2-CB 4.14Å; H634-W1024 HydrophobicContact CB-CE3 4Å; H634-W1024 HydrophobicContact CB-CZ3 4Å; H634-W1024 AromaticContact CD2-CH2 3.48Å; H634-W1024 VanDerWaalsContact CD2-CH2 3.48Å; H634-W1024 WeakPolarHBondContact CD2-CH2 3.49Å; H634-W1024 AromaticContact CD2-CZ2 3.94Å; H634-W1024 AromaticContact CD2-CZ3 3.66Å; P657-W1024 HydrophobicContact CG-CZ3 4.13Å; I658-W1024 HydrophobicContact CD1-CE3 4.08Å; Y1020-W1024 WeakPolarHBondContact O-CB 3.5Å; Y1020-W1024 PolarHBondContact O-N 3.17Å; L1021-W1024 PolarHBondContact O-N 3.08Å; Q1022-W1024 VanDerWaalsContact C-N 3.27Å; Q1022-W1024 PolarHBondContact O-N 3.4Å; W1024-H1026 VanDerWaalsContact C-N 3.27Å; W1024-H1026 PolarHBondContact O-N 3.38Å; W1024-Y1027 HydrophobicContact CE3-CD1 4.05Å; W1024-Y1027 HydrophobicContact CH2-CD1 4.22Å; W1024-Y1027 HydrophobicContact CH2-CE1 4.38Å; W1024-Y1027 AromaticContact CZ3-CD1 3.61Å; W1024-Y1027 HydrophobicContact CZ3-CD1 3.61Å; W1024-Y1027 AromaticContact CZ3-CE1 3.97Å; W1024-Y1027 HydrophobicContact CZ3-CE1 3.97Å; W1024-Y1027 PolarHBondContact O-N 3.02Å; W1024-A1028 HydrophobicContact CZ2-CB 4.4Å; W1024-A1028 VanDerWaalsContact O-CB 3.27Å; W1024-A1028 WeakPolarHBondContact O-CB 3.36Å; W1024-A1028 PolarHBondContact O-N 3.29Å |
| 1025 | E | 97.7 | Very high | 98.1 | Very high | 123 Ų | 123 | 53.8 Ų | 53.8 | 58% | 0.575 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -58.2 | -41.7 | 178.6 | -75.7 | 170.8 | -178.8 | 0 | 0 | 111.3 | L1021 Q1022 A1028 A1029 | L1021-E1025 WeakPolarHBondContact O-CB 3.17Å; L1021-E1025 VanDerWaalsContact O-CG 3.25Å; L1021-E1025 WeakPolarHBondContact O-CG 3.46Å; L1021-E1025 PolarHBondContact O-N 3.43Å; Q1022-E1025 PolarHBondContact O-N 3.09Å; E1025-A1028 PolarHBondContact O-N 3.38Å; E1025-A1029 WeakPolarHBondContact O-CB 3.3Å; E1025-A1029 PolarHBondContact O-N 3.39Å |
| 1026 | H | 97.9 | Very high | 98 | Very high | 51 Ų | 51 | 53.9 Ų | 53.9 | 24% | 0.236 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.2 | -44.8 | 176.7 | -170.5 | 70.9 | 0 | 0 | 0 | 112.1 | Q1022 W1024 N1031 K1032 M1036 | Q1022-H1026 WeakPolarHBondContact O-CB 3.46Å; Q1022-H1026 PolarHBondContact O-N 2.82Å; W1024-H1026 VanDerWaalsContact C-N 3.27Å; W1024-H1026 PolarHBondContact O-N 3.38Å; H1026-N1031 WeakPolarHBondContact CE1-CB 3.34Å; H1026-N1031 PolarHBondContact ND1-ND2 3.01Å; H1026-N1031 VanDerWaalsContact NE2-CB 3.34Å; H1026-N1031 WeakPolarHBondContact NE2-CB 3.32Å; H1026-N1031 VanDerWaalsContact O-CB 3.29Å; H1026-N1031 WeakPolarHBondContact O-CB 3.47Å; H1026-N1031 PolarHBondContact O-N 2.91Å; H1026-N1031 PolarHBondContact O-ND2 3.5Å; H1026-K1032 PolarHBondContact CD2-O 3.28Å; H1026-K1032 PolarHBondContact NE2-O 3.35Å; H1026-M1036 HydrophobicContact CB-CE 3.66Å |
| 1027 | Y | 98.3 | Very high | 97.4 | Very high | 40 Ų | 40 | 57.3 Ų | 57.3 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 175.4 | 175.2 | -92.6 | 0 | 0 | 0 | 112.7 | K547 P657 I658 M1023 W1024 A1029 G1030 | K547-Y1027 HydrophobicContact CD-CE1 4.18Å; K547-Y1027 PolarHBondContact NZ-OH 3.4Å; P657-Y1027 HydrophobicContact CB-CD1 4.21Å; P657-Y1027 HydrophobicContact CB-CD2 4.26Å; P657-Y1027 HydrophobicContact CB-CE1 3.59Å; P657-Y1027 HydrophobicContact CB-CE2 3.61Å; P657-Y1027 WeakPolarHBondContact CB-OH 3.42Å; P657-Y1027 HydrophobicContact CG-CE1 4.18Å; I658-Y1027 HydrophobicContact CD1-CG 4.2Å; I658-Y1027 HydrophobicContact CG1-CD2 4.28Å; I658-Y1027 HydrophobicContact CG1-CG 4.14Å; M1023-Y1027 PolarHBondContact O-N 3.15Å; M1023-Y1027 VanDerWaalsContact O-N 3.14Å; W1024-Y1027 HydrophobicContact CE3-CD1 4.05Å; W1024-Y1027 HydrophobicContact CH2-CD1 4.22Å; W1024-Y1027 HydrophobicContact CH2-CE1 4.38Å; W1024-Y1027 AromaticContact CZ3-CD1 3.61Å; W1024-Y1027 HydrophobicContact CZ3-CD1 3.61Å; W1024-Y1027 AromaticContact CZ3-CE1 3.97Å; W1024-Y1027 HydrophobicContact CZ3-CE1 3.97Å; W1024-Y1027 PolarHBondContact O-N 3.02Å; Y1027-A1029 PolarHBondContact O-N 3.02Å; Y1027-G1030 WeakPolarHBondContact O-CA 3.48Å; Y1027-G1030 PolarHBondContact O-N 3.14Å |
| 1028 | A | 97.3 | Very high | 96.1 | Very high | 48 Ų | 48 | 65.4 Ų | 65.4 | 40% | 0.397 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.1 | -28.6 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | W1024 E1025 G1030 | W1024-A1028 HydrophobicContact CZ2-CB 4.4Å; W1024-A1028 VanDerWaalsContact O-CB 3.27Å; W1024-A1028 WeakPolarHBondContact O-CB 3.36Å; W1024-A1028 PolarHBondContact O-N 3.29Å; E1025-A1028 PolarHBondContact O-N 3.38Å; A1028-G1030 PolarHBondContact O-N 3.43Å |
| 1029 | A | 97.7 | Very high | 94.1 | Very high | 72 Ų | 72 | 65.5 Ų | 65.5 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -1 | 169.4 | 0 | 0 | 0 | 0 | 0 | 114 | E1025 Y1027 | E1025-A1029 WeakPolarHBondContact O-CB 3.3Å; E1025-A1029 PolarHBondContact O-N 3.39Å; Y1027-A1029 PolarHBondContact O-N 3.02Å |
| 1030 | G | 96.6 | Very high | 91.7 | Very high | 67 Ų | 67 | 68.3 Ų | 68.3 | 69% | 0.691 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.9 | 11.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y1027 A1028 | Y1027-G1030 WeakPolarHBondContact O-CA 3.48Å; Y1027-G1030 PolarHBondContact O-N 3.14Å; A1028-G1030 PolarHBondContact O-N 3.43Å |
| 1031 | N | 98.2 | Very high | 88.7 | Confident | 78 Ų | 78 | 76.4 Ų | 76.4 | 42% | 0.417 | 41% | 0.414 | S | S | . | . | P | Polyproline II helix | trans | -83.8 | 152.5 | -178.2 | -55.8 | -42.1 | 0 | 0 | 0 | 111.9 | H1026 | H1026-N1031 WeakPolarHBondContact CE1-CB 3.34Å; H1026-N1031 PolarHBondContact ND1-ND2 3.01Å; H1026-N1031 VanDerWaalsContact NE2-CB 3.34Å; H1026-N1031 WeakPolarHBondContact NE2-CB 3.32Å; H1026-N1031 VanDerWaalsContact O-CB 3.29Å; H1026-N1031 WeakPolarHBondContact O-CB 3.47Å; H1026-N1031 PolarHBondContact O-N 2.91Å; H1026-N1031 PolarHBondContact O-ND2 3.5Å |
| 1032 | K | 97.8 | Very high | 85.6 | Confident | 181 Ų | 181 | 79.6 Ų | 79.6 | 79% | 0.787 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -76.7 | 155.6 | 168.5 | -70.3 | -177.5 | 178.3 | 179.6 | 0 | 110.6 | H1026 D1034 | H1026-K1032 PolarHBondContact CD2-O 3.28Å; H1026-K1032 PolarHBondContact NE2-O 3.35Å; K1032-D1034 PolarHBondContact O-N 2.93Å |
| 1033 | P | 98.3 | Very high | 82.3 | Confident | 45 Ų | 45 | 82.2 Ų | 82.2 | 29% | 0.292 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -50.8 | 130.9 | 174.8 | -27 | 34.6 | 0 | 0 | 0 | 112.2 | D675 Y676 K695 | D675-P1033 HydrophobicContact CB-CB 4.01Å; D675-P1033 HydrophobicContact CB-CG 3.64Å; Y676-P1033 HydrophobicContact CE2-CB 3.88Å; Y676-P1033 HydrophobicContact CE2-CG 4.37Å; Y676-P1033 WeakPolarHBondContact OH-CA 3.48Å; K695-P1033 WeakPolarHBondContact CE-O 3.4Å; K695-P1033 HydrophobicContact CG-CB 4.07Å |
| 1034 | D | 98 | Very high | 79.1 | Confident | 81 Ų | 81 | 91.4 Ų | 91.4 | 43% | 0.433 | 50% | 0.498 | S | S | . | . | trans | -144 | 163.6 | 173.7 | -158.3 | 13.3 | 0 | 0 | 0 | 111.5 | Y676 K695 K1032 M1036 | Y676-D1034 WeakPolarHBondContact CE1-O 3.28Å; Y676-D1034 PolarHBondContact OH-N 2.8Å; Y676-D1034 PolarHBondContact OH-O 3.47Å; K695-D1034 IonicContact NZ-OD1 3.88Å; K695-D1034 PolarHBondContact NZ-OD1 3.15Å; K1032-D1034 PolarHBondContact O-N 2.93Å; D1034-M1036 PolarHBondContact O-N 2.86Å | ||
| 1035 | H | 98 | Very high | 75.7 | Confident | 68 Ų | 68 | 95.7 Ų | 95.7 | 32% | 0.315 | 53% | 0.53 | S | S | . | . | trans | -57.9 | 129.5 | -173.8 | -62.9 | -79 | 0 | 0 | 0 | 112.7 | K695 L696 I1037 | K695-H1035 PolarHBondContact NZ-NE2 3.33Å; L696-H1035 PolarHBondContact N-ND1 2.93Å; H1035-I1037 HydrophobicContact CB-CG1 4.49Å; H1035-I1037 HydrophobicContact CB-CG2 4.14Å | ||
| 1036 | M | 96.5 | Very high | 72.5 | Confident | 30 Ų | 30 | 97.9 Ų | 97.9 | 15% | 0.148 | 57% | 0.569 | C | S | . | * | B | Isolated β-bridge | trans | -109 | 75.3 | 176 | -68.1 | -173.9 | 157.2 | 0 | 0 | 109.8 | Y676 L696 A697 Y698 L1019 Q1022 M1023 H1026 D1034 | Y676-M1036 HydrophobicContact CE1-CG 4.26Å; Y676-M1036 HydrophobicContact CE1-SD 4.25Å; L696-M1036 PolarHBondContact O-N 3.39Å; A697-M1036 HydrophobicContact CB-CB 4.47Å; Y698-M1036 PolarHBondContact N-O 3.02Å; L1019-M1036 HydrophobicContact CD1-CB 4.36Å; Q1022-M1036 HydrophobicContact CB-CE 3.94Å; Q1022-M1036 HydrophobicContact CB-SD 3.86Å; Q1022-M1036 WeakPolarHBondContact O-CE 3.37Å; M1023-M1036 HydrophobicContact CB-SD 4.43Å; M1023-M1036 HydrophobicContact CG-SD 3.75Å; H1026-M1036 HydrophobicContact CB-CE 3.66Å; D1034-M1036 PolarHBondContact O-N 2.86Å |
| 1037 | I | 86.9 | Confident | 71.2 | Confident | 72 Ų | 72 | 100.3 Ų | 100.3 | 37% | 0.369 | 59% | 0.586 | S | S | . | * | trans | -113.1 | -5.4 | -170.5 | 58.8 | 173 | 0 | 0 | 0 | 114.2 | L696 Y698 H1035 | L696-I1037 HydrophobicContact CB-CG2 4.2Å; Y698-I1037 HydrophobicContact CD1-CG2 4.24Å; Y698-I1037 HydrophobicContact CD2-CB 3.8Å; Y698-I1037 HydrophobicContact CD2-CG2 3.76Å; Y698-I1037 HydrophobicContact CE1-CG2 4.03Å; Y698-I1037 HydrophobicContact CE2-CB 3.7Å; Y698-I1037 HydrophobicContact CE2-CG2 3.48Å; Y698-I1037 VanDerWaalsContact CE2-CG2 3.48Å; Y698-I1037 HydrophobicContact CG-CB 4.5Å; Y698-I1037 HydrophobicContact CG-CG2 4.12Å; H1035-I1037 HydrophobicContact CB-CG1 4.49Å; H1035-I1037 HydrophobicContact CB-CG2 4.14Å | ||
| 1038 | K | 70.9 | Confident | 69.8 | Low | 187 Ų | 187 | 103.4 Ų | 103.4 | 81% | 0.813 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -79.7 | 134.2 | -179.8 | -75.2 | -171.5 | 178.8 | -178.1 | 0 | 110.5 | V1040 | K1038-V1040 PolarHBondContact O-N 3.28Š|
| 1039 | P | 56.2 | Low | 68.2 | Low | 119 Ų | 119 | 106.5 Ų | 106.5 | 77% | 0.773 | 62% | 0.62 | S | S | * | * | trans | -58.6 | 125.8 | 163.8 | -11.2 | 23.9 | 0 | 0 | 0 | 107.8 | E1041 | P1039-E1041 PolarHBondContact O-N 3.09Å; P1039-E1041 VanDerWaalsContact O-N 3.09Å | ||
| 1040 | V | 46.8 | Very low | 66.5 | Low | 62 Ų | 62 | 108.5 Ų | 108.5 | 38% | 0.376 | 62% | 0.622 | S | S | . | * | trans | -66.8 | 111.8 | 174.3 | -173.3 | 0 | 0 | 0 | 0 | 107 | K1038 V1042 | K1038-V1040 PolarHBondContact O-N 3.28Å; V1040-V1042 PolarHBondContact O-N 2.62Å | ||
| 1041 | E | 37.2 | Very low | 64.6 | Low | 170 Ų | 170 | 111.1 Ų | 111.1 | 79% | 0.794 | 62% | 0.617 | S | S | * | * | trans | -53.5 | 117.6 | 164.2 | -76.5 | -176.6 | 169.5 | 0 | 0 | 106.8 | P1039 T1043 | P1039-E1041 PolarHBondContact O-N 3.09Å; P1039-E1041 VanDerWaalsContact O-N 3.09Å; E1041-T1043 PolarHBondContact O-N 2.82Å | ||
| 1042 | V | 33 | Very low | 62.4 | Low | 110 Ų | 110 | 113.3 Ų | 113.3 | 67% | 0.667 | 63% | 0.631 | S | S | * | * | trans | -64.1 | 90.7 | 175.5 | -178 | 0 | 0 | 0 | 0 | 106.6 | V1040 E1044 | V1040-V1042 PolarHBondContact O-N 2.62Å; V1042-E1044 HydrophobicContact CG1-CG 4.35Å; V1042-E1044 PolarHBondContact O-N 3.24Å | ||
| 1043 | T | 28.7 | Very low | 59.8 | Low | 109 Ų | 109 | 108.5 Ų | 108.5 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | trans | -79 | 102.7 | 161.5 | 31 | 0 | 0 | 0 | 0 | 105.4 | E1041 S1045 | E1041-T1043 PolarHBondContact O-N 2.82Å; T1043-S1045 PolarHBondContact O-N 3.38Å | ||
| 1044 | E | 30.2 | Very low | 56.9 | Low | 193 Ų | 193 | 113.4 Ų | 113.4 | 90% | 0.902 | 65% | 0.645 | S | S | * | * | trans | -61.4 | 79.9 | 163.2 | -73.1 | -177.5 | 157.7 | 0 | 0 | 108.4 | V1042 | V1042-E1044 HydrophobicContact CG1-CG 4.35Å; V1042-E1044 PolarHBondContact O-N 3.24Å | ||
| 1045 | S | 27.3 | Very low | 53.5 | Low | 103 Ų | 103 | 116.1 Ų | 116.1 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | trans | -149.4 | 77.1 | 164.3 | 65.9 | 0 | 0 | 0 | 0 | 109.4 | T1043 | T1043-S1045 PolarHBondContact O-N 3.38Š| ||
| 1046 | A | 29.9 | Very low | 49.4 | Very low | 170 Ų | 170 | 120.5 Ų | 120.5 | 100% | 1.405 | 69% | 0.694 | S | S | * | * | trans | -144.6 | 0 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108 |
Retrieved 1,046 of 1,046 residues in 2119.3 ms
(Link to these results)