| 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 | 40.8 | Very low | 47 | Very low | 251 Ų | 251 | 155.4 Ų | 155.4 | 100% | 1.236 | 85% | 0.854 | S | S | * | * | 0 | 140.2 | 0 | -107.9 | 171.7 | 175.7 | 0 | 0 | 108.4 | |||||
| 2 | M | 39.1 | Very low | 47.6 | Very low | 175 Ų | 175 | 147 Ų | 147 | 86% | 0.862 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 147 | -157.4 | -82.8 | 145.3 | 166.3 | 0 | 0 | 117.4 | ||
| 3 | A | 45.3 | Very low | 47.8 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 85% | 0.851 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 134.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 4 | F | 48.7 | Very low | 48.4 | Very low | 203 Ų | 203 | 148.8 Ų | 148.8 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 117.2 | 170.3 | -83.9 | -89.2 | 0 | 0 | 0 | 109.8 | ||
| 5 | A | 48.7 | Very low | 48.5 | Very low | 87 Ų | 87 | 150.1 Ų | 150.1 | 72% | 0.719 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 153.2 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 6 | P | 48.2 | Very low | 48.8 | Very low | 115 Ų | 115 | 148.9 Ų | 148.9 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 148 | 179.1 | -12 | 26.9 | 0 | 0 | 0 | 111.7 | K8 | P6-K8 PolarHBondContact O-N 3.11Š|
| 7 | P | 52 | Low | 49.2 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 134.2 | -179.2 | 26.3 | -31.4 | 0 | 0 | 0 | 111.5 | N9 | P7-N9 PolarHBondContact O-N 3.05Š|
| 8 | K | 47.7 | Very low | 49.5 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -74.1 | 106.8 | 174.8 | -66.1 | 177.3 | -179.6 | 176.6 | 0 | 109.1 | P6 L10 | P6-K8 PolarHBondContact O-N 3.11Å; K8-L10 PolarHBondContact O-N 3.26Å | ||
| 9 | N | 42.6 | Very low | 49.5 | Very low | 157 Ų | 157 | 145.8 Ų | 145.8 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -69.8 | 110 | 167 | -131.9 | -54.7 | 0 | 0 | 0 | 108 | P7 | P7-N9 PolarHBondContact O-N 3.05Š| ||
| 10 | L | 50.4 | Low | 49.6 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | trans | -102.2 | 8.6 | -175.4 | -82.1 | 170.5 | 0 | 0 | 0 | 114 | K8 | K8-L10 PolarHBondContact O-N 3.26Š| ||
| 11 | D | 53.4 | Low | 49.5 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | -114.1 | 70.7 | 179.3 | -74 | -52.4 | 0 | 0 | 0 | 111.7 | ||||
| 12 | G | 54.8 | Low | 49.9 | Very low | 55 Ų | 55 | 137.8 Ų | 137.8 | 57% | 0.567 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -93.3 | 146.8 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | K14 | G12-K14 PolarHBondContact O-N 3.47Š|
| 13 | P | 49.2 | Very low | 50.6 | Low | 131 Ų | 131 | 133.3 Ų | 133.3 | 85% | 0.851 | 73% | 0.726 | S | S | * | * | trans | -56 | 118.8 | 179 | 21.4 | -29.9 | 0 | 0 | 0 | 109.2 | M15 | P13-M15 PolarHBondContact O-N 2.88Š| ||
| 14 | K | 56.2 | Low | 51 | Low | 188 Ų | 188 | 132.7 Ų | 132.7 | 82% | 0.817 | 71% | 0.714 | S | S | * | * | trans | -46.8 | 108.1 | 174.4 | -78.7 | 176.8 | 178.4 | 172.2 | 0 | 108.2 | G12 Q16 | G12-K14 PolarHBondContact O-N 3.47Å; K14-Q16 PolarHBondContact O-N 3.46Å | ||
| 15 | M | 50.5 | Low | 51.2 | Low | 169 Ų | 169 | 130.2 Ų | 130.2 | 83% | 0.833 | 71% | 0.709 | S | S | * | * | trans | -63.8 | 83.2 | 170.8 | -129.7 | 179.6 | 77.3 | 0 | 0 | 107 | P13 T17 | P13-M15 PolarHBondContact O-N 2.88Å; M15-T17 VanDerWaalsContact C-N 3.28Å; M15-T17 PolarHBondContact O-N 3.14Å | ||
| 16 | Q | 53.6 | Low | 51.5 | Low | 131 Ų | 131 | 132.5 Ų | 132.5 | 61% | 0.612 | 71% | 0.709 | S | S | * | * | trans | -70.5 | 96.6 | 172.3 | -68 | -146.5 | 8.5 | 0 | 0 | 106.6 | K14 K18 | K14-Q16 PolarHBondContact O-N 3.46Å; Q16-K18 HydrophobicContact CB-CD 4.38Å; Q16-K18 HydrophobicContact CB-CG 3.82Å; Q16-K18 PolarHBondContact O-N 2.89Å | ||
| 17 | T | 55.4 | Low | 52.1 | Low | 90 Ų | 90 | 130.6 Ų | 130.6 | 55% | 0.552 | 69% | 0.69 | S | S | * | * | trans | -69.3 | 74.6 | 170.2 | -53.8 | 0 | 0 | 0 | 0 | 107.3 | M15 M19 S20 | M15-T17 VanDerWaalsContact C-N 3.28Å; M15-T17 PolarHBondContact O-N 3.14Å; T17-M19 PolarHBondContact O-N 3.31Å; T17-S20 PolarHBondContact O-OG 3.26Å | ||
| 18 | K | 55.3 | Low | 52.7 | Low | 150 Ų | 150 | 131.6 Ų | 131.6 | 65% | 0.652 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.5 | -9.3 | -177.1 | -67.6 | -174.4 | 176.2 | -178.5 | 0 | 113.4 | Q16 | Q16-K18 HydrophobicContact CB-CD 4.38Å; Q16-K18 HydrophobicContact CB-CG 3.82Å; Q16-K18 PolarHBondContact O-N 2.89Å |
| 19 | M | 48.9 | Very low | 53.7 | Low | 147 Ų | 147 | 127.2 Ų | 127.2 | 72% | 0.724 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | -1.8 | -174.5 | -63.7 | -61.8 | -174.7 | 0 | 0 | 113.9 | T17 T21 W22 | T17-M19 PolarHBondContact O-N 3.31Å; M19-T21 PolarHBondContact O-N 3.44Å; M19-W22 PolarHBondContact O-N 3.48Å |
| 20 | S | 51 | Low | 55.1 | Low | 64 Ų | 64 | 124 Ų | 124 | 45% | 0.448 | 65% | 0.651 | S | S | . | * | G | 310 helix | trans | -66.6 | -21.3 | 178.1 | 49.9 | 0 | 0 | 0 | 0 | 113 | T17 W22 T23 | T17-S20 PolarHBondContact O-OG 3.26Å; S20-W22 PolarHBondContact O-N 3.46Å; S20-W22 VanDerWaalsContact O-N 3.15Å; S20-T23 WeakPolarHBondContact O-CB 3.49Å; S20-T23 PolarHBondContact O-N 3.16Å; S20-T23 PolarHBondContact O-OG1 3.43Å |
| 21 | T | 48.7 | Very low | 56.2 | Low | 97 Ų | 97 | 121.1 Ų | 121.1 | 60% | 0.595 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -57.9 | -24.5 | 174.1 | -41.6 | 0 | 0 | 0 | 0 | 113 | M19 | M19-T21 PolarHBondContact O-N 3.44Š|
| 22 | W | 49.1 | Very low | 57.4 | Low | 214 Ų | 214 | 117.9 Ų | 117.9 | 81% | 0.811 | 62% | 0.619 | S | S | * | * | G | 310 helix | trans | -90.2 | -0.2 | 178.8 | -71.1 | 105.6 | 0 | 0 | 0 | 114.1 | M19 S20 P24 | M19-W22 PolarHBondContact O-N 3.48Å; S20-W22 PolarHBondContact O-N 3.46Å; S20-W22 VanDerWaalsContact O-N 3.15Å; W22-P24 WeakPolarHBondContact O-CD 3.49Å |
| 23 | T | 53.8 | Low | 58.6 | Low | 80 Ų | 80 | 122.6 Ų | 122.6 | 49% | 0.491 | 62% | 0.62 | S | S | . | * | trans | -79.8 | 101.5 | 175.1 | -36.4 | 0 | 0 | 0 | 0 | 107.7 | S20 L25 | S20-T23 WeakPolarHBondContact O-CB 3.49Å; S20-T23 PolarHBondContact O-N 3.16Å; S20-T23 PolarHBondContact O-OG1 3.43Å; T23-L25 HydrophobicContact CG2-CD1 3.63Å; T23-L25 HydrophobicContact CG2-CG 4.01Å; T23-L25 PolarHBondContact O-N 3.42Å | ||
| 24 | P | 53 | Low | 60.3 | Low | 91 Ų | 91 | 119.3 Ų | 119.3 | 59% | 0.591 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | 34.2 | -165.6 | 33.6 | -24.7 | 0 | 0 | 0 | 110.9 | W22 N26 L30 | W22-P24 WeakPolarHBondContact O-CD 3.49Å; P24-N26 VanDerWaalsContact C-N 3.25Å; P24-N26 PolarHBondContact O-N 2.99Å; P24-L30 HydrophobicContact CB-CD1 4.41Å |
| 25 | L | 53 | Low | 61.7 | Low | 151 Ų | 151 | 115.6 Ų | 115.6 | 79% | 0.791 | 58% | 0.581 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -12.7 | -173.6 | -75.1 | 168.1 | 0 | 0 | 0 | 112.5 | T23 | T23-L25 HydrophobicContact CG2-CD1 3.63Å; T23-L25 HydrophobicContact CG2-CG 4.01Å; T23-L25 PolarHBondContact O-N 3.42Å |
| 26 | N | 54.8 | Low | 63.6 | Low | 134 Ų | 134 | 116 Ų | 116 | 72% | 0.717 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -165.2 | 51.7 | 171.9 | -143 | -20 | 0 | 0 | 0 | 113.3 | P24 Q28 | P24-N26 VanDerWaalsContact C-N 3.25Å; P24-N26 PolarHBondContact O-N 2.99Å; N26-Q28 PolarHBondContact O-N 3.31Å; N26-Q28 VanDerWaalsContact O-N 3.17Å |
| 27 | H | 61.1 | Low | 65.4 | Low | 76 Ų | 76 | 113.6 Ų | 113.6 | 35% | 0.352 | 56% | 0.564 | S | S | . | * | trans | -80.5 | 100.7 | 179.8 | -150.8 | -51.2 | 0 | 0 | 0 | 110.1 | L29 L30 | H27-L29 VanDerWaalsContact CE1-CD1 3.41Å; H27-L29 WeakPolarHBondContact CE1-CD1 3.46Å; H27-L29 WeakPolarHBondContact ND1-CB 3.4Å; H27-L29 PolarHBondContact ND1-N 3.35Å; H27-L29 PolarHBondContact O-N 3.47Å; H27-L29 VanDerWaalsContact O-N 3.13Å; H27-L30 HydrophobicContact CB-CB 4.44Å; H27-L30 HydrophobicContact CB-CD1 4.07Å; H27-L30 HydrophobicContact CB-CG 4.13Å; H27-L30 WeakPolarHBondContact O-CB 3.4Å; H27-L30 PolarHBondContact O-N 3.11Å | ||
| 28 | Q | 64.1 | Low | 67.2 | Low | 147 Ų | 147 | 112.7 Ų | 112.7 | 69% | 0.687 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -49.1 | -40.3 | 178.7 | -72.4 | 176.7 | -9.5 | 0 | 0 | 112.5 | N26 L30 N31 D32 | N26-Q28 PolarHBondContact O-N 3.31Å; N26-Q28 VanDerWaalsContact O-N 3.17Å; Q28-L30 VanDerWaalsContact C-N 3.28Å; Q28-L30 PolarHBondContact O-N 3.47Å; Q28-N31 WeakPolarHBondContact O-CB 3.26Å; Q28-N31 PolarHBondContact O-N 3.14Å; Q28-N31 VanDerWaalsContact O-N 3.08Å; Q28-D32 PolarHBondContact O-N 3.44Å |
| 29 | L | 69.3 | Low | 69 | Low | 96 Ų | 96 | 110 Ų | 110 | 50% | 0.503 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -59.3 | -30.4 | 176 | -57.1 | -177.7 | 0 | 0 | 0 | 115 | H27 R33 | H27-L29 VanDerWaalsContact CE1-CD1 3.41Å; H27-L29 WeakPolarHBondContact CE1-CD1 3.46Å; H27-L29 WeakPolarHBondContact ND1-CB 3.4Å; H27-L29 PolarHBondContact ND1-N 3.35Å; H27-L29 PolarHBondContact O-N 3.47Å; H27-L29 VanDerWaalsContact O-N 3.13Å; L29-R33 WeakPolarHBondContact O-CB 3.23Å; L29-R33 WeakPolarHBondContact O-CD 3.17Å; L29-R33 WeakPolarHBondContact O-CG 3.14Å; L29-R33 PolarHBondContact O-N 3.38Å |
| 30 | L | 71.3 | Confident | 71.2 | Confident | 90 Ų | 90 | 107 Ų | 107 | 47% | 0.471 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73 | -39.4 | 176 | -73.2 | 177.3 | 0 | 0 | 0 | 110.7 | P24 H27 Q28 R33 F34 | P24-L30 HydrophobicContact CB-CD1 4.41Å; H27-L30 HydrophobicContact CB-CB 4.44Å; H27-L30 HydrophobicContact CB-CD1 4.07Å; H27-L30 HydrophobicContact CB-CG 4.13Å; H27-L30 WeakPolarHBondContact O-CB 3.4Å; H27-L30 PolarHBondContact O-N 3.11Å; Q28-L30 VanDerWaalsContact C-N 3.28Å; Q28-L30 PolarHBondContact O-N 3.47Å; L30-R33 PolarHBondContact O-N 3.38Å; L30-F34 WeakPolarHBondContact O-CB 3.44Å; L30-F34 PolarHBondContact O-N 3.21Å |
| 31 | N | 73.8 | Confident | 73.2 | Confident | 88 Ų | 88 | 108.3 Ų | 108.3 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 175.7 | -64.2 | -22.7 | 0 | 0 | 0 | 110.6 | Q28 R33 F34 D35 | Q28-N31 WeakPolarHBondContact O-CB 3.26Å; Q28-N31 PolarHBondContact O-N 3.14Å; Q28-N31 VanDerWaalsContact O-N 3.08Å; N31-R33 PolarHBondContact O-N 3.31Å; N31-F34 WeakPolarHBondContact O-CB 3.43Å; N31-F34 PolarHBondContact O-N 3.03Å; N31-F34 VanDerWaalsContact O-N 3.09Å; N31-D35 PolarHBondContact O-N 3.35Å |
| 32 | D | 77.6 | Confident | 75.3 | Confident | 86 Ų | 86 | 107.3 Ų | 107.3 | 46% | 0.46 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.4 | -31.9 | 177.9 | -66.2 | -19.8 | 0 | 0 | 0 | 113.1 | Q28 K36 | Q28-D32 PolarHBondContact O-N 3.44Å; D32-K36 WeakPolarHBondContact O-CG 3.44Å |
| 33 | R | 80.5 | Confident | 77.5 | Confident | 155 Ų | 155 | 104.3 Ų | 104.3 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -77.1 | -42.3 | 175.3 | -73.9 | 172.6 | -173.7 | -144.7 | 2.6 | 111.3 | L29 L30 N31 D35 K36 W37 | L29-R33 WeakPolarHBondContact O-CB 3.23Å; L29-R33 WeakPolarHBondContact O-CD 3.17Å; L29-R33 WeakPolarHBondContact O-CG 3.14Å; L29-R33 PolarHBondContact O-N 3.38Å; L30-R33 PolarHBondContact O-N 3.38Å; N31-R33 PolarHBondContact O-N 3.31Å; R33-D35 VanDerWaalsContact C-N 3.25Å; R33-D35 PolarHBondContact O-N 3.26Å; R33-K36 PolarHBondContact O-N 2.87Å; R33-W37 HydrophobicContact CB-CZ2 4.47Å; R33-W37 PolarHBondContact O-N 3.29Å; R33-W37 PolarHBondContact O-NE1 3.41Å |
| 34 | F | 85.1 | Confident | 79.4 | Confident | 62 Ų | 62 | 110.3 Ų | 110.3 | 27% | 0.272 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.5 | -40.2 | 177.6 | -170 | -95.3 | 0 | 0 | 0 | 111.5 | L30 N31 K36 W37 R42 L46 | L30-F34 WeakPolarHBondContact O-CB 3.44Å; L30-F34 PolarHBondContact O-N 3.21Å; N31-F34 WeakPolarHBondContact O-CB 3.43Å; N31-F34 PolarHBondContact O-N 3.03Å; N31-F34 VanDerWaalsContact O-N 3.09Å; F34-K36 PolarHBondContact O-N 3.42Å; F34-W37 HydrophobicContact CB-CE3 4.43Å; F34-W37 AromaticContact CD2-CE3 3.49Å; F34-W37 HydrophobicContact CD2-CE3 3.49Å; F34-W37 VanDerWaalsContact CD2-CE3 3.49Å; F34-W37 AromaticContact CD2-CZ3 3.52Å; F34-W37 HydrophobicContact CD2-CZ3 3.52Å; F34-W37 HydrophobicContact CE2-CE3 4.08Å; F34-W37 HydrophobicContact CE2-CZ3 4.15Å; F34-W37 HydrophobicContact CG-CE3 4.27Å; F34-W37 WeakPolarHBondContact O-CB 3.43Å; F34-W37 PolarHBondContact O-N 3.24Å; F34-W37 VanDerWaalsContact O-N 3.14Å; F34-R42 HydrophobicContact CD2-CG 4.38Å; F34-R42 HydrophobicContact CE1-CG 4.07Å; F34-R42 HydrophobicContact CE2-CB 4.12Å; F34-R42 HydrophobicContact CE2-CG 3.91Å; F34-R42 HydrophobicContact CZ-CB 3.9Å; F34-R42 HydrophobicContact CZ-CG 3.74Å; F34-R42 PolarHBondContact O-NE 2.94Å; F34-R42 PolarHBondContact O-NH2 3.24Å; F34-L46 HydrophobicContact CZ-CD1 4.42Å; F34-L46 HydrophobicContact CZ-CG 4.5Å |
| 35 | D | 85.8 | Confident | 81.3 | Confident | 109 Ų | 109 | 109.8 Ų | 109.8 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -22 | 177.4 | -73.3 | -22.6 | 0 | 0 | 0 | 113.5 | N31 R33 R42 | N31-D35 PolarHBondContact O-N 3.35Å; R33-D35 VanDerWaalsContact C-N 3.25Å; R33-D35 PolarHBondContact O-N 3.26Å; D35-R42 VanDerWaalsContact CA-NH2 3.3Å; D35-R42 PolarHBondContact O-NH2 2.87Å |
| 36 | K | 90.4 | Very high | 83.2 | Confident | 178 Ų | 178 | 106.7 Ų | 106.7 | 77% | 0.774 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -10.4 | 175.8 | -65.4 | 174.4 | -172.8 | -178.8 | 0 | 113.6 | D32 R33 F34 | D32-K36 WeakPolarHBondContact O-CG 3.44Å; R33-K36 PolarHBondContact O-N 2.87Å; F34-K36 PolarHBondContact O-N 3.42Å |
| 37 | W | 91 | Very high | 85 | Confident | 81 Ų | 81 | 103.7 Ų | 103.7 | 31% | 0.307 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -74.9 | 151.1 | 179.4 | -66.5 | -11.6 | 0 | 0 | 0 | 112.6 | R33 F34 Q41 R42 I45 | R33-W37 HydrophobicContact CB-CZ2 4.47Å; R33-W37 PolarHBondContact O-N 3.29Å; R33-W37 PolarHBondContact O-NE1 3.41Å; F34-W37 HydrophobicContact CB-CE3 4.43Å; F34-W37 AromaticContact CD2-CE3 3.49Å; F34-W37 HydrophobicContact CD2-CE3 3.49Å; F34-W37 VanDerWaalsContact CD2-CE3 3.49Å; F34-W37 AromaticContact CD2-CZ3 3.52Å; F34-W37 HydrophobicContact CD2-CZ3 3.52Å; F34-W37 HydrophobicContact CE2-CE3 4.08Å; F34-W37 HydrophobicContact CE2-CZ3 4.15Å; F34-W37 HydrophobicContact CG-CE3 4.27Å; F34-W37 WeakPolarHBondContact O-CB 3.43Å; F34-W37 PolarHBondContact O-N 3.24Å; F34-W37 VanDerWaalsContact O-N 3.14Å; W37-Q41 HydrophobicContact CB-CB 4.03Å; W37-Q41 HydrophobicContact CG-CB 4.46Å; W37-R42 HydrophobicContact CB-CG 3.89Å; W37-R42 PolarHBondContact O-NE 3.17Å; W37-R42 PolarHBondContact O-NH2 3.34Å; W37-I45 HydrophobicContact CE3-CG1 4.4Å; W37-I45 HydrophobicContact CH2-CG1 4.24Å; W37-I45 HydrophobicContact CZ3-CB 4.09Å; W37-I45 HydrophobicContact CZ3-CG1 3.76Å; W37-I45 HydrophobicContact CZ3-CG2 4.04Å |
| 38 | T | 93.9 | Very high | 86.6 | Confident | 70 Ų | 70 | 101.4 Ų | 101.4 | 43% | 0.429 | 49% | 0.489 | S | S | . | . | trans | -70.7 | 160.2 | 172.9 | 68 | 0 | 0 | 0 | 0 | 111.3 | S40 Q41 R42 | T38-S40 PolarHBondContact O-N 3.17Å; T38-S40 PolarHBondContact OG1-OG 3.23Å; T38-S40 VanDerWaalsContact OG1-OG 3.04Å; T38-Q41 PolarHBondContact O-N 3.19Å; T38-Q41 VanDerWaalsContact O-N 3.12Å; T38-Q41 VanDerWaalsContact OG1-CG 3.29Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.13Å; T38-Q41 PolarHBondContact OG1-N 3Å; T38-Q41 PolarHBondContact OG1-OE1 3.41Å; T38-R42 WeakPolarHBondContact O-CG 3.39Å; T38-R42 PolarHBondContact O-N 3.2Å | ||
| 39 | D | 93.1 | Very high | 88 | Confident | 94 Ų | 94 | 99.3 Ų | 99.3 | 50% | 0.503 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.6 | -38.3 | 177.1 | -172.1 | 66.6 | 0 | 0 | 0 | 112.2 | R42 R43 | D39-R42 PolarHBondContact O-N 3.49Å; D39-R43 WeakPolarHBondContact O-CB 3.43Å; D39-R43 VanDerWaalsContact O-CG 3.29Å; D39-R43 WeakPolarHBondContact O-CG 3.2Å; D39-R43 PolarHBondContact O-N 3.14Å; D39-R43 IonicContact OD1-CZ 2.69Å; D39-R43 IonicContact OD1-NE 3.68Å; D39-R43 IonicContact OD1-NH2 2.65Å; D39-R43 PolarHBondContact OD1-NH2 3.16Å; D39-R43 IonicContact OD2-CZ 3.23Å; D39-R43 VanDerWaalsContact OD2-CZ 3.26Å; D39-R43 IonicContact OD2-NE 2.7Å; D39-R43 PolarHBondContact OD2-NE 3.31Å; D39-R43 IonicContact OD2-NH2 3.18Å; D39-R43 PolarHBondContact OD2-NH2 3.22Å |
| 40 | S | 94.8 | Very high | 89.2 | Confident | 83 Ų | 83 | 98 Ų | 98 | 58% | 0.58 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.7 | -41.5 | 176.7 | 64 | 0 | 0 | 0 | 0 | 112.8 | T38 R44 | T38-S40 PolarHBondContact O-N 3.17Å; T38-S40 PolarHBondContact OG1-OG 3.23Å; T38-S40 VanDerWaalsContact OG1-OG 3.04Å; S40-R44 WeakPolarHBondContact O-CB 3.33Å; S40-R44 PolarHBondContact O-N 2.95Å |
| 41 | Q | 93.1 | Very high | 90.3 | Very high | 93 Ų | 93 | 100.6 Ų | 100.6 | 44% | 0.435 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.7 | -45 | 176.4 | -72.7 | 170 | -25.8 | 0 | 0 | 111.4 | W37 T38 R44 I45 | W37-Q41 HydrophobicContact CB-CB 4.03Å; W37-Q41 HydrophobicContact CG-CB 4.46Å; T38-Q41 PolarHBondContact O-N 3.19Å; T38-Q41 VanDerWaalsContact O-N 3.12Å; T38-Q41 VanDerWaalsContact OG1-CG 3.29Å; T38-Q41 WeakPolarHBondContact OG1-CG 3.13Å; T38-Q41 PolarHBondContact OG1-N 3Å; T38-Q41 PolarHBondContact OG1-OE1 3.41Å; Q41-R44 PolarHBondContact O-N 3.21Å; Q41-I45 PolarHBondContact O-N 3.4Å |
| 42 | R | 93.5 | Very high | 91.3 | Very high | 75 Ų | 75 | 107.1 Ų | 107.1 | 28% | 0.283 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 176.2 | -69.3 | -179 | -175.8 | 170.1 | 6.6 | 111.3 | F34 D35 W37 T38 D39 R44 I45 L46 | F34-R42 HydrophobicContact CD2-CG 4.38Å; F34-R42 HydrophobicContact CE1-CG 4.07Å; F34-R42 HydrophobicContact CE2-CB 4.12Å; F34-R42 HydrophobicContact CE2-CG 3.91Å; F34-R42 HydrophobicContact CZ-CB 3.9Å; F34-R42 HydrophobicContact CZ-CG 3.74Å; F34-R42 PolarHBondContact O-NE 2.94Å; F34-R42 PolarHBondContact O-NH2 3.24Å; D35-R42 VanDerWaalsContact CA-NH2 3.3Å; D35-R42 PolarHBondContact O-NH2 2.87Å; W37-R42 HydrophobicContact CB-CG 3.89Å; W37-R42 PolarHBondContact O-NE 3.17Å; W37-R42 PolarHBondContact O-NH2 3.34Å; T38-R42 WeakPolarHBondContact O-CG 3.39Å; T38-R42 PolarHBondContact O-N 3.2Å; D39-R42 PolarHBondContact O-N 3.49Å; R42-R44 VanDerWaalsContact C-N 3.35Å; R42-R44 PolarHBondContact O-N 3.47Å; R42-I45 PolarHBondContact O-N 3.27Å; R42-L46 WeakPolarHBondContact O-CB 3.2Å; R42-L46 VanDerWaalsContact O-CG 3.26Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 3.17Å |
| 43 | R | 93.7 | Very high | 92.2 | Very high | 151 Ų | 151 | 104.8 Ų | 104.8 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -57.9 | -46.5 | 175.8 | -74.1 | -179.7 | -162.5 | -75.4 | -12.5 | 111.6 | D39 I45 L46 T47 | D39-R43 WeakPolarHBondContact O-CB 3.43Å; D39-R43 VanDerWaalsContact O-CG 3.29Å; D39-R43 WeakPolarHBondContact O-CG 3.2Å; D39-R43 PolarHBondContact O-N 3.14Å; D39-R43 IonicContact OD1-CZ 2.69Å; D39-R43 IonicContact OD1-NE 3.68Å; D39-R43 IonicContact OD1-NH2 2.65Å; D39-R43 PolarHBondContact OD1-NH2 3.16Å; D39-R43 IonicContact OD2-CZ 3.23Å; D39-R43 VanDerWaalsContact OD2-CZ 3.26Å; D39-R43 IonicContact OD2-NE 2.7Å; D39-R43 PolarHBondContact OD2-NE 3.31Å; D39-R43 IonicContact OD2-NH2 3.18Å; D39-R43 PolarHBondContact OD2-NH2 3.22Å; R43-I45 PolarHBondContact O-N 3.25Å; R43-L46 PolarHBondContact O-N 2.78Å; R43-T47 WeakPolarHBondContact O-CB 3.32Å; R43-T47 PolarHBondContact O-N 3.44Å; R43-T47 PolarHBondContact O-OG1 2.95Å |
| 44 | R | 94.8 | Very high | 92.9 | Very high | 207 Ų | 207 | 100 Ų | 100 | 78% | 0.781 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.8 | -44.8 | -179.3 | -174.5 | 173.9 | 177.1 | 159.5 | -0.4 | 112.5 | S40 Q41 R42 G48 | S40-R44 WeakPolarHBondContact O-CB 3.33Å; S40-R44 PolarHBondContact O-N 2.95Å; Q41-R44 PolarHBondContact O-N 3.21Å; R42-R44 VanDerWaalsContact C-N 3.35Å; R42-R44 PolarHBondContact O-N 3.47Å; R44-G48 PolarHBondContact O-N 3.16Å |
| 45 | I | 92.7 | Very high | 93.4 | Very high | 79 Ų | 79 | 102.4 Ų | 102.4 | 41% | 0.405 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.5 | -43.2 | 177.5 | -69.6 | -68.4 | 0 | 0 | 0 | 111.3 | W37 Q41 R42 R43 T47 G48 L49 | W37-I45 HydrophobicContact CE3-CG1 4.4Å; W37-I45 HydrophobicContact CH2-CG1 4.24Å; W37-I45 HydrophobicContact CZ3-CB 4.09Å; W37-I45 HydrophobicContact CZ3-CG1 3.76Å; W37-I45 HydrophobicContact CZ3-CG2 4.04Å; Q41-I45 PolarHBondContact O-N 3.4Å; R42-I45 PolarHBondContact O-N 3.27Å; R43-I45 PolarHBondContact O-N 3.25Å; I45-T47 PolarHBondContact O-N 3.05Å; I45-G48 PolarHBondContact O-N 2.87Å; I45-L49 HydrophobicContact CG2-CD1 3.88Å; I45-L49 HydrophobicContact CG2-CG 4.26Å; I45-L49 WeakPolarHBondContact O-CB 2.95Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.44Å; I45-L49 PolarHBondContact O-N 3.1Å |
| 46 | L | 92.6 | Very high | 93.9 | Very high | 87 Ų | 87 | 101.1 Ų | 101.1 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.7 | -72.5 | 171.6 | 0 | 0 | 0 | 111.8 | F34 R42 R43 L49 L50 | F34-L46 HydrophobicContact CZ-CD1 4.42Å; F34-L46 HydrophobicContact CZ-CG 4.5Å; R42-L46 WeakPolarHBondContact O-CB 3.2Å; R42-L46 VanDerWaalsContact O-CG 3.26Å; R42-L46 WeakPolarHBondContact O-CG 3.31Å; R42-L46 PolarHBondContact O-N 3.17Å; R43-L46 PolarHBondContact O-N 2.78Å; L46-L49 PolarHBondContact O-N 2.99Å; L46-L50 WeakPolarHBondContact O-CB 3.45Å; L46-L50 VanDerWaalsContact O-CG 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 3.12Å |
| 47 | T | 93.6 | Very high | 94.2 | Very high | 71 Ų | 71 | 97.4 Ų | 97.4 | 44% | 0.436 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 174.8 | -60.6 | 0 | 0 | 0 | 0 | 111 | R43 I45 L49 L50 E51 | R43-T47 WeakPolarHBondContact O-CB 3.32Å; R43-T47 PolarHBondContact O-N 3.44Å; R43-T47 PolarHBondContact O-OG1 2.95Å; I45-T47 PolarHBondContact O-N 3.05Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 2.92Å; T47-L50 PolarHBondContact O-N 2.81Å; T47-L50 VanDerWaalsContact O-N 3.14Å; T47-E51 HydrophobicContact CG2-CG 4.34Å; T47-E51 WeakPolarHBondContact CG2-OE1 3.12Å; T47-E51 WeakPolarHBondContact O-CG 3.43Å; T47-E51 PolarHBondContact O-N 3.05Å |
| 48 | G | 94.8 | Very high | 94.4 | Very high | 28 Ų | 28 | 97.1 Ų | 97.1 | 29% | 0.289 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -32.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R44 I45 R52 | R44-G48 PolarHBondContact O-N 3.16Å; I45-G48 PolarHBondContact O-N 2.87Å; G48-R52 WeakPolarHBondContact O-CG 3.14Å |
| 49 | L | 92.5 | Very high | 94.4 | Very high | 103 Ų | 103 | 99.4 Ų | 99.4 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.7 | -46 | 172.6 | -73.4 | 172.8 | 0 | 0 | 0 | 111.4 | I45 L46 T47 E51 R52 C53 | I45-L49 HydrophobicContact CG2-CD1 3.88Å; I45-L49 HydrophobicContact CG2-CG 4.26Å; I45-L49 WeakPolarHBondContact O-CB 2.95Å; I45-L49 VanDerWaalsContact O-CG 3.3Å; I45-L49 WeakPolarHBondContact O-CG 3.44Å; I45-L49 PolarHBondContact O-N 3.1Å; L46-L49 PolarHBondContact O-N 2.99Å; T47-L49 VanDerWaalsContact C-N 3.3Å; T47-L49 PolarHBondContact O-N 2.92Å; L49-E51 PolarHBondContact O-N 2.84Å; L49-R52 PolarHBondContact O-N 3.39Å; L49-C53 PolarHBondContact O-N 3.01Å; L49-C53 PolarHBondContact O-SG 3.23Å |
| 50 | L | 94.2 | Very high | 94.5 | Very high | 69 Ų | 69 | 100.1 Ų | 100.1 | 36% | 0.361 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.5 | -37.7 | 179.7 | -73.3 | 170.6 | 0 | 0 | 0 | 112.4 | L46 T47 R52 C53 Q58 C61 | L46-L50 WeakPolarHBondContact O-CB 3.45Å; L46-L50 VanDerWaalsContact O-CG 3.3Å; L46-L50 WeakPolarHBondContact O-CG 3.37Å; L46-L50 PolarHBondContact O-N 3.12Å; T47-L50 PolarHBondContact O-N 2.81Å; T47-L50 VanDerWaalsContact O-N 3.14Å; L50-R52 PolarHBondContact O-N 2.86Å; L50-C53 WeakPolarHBondContact O-CB 3.43Å; L50-C53 PolarHBondContact O-N 3.28Å; L50-C53 VanDerWaalsContact O-N 3.15Å; L50-Q58 PolarHBondContact O-NE2 3.27Å; L50-C61 HydrophobicContact CD2-CB 4.05Å |
| 51 | E | 94.7 | Very high | 94.4 | Very high | 143 Ų | 143 | 98 Ų | 98 | 67% | 0.668 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.8 | -27.8 | 177 | -75.5 | 172.2 | 172.1 | 0 | 0 | 113.1 | T47 L49 | T47-E51 HydrophobicContact CG2-CG 4.34Å; T47-E51 WeakPolarHBondContact CG2-OE1 3.12Å; T47-E51 WeakPolarHBondContact O-CG 3.43Å; T47-E51 PolarHBondContact O-N 3.05Å; L49-E51 PolarHBondContact O-N 2.84Å |
| 52 | R | 94.8 | Very high | 94.2 | Very high | 225 Ų | 225 | 96.5 Ų | 96.5 | 85% | 0.849 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -10.3 | 176.8 | -64.8 | -179 | 72.4 | -176.6 | 3.4 | 113.3 | G48 L49 L50 | G48-R52 WeakPolarHBondContact O-CG 3.14Å; L49-R52 PolarHBondContact O-N 3.39Å; L50-R52 PolarHBondContact O-N 2.86Å |
| 53 | C | 95.8 | Very high | 94.1 | Very high | 38 Ų | 38 | 99.3 Ų | 99.3 | 26% | 0.257 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -78.7 | 145.7 | 176.3 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | L49 L50 Q57 Q58 | L49-C53 PolarHBondContact O-N 3.01Å; L49-C53 PolarHBondContact O-SG 3.23Å; L50-C53 WeakPolarHBondContact O-CB 3.43Å; L50-C53 PolarHBondContact O-N 3.28Å; L50-C53 VanDerWaalsContact O-N 3.15Å; C53-Q57 HydrophobicContact CB-CB 3.88Å; C53-Q58 HydrophobicContact CB-CG 3.89Å; C53-Q58 PolarHBondContact O-NE2 3.35Å |
| 54 | S | 96.7 | Very high | 93.9 | Very high | 54 Ų | 54 | 96.4 Ų | 96.4 | 38% | 0.378 | 47% | 0.474 | S | S | . | . | trans | -65.2 | 160.4 | 168.1 | 68 | 0 | 0 | 0 | 0 | 111.6 | S56 Q57 Q58 | S54-S56 PolarHBondContact O-N 3.16Å; S54-S56 VanDerWaalsContact O-N 3.15Å; S54-S56 PolarHBondContact OG-OG 3.01Å; S54-Q57 WeakPolarHBondContact O-CB 3.48Å; S54-Q57 PolarHBondContact O-N 3.35Å; S54-Q57 WeakPolarHBondContact OG-CG 3.35Å; S54-Q57 PolarHBondContact OG-N 3.23Å; S54-Q57 PolarHBondContact OG-OE1 2.69Å; S54-Q58 WeakPolarHBondContact O-CG 3.42Å; S54-Q58 PolarHBondContact O-N 2.95Å | ||
| 55 | L | 95.8 | Very high | 93.6 | Very high | 113 Ų | 113 | 91.2 Ų | 91.2 | 59% | 0.592 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -54.7 | -36.2 | 177 | -177.9 | 62.9 | 0 | 0 | 0 | 112.8 | K59 | L55-K59 HydrophobicContact CG-CD 4.45Å; L55-K59 WeakPolarHBondContact O-CB 3.21Å; L55-K59 VanDerWaalsContact O-CG 3.29Å; L55-K59 WeakPolarHBondContact O-CG 3.35Å; L55-K59 PolarHBondContact O-N 3.48Å |
| 56 | S | 96.3 | Very high | 93.2 | Very high | 81 Ų | 81 | 93.6 Ų | 93.6 | 57% | 0.566 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.1 | -41.2 | 177.5 | 72.2 | 0 | 0 | 0 | 0 | 112.3 | S54 K59 F60 | S54-S56 PolarHBondContact O-N 3.16Å; S54-S56 VanDerWaalsContact O-N 3.15Å; S54-S56 PolarHBondContact OG-OG 3.01Å; S56-K59 PolarHBondContact O-N 2.92Å; S56-F60 PolarHBondContact O-N 2.65Å |
| 57 | Q | 96.1 | Very high | 92.9 | Very high | 101 Ų | 101 | 95.5 Ų | 95.5 | 47% | 0.472 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.3 | -41.3 | 177.7 | -71.4 | 163.3 | -39.8 | 0 | 0 | 111.2 | C53 S54 K59 F60 C61 | C53-Q57 HydrophobicContact CB-CB 3.88Å; S54-Q57 WeakPolarHBondContact O-CB 3.48Å; S54-Q57 PolarHBondContact O-N 3.35Å; S54-Q57 WeakPolarHBondContact OG-CG 3.35Å; S54-Q57 PolarHBondContact OG-N 3.23Å; S54-Q57 PolarHBondContact OG-OE1 2.69Å; Q57-K59 VanDerWaalsContact C-N 3.34Å; Q57-K59 PolarHBondContact O-N 3.4Å; Q57-F60 WeakPolarHBondContact O-CA 3.18Å; Q57-F60 WeakPolarHBondContact O-CB 3.43Å; Q57-F60 PolarHBondContact O-N 3.19Å; Q57-F60 VanDerWaalsContact O-N 3.13Å; Q57-C61 PolarHBondContact O-N 3.16Å; Q57-C61 PolarHBondContact O-SG 3.49Å |
| 58 | Q | 94.4 | Very high | 92.3 | Very high | 74 Ų | 74 | 100.5 Ų | 100.5 | 35% | 0.346 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.1 | -43.6 | 173.6 | -69.3 | 177.6 | -6.3 | 0 | 0 | 111.6 | L50 C53 S54 F60 C61 C62 | L50-Q58 PolarHBondContact O-NE2 3.27Å; C53-Q58 HydrophobicContact CB-CG 3.89Å; C53-Q58 PolarHBondContact O-NE2 3.35Å; S54-Q58 WeakPolarHBondContact O-CG 3.42Å; S54-Q58 PolarHBondContact O-N 2.95Å; Q58-F60 VanDerWaalsContact C-N 3.32Å; Q58-F60 PolarHBondContact O-N 3.47Å; Q58-C61 PolarHBondContact O-N 3.4Å; Q58-C62 PolarHBondContact O-N 3.28Å |
| 59 | K | 94.3 | Very high | 91.5 | Very high | 119 Ų | 119 | 104.2 Ų | 104.2 | 52% | 0.517 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.7 | -40.1 | 173.3 | -75.4 | 175.8 | 179.8 | -179.5 | 0 | 112.1 | L55 S56 Q57 C62 R63 | L55-K59 HydrophobicContact CG-CD 4.45Å; L55-K59 WeakPolarHBondContact O-CB 3.21Å; L55-K59 VanDerWaalsContact O-CG 3.29Å; L55-K59 WeakPolarHBondContact O-CG 3.35Å; L55-K59 PolarHBondContact O-N 3.48Å; S56-K59 PolarHBondContact O-N 2.92Å; Q57-K59 VanDerWaalsContact C-N 3.34Å; Q57-K59 PolarHBondContact O-N 3.4Å; K59-C62 PolarHBondContact O-N 2.92Å; K59-R63 PolarHBondContact O-N 2.86Å |
| 60 | F | 94.8 | Very high | 90.3 | Very high | 108 Ų | 108 | 102.9 Ų | 102.9 | 47% | 0.474 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 174 | 171.6 | -92.5 | 0 | 0 | 0 | 111.9 | S56 Q57 Q58 C62 R63 K64 | S56-F60 PolarHBondContact O-N 2.65Å; Q57-F60 WeakPolarHBondContact O-CA 3.18Å; Q57-F60 WeakPolarHBondContact O-CB 3.43Å; Q57-F60 PolarHBondContact O-N 3.19Å; Q57-F60 VanDerWaalsContact O-N 3.13Å; Q58-F60 VanDerWaalsContact C-N 3.32Å; Q58-F60 PolarHBondContact O-N 3.47Å; F60-C62 VanDerWaalsContact C-N 3.33Å; F60-C62 PolarHBondContact O-N 2.63Å; F60-R63 PolarHBondContact O-N 3.13Å; F60-K64 HydrophobicContact CD1-CG 4.41Å; F60-K64 HydrophobicContact CE1-CG 3.91Å; F60-K64 HydrophobicContact CE2-CG 4.12Å; F60-K64 HydrophobicContact CZ-CD 4.31Å; F60-K64 HydrophobicContact CZ-CG 3.75Å; F60-K64 PolarHBondContact O-N 2.65Å |
| 61 | C | 92.6 | Very high | 88.9 | Confident | 38 Ų | 38 | 103.5 Ų | 103.5 | 26% | 0.257 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 175.7 | -68.1 | 0 | 0 | 0 | 0 | 111.6 | L50 Q57 Q58 R63 K64 L65 | L50-C61 HydrophobicContact CD2-CB 4.05Å; Q57-C61 PolarHBondContact O-N 3.16Å; Q57-C61 PolarHBondContact O-SG 3.49Å; Q58-C61 PolarHBondContact O-N 3.4Å; C61-R63 PolarHBondContact O-N 3.29Å; C61-K64 PolarHBondContact O-N 2.95Å; C61-L65 WeakPolarHBondContact O-CB 3.32Å; C61-L65 VanDerWaalsContact O-CG 3.3Å; C61-L65 WeakPolarHBondContact O-CG 3.26Å; C61-L65 PolarHBondContact O-N 3.02Å |
| 62 | C | 89.9 | Confident | 87.2 | Confident | 62 Ų | 62 | 105.2 Ų | 105.2 | 42% | 0.419 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -56.3 | -47.7 | 176.8 | -175.6 | 0 | 0 | 0 | 0 | 112 | Q58 K59 F60 L65 Q66 | Q58-C62 PolarHBondContact O-N 3.28Å; K59-C62 PolarHBondContact O-N 2.92Å; F60-C62 VanDerWaalsContact C-N 3.33Å; F60-C62 PolarHBondContact O-N 2.63Å; C62-L65 PolarHBondContact O-N 2.9Å; C62-Q66 WeakPolarHBondContact O-CG 3.4Å; C62-Q66 PolarHBondContact O-N 3.43Å |
| 63 | R | 90.5 | Very high | 85.6 | Confident | 134 Ų | 134 | 98.8 Ų | 98.8 | 51% | 0.506 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.9 | -45.1 | 176.4 | -69.8 | -172.3 | -63.6 | -102.1 | 2.1 | 112.3 | K59 F60 C61 L65 Q66 E67 | K59-R63 PolarHBondContact O-N 2.86Å; F60-R63 PolarHBondContact O-N 3.13Å; C61-R63 PolarHBondContact O-N 3.29Å; R63-L65 VanDerWaalsContact C-N 3.32Å; R63-L65 PolarHBondContact O-N 2.95Å; R63-Q66 PolarHBondContact O-N 3.18Å; R63-E67 WeakPolarHBondContact O-CG 3.22Å; R63-E67 PolarHBondContact O-N 2.99Å |
| 64 | K | 90.7 | Very high | 84.7 | Confident | 91 Ų | 91 | 102 Ų | 102 | 40% | 0.396 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.1 | -35.3 | 179.4 | -74.4 | -71.5 | 162.4 | -139.7 | 0 | 112.9 | F60 C61 E67 K68 | F60-K64 HydrophobicContact CD1-CG 4.41Å; F60-K64 HydrophobicContact CE1-CG 3.91Å; F60-K64 HydrophobicContact CE2-CG 4.12Å; F60-K64 HydrophobicContact CZ-CD 4.31Å; F60-K64 HydrophobicContact CZ-CG 3.75Å; F60-K64 PolarHBondContact O-N 2.65Å; C61-K64 PolarHBondContact O-N 2.95Å; K64-E67 IonicContact NZ-OE1 3.26Å; K64-E67 PolarHBondContact NZ-OE1 3.45Å; K64-E67 IonicContact NZ-OE2 2.94Å; K64-E67 PolarHBondContact NZ-OE2 3.41Å; K64-K68 WeakPolarHBondContact O-CG 3.45Å; K64-K68 PolarHBondContact O-N 3.05Å |
| 65 | L | 87.9 | Confident | 84.3 | Confident | 97 Ų | 97 | 101.4 Ų | 101.4 | 51% | 0.508 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67.5 | -43.7 | 172.6 | -71.3 | 170 | 0 | 0 | 0 | 111.2 | C61 C62 R63 E67 K68 I69 | C61-L65 WeakPolarHBondContact O-CB 3.32Å; C61-L65 VanDerWaalsContact O-CG 3.3Å; C61-L65 WeakPolarHBondContact O-CG 3.26Å; C61-L65 PolarHBondContact O-N 3.02Å; C62-L65 PolarHBondContact O-N 2.9Å; R63-L65 VanDerWaalsContact C-N 3.32Å; R63-L65 PolarHBondContact O-N 2.95Å; L65-E67 VanDerWaalsContact C-N 3.29Å; L65-E67 PolarHBondContact O-N 3.35Å; L65-K68 PolarHBondContact O-N 3.48Å; L65-I69 HydrophobicContact CB-CD1 4.3Å; L65-I69 VanDerWaalsContact O-CG1 3.28Å; L65-I69 WeakPolarHBondContact O-CG1 3.4Å; L65-I69 PolarHBondContact O-N 3.16Å |
| 66 | Q | 84.1 | Confident | 84 | Confident | 130 Ų | 130 | 98.9 Ų | 98.9 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -34.1 | 176.6 | -74.7 | 172.8 | -6.7 | 0 | 0 | 113.1 | C62 R63 K68 | C62-Q66 WeakPolarHBondContact O-CG 3.4Å; C62-Q66 PolarHBondContact O-N 3.43Å; R63-Q66 PolarHBondContact O-N 3.18Å; Q66-K68 VanDerWaalsContact C-N 3.26Å; Q66-K68 PolarHBondContact O-N 3.27Å |
| 67 | E | 85.7 | Confident | 83.8 | Confident | 127 Ų | 127 | 95.4 Ų | 95.4 | 59% | 0.593 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.8 | -27.3 | 173 | -71.8 | 170.4 | -156.6 | 0 | 0 | 113 | R63 K64 L65 | R63-E67 WeakPolarHBondContact O-CG 3.22Å; R63-E67 PolarHBondContact O-N 2.99Å; K64-E67 IonicContact NZ-OE1 3.26Å; K64-E67 PolarHBondContact NZ-OE1 3.45Å; K64-E67 IonicContact NZ-OE2 2.94Å; K64-E67 PolarHBondContact NZ-OE2 3.41Å; L65-E67 VanDerWaalsContact C-N 3.29Å; L65-E67 PolarHBondContact O-N 3.35Å |
| 68 | K | 81.3 | Confident | 83.6 | Confident | 175 Ų | 175 | 94.7 Ų | 94.7 | 76% | 0.761 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -97.3 | -25.7 | -175.3 | -66.8 | -66.6 | -178.5 | -177.1 | 0 | 113.5 | K64 L65 Q66 P70 | K64-K68 WeakPolarHBondContact O-CG 3.45Å; K64-K68 PolarHBondContact O-N 3.05Å; L65-K68 PolarHBondContact O-N 3.48Å; Q66-K68 VanDerWaalsContact C-N 3.26Å; Q66-K68 PolarHBondContact O-N 3.27Å; K68-P70 WeakPolarHBondContact O-CD 3.38Å |
| 69 | I | 77.5 | Confident | 83.4 | Confident | 107 Ų | 107 | 97.7 Ų | 97.7 | 55% | 0.549 | 50% | 0.502 | S | S | . | . | S | Bend | trans | -83.4 | 117.9 | 176.1 | -63.2 | 163 | 0 | 0 | 0 | 107.3 | L65 A71 | L65-I69 HydrophobicContact CB-CD1 4.3Å; L65-I69 VanDerWaalsContact O-CG1 3.28Å; L65-I69 WeakPolarHBondContact O-CG1 3.4Å; L65-I69 PolarHBondContact O-N 3.16Å; I69-A71 PolarHBondContact O-N 2.98Å |
| 70 | P | 69.2 | Low | 83.3 | Confident | 74 Ų | 74 | 95 Ų | 95 | 48% | 0.481 | 49% | 0.493 | S | S | . | . | trans | -56.3 | 125.2 | 179 | -21.9 | 31.5 | 0 | 0 | 0 | 110.8 | K68 E72 A73 | K68-P70 WeakPolarHBondContact O-CD 3.38Å; P70-E72 HydrophobicContact CB-CB 4.45Å; P70-E72 WeakPolarHBondContact CB-OE2 3.46Å; P70-E72 PolarHBondContact O-N 2.93Å; P70-E72 VanDerWaalsContact O-N 3.1Å; P70-A73 PolarHBondContact O-N 3.11Å | ||
| 71 | A | 63.2 | Low | 83.3 | Confident | 83 Ų | 83 | 94 Ų | 94 | 69% | 0.686 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -63.1 | -15 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I69 A73 L74 | I69-A71 PolarHBondContact O-N 2.98Å; A71-A73 PolarHBondContact O-N 3.42Å; A71-A73 VanDerWaalsContact O-N 3.17Å; A71-L74 WeakPolarHBondContact O-CB 3.29Å; A71-L74 PolarHBondContact O-N 3.37Å; A71-L74 VanDerWaalsContact O-N 3.13Å |
| 72 | E | 59.5 | Low | 83.4 | Confident | 178 Ų | 178 | 98 Ų | 98 | 83% | 0.832 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -61 | -18.2 | 176.7 | -62.5 | 122.4 | -145.1 | 0 | 0 | 113.9 | P70 | P70-E72 HydrophobicContact CB-CB 4.45Å; P70-E72 WeakPolarHBondContact CB-OE2 3.46Å; P70-E72 PolarHBondContact O-N 2.93Å; P70-E72 VanDerWaalsContact O-N 3.1Å |
| 73 | A | 60.6 | Low | 83.7 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 75% | 0.752 | 52% | 0.519 | S | S | * | . | G | 310 helix | trans | -98.8 | 8.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | P70 A71 D75 | P70-A73 PolarHBondContact O-N 3.11Å; A71-A73 PolarHBondContact O-N 3.42Å; A71-A73 VanDerWaalsContact O-N 3.17Å; A73-D75 PolarHBondContact O-N 2.79Å |
| 74 | L | 77.1 | Confident | 84 | Confident | 104 Ų | 104 | 98 Ų | 98 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | trans | -80.7 | 121 | -179 | -163.8 | 63.3 | 0 | 0 | 0 | 111 | A71 F76 K79 | A71-L74 WeakPolarHBondContact O-CB 3.29Å; A71-L74 PolarHBondContact O-N 3.37Å; A71-L74 VanDerWaalsContact O-N 3.13Å; L74-F76 PolarHBondContact O-N 3.42Å; L74-K79 HydrophobicContact CD2-CD 4.37Å; L74-K79 HydrophobicContact CD2-CG 3.8Å; L74-K79 HydrophobicContact CG-CG 4.05Å | ||
| 75 | D | 88 | Confident | 84.2 | Confident | 42 Ų | 42 | 93.6 Ų | 93.6 | 23% | 0.225 | 50% | 0.497 | C | S | . | . | trans | -67.9 | 101.4 | 172.2 | -174.6 | -8.4 | 0 | 0 | 0 | 110.2 | A73 T77 T78 W107 | A73-D75 PolarHBondContact O-N 2.79Å; D75-T77 PolarHBondContact O-N 2.91Å; D75-T77 VanDerWaalsContact O-N 3.14Å; D75-T77 WeakPolarHBondContact OD1-CB 3.38Å; D75-T77 PolarHBondContact OD1-N 3.48Å; D75-T77 PolarHBondContact OD1-OG1 2.88Å; D75-T77 PolarHBondContact OD2-OG1 3.24Å; D75-T78 HydrophobicContact CB-CG2 4.02Å; D75-T78 PolarHBondContact O-N 3.37Å; D75-T78 VanDerWaalsContact O-N 3.07Å; D75-T78 PolarHBondContact O-OG1 3.5Å; D75-W107 WeakPolarHBondContact OD1-CZ2 3.38Å; D75-W107 PolarHBondContact OD1-NE1 2.88Å; D75-W107 PolarHBondContact OD2-NE1 3.22Å | ||
| 76 | F | 90.4 | Very high | 84.6 | Confident | 61 Ų | 61 | 89.9 Ų | 89.9 | 27% | 0.268 | 48% | 0.477 | S | S | . | . | G | 310 helix | trans | -57.7 | -27.8 | -179.7 | 70.6 | -93.5 | 0 | 0 | 0 | 112.8 | L74 T78 K79 L80 I88 F89 W107 | L74-F76 PolarHBondContact O-N 3.42Å; F76-T78 PolarHBondContact O-N 2.85Å; F76-K79 PolarHBondContact O-N 3.4Å; F76-L80 HydrophobicContact CB-CD1 4.35Å; F76-L80 HydrophobicContact CD2-CD1 4.06Å; F76-L80 WeakPolarHBondContact O-CB 3.31Å; F76-L80 WeakPolarHBondContact O-CG 3.34Å; F76-L80 PolarHBondContact O-N 3.01Å; F76-I88 HydrophobicContact CD2-CD1 3.94Å; F76-I88 HydrophobicContact CE2-CB 4.25Å; F76-I88 HydrophobicContact CE2-CD1 3.88Å; F76-I88 HydrophobicContact CE2-CG2 4.08Å; F76-I88 HydrophobicContact CZ-CG2 4.04Å; F76-F89 HydrophobicContact CE2-CD2 4.22Å; F76-F89 AromaticContact CE2-CE2 3.81Å; F76-F89 HydrophobicContact CE2-CE2 3.81Å; F76-F89 HydrophobicContact CZ-CD2 4.03Å; F76-F89 AromaticContact CZ-CE2 3.46Å; F76-F89 HydrophobicContact CZ-CE2 3.46Å; F76-F89 VanDerWaalsContact CZ-CE2 3.46Å; F76-F89 HydrophobicContact CZ-CZ 4.38Å; F76-W107 HydrophobicContact CD1-CH2 4.36Å; F76-W107 HydrophobicContact CD1-CZ2 4.11Å; F76-W107 AromaticContact CE1-CH2 3.61Å; F76-W107 HydrophobicContact CE1-CH2 3.61Å; F76-W107 AromaticContact CE1-CZ2 3.67Å; F76-W107 HydrophobicContact CE1-CZ2 3.67Å; F76-W107 HydrophobicContact CZ-CH2 4.34Å; F76-W107 HydrophobicContact CZ-CZ2 4.38Å |
| 77 | T | 93 | Very high | 85.1 | Confident | 8 Ų | 8 | 90.5 Ų | 90.5 | 5% | 0.049 | 48% | 0.475 | C | S | . | . | G | 310 helix | trans | -67 | -22.5 | -179 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | D75 F89 H106 W107 L110 | D75-T77 PolarHBondContact O-N 2.91Å; D75-T77 VanDerWaalsContact O-N 3.14Å; D75-T77 WeakPolarHBondContact OD1-CB 3.38Å; D75-T77 PolarHBondContact OD1-N 3.48Å; D75-T77 PolarHBondContact OD1-OG1 2.88Å; D75-T77 PolarHBondContact OD2-OG1 3.24Å; T77-F89 HydrophobicContact CG2-CE2 3.68Å; T77-F89 HydrophobicContact CG2-CZ 4.12Å; T77-H106 PolarHBondContact OG1-CD2 2.94Å; T77-H106 PolarHBondContact OG1-NE2 3.22Å; T77-W107 HydrophobicContact CG2-CZ2 4.29Å; T77-W107 PolarHBondContact OG1-NE1 3.02Å; T77-L110 HydrophobicContact CG2-CD1 3.81Å |
| 78 | T | 90.1 | Very high | 85.6 | Confident | 86 Ų | 86 | 87.6 Ų | 87.6 | 53% | 0.528 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -85.9 | -13.6 | 175.9 | 70.5 | 0 | 0 | 0 | 0 | 113.6 | D75 F76 | D75-T78 HydrophobicContact CB-CG2 4.02Å; D75-T78 PolarHBondContact O-N 3.37Å; D75-T78 VanDerWaalsContact O-N 3.07Å; D75-T78 PolarHBondContact O-OG1 3.5Å; F76-T78 PolarHBondContact O-N 2.85Å |
| 79 | K | 90.4 | Very high | 86.2 | Confident | 136 Ų | 136 | 79.3 Ų | 79.3 | 59% | 0.591 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -33.4 | -176 | -58.2 | -54.1 | -179.8 | -170.4 | 0 | 112.5 | L74 F76 | L74-K79 HydrophobicContact CD2-CD 4.37Å; L74-K79 HydrophobicContact CD2-CG 3.8Å; L74-K79 HydrophobicContact CG-CG 4.05Å; F76-K79 PolarHBondContact O-N 3.4Å |
| 80 | L | 92.8 | Very high | 87 | Confident | 64 Ų | 64 | 75.9 Ų | 75.9 | 34% | 0.335 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -91.1 | 146.9 | -179.7 | -59.8 | -178.2 | 0 | 0 | 0 | 111 | F76 L84 I88 | F76-L80 HydrophobicContact CB-CD1 4.35Å; F76-L80 HydrophobicContact CD2-CD1 4.06Å; F76-L80 WeakPolarHBondContact O-CB 3.31Å; F76-L80 WeakPolarHBondContact O-CG 3.34Å; F76-L80 PolarHBondContact O-N 3.01Å; L80-L84 HydrophobicContact CB-CB 4.28Å; L80-L84 HydrophobicContact CD1-CB 4.48Å; L80-I88 HydrophobicContact CD1-CD1 3.65Å |
| 81 | P | 95.8 | Very high | 88 | Confident | 87 Ų | 87 | 78.8 Ų | 78.8 | 57% | 0.565 | 42% | 0.418 | S | S | * | . | trans | -52.2 | 142.4 | 164.9 | -25.6 | 33.8 | 0 | 0 | 0 | 111.4 | V83 L84 S85 | P81-V83 PolarHBondContact O-N 2.87Å; P81-L84 PolarHBondContact O-N 2.88Å; P81-S85 PolarHBondContact O-N 3.48Å | ||
| 82 | R | 94.6 | Very high | 89.4 | Confident | 122 Ų | 122 | 76.6 Ų | 76.6 | 46% | 0.46 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -49.2 | -37.8 | -176.6 | -179.1 | 174.2 | 176.5 | -93.2 | 5.6 | 113.5 | L84 S85 L86 L110 | R82-L84 PolarHBondContact O-N 3.26Å; R82-S85 PolarHBondContact O-N 3.24Å; R82-L86 HydrophobicContact CG-CD1 3.98Å; R82-L86 HydrophobicContact CG-CG 4.36Å; R82-L86 WeakPolarHBondContact O-CG 3.26Å; R82-L86 PolarHBondContact O-N 3.07Å; R82-L110 HydrophobicContact CG-CD2 4.06Å |
| 83 | V | 95.8 | Very high | 90.7 | Very high | 110 Ų | 110 | 68.9 Ų | 68.9 | 67% | 0.667 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.1 | -42.7 | 179.2 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | P81 L86 Y87 | P81-V83 PolarHBondContact O-N 2.87Å; V83-L86 PolarHBondContact O-N 3.12Å; V83-Y87 WeakPolarHBondContact O-CB 3.1Å; V83-Y87 PolarHBondContact O-N 3.34Å |
| 84 | L | 96.3 | Very high | 92.1 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 44% | 0.44 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -71.2 | -38.6 | 178.6 | -63.2 | -174.7 | 0 | 0 | 0 | 111.5 | L80 P81 R82 L86 Y87 I88 | L80-L84 HydrophobicContact CB-CB 4.28Å; L80-L84 HydrophobicContact CD1-CB 4.48Å; P81-L84 PolarHBondContact O-N 2.88Å; R82-L84 PolarHBondContact O-N 3.26Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-L86 PolarHBondContact O-N 2.85Å; L84-Y87 WeakPolarHBondContact O-CB 3.32Å; L84-Y87 PolarHBondContact O-N 3.5Å; L84-I88 WeakPolarHBondContact O-CG1 3.15Å; L84-I88 PolarHBondContact O-N 3.43Å |
| 85 | S | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 63.4 Ų | 63.4 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.3 | -48.2 | 172.4 | -57.8 | 0 | 0 | 0 | 0 | 110.5 | P81 R82 Y87 I88 F89 | P81-S85 PolarHBondContact O-N 3.48Å; R82-S85 PolarHBondContact O-N 3.24Å; S85-Y87 VanDerWaalsContact C-N 3.33Å; S85-Y87 PolarHBondContact O-N 3.06Å; S85-I88 PolarHBondContact O-N 3.2Å; S85-F89 WeakPolarHBondContact O-CD2 3.39Å; S85-F89 PolarHBondContact O-N 3.05Å |
| 86 | L | 95.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 62.3 Ų | 62.3 | 9% | 0.094 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 177.2 | -69.9 | 171.5 | 0 | 0 | 0 | 113 | R82 V83 L84 F89 S90 L110 L113 L116 | R82-L86 HydrophobicContact CG-CD1 3.98Å; R82-L86 HydrophobicContact CG-CG 4.36Å; R82-L86 WeakPolarHBondContact O-CG 3.26Å; R82-L86 PolarHBondContact O-N 3.07Å; V83-L86 PolarHBondContact O-N 3.12Å; L84-L86 VanDerWaalsContact C-N 3.34Å; L84-L86 PolarHBondContact O-N 2.85Å; L86-F89 PolarHBondContact O-N 3.37Å; L86-S90 PolarHBondContact O-N 3.46Å; L86-L110 HydrophobicContact CD2-CB 4.45Å; L86-L110 HydrophobicContact CD2-CD2 4.06Å; L86-L110 HydrophobicContact CG-CD2 4.42Å; L86-L113 HydrophobicContact CD1-CD1 4.08Å; L86-L113 HydrophobicContact CD2-CD1 3.44Å; L86-L113 VanDerWaalsContact CD2-CD1 3.44Å; L86-L113 HydrophobicContact CG-CD1 4.36Å; L86-L116 HydrophobicContact CD2-CD1 4.27Å; L86-L116 HydrophobicContact CD2-CD2 4.38Å; L86-L116 HydrophobicContact CD2-CG 4.3Å; L86-L116 WeakPolarHBondContact O-CD2 3.28Å |
| 87 | Y | 95.1 | Very high | 92.7 | Very high | 143 Ų | 143 | 59.4 Ų | 59.4 | 56% | 0.561 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -59.2 | -46.4 | 173.3 | 179.2 | -113.1 | 0 | 0 | 0 | 111.5 | V83 L84 S85 F89 S90 F91 | V83-Y87 WeakPolarHBondContact O-CB 3.1Å; V83-Y87 PolarHBondContact O-N 3.34Å; L84-Y87 WeakPolarHBondContact O-CB 3.32Å; L84-Y87 PolarHBondContact O-N 3.5Å; S85-Y87 VanDerWaalsContact C-N 3.33Å; S85-Y87 PolarHBondContact O-N 3.06Å; Y87-F89 PolarHBondContact O-N 3.23Å; Y87-S90 WeakPolarHBondContact O-CB 3.45Å; Y87-S90 PolarHBondContact O-N 2.55Å; Y87-S90 VanDerWaalsContact O-N 3.16Å; Y87-S90 PolarHBondContact O-OG 3.08Å; Y87-F91 AromaticContact CD1-CE2 3.87Å; Y87-F91 HydrophobicContact CD1-CE2 3.87Å; Y87-F91 HydrophobicContact CD2-CE2 4.07Å; Y87-F91 HydrophobicContact CD2-CZ 4.34Å; Y87-F91 AromaticContact CE1-CE2 3.55Å; Y87-F91 HydrophobicContact CE1-CE2 3.55Å; Y87-F91 AromaticContact CE1-CZ 3.9Å; Y87-F91 HydrophobicContact CE1-CZ 3.9Å; Y87-F91 AromaticContact CE2-CE2 3.76Å; Y87-F91 HydrophobicContact CE2-CE2 3.76Å; Y87-F91 AromaticContact CE2-CZ 3.62Å; Y87-F91 HydrophobicContact CE2-CZ 3.62Å; Y87-F91 HydrophobicContact CG-CE2 4.13Å; Y87-F91 AromaticContact CZ-CE2 3.5Å; Y87-F91 AromaticContact CZ-CZ 3.38Å; Y87-F91 WeakPolarHBondContact O-CD2 3.18Å; Y87-F91 WeakPolarHBondContact O-CE2 3.5Å; Y87-F91 WeakPolarHBondContact OH-CZ 3.49Å |
| 88 | I | 95.2 | Very high | 92.6 | Very high | 67 Ų | 67 | 61.1 Ų | 61.1 | 34% | 0.344 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60 | -47.2 | 175 | -65.5 | 163.9 | 0 | 0 | 0 | 110.9 | F76 L80 L84 S85 S90 F91 | F76-I88 HydrophobicContact CD2-CD1 3.94Å; F76-I88 HydrophobicContact CE2-CB 4.25Å; F76-I88 HydrophobicContact CE2-CD1 3.88Å; F76-I88 HydrophobicContact CE2-CG2 4.08Å; F76-I88 HydrophobicContact CZ-CG2 4.04Å; L80-I88 HydrophobicContact CD1-CD1 3.65Å; L84-I88 WeakPolarHBondContact O-CG1 3.15Å; L84-I88 PolarHBondContact O-N 3.43Å; S85-I88 PolarHBondContact O-N 3.2Å; I88-S90 PolarHBondContact O-N 2.93Å; I88-F91 PolarHBondContact O-N 3.07Å |
| 89 | F | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.5 | -27.5 | 178 | -83.7 | -115.1 | 0 | 0 | 0 | 112.6 | F76 T77 S85 L86 Y87 F91 L92 L97 C100 W107 L110 A111 L116 | F76-F89 HydrophobicContact CE2-CD2 4.22Å; F76-F89 AromaticContact CE2-CE2 3.81Å; F76-F89 HydrophobicContact CE2-CE2 3.81Å; F76-F89 HydrophobicContact CZ-CD2 4.03Å; F76-F89 AromaticContact CZ-CE2 3.46Å; F76-F89 HydrophobicContact CZ-CE2 3.46Å; F76-F89 VanDerWaalsContact CZ-CE2 3.46Å; F76-F89 HydrophobicContact CZ-CZ 4.38Å; T77-F89 HydrophobicContact CG2-CE2 3.68Å; T77-F89 HydrophobicContact CG2-CZ 4.12Å; S85-F89 WeakPolarHBondContact O-CD2 3.39Å; S85-F89 PolarHBondContact O-N 3.05Å; L86-F89 PolarHBondContact O-N 3.37Å; Y87-F89 PolarHBondContact O-N 3.23Å; F89-F91 PolarHBondContact O-N 2.96Å; F89-L92 HydrophobicContact CD1-CD1 4.4Å; F89-L92 HydrophobicContact CG-CD1 4.46Å; F89-L92 WeakPolarHBondContact O-CB 3.26Å; F89-L92 PolarHBondContact O-N 3.12Å; F89-L92 VanDerWaalsContact O-N 3.07Å; F89-L97 HydrophobicContact CB-CD2 4.03Å; F89-L97 HydrophobicContact CD1-CD2 3.56Å; F89-L97 HydrophobicContact CG-CD2 4.23Å; F89-C100 HydrophobicContact CD1-CB 4.42Å; F89-C100 HydrophobicContact CE1-CB 3.68Å; F89-C100 HydrophobicContact CZ-CB 4.39Å; F89-W107 HydrophobicContact CE1-CE3 4.4Å; F89-W107 AromaticContact CZ-CD2 3.94Å; F89-W107 HydrophobicContact CZ-CD2 3.94Å; F89-W107 AromaticContact CZ-CE3 3.85Å; F89-W107 HydrophobicContact CZ-CE3 3.85Å; F89-W107 HydrophobicContact CZ-CG 4.29Å; F89-W107 HydrophobicContact CZ-CZ3 4.34Å; F89-L110 HydrophobicContact CE1-CB 4.47Å; F89-A111 HydrophobicContact CD1-CB 4.11Å; F89-A111 HydrophobicContact CE1-CB 3.97Å; F89-L116 HydrophobicContact CB-CD1 3.86Å; F89-L116 HydrophobicContact CB-CD2 4.1Å; F89-L116 HydrophobicContact CD1-CD1 4.47Å |
| 90 | S | 93.3 | Very high | 92.8 | Very high | 35 Ų | 35 | 56.5 Ų | 56.5 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -33 | -179.6 | 79.8 | 0 | 0 | 0 | 0 | 112.8 | L86 Y87 I88 L92 K120 | L86-S90 PolarHBondContact O-N 3.46Å; Y87-S90 WeakPolarHBondContact O-CB 3.45Å; Y87-S90 PolarHBondContact O-N 2.55Å; Y87-S90 VanDerWaalsContact O-N 3.16Å; Y87-S90 PolarHBondContact O-OG 3.08Å; I88-S90 PolarHBondContact O-N 2.93Å; S90-L92 VanDerWaalsContact C-N 3.26Å; S90-L92 PolarHBondContact O-N 3.29Å; S90-K120 PolarHBondContact O-NZ 3.24Å; S90-K120 VanDerWaalsContact O-NZ 3.13Å |
| 91 | F | 91.4 | Very high | 92.9 | Very high | 135 Ų | 135 | 54.2 Ų | 54.2 | 59% | 0.592 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | -13.5 | 177.1 | -63.7 | -71.1 | 0 | 0 | 0 | 114.4 | Y87 I88 F89 | Y87-F91 AromaticContact CD1-CE2 3.87Å; Y87-F91 HydrophobicContact CD1-CE2 3.87Å; Y87-F91 HydrophobicContact CD2-CE2 4.07Å; Y87-F91 HydrophobicContact CD2-CZ 4.34Å; Y87-F91 AromaticContact CE1-CE2 3.55Å; Y87-F91 HydrophobicContact CE1-CE2 3.55Å; Y87-F91 AromaticContact CE1-CZ 3.9Å; Y87-F91 HydrophobicContact CE1-CZ 3.9Å; Y87-F91 AromaticContact CE2-CE2 3.76Å; Y87-F91 HydrophobicContact CE2-CE2 3.76Å; Y87-F91 AromaticContact CE2-CZ 3.62Å; Y87-F91 HydrophobicContact CE2-CZ 3.62Å; Y87-F91 HydrophobicContact CG-CE2 4.13Å; Y87-F91 AromaticContact CZ-CE2 3.5Å; Y87-F91 AromaticContact CZ-CZ 3.38Å; Y87-F91 WeakPolarHBondContact O-CD2 3.18Å; Y87-F91 WeakPolarHBondContact O-CE2 3.5Å; Y87-F91 WeakPolarHBondContact OH-CZ 3.49Å; I88-F91 PolarHBondContact O-N 3.07Å; F89-F91 PolarHBondContact O-N 2.96Å |
| 92 | L | 90.9 | Very high | 92.8 | Very high | 38 Ų | 38 | 56.5 Ų | 56.5 | 20% | 0.199 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -80.8 | 137.6 | -179.1 | -60.7 | 179.6 | 0 | 0 | 0 | 110.4 | F89 S90 L97 C100 K120 | F89-L92 HydrophobicContact CD1-CD1 4.4Å; F89-L92 HydrophobicContact CG-CD1 4.46Å; F89-L92 WeakPolarHBondContact O-CB 3.26Å; F89-L92 PolarHBondContact O-N 3.12Å; F89-L92 VanDerWaalsContact O-N 3.07Å; S90-L92 VanDerWaalsContact C-N 3.26Å; S90-L92 PolarHBondContact O-N 3.29Å; L92-L97 HydrophobicContact CB-CD2 3.96Å; L92-L97 HydrophobicContact CB-CG 3.86Å; L92-L97 HydrophobicContact CD1-CD2 4.1Å; L92-C100 VanDerWaalsContact CD1-SG 3.5Å; L92-K120 PolarHBondContact O-NZ 3.42Å |
| 93 | D | 87.1 | Confident | 92.7 | Very high | 16 Ų | 16 | 54.9 Ų | 54.9 | 9% | 0.086 | 28% | 0.276 | C | S | . | . | trans | -65.3 | 158.2 | 171 | 63.1 | -72.5 | 0 | 0 | 0 | 111.8 | R95 S96 L97 N221 | D93-R95 PolarHBondContact O-N 3.33Å; D93-R95 VanDerWaalsContact O-N 3.12Å; D93-R95 VanDerWaalsContact OD2-CB 3.26Å; D93-R95 WeakPolarHBondContact OD2-CB 3.29Å; D93-R95 PolarHBondContact OD2-N 2.78Å; D93-S96 PolarHBondContact O-N 3.09Å; D93-S96 WeakPolarHBondContact OD1-CB 3.3Å; D93-S96 PolarHBondContact OD1-OG 3.04Å; D93-S96 PolarHBondContact OD2-N 3.49Å; D93-S96 PolarHBondContact OD2-OG 2.83Å; D93-L97 PolarHBondContact O-N 2.92Å; D93-N221 HydrophobicContact CB-CB 4.18Å; D93-N221 VanDerWaalsContact CB-ND2 3.32Å; D93-N221 WeakPolarHBondContact CB-ND2 3.39Å | ||
| 94 | P | 89.8 | Confident | 92.5 | Very high | 13 Ų | 13 | 52 Ų | 52 | 8% | 0.084 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -51.8 | -36 | 179.6 | -27.2 | 33.5 | 0 | 0 | 0 | 114.3 | C98 W117 K120 Y144 | P94-C98 PolarHBondContact O-N 3.34Å; P94-C98 VanDerWaalsContact O-N 3.09Å; P94-C98 PolarHBondContact O-SG 3.4Å; P94-W117 HydrophobicContact CB-CH2 3.9Å; P94-W117 HydrophobicContact CB-CZ3 3.85Å; P94-K120 HydrophobicContact CG-CD 4.2Å; P94-Y144 HydrophobicContact CB-CE1 3.96Å; P94-Y144 HydrophobicContact CG-CE1 3.89Å; P94-Y144 HydrophobicContact CG-CE2 4.22Å; P94-Y144 WeakPolarHBondContact CG-OH 3.26Å |
| 95 | R | 85.9 | Confident | 92.5 | Very high | 67 Ų | 67 | 58 Ų | 58 | 25% | 0.253 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.5 | -44.2 | 178.5 | -174.2 | -172 | -173.9 | 101.9 | 7 | 110.7 | D93 L97 C98 R99 Y222 | D93-R95 PolarHBondContact O-N 3.33Å; D93-R95 VanDerWaalsContact O-N 3.12Å; D93-R95 VanDerWaalsContact OD2-CB 3.26Å; D93-R95 WeakPolarHBondContact OD2-CB 3.29Å; D93-R95 PolarHBondContact OD2-N 2.78Å; R95-L97 VanDerWaalsContact C-N 3.33Å; R95-C98 WeakPolarHBondContact O-CB 3.46Å; R95-C98 PolarHBondContact O-N 2.82Å; R95-R99 PolarHBondContact O-N 3.26Å; R95-R99 VanDerWaalsContact O-N 3.14Å; R95-Y222 PolarHBondContact NH1-OH 2.96Å; R95-Y222 VanDerWaalsContact NH1-OH 3.09Å |
| 96 | S | 89.5 | Confident | 92.4 | Very high | 18 Ų | 18 | 62 Ų | 62 | 13% | 0.126 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.8 | -65.5 | 0 | 0 | 0 | 0 | 111.8 | D93 C98 R99 C100 | D93-S96 PolarHBondContact O-N 3.09Å; D93-S96 WeakPolarHBondContact OD1-CB 3.3Å; D93-S96 PolarHBondContact OD1-OG 3.04Å; D93-S96 PolarHBondContact OD2-N 3.49Å; D93-S96 PolarHBondContact OD2-OG 2.83Å; S96-C98 VanDerWaalsContact C-N 3.34Å; S96-C98 PolarHBondContact O-N 3.02Å; S96-R99 WeakPolarHBondContact O-CA 3.49Å; S96-R99 WeakPolarHBondContact O-CB 3.44Å; S96-R99 PolarHBondContact O-N 3.19Å; S96-C100 PolarHBondContact O-N 3.08Å; S96-C100 PolarHBondContact O-SG 2.9Å; S96-C100 VanDerWaalsContact O-SG 3.37Å |
| 97 | L | 92.6 | Very high | 92.5 | Very high | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.3 | -41.2 | 173.4 | -74.8 | 172.5 | 0 | 0 | 0 | 113 | F89 L92 D93 R95 R99 C100 A101 A111 L116 W117 K120 | F89-L97 HydrophobicContact CB-CD2 4.03Å; F89-L97 HydrophobicContact CD1-CD2 3.56Å; F89-L97 HydrophobicContact CG-CD2 4.23Å; L92-L97 HydrophobicContact CB-CD2 3.96Å; L92-L97 HydrophobicContact CB-CG 3.86Å; L92-L97 HydrophobicContact CD1-CD2 4.1Å; D93-L97 PolarHBondContact O-N 2.92Å; R95-L97 VanDerWaalsContact C-N 3.33Å; L97-R99 VanDerWaalsContact C-N 3.25Å; L97-R99 PolarHBondContact O-N 3.04Å; L97-C100 WeakPolarHBondContact O-CB 3.44Å; L97-C100 PolarHBondContact O-N 3.06Å; L97-A101 PolarHBondContact O-N 2.99Å; L97-A111 HydrophobicContact CD2-CB 4.3Å; L97-L116 HydrophobicContact CD2-CD1 4.14Å; L97-W117 HydrophobicContact CB-CZ2 4.37Å; L97-K120 HydrophobicContact CD1-CD 4Å |
| 98 | C | 90.7 | Very high | 92.5 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 30% | 0.297 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.9 | -29 | 173.6 | -71.9 | 0 | 0 | 0 | 0 | 112.9 | P94 R95 S96 Q102 | P94-C98 PolarHBondContact O-N 3.34Å; P94-C98 VanDerWaalsContact O-N 3.09Å; P94-C98 PolarHBondContact O-SG 3.4Å; R95-C98 WeakPolarHBondContact O-CB 3.46Å; R95-C98 PolarHBondContact O-N 2.82Å; S96-C98 VanDerWaalsContact C-N 3.34Å; S96-C98 PolarHBondContact O-N 3.02Å; C98-Q102 PolarHBondContact O-NE2 3.38Å |
| 99 | R | 91.5 | Very high | 92.4 | Very high | 108 Ų | 108 | 60.2 Ų | 60.2 | 41% | 0.408 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -75.2 | -41.2 | 171.4 | -62.3 | -170.7 | -142.7 | -179.7 | 6.4 | 111.6 | R95 S96 L97 A101 Q102 | R95-R99 PolarHBondContact O-N 3.26Å; R95-R99 VanDerWaalsContact O-N 3.14Å; S96-R99 WeakPolarHBondContact O-CA 3.49Å; S96-R99 WeakPolarHBondContact O-CB 3.44Å; S96-R99 PolarHBondContact O-N 3.19Å; L97-R99 VanDerWaalsContact C-N 3.25Å; L97-R99 PolarHBondContact O-N 3.04Å; R99-A101 PolarHBondContact O-N 2.7Å; R99-Q102 WeakPolarHBondContact O-CB 3.36Å; R99-Q102 PolarHBondContact O-N 3.07Å |
| 100 | C | 94 | Very high | 92.4 | Very high | 17 Ų | 17 | 60.4 Ų | 60.4 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -55.9 | -40.7 | 173.9 | -69.1 | 0 | 0 | 0 | 0 | 111.5 | F89 L92 S96 L97 Q102 V103 W107 A111 | F89-C100 HydrophobicContact CD1-CB 4.42Å; F89-C100 HydrophobicContact CE1-CB 3.68Å; F89-C100 HydrophobicContact CZ-CB 4.39Å; L92-C100 VanDerWaalsContact CD1-SG 3.5Å; S96-C100 PolarHBondContact O-N 3.08Å; S96-C100 PolarHBondContact O-SG 2.9Å; S96-C100 VanDerWaalsContact O-SG 3.37Å; L97-C100 WeakPolarHBondContact O-CB 3.44Å; L97-C100 PolarHBondContact O-N 3.06Å; C100-Q102 PolarHBondContact O-N 3.21Å; C100-V103 WeakPolarHBondContact O-CB 3.48Å; C100-V103 WeakPolarHBondContact O-CG2 3.5Å; C100-V103 PolarHBondContact O-N 2.73Å; C100-W107 HydrophobicContact CB-CE3 3.77Å; C100-W107 HydrophobicContact CB-CZ3 4.21Å; C100-W107 VanDerWaalsContact O-CB 3.27Å; C100-W107 WeakPolarHBondContact O-CB 3.45Å; C100-A111 HydrophobicContact CB-CB 4.43Å |
| 101 | A | 94.3 | Very high | 92.5 | Very high | 16 Ų | 16 | 58.8 Ų | 58.8 | 13% | 0.132 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -14.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L97 R99 K108 A111 | L97-A101 PolarHBondContact O-N 2.99Å; R99-A101 PolarHBondContact O-N 2.7Å; A101-K108 HydrophobicContact CB-CB 4.29Å; A101-K108 HydrophobicContact CB-CG 4.21Å; A101-K108 WeakPolarHBondContact O-CB 3.45Å; A101-A111 HydrophobicContact CB-CB 4.12Å |
| 102 | Q | 93.6 | Very high | 92.7 | Very high | 134 Ų | 134 | 55.3 Ų | 55.3 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | -5 | 177.6 | -64.9 | 167.9 | 64 | 0 | 0 | 113 | C98 R99 C100 | C98-Q102 PolarHBondContact O-NE2 3.38Å; R99-Q102 WeakPolarHBondContact O-CB 3.36Å; R99-Q102 PolarHBondContact O-N 3.07Å; C100-Q102 PolarHBondContact O-N 3.21Å |
| 103 | V | 92.7 | Very high | 92.8 | Very high | 88 Ų | 88 | 54.6 Ų | 54.6 | 53% | 0.533 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -53.3 | -178.6 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | C100 W107 | C100-V103 WeakPolarHBondContact O-CB 3.48Å; C100-V103 WeakPolarHBondContact O-CG2 3.5Å; C100-V103 PolarHBondContact O-N 2.73Å; V103-W107 HydrophobicContact CB-CB 4.29Å; V103-W107 HydrophobicContact CB-CD2 3.88Å; V103-W107 HydrophobicContact CB-CE3 3.73Å; V103-W107 HydrophobicContact CB-CG 4.14Å; V103-W107 HydrophobicContact CB-CZ3 4.36Å; V103-W107 HydrophobicContact CG1-CD2 3.91Å; V103-W107 HydrophobicContact CG1-CE3 4.06Å; V103-W107 HydrophobicContact CG1-CG 4.27Å; V103-W107 HydrophobicContact CG1-CZ3 4.45Å; V103-W107 HydrophobicContact CG2-CD2 4.29Å; V103-W107 HydrophobicContact CG2-CE3 3.63Å; V103-W107 HydrophobicContact CG2-CZ3 3.88Å |
| 104 | C | 93 | Very high | 93.1 | Very high | 49 Ų | 49 | 55.2 Ų | 55.2 | 33% | 0.331 | 27% | 0.266 | S | S | . | . | trans | -159.6 | 170.4 | 174 | 71.6 | 0 | 0 | 0 | 0 | 111 | H106 W107 K108 | C104-H106 VanDerWaalsContact C-N 3.28Å; C104-H106 PolarHBondContact O-N 2.98Å; C104-W107 PolarHBondContact O-N 2.95Å; C104-W107 PolarHBondContact SG-N 3.14Å; C104-W107 VanDerWaalsContact SG-N 3.4Å; C104-K108 PolarHBondContact O-N 3.42Å | ||
| 105 | W | 95 | Very high | 93.2 | Very high | 211 Ų | 211 | 59.9 Ų | 59.9 | 80% | 0.799 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -58.5 | -36.6 | 177.9 | -73.3 | 110.4 | 0 | 0 | 0 | 113.7 | K108 N109 | W105-K108 HydrophobicContact CE3-CD 4.01Å; W105-K108 HydrophobicContact CZ3-CD 3.95Å; W105-K108 WeakPolarHBondContact O-CB 3.27Å; W105-K108 PolarHBondContact O-N 3.14Å; W105-N109 PolarHBondContact O-N 3.09Å |
| 106 | H | 94.8 | Very high | 93.6 | Very high | 85 Ų | 85 | 56.9 Ų | 56.9 | 39% | 0.394 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 177.1 | -179.5 | 63.2 | 0 | 0 | 0 | 111.6 | T77 C104 K108 N109 L110 | T77-H106 PolarHBondContact OG1-CD2 2.94Å; T77-H106 PolarHBondContact OG1-NE2 3.22Å; C104-H106 VanDerWaalsContact C-N 3.28Å; C104-H106 PolarHBondContact O-N 2.98Å; H106-K108 VanDerWaalsContact C-N 3.32Å; H106-K108 PolarHBondContact O-N 3.28Å; H106-N109 WeakPolarHBondContact O-CB 3.46Å; H106-N109 PolarHBondContact O-N 3.19Å; H106-L110 PolarHBondContact O-N 2.84Å |
| 107 | W | 96.3 | Very high | 93.8 | Very high | 36 Ų | 36 | 56.2 Ų | 56.2 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 175.6 | -77 | 41.8 | 0 | 0 | 0 | 112.2 | D75 F76 T77 F89 C100 V103 C104 L110 A111 | D75-W107 WeakPolarHBondContact OD1-CZ2 3.38Å; D75-W107 PolarHBondContact OD1-NE1 2.88Å; D75-W107 PolarHBondContact OD2-NE1 3.22Å; F76-W107 HydrophobicContact CD1-CH2 4.36Å; F76-W107 HydrophobicContact CD1-CZ2 4.11Å; F76-W107 AromaticContact CE1-CH2 3.61Å; F76-W107 HydrophobicContact CE1-CH2 3.61Å; F76-W107 AromaticContact CE1-CZ2 3.67Å; F76-W107 HydrophobicContact CE1-CZ2 3.67Å; F76-W107 HydrophobicContact CZ-CH2 4.34Å; F76-W107 HydrophobicContact CZ-CZ2 4.38Å; T77-W107 HydrophobicContact CG2-CZ2 4.29Å; T77-W107 PolarHBondContact OG1-NE1 3.02Å; F89-W107 HydrophobicContact CE1-CE3 4.4Å; F89-W107 AromaticContact CZ-CD2 3.94Å; F89-W107 HydrophobicContact CZ-CD2 3.94Å; F89-W107 AromaticContact CZ-CE3 3.85Å; F89-W107 HydrophobicContact CZ-CE3 3.85Å; F89-W107 HydrophobicContact CZ-CG 4.29Å; F89-W107 HydrophobicContact CZ-CZ3 4.34Å; C100-W107 HydrophobicContact CB-CE3 3.77Å; C100-W107 HydrophobicContact CB-CZ3 4.21Å; C100-W107 VanDerWaalsContact O-CB 3.27Å; C100-W107 WeakPolarHBondContact O-CB 3.45Å; V103-W107 HydrophobicContact CB-CB 4.29Å; V103-W107 HydrophobicContact CB-CD2 3.88Å; V103-W107 HydrophobicContact CB-CE3 3.73Å; V103-W107 HydrophobicContact CB-CG 4.14Å; V103-W107 HydrophobicContact CB-CZ3 4.36Å; V103-W107 HydrophobicContact CG1-CD2 3.91Å; V103-W107 HydrophobicContact CG1-CE3 4.06Å; V103-W107 HydrophobicContact CG1-CG 4.27Å; V103-W107 HydrophobicContact CG1-CZ3 4.45Å; V103-W107 HydrophobicContact CG2-CD2 4.29Å; V103-W107 HydrophobicContact CG2-CE3 3.63Å; V103-W107 HydrophobicContact CG2-CZ3 3.88Å; C104-W107 PolarHBondContact O-N 2.95Å; C104-W107 PolarHBondContact SG-N 3.14Å; C104-W107 VanDerWaalsContact SG-N 3.4Å; W107-L110 PolarHBondContact O-N 3.37Å; W107-A111 WeakPolarHBondContact O-CB 3.21Å; W107-A111 PolarHBondContact O-N 3.17Å |
| 108 | K | 94.8 | Very high | 93.9 | Very high | 74 Ų | 74 | 59.4 Ų | 59.4 | 32% | 0.322 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.5 | -50.8 | 171.9 | -175.7 | 174.6 | 177.2 | -178.5 | 0 | 111 | A101 C104 W105 H106 L110 A111 E112 | A101-K108 HydrophobicContact CB-CB 4.29Å; A101-K108 HydrophobicContact CB-CG 4.21Å; A101-K108 WeakPolarHBondContact O-CB 3.45Å; C104-K108 PolarHBondContact O-N 3.42Å; W105-K108 HydrophobicContact CE3-CD 4.01Å; W105-K108 HydrophobicContact CZ3-CD 3.95Å; W105-K108 WeakPolarHBondContact O-CB 3.27Å; W105-K108 PolarHBondContact O-N 3.14Å; H106-K108 VanDerWaalsContact C-N 3.32Å; H106-K108 PolarHBondContact O-N 3.28Å; K108-L110 VanDerWaalsContact C-N 3.32Å; K108-L110 PolarHBondContact O-N 2.84Å; K108-A111 PolarHBondContact O-N 3.48Å; K108-E112 WeakPolarHBondContact CE-OE2 3.41Å; K108-E112 HydrophobicContact CG-CG 4.31Å; K108-E112 WeakPolarHBondContact CG-OE2 3.33Å; K108-E112 WeakPolarHBondContact O-CB 3.43Å; K108-E112 VanDerWaalsContact O-CG 3.26Å; K108-E112 WeakPolarHBondContact O-CG 3.19Å; K108-E112 PolarHBondContact O-N 2.96Å; K108-E112 VanDerWaalsContact O-N 3.08Å |
| 109 | N | 94.5 | Very high | 93.9 | Very high | 80 Ų | 80 | 62.1 Ų | 62.1 | 43% | 0.428 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.5 | -47.8 | 178 | -174.5 | -78.8 | 0 | 0 | 0 | 111.2 | W105 H106 L113 | W105-N109 PolarHBondContact O-N 3.09Å; H106-N109 WeakPolarHBondContact O-CB 3.46Å; H106-N109 PolarHBondContact O-N 3.19Å; N109-L113 WeakPolarHBondContact O-CG 3.29Å |
| 110 | L | 95.3 | Very high | 93.9 | Very high | 3 Ų | 3 | 58.1 Ų | 58.1 | 2% | 0.016 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.3 | -46.1 | 179.1 | -68.1 | 176.4 | 0 | 0 | 0 | 113.1 | T77 R82 L86 F89 H106 W107 K108 E112 L113 L116 | T77-L110 HydrophobicContact CG2-CD1 3.81Å; R82-L110 HydrophobicContact CG-CD2 4.06Å; L86-L110 HydrophobicContact CD2-CB 4.45Å; L86-L110 HydrophobicContact CD2-CD2 4.06Å; L86-L110 HydrophobicContact CG-CD2 4.42Å; F89-L110 HydrophobicContact CE1-CB 4.47Å; H106-L110 PolarHBondContact O-N 2.84Å; W107-L110 PolarHBondContact O-N 3.37Å; K108-L110 VanDerWaalsContact C-N 3.32Å; K108-L110 PolarHBondContact O-N 2.84Å; L110-E112 VanDerWaalsContact C-N 3.26Å; L110-E112 PolarHBondContact O-N 3.16Å; L110-L113 HydrophobicContact CD2-CD1 4.19Å; L110-L113 PolarHBondContact O-N 2.57Å; L110-L116 WeakPolarHBondContact O-CD1 3.48Å |
| 111 | A | 95.8 | Very high | 93.8 | Very high | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -69.7 | -21.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | F89 L97 C100 A101 W107 K108 W117 | F89-A111 HydrophobicContact CD1-CB 4.11Å; F89-A111 HydrophobicContact CE1-CB 3.97Å; L97-A111 HydrophobicContact CD2-CB 4.3Å; C100-A111 HydrophobicContact CB-CB 4.43Å; A101-A111 HydrophobicContact CB-CB 4.12Å; W107-A111 WeakPolarHBondContact O-CB 3.21Å; W107-A111 PolarHBondContact O-N 3.17Å; K108-A111 PolarHBondContact O-N 3.48Å; A111-W117 PolarHBondContact O-NE1 3.36Å |
| 112 | E | 94 | Very high | 93.6 | Very high | 62 Ų | 62 | 59.4 Ų | 59.4 | 29% | 0.29 | 29% | 0.286 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -1.1 | -178.3 | -65.5 | -169.8 | 145.9 | 0 | 0 | 113.6 | K108 L110 K141 | K108-E112 WeakPolarHBondContact CE-OE2 3.41Å; K108-E112 HydrophobicContact CG-CG 4.31Å; K108-E112 WeakPolarHBondContact CG-OE2 3.33Å; K108-E112 WeakPolarHBondContact O-CB 3.43Å; K108-E112 VanDerWaalsContact O-CG 3.26Å; K108-E112 WeakPolarHBondContact O-CG 3.19Å; K108-E112 PolarHBondContact O-N 2.96Å; K108-E112 VanDerWaalsContact O-N 3.08Å; L110-E112 VanDerWaalsContact C-N 3.26Å; L110-E112 PolarHBondContact O-N 3.16Å; E112-K141 HydrophobicContact CB-CD 4.5Å; E112-K141 HydrophobicContact CG-CD 4.2Å; E112-K141 IonicContact OE1-NZ 3.38Å; E112-K141 PolarHBondContact OE1-NZ 3Å |
| 113 | L | 94.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 59 Ų | 59 | 13% | 0.126 | 28% | 0.278 | C | S | . | . | trans | -65.4 | 136.4 | -179.2 | -74.3 | 162.2 | 0 | 0 | 0 | 112.8 | L86 N109 L110 Q115 L116 W117 | L86-L113 HydrophobicContact CD1-CD1 4.08Å; L86-L113 HydrophobicContact CD2-CD1 3.44Å; L86-L113 VanDerWaalsContact CD2-CD1 3.44Å; L86-L113 HydrophobicContact CG-CD1 4.36Å; N109-L113 WeakPolarHBondContact O-CG 3.29Å; L110-L113 HydrophobicContact CD2-CD1 4.19Å; L110-L113 PolarHBondContact O-N 2.57Å; L113-Q115 PolarHBondContact O-N 2.92Å; L113-Q115 VanDerWaalsContact O-N 3.16Å; L113-L116 WeakPolarHBondContact O-CB 3.39Å; L113-L116 PolarHBondContact O-N 3.24Å; L113-W117 PolarHBondContact O-N 3.45Å | ||
| 114 | D | 93.3 | Very high | 93.2 | Very high | 28 Ų | 28 | 57.5 Ų | 57.5 | 15% | 0.15 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -29.2 | 179.7 | -78.7 | -38.3 | 0 | 0 | 0 | 113.5 | L116 W117 M118 G138 I139 W140 | D114-L116 PolarHBondContact O-N 2.99Å; D114-L116 VanDerWaalsContact O-N 3.16Å; D114-W117 PolarHBondContact O-N 3.38Å; D114-M118 WeakPolarHBondContact O-CB 3.38Å; D114-M118 PolarHBondContact O-N 2.91Å; D114-G138 VanDerWaalsContact OD1-CA 3.22Å; D114-G138 WeakPolarHBondContact OD1-CA 3.46Å; D114-G138 PolarHBondContact OD1-N 3.3Å; D114-G138 PolarHBondContact OD2-N 3.03Å; D114-I139 PolarHBondContact OD1-N 3.06Å; D114-I139 PolarHBondContact OD2-N 3.36Å; D114-W140 HydrophobicContact CB-CB 4.41Å; D114-W140 HydrophobicContact CB-CG 4.37Å; D114-W140 WeakPolarHBondContact OD1-CB 3.39Å; D114-W140 PolarHBondContact OD1-N 3.18Å |
| 115 | Q | 91.4 | Very high | 93.1 | Very high | 111 Ų | 111 | 60.5 Ų | 60.5 | 52% | 0.519 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57 | -31.7 | 174 | -58.8 | 179.7 | -89.3 | 0 | 0 | 112.7 | L113 | L113-Q115 PolarHBondContact O-N 2.92Å; L113-Q115 VanDerWaalsContact O-N 3.16Å |
| 116 | L | 94.2 | Very high | 93 | Very high | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -80.7 | -45.5 | 176.2 | -61.6 | 178.2 | 0 | 0 | 0 | 111.5 | L86 F89 L97 L110 L113 D114 K120 | L86-L116 HydrophobicContact CD2-CD1 4.27Å; L86-L116 HydrophobicContact CD2-CD2 4.38Å; L86-L116 HydrophobicContact CD2-CG 4.3Å; L86-L116 WeakPolarHBondContact O-CD2 3.28Å; F89-L116 HydrophobicContact CB-CD1 3.86Å; F89-L116 HydrophobicContact CB-CD2 4.1Å; F89-L116 HydrophobicContact CD1-CD1 4.47Å; L97-L116 HydrophobicContact CD2-CD1 4.14Å; L110-L116 WeakPolarHBondContact O-CD1 3.48Å; L113-L116 WeakPolarHBondContact O-CB 3.39Å; L113-L116 PolarHBondContact O-N 3.24Å; D114-L116 PolarHBondContact O-N 2.99Å; D114-L116 VanDerWaalsContact O-N 3.16Å; L116-K120 WeakPolarHBondContact O-CD 3.28Å; L116-K120 WeakPolarHBondContact O-CE 3.46Å; L116-K120 WeakPolarHBondContact O-CG 3.5Å |
| 117 | W | 94.2 | Very high | 92.9 | Very high | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -77.1 | -30.4 | -173 | -69.3 | 89.3 | 0 | 0 | 0 | 112.9 | P94 L97 A111 L113 D114 K120 C121 W140 K141 Y144 | P94-W117 HydrophobicContact CB-CH2 3.9Å; P94-W117 HydrophobicContact CB-CZ3 3.85Å; L97-W117 HydrophobicContact CB-CZ2 4.37Å; A111-W117 PolarHBondContact O-NE1 3.36Å; L113-W117 PolarHBondContact O-N 3.45Å; D114-W117 PolarHBondContact O-N 3.38Å; W117-K120 WeakPolarHBondContact O-CB 3.37Å; W117-K120 PolarHBondContact O-N 2.81Å; W117-K120 VanDerWaalsContact O-N 3.14Å; W117-C121 PolarHBondContact O-N 3.18Å; W117-C121 PolarHBondContact O-SG 3.31Å; W117-W140 HydrophobicContact CB-CB 3.66Å; W117-K141 HydrophobicContact CB-CB 4.25Å; W117-K141 HydrophobicContact CD2-CB 3.64Å; W117-K141 HydrophobicContact CD2-CD 4.38Å; W117-K141 HydrophobicContact CD2-CG 3.75Å; W117-K141 HydrophobicContact CE3-CB 4.16Å; W117-K141 HydrophobicContact CE3-CG 4.06Å; W117-K141 HydrophobicContact CG-CB 3.65Å; W117-K141 HydrophobicContact CG-CG 4.28Å; W117-K141 HydrophobicContact CH2-CD 4.48Å; W117-K141 HydrophobicContact CH2-CG 4.12Å; W117-K141 HydrophobicContact CZ2-CD 3.83Å; W117-K141 HydrophobicContact CZ2-CG 3.83Å; W117-K141 HydrophobicContact CZ3-CG 4.22Å; W117-Y144 HydrophobicContact CE3-CD1 4.09Å; W117-Y144 HydrophobicContact CE3-CD2 4.38Å; W117-Y144 AromaticContact CE3-CG 3.83Å; W117-Y144 HydrophobicContact CE3-CG 3.83Å; W117-Y144 AromaticContact CZ3-CD1 3.63Å; W117-Y144 HydrophobicContact CZ3-CD1 3.63Å; W117-Y144 HydrophobicContact CZ3-CE1 4.2Å; W117-Y144 AromaticContact CZ3-CG 3.87Å; W117-Y144 HydrophobicContact CZ3-CG 3.87Å |
| 118 | M | 93.4 | Very high | 92.6 | Very high | 68 Ų | 68 | 53.6 Ų | 53.6 | 34% | 0.335 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -56.6 | -52.3 | 173.4 | 179.1 | -178.5 | 75.2 | 0 | 0 | 111 | D114 K120 C121 L122 W140 | D114-M118 WeakPolarHBondContact O-CB 3.38Å; D114-M118 PolarHBondContact O-N 2.91Å; M118-K120 PolarHBondContact O-N 3.25Å; M118-K120 VanDerWaalsContact O-N 3.16Å; M118-C121 PolarHBondContact O-N 3.21Å; M118-C121 VanDerWaalsContact O-N 3.17Å; M118-L122 HydrophobicContact CG-CD1 3.73Å; M118-L122 HydrophobicContact CG-CG 4.14Å; M118-L122 WeakPolarHBondContact O-CB 3.44Å; M118-L122 VanDerWaalsContact O-CG 3.26Å; M118-L122 WeakPolarHBondContact O-CG 3.48Å; M118-L122 PolarHBondContact O-N 3.31Å; M118-L122 HydrophobicContact SD-CD1 4.43Å; M118-W140 HydrophobicContact CB-CB 4.42Å; M118-W140 HydrophobicContact CB-CD2 3.6Å; M118-W140 HydrophobicContact CB-CE3 4.08Å; M118-W140 HydrophobicContact CB-CG 3.77Å; M118-W140 HydrophobicContact CB-CZ2 4.31Å; M118-W140 HydrophobicContact CG-CD2 3.84Å; M118-W140 HydrophobicContact CG-CE3 4.14Å; M118-W140 HydrophobicContact CG-CG 4.47Å; M118-W140 HydrophobicContact CG-CH2 3.92Å; M118-W140 HydrophobicContact CG-CZ2 3.62Å; M118-W140 HydrophobicContact CG-CZ3 4.17Å; M118-W140 HydrophobicContact SD-CZ2 4.07Å |
| 119 | L | 91.4 | Very high | 92.2 | Very high | 101 Ų | 101 | 58.1 Ų | 58.1 | 53% | 0.529 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -57.9 | -33.1 | 178.5 | -65.8 | 174.6 | 0 | 0 | 0 | 112.2 | R123 | L119-R123 PolarHBondContact O-N 2.68Å |
| 120 | K | 91.2 | Very high | 91.8 | Very high | 23 Ų | 23 | 60 Ų | 60 | 10% | 0.1 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -74.4 | -41.3 | 179.5 | -64.9 | 164.5 | -156.8 | -69.3 | 0 | 111.8 | S90 L92 P94 L97 L116 W117 M118 F124 Y144 | S90-K120 PolarHBondContact O-NZ 3.24Å; S90-K120 VanDerWaalsContact O-NZ 3.13Å; L92-K120 PolarHBondContact O-NZ 3.42Å; P94-K120 HydrophobicContact CG-CD 4.2Å; L97-K120 HydrophobicContact CD1-CD 4Å; L116-K120 WeakPolarHBondContact O-CD 3.28Å; L116-K120 WeakPolarHBondContact O-CE 3.46Å; L116-K120 WeakPolarHBondContact O-CG 3.5Å; W117-K120 WeakPolarHBondContact O-CB 3.37Å; W117-K120 PolarHBondContact O-N 2.81Å; W117-K120 VanDerWaalsContact O-N 3.14Å; M118-K120 PolarHBondContact O-N 3.25Å; M118-K120 VanDerWaalsContact O-N 3.16Å; K120-F124 WeakPolarHBondContact O-CD2 3.3Å; K120-Y144 HydrophobicContact CB-CD2 4.2Å; K120-Y144 HydrophobicContact CB-CE2 4.07Å |
| 121 | C | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -47.5 | 173.6 | -68.8 | 0 | 0 | 0 | 0 | 111.7 | W117 M118 R123 F124 N125 W126 W140 | W117-C121 PolarHBondContact O-N 3.18Å; W117-C121 PolarHBondContact O-SG 3.31Å; M118-C121 PolarHBondContact O-N 3.21Å; M118-C121 VanDerWaalsContact O-N 3.17Å; C121-R123 PolarHBondContact O-N 3.19Å; C121-F124 PolarHBondContact O-N 3.15Å; C121-N125 PolarHBondContact O-N 3.44Å; C121-W126 HydrophobicContact CB-CB 4.1Å; C121-W126 PolarHBondContact O-N 3.17Å; C121-W140 HydrophobicContact CB-CE3 3.62Å; C121-W140 HydrophobicContact CB-CZ3 3.76Å |
| 122 | L | 91.4 | Very high | 90.6 | Very high | 60 Ų | 60 | 66.8 Ų | 66.8 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61 | -30.5 | -178.6 | -69.8 | 179 | 0 | 0 | 0 | 112.4 | M118 F124 N125 Y127 W140 | M118-L122 HydrophobicContact CG-CD1 3.73Å; M118-L122 HydrophobicContact CG-CG 4.14Å; M118-L122 WeakPolarHBondContact O-CB 3.44Å; M118-L122 VanDerWaalsContact O-CG 3.26Å; M118-L122 WeakPolarHBondContact O-CG 3.48Å; M118-L122 PolarHBondContact O-N 3.31Å; M118-L122 HydrophobicContact SD-CD1 4.43Å; L122-F124 PolarHBondContact O-N 3.1Å; L122-N125 PolarHBondContact O-N 3.13Å; L122-Y127 HydrophobicContact CD2-CD1 3.57Å; L122-Y127 HydrophobicContact CD2-CE1 3.51Å; L122-W140 HydrophobicContact CD2-CH2 4.24Å; L122-W140 HydrophobicContact CD2-CZ3 4.43Å |
| 123 | R | 90 | Very high | 90.1 | Very high | 126 Ų | 126 | 67 Ų | 67 | 48% | 0.475 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -23.5 | 174.7 | -155.9 | -170.2 | 72.4 | 168.9 | 12.5 | 113.7 | L119 C121 D224 | L119-R123 PolarHBondContact O-N 2.68Å; C121-R123 PolarHBondContact O-N 3.19Å; R123-D224 IonicContact CZ-OD1 2.87Å; R123-D224 IonicContact CZ-OD2 3.01Å; R123-D224 IonicContact NH1-OD1 3.81Å; R123-D224 PolarHBondContact NH1-OD1 3.44Å; R123-D224 IonicContact NH1-OD2 2.72Å; R123-D224 PolarHBondContact NH1-OD2 2.94Å; R123-D224 IonicContact NH2-OD1 3.26Å; R123-D224 PolarHBondContact NH2-OD1 3.4Å; R123-D224 IonicContact NH2-OD2 2.68Å; R123-D224 PolarHBondContact NH2-OD2 3.26Å |
| 124 | F | 87.8 | Confident | 89.4 | Confident | 56 Ų | 56 | 71.7 Ų | 71.7 | 25% | 0.246 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 13.8 | 174.6 | -60.9 | -72.2 | 0 | 0 | 0 | 112.5 | K120 C121 L122 W126 Y144 L223 | K120-F124 WeakPolarHBondContact O-CD2 3.3Å; C121-F124 PolarHBondContact O-N 3.15Å; L122-F124 PolarHBondContact O-N 3.1Å; F124-W126 HydrophobicContact CB-CD2 3.79Å; F124-W126 VanDerWaalsContact CB-CE2 3.5Å; F124-W126 HydrophobicContact CB-CE3 4.39Å; F124-W126 HydrophobicContact CB-CG 4.05Å; F124-W126 HydrophobicContact CB-CZ2 3.85Å; F124-W126 HydrophobicContact CD2-CE3 4.46Å; F124-W126 HydrophobicContact CD2-CH2 4.22Å; F124-W126 HydrophobicContact CD2-CZ2 4.3Å; F124-W126 HydrophobicContact CD2-CZ3 4.28Å; F124-W126 HydrophobicContact CG-CH2 4.43Å; F124-W126 HydrophobicContact CG-CZ2 4.06Å; F124-W126 PolarHBondContact O-N 3.49Å; F124-W126 PolarHBondContact O-NE1 3Å; F124-Y144 HydrophobicContact CD2-CE2 4.32Å; F124-Y144 HydrophobicContact CE2-CE2 4.11Å; F124-L223 HydrophobicContact CD2-CD1 4.01Å; F124-L223 HydrophobicContact CE1-CB 3.72Å; F124-L223 HydrophobicContact CE1-CD1 4.06Å; F124-L223 HydrophobicContact CE1-CG 4.48Å; F124-L223 HydrophobicContact CE2-CB 4.08Å; F124-L223 HydrophobicContact CE2-CD1 3.49Å; F124-L223 VanDerWaalsContact CE2-CD1 3.49Å; F124-L223 HydrophobicContact CE2-CG 4.47Å; F124-L223 HydrophobicContact CZ-CB 3.27Å; F124-L223 HydrophobicContact CZ-CD1 3.5Å; F124-L223 HydrophobicContact CZ-CG 4.04Å |
| 125 | N | 90.9 | Very high | 88.9 | Confident | 112 Ų | 112 | 79.1 Ų | 79.1 | 60% | 0.599 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 32.4 | -174.3 | -64.5 | 43.1 | 0 | 0 | 0 | 112.6 | C121 L122 Y127 | C121-N125 PolarHBondContact O-N 3.44Å; L122-N125 PolarHBondContact O-N 3.13Å; N125-Y127 HydrophobicContact CB-CE2 3.89Å; N125-Y127 WeakPolarHBondContact O-CD2 3.45Å; N125-Y127 VanDerWaalsContact O-CE2 3.23Å; N125-Y127 WeakPolarHBondContact O-CE2 3.5Å |
| 126 | W | 92.6 | Very high | 88.6 | Confident | 25 Ų | 25 | 78.1 Ų | 78.1 | 10% | 0.095 | 39% | 0.394 | C | S | . | . | trans | -89.6 | 114.7 | 172.9 | -58.7 | -16.1 | 0 | 0 | 0 | 109.4 | C121 F124 Y144 M147 V148 L151 L223 | C121-W126 HydrophobicContact CB-CB 4.1Å; C121-W126 PolarHBondContact O-N 3.17Å; F124-W126 HydrophobicContact CB-CD2 3.79Å; F124-W126 VanDerWaalsContact CB-CE2 3.5Å; F124-W126 HydrophobicContact CB-CE3 4.39Å; F124-W126 HydrophobicContact CB-CG 4.05Å; F124-W126 HydrophobicContact CB-CZ2 3.85Å; F124-W126 HydrophobicContact CD2-CE3 4.46Å; F124-W126 HydrophobicContact CD2-CH2 4.22Å; F124-W126 HydrophobicContact CD2-CZ2 4.3Å; F124-W126 HydrophobicContact CD2-CZ3 4.28Å; F124-W126 HydrophobicContact CG-CH2 4.43Å; F124-W126 HydrophobicContact CG-CZ2 4.06Å; F124-W126 PolarHBondContact O-N 3.49Å; F124-W126 PolarHBondContact O-NE1 3Å; W126-Y144 HydrophobicContact CE3-CD2 4.19Å; W126-Y144 AromaticContact CZ3-CD2 3.75Å; W126-Y144 HydrophobicContact CZ3-CD2 3.75Å; W126-Y144 AromaticContact CZ3-CE2 3.82Å; W126-Y144 HydrophobicContact CZ3-CE2 3.82Å; W126-Y144 HydrophobicContact CZ3-CG 4.23Å; W126-M147 HydrophobicContact CB-CG 4.19Å; W126-M147 HydrophobicContact CD2-CB 3.51Å; W126-M147 HydrophobicContact CD2-CE 4.3Å; W126-M147 HydrophobicContact CD2-CG 3.64Å; W126-M147 HydrophobicContact CE3-CB 3.29Å; W126-M147 HydrophobicContact CE3-CG 3.65Å; W126-M147 HydrophobicContact CG-CB 4.27Å; W126-M147 HydrophobicContact CG-CE 4.22Å; W126-M147 HydrophobicContact CG-CG 3.88Å; W126-M147 HydrophobicContact CH2-CB 3.73Å; W126-M147 HydrophobicContact CZ2-CB 4.01Å; W126-M147 HydrophobicContact CZ3-CB 3.38Å; W126-M147 HydrophobicContact CZ3-CG 4.25Å; W126-V148 HydrophobicContact CH2-CG2 3.94Å; W126-V148 HydrophobicContact CZ3-CG2 4.15Å; W126-L151 HydrophobicContact CH2-CD1 4.04Å; W126-L151 HydrophobicContact CZ2-CD1 3.28Å; W126-L151 HydrophobicContact CZ2-CG 4.48Å; W126-L223 HydrophobicContact CH2-CD1 3.44Å; W126-L223 VanDerWaalsContact CH2-CD1 3.44Å; W126-L223 HydrophobicContact CZ2-CD1 4.13Å; W126-L223 HydrophobicContact CZ3-CD1 4.22Å | ||
| 127 | Y | 91.8 | Very high | 88.2 | Confident | 136 Ų | 136 | 84.7 Ų | 84.7 | 53% | 0.533 | 42% | 0.424 | S | S | . | . | trans | -112.2 | 147.9 | -178.3 | -56 | -81 | 0 | 0 | 0 | 110.4 | L122 N125 | L122-Y127 HydrophobicContact CD2-CD1 3.57Å; L122-Y127 HydrophobicContact CD2-CE1 3.51Å; N125-Y127 HydrophobicContact CB-CE2 3.89Å; N125-Y127 WeakPolarHBondContact O-CD2 3.45Å; N125-Y127 VanDerWaalsContact O-CE2 3.23Å; N125-Y127 WeakPolarHBondContact O-CE2 3.5Å | ||
| 128 | I | 90.4 | Very high | 88 | Confident | 26 Ų | 26 | 85 Ų | 85 | 13% | 0.133 | 43% | 0.428 | C | S | . | . | trans | -94.4 | 129.4 | 172.5 | -57.4 | -175.7 | 0 | 0 | 0 | 107.6 | F130 I139 W140 H143 | I128-F130 HydrophobicContact CG2-CD1 3.3Å; I128-F130 HydrophobicContact CG2-CD2 4.14Å; I128-F130 HydrophobicContact CG2-CE1 3.23Å; I128-F130 HydrophobicContact CG2-CE2 4.09Å; I128-F130 HydrophobicContact CG2-CG 3.77Å; I128-F130 HydrophobicContact CG2-CZ 3.65Å; I128-F130 WeakPolarHBondContact CG2-O 3.39Å; I128-F130 PolarHBondContact O-N 3.02Å; I128-I139 HydrophobicContact CD1-CG2 3.6Å; I128-W140 HydrophobicContact CB-CH2 4.4Å; I128-W140 HydrophobicContact CD1-CD2 3.53Å; I128-W140 HydrophobicContact CD1-CE3 3.69Å; I128-W140 HydrophobicContact CD1-CG 4.04Å; I128-W140 HydrophobicContact CD1-CH2 4.14Å; I128-W140 HydrophobicContact CD1-CZ2 3.97Å; I128-W140 HydrophobicContact CD1-CZ3 4Å; I128-W140 HydrophobicContact CG1-CD2 4.28Å; I128-W140 HydrophobicContact CG1-CE3 3.99Å; I128-W140 HydrophobicContact CG1-CH2 3.91Å; I128-W140 HydrophobicContact CG1-CZ2 4.16Å; I128-W140 HydrophobicContact CG1-CZ3 3.81Å; I128-H143 HydrophobicContact CD1-CB 4.08Å; I128-H143 HydrophobicContact CG1-CB 4.32Å | ||
| 129 | N | 86.6 | Confident | 88 | Confident | 170 Ų | 170 | 82.5 Ų | 82.5 | 91% | 0.909 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -78.6 | 6 | -176.8 | -61.4 | -36.1 | 0 | 0 | 0 | 113.8 | ||
| 130 | F | 86.9 | Confident | 88.1 | Confident | 118 Ų | 118 | 79.1 Ų | 79.1 | 52% | 0.518 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -136 | 155.6 | 178.4 | 68.2 | -93.1 | 0 | 0 | 0 | 109.8 | I128 P132 I139 | I128-F130 HydrophobicContact CG2-CD1 3.3Å; I128-F130 HydrophobicContact CG2-CD2 4.14Å; I128-F130 HydrophobicContact CG2-CE1 3.23Å; I128-F130 HydrophobicContact CG2-CE2 4.09Å; I128-F130 HydrophobicContact CG2-CG 3.77Å; I128-F130 HydrophobicContact CG2-CZ 3.65Å; I128-F130 WeakPolarHBondContact CG2-O 3.39Å; I128-F130 PolarHBondContact O-N 3.02Å; F130-P132 HydrophobicContact CE2-CB 4.25Å; F130-P132 WeakPolarHBondContact O-CD 3.39Å; F130-I139 HydrophobicContact CE2-CD1 4.11Å; F130-I139 HydrophobicContact CE2-CG2 4.2Å; F130-I139 HydrophobicContact CZ-CD1 4.48Å; F130-I139 HydrophobicContact CZ-CG2 3.82Å |
| 131 | S | 80.4 | Confident | 88.2 | Confident | 110 Ų | 110 | 79.6 Ų | 79.6 | 77% | 0.769 | 40% | 0.399 | S | S | * | . | trans | -85.6 | 108.6 | 173.4 | -178.7 | 0 | 0 | 0 | 0 | 109 | T133 | S131-T133 PolarHBondContact O-N 3.46Š| ||
| 132 | P | 84.2 | Confident | 88.2 | Confident | 38 Ų | 38 | 86.5 Ų | 86.5 | 25% | 0.247 | 43% | 0.429 | C | S | . | . | trans | -58.1 | 140.2 | 173.6 | 22.1 | -31.1 | 0 | 0 | 0 | 110.6 | F130 I139 | F130-P132 HydrophobicContact CE2-CB 4.25Å; F130-P132 WeakPolarHBondContact O-CD 3.39Å; P132-I139 HydrophobicContact CB-CB 4.44Å; P132-I139 HydrophobicContact CB-CD1 3.37Å; P132-I139 HydrophobicContact CB-CG1 4.43Å; P132-I139 HydrophobicContact CB-CG2 4.34Å | ||
| 133 | T | 84.8 | Confident | 88.3 | Confident | 65 Ų | 65 | 85.2 Ų | 85.2 | 40% | 0.399 | 42% | 0.421 | S | S | . | . | trans | -73.8 | 152.6 | 175.7 | 64.4 | 0 | 0 | 0 | 0 | 110 | S131 F135 E136 | S131-T133 PolarHBondContact O-N 3.46Å; T133-F135 PolarHBondContact O-N 3.4Å; T133-E136 PolarHBondContact N-OE2 2.9Å; T133-E136 PolarHBondContact O-N 2.95Å; T133-E136 VanDerWaalsContact O-N 3.1Å; T133-E136 WeakPolarHBondContact OG1-CG 3.3Å; T133-E136 PolarHBondContact OG1-OE2 3.45Å | ||
| 134 | P | 79.3 | Confident | 88.4 | Confident | 123 Ų | 123 | 79.9 Ų | 79.9 | 80% | 0.799 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -17.4 | 179.7 | -25.1 | 34.7 | 0 | 0 | 0 | 114.8 | ||
| 135 | F | 83.1 | Confident | 88.5 | Confident | 185 Ų | 185 | 80 Ų | 80 | 81% | 0.811 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | -16.8 | -177.5 | -54.4 | -70 | 0 | 0 | 0 | 113 | T133 | T133-F135 PolarHBondContact O-N 3.4Š|
| 136 | E | 84.7 | Confident | 88.5 | Confident | 90 Ų | 90 | 79.6 Ų | 79.6 | 42% | 0.421 | 40% | 0.398 | S | S | . | . | trans | -84.1 | 128.1 | 178.2 | -70 | 165.4 | 138.7 | 0 | 0 | 110.3 | T133 I139 | T133-E136 PolarHBondContact N-OE2 2.9Å; T133-E136 PolarHBondContact O-N 2.95Å; T133-E136 VanDerWaalsContact O-N 3.1Å; T133-E136 WeakPolarHBondContact OG1-CG 3.3Å; T133-E136 PolarHBondContact OG1-OE2 3.45Å; E136-I139 HydrophobicContact CB-CD1 3.23Å; E136-I139 HydrophobicContact CB-CG1 3.91Å; E136-I139 HydrophobicContact CG-CD1 3.96Å; E136-I139 WeakPolarHBondContact OE2-CD1 3.36Å | ||
| 137 | Q | 85.9 | Confident | 88.4 | Confident | 142 Ų | 142 | 80 Ų | 80 | 66% | 0.664 | 40% | 0.401 | S | S | * | . | trans | -113.5 | 140.6 | -178.2 | -64.2 | -178.9 | 4.6 | 0 | 0 | 111.5 | I139 | Q137-I139 VanDerWaalsContact C-N 3.32Å; Q137-I139 PolarHBondContact O-N 2.84Å | ||
| 138 | G | 89.4 | Confident | 88.1 | Confident | 10 Ų | 10 | 75 Ų | 75 | 10% | 0.103 | 39% | 0.386 | C | S | . | . | S | Bend | trans | 74.9 | 21.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | D114 K141 K142 | D114-G138 VanDerWaalsContact OD1-CA 3.22Å; D114-G138 WeakPolarHBondContact OD1-CA 3.46Å; D114-G138 PolarHBondContact OD1-N 3.3Å; D114-G138 PolarHBondContact OD2-N 3.03Å; G138-K141 PolarHBondContact O-N 2.72Å; G138-K142 VanDerWaalsContact O-CG 3.31Å; G138-K142 WeakPolarHBondContact O-CG 3.46Å; G138-K142 PolarHBondContact O-N 3.02Å |
| 139 | I | 93.6 | Very high | 87.8 | Confident | 17 Ų | 17 | 81 Ų | 81 | 9% | 0.087 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 176.2 | -69.9 | -175.8 | 0 | 0 | 0 | 110.4 | D114 I128 F130 P132 E136 Q137 K141 K142 H143 | D114-I139 PolarHBondContact OD1-N 3.06Å; D114-I139 PolarHBondContact OD2-N 3.36Å; I128-I139 HydrophobicContact CD1-CG2 3.6Å; F130-I139 HydrophobicContact CE2-CD1 4.11Å; F130-I139 HydrophobicContact CE2-CG2 4.2Å; F130-I139 HydrophobicContact CZ-CD1 4.48Å; F130-I139 HydrophobicContact CZ-CG2 3.82Å; P132-I139 HydrophobicContact CB-CB 4.44Å; P132-I139 HydrophobicContact CB-CD1 3.37Å; P132-I139 HydrophobicContact CB-CG1 4.43Å; P132-I139 HydrophobicContact CB-CG2 4.34Å; E136-I139 HydrophobicContact CB-CD1 3.23Å; E136-I139 HydrophobicContact CB-CG1 3.91Å; E136-I139 HydrophobicContact CG-CD1 3.96Å; E136-I139 WeakPolarHBondContact OE2-CD1 3.36Å; Q137-I139 VanDerWaalsContact C-N 3.32Å; Q137-I139 PolarHBondContact O-N 2.84Å; I139-K141 VanDerWaalsContact C-N 3.3Å; I139-K141 PolarHBondContact O-N 2.87Å; I139-K142 PolarHBondContact O-N 3.23Å; I139-H143 WeakPolarHBondContact O-CB 3.45Å; I139-H143 PolarHBondContact O-N 3.02Å |
| 140 | W | 93.8 | Very high | 87.7 | Confident | 30 Ų | 30 | 77.8 Ų | 77.8 | 11% | 0.114 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -67.6 | -33.8 | -179.3 | -72.6 | 90.2 | 0 | 0 | 0 | 111.6 | D114 W117 M118 C121 L122 I128 H143 Y144 | D114-W140 HydrophobicContact CB-CB 4.41Å; D114-W140 HydrophobicContact CB-CG 4.37Å; D114-W140 WeakPolarHBondContact OD1-CB 3.39Å; D114-W140 PolarHBondContact OD1-N 3.18Å; W117-W140 HydrophobicContact CB-CB 3.66Å; M118-W140 HydrophobicContact CB-CB 4.42Å; M118-W140 HydrophobicContact CB-CD2 3.6Å; M118-W140 HydrophobicContact CB-CE3 4.08Å; M118-W140 HydrophobicContact CB-CG 3.77Å; M118-W140 HydrophobicContact CB-CZ2 4.31Å; M118-W140 HydrophobicContact CG-CD2 3.84Å; M118-W140 HydrophobicContact CG-CE3 4.14Å; M118-W140 HydrophobicContact CG-CG 4.47Å; M118-W140 HydrophobicContact CG-CH2 3.92Å; M118-W140 HydrophobicContact CG-CZ2 3.62Å; M118-W140 HydrophobicContact CG-CZ3 4.17Å; M118-W140 HydrophobicContact SD-CZ2 4.07Å; C121-W140 HydrophobicContact CB-CE3 3.62Å; C121-W140 HydrophobicContact CB-CZ3 3.76Å; L122-W140 HydrophobicContact CD2-CH2 4.24Å; L122-W140 HydrophobicContact CD2-CZ3 4.43Å; I128-W140 HydrophobicContact CB-CH2 4.4Å; I128-W140 HydrophobicContact CD1-CD2 3.53Å; I128-W140 HydrophobicContact CD1-CE3 3.69Å; I128-W140 HydrophobicContact CD1-CG 4.04Å; I128-W140 HydrophobicContact CD1-CH2 4.14Å; I128-W140 HydrophobicContact CD1-CZ2 3.97Å; I128-W140 HydrophobicContact CD1-CZ3 4Å; I128-W140 HydrophobicContact CG1-CD2 4.28Å; I128-W140 HydrophobicContact CG1-CE3 3.99Å; I128-W140 HydrophobicContact CG1-CH2 3.91Å; I128-W140 HydrophobicContact CG1-CZ2 4.16Å; I128-W140 HydrophobicContact CG1-CZ3 3.81Å; W140-H143 PolarHBondContact O-N 3.46Å; W140-Y144 WeakPolarHBondContact O-CB 3.3Å; W140-Y144 PolarHBondContact O-N 3.21Å |
| 141 | K | 93.1 | Very high | 87.1 | Confident | 32 Ų | 32 | 76.5 Ų | 76.5 | 14% | 0.139 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 172.4 | -178.5 | 175.5 | 176.3 | 178 | 0 | 111.5 | E112 W117 G138 I139 Y144 I145 | E112-K141 HydrophobicContact CB-CD 4.5Å; E112-K141 HydrophobicContact CG-CD 4.2Å; E112-K141 IonicContact OE1-NZ 3.38Å; E112-K141 PolarHBondContact OE1-NZ 3Å; W117-K141 HydrophobicContact CB-CB 4.25Å; W117-K141 HydrophobicContact CD2-CB 3.64Å; W117-K141 HydrophobicContact CD2-CD 4.38Å; W117-K141 HydrophobicContact CD2-CG 3.75Å; W117-K141 HydrophobicContact CE3-CB 4.16Å; W117-K141 HydrophobicContact CE3-CG 4.06Å; W117-K141 HydrophobicContact CG-CB 3.65Å; W117-K141 HydrophobicContact CG-CG 4.28Å; W117-K141 HydrophobicContact CH2-CD 4.48Å; W117-K141 HydrophobicContact CH2-CG 4.12Å; W117-K141 HydrophobicContact CZ2-CD 3.83Å; W117-K141 HydrophobicContact CZ2-CG 3.83Å; W117-K141 HydrophobicContact CZ3-CG 4.22Å; G138-K141 PolarHBondContact O-N 2.72Å; I139-K141 VanDerWaalsContact C-N 3.3Å; I139-K141 PolarHBondContact O-N 2.87Å; K141-Y144 PolarHBondContact O-N 2.95Å; K141-I145 HydrophobicContact CG-CD1 4.11Å; K141-I145 VanDerWaalsContact O-CG1 3.3Å; K141-I145 WeakPolarHBondContact O-CG1 3.45Å; K141-I145 PolarHBondContact O-N 2.87Å |
| 142 | K | 92.3 | Very high | 86.4 | Confident | 146 Ų | 146 | 78.9 Ų | 78.9 | 64% | 0.635 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.5 | -46.4 | 176.8 | -71.9 | 169.3 | -176.1 | 172.3 | 0 | 111 | G138 I139 Y144 I145 Q146 | G138-K142 VanDerWaalsContact O-CG 3.31Å; G138-K142 WeakPolarHBondContact O-CG 3.46Å; G138-K142 PolarHBondContact O-N 3.02Å; I139-K142 PolarHBondContact O-N 3.23Å; K142-Y144 PolarHBondContact O-N 2.9Å; K142-I145 PolarHBondContact O-N 3.42Å; K142-Q146 PolarHBondContact O-N 3.42Å |
| 143 | H | 93.1 | Very high | 85.2 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 15% | 0.148 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.3 | -45.6 | 176.8 | -177.2 | 63 | 0 | 0 | 0 | 111.7 | I128 I139 W140 I145 Q146 M147 | I128-H143 HydrophobicContact CD1-CB 4.08Å; I128-H143 HydrophobicContact CG1-CB 4.32Å; I139-H143 WeakPolarHBondContact O-CB 3.45Å; I139-H143 PolarHBondContact O-N 3.02Å; W140-H143 PolarHBondContact O-N 3.46Å; H143-I145 VanDerWaalsContact C-N 3.32Å; H143-I145 PolarHBondContact O-N 3.37Å; H143-Q146 WeakPolarHBondContact O-CB 3.11Å; H143-Q146 PolarHBondContact O-N 3Å; H143-Q146 VanDerWaalsContact O-N 3.12Å; H143-M147 WeakPolarHBondContact O-CG 3.29Å; H143-M147 PolarHBondContact O-N 2.98Å |
| 144 | Y | 92.1 | Very high | 83.4 | Confident | 14 Ų | 14 | 82 Ų | 82 | 6% | 0.055 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -55.1 | -47.7 | 175 | -171.5 | -85.3 | 0 | 0 | 0 | 111.9 | P94 W117 K120 F124 W126 W140 K141 K142 Q146 M147 V148 L223 | P94-Y144 HydrophobicContact CB-CE1 3.96Å; P94-Y144 HydrophobicContact CG-CE1 3.89Å; P94-Y144 HydrophobicContact CG-CE2 4.22Å; P94-Y144 WeakPolarHBondContact CG-OH 3.26Å; W117-Y144 HydrophobicContact CE3-CD1 4.09Å; W117-Y144 HydrophobicContact CE3-CD2 4.38Å; W117-Y144 AromaticContact CE3-CG 3.83Å; W117-Y144 HydrophobicContact CE3-CG 3.83Å; W117-Y144 AromaticContact CZ3-CD1 3.63Å; W117-Y144 HydrophobicContact CZ3-CD1 3.63Å; W117-Y144 HydrophobicContact CZ3-CE1 4.2Å; W117-Y144 AromaticContact CZ3-CG 3.87Å; W117-Y144 HydrophobicContact CZ3-CG 3.87Å; K120-Y144 HydrophobicContact CB-CD2 4.2Å; K120-Y144 HydrophobicContact CB-CE2 4.07Å; F124-Y144 HydrophobicContact CD2-CE2 4.32Å; F124-Y144 HydrophobicContact CE2-CE2 4.11Å; W126-Y144 HydrophobicContact CE3-CD2 4.19Å; W126-Y144 AromaticContact CZ3-CD2 3.75Å; W126-Y144 HydrophobicContact CZ3-CD2 3.75Å; W126-Y144 AromaticContact CZ3-CE2 3.82Å; W126-Y144 HydrophobicContact CZ3-CE2 3.82Å; W126-Y144 HydrophobicContact CZ3-CG 4.23Å; W140-Y144 WeakPolarHBondContact O-CB 3.3Å; W140-Y144 PolarHBondContact O-N 3.21Å; K141-Y144 PolarHBondContact O-N 2.95Å; K142-Y144 PolarHBondContact O-N 2.9Å; Y144-Q146 VanDerWaalsContact C-N 3.32Å; Y144-Q146 PolarHBondContact O-N 3.43Å; Y144-M147 PolarHBondContact O-N 3.37Å; Y144-V148 HydrophobicContact CD1-CG2 3.88Å; Y144-V148 HydrophobicContact CE1-CG2 3.5Å; Y144-V148 VanDerWaalsContact O-CG2 3.26Å; Y144-V148 WeakPolarHBondContact O-CG2 3.45Å; Y144-V148 PolarHBondContact O-N 3.22Å; Y144-L223 HydrophobicContact CE2-CD1 4.41Å; Y144-L223 WeakPolarHBondContact OH-CD1 3.42Å |
| 145 | I | 90.3 | Very high | 82 | Confident | 59 Ų | 59 | 82.5 Ų | 82.5 | 30% | 0.303 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 179.3 | -67.5 | 165.5 | 0 | 0 | 0 | 110.9 | K141 K142 H143 K149 | K141-I145 HydrophobicContact CG-CD1 4.11Å; K141-I145 VanDerWaalsContact O-CG1 3.3Å; K141-I145 WeakPolarHBondContact O-CG1 3.45Å; K141-I145 PolarHBondContact O-N 2.87Å; K142-I145 PolarHBondContact O-N 3.42Å; H143-I145 VanDerWaalsContact C-N 3.32Å; H143-I145 PolarHBondContact O-N 3.37Å; I145-K149 HydrophobicContact CG2-CD 4.33Å; I145-K149 VanDerWaalsContact O-CG 3.29Å; I145-K149 WeakPolarHBondContact O-CG 3.36Å; I145-K149 PolarHBondContact O-N 3.01Å |
| 146 | Q | 90.4 | Very high | 80.1 | Confident | 103 Ų | 103 | 75.1 Ų | 75.1 | 48% | 0.481 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.2 | -51.2 | 176.3 | 178.7 | 177.7 | -20.8 | 0 | 0 | 111.2 | K142 H143 Y144 V148 K149 E150 | K142-Q146 PolarHBondContact O-N 3.42Å; H143-Q146 WeakPolarHBondContact O-CB 3.11Å; H143-Q146 PolarHBondContact O-N 3Å; H143-Q146 VanDerWaalsContact O-N 3.12Å; Y144-Q146 VanDerWaalsContact C-N 3.32Å; Y144-Q146 PolarHBondContact O-N 3.43Å; Q146-V148 VanDerWaalsContact C-N 3.33Å; Q146-V148 PolarHBondContact O-N 3.47Å; Q146-K149 WeakPolarHBondContact O-CB 3.35Å; Q146-K149 PolarHBondContact O-N 3.01Å; Q146-E150 VanDerWaalsContact CG-OE1 3.29Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.4Å; Q146-E150 PolarHBondContact NE2-OE1 3.44Å; Q146-E150 PolarHBondContact O-N 2.89Å |
| 147 | M | 89.8 | Confident | 77.9 | Confident | 33 Ų | 33 | 80.2 Ų | 80.2 | 16% | 0.163 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.5 | -41.5 | 179.5 | -69.9 | -53.3 | -45.4 | 0 | 0 | 112.5 | W126 H143 Y144 K149 E150 L151 | W126-M147 HydrophobicContact CB-CG 4.19Å; W126-M147 HydrophobicContact CD2-CB 3.51Å; W126-M147 HydrophobicContact CD2-CE 4.3Å; W126-M147 HydrophobicContact CD2-CG 3.64Å; W126-M147 HydrophobicContact CE3-CB 3.29Å; W126-M147 HydrophobicContact CE3-CG 3.65Å; W126-M147 HydrophobicContact CG-CB 4.27Å; W126-M147 HydrophobicContact CG-CE 4.22Å; W126-M147 HydrophobicContact CG-CG 3.88Å; W126-M147 HydrophobicContact CH2-CB 3.73Å; W126-M147 HydrophobicContact CZ2-CB 4.01Å; W126-M147 HydrophobicContact CZ3-CB 3.38Å; W126-M147 HydrophobicContact CZ3-CG 4.25Å; H143-M147 WeakPolarHBondContact O-CG 3.29Å; H143-M147 PolarHBondContact O-N 2.98Å; Y144-M147 PolarHBondContact O-N 3.37Å; M147-K149 VanDerWaalsContact C-N 3.29Å; M147-K149 PolarHBondContact O-N 3.45Å; M147-E150 PolarHBondContact O-N 2.85Å; M147-L151 WeakPolarHBondContact O-CG 3.43Å; M147-L151 PolarHBondContact O-N 2.9Å |
| 148 | V | 86.4 | Confident | 76.1 | Confident | 33 Ų | 33 | 78.2 Ų | 78.2 | 20% | 0.2 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.6 | -38.2 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 112.1 | W126 Y144 Q146 L223 | W126-V148 HydrophobicContact CH2-CG2 3.94Å; W126-V148 HydrophobicContact CZ3-CG2 4.15Å; Y144-V148 HydrophobicContact CD1-CG2 3.88Å; Y144-V148 HydrophobicContact CE1-CG2 3.5Å; Y144-V148 VanDerWaalsContact O-CG2 3.26Å; Y144-V148 WeakPolarHBondContact O-CG2 3.45Å; Y144-V148 PolarHBondContact O-N 3.22Å; Q146-V148 VanDerWaalsContact C-N 3.33Å; Q146-V148 PolarHBondContact O-N 3.47Å; V148-L223 HydrophobicContact CG2-CD1 4Å |
| 149 | K | 84 | Confident | 74 | Confident | 151 Ų | 151 | 82.1 Ų | 82.1 | 66% | 0.657 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -68.6 | -42.2 | 177.1 | -72.8 | 170.6 | 177.4 | -178.6 | 0 | 111.5 | I145 Q146 M147 L151 H152 | I145-K149 HydrophobicContact CG2-CD 4.33Å; I145-K149 VanDerWaalsContact O-CG 3.29Å; I145-K149 WeakPolarHBondContact O-CG 3.36Å; I145-K149 PolarHBondContact O-N 3.01Å; Q146-K149 WeakPolarHBondContact O-CB 3.35Å; Q146-K149 PolarHBondContact O-N 3.01Å; M147-K149 VanDerWaalsContact C-N 3.29Å; M147-K149 PolarHBondContact O-N 3.45Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.31Å; K149-H152 PolarHBondContact O-N 3.37Å |
| 150 | E | 83.6 | Confident | 71.3 | Confident | 102 Ų | 102 | 86.4 Ų | 86.4 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 179.7 | -72.6 | 174.5 | -168.8 | 0 | 0 | 112.2 | Q146 M147 H152 | Q146-E150 VanDerWaalsContact CG-OE1 3.29Å; Q146-E150 WeakPolarHBondContact CG-OE1 3.4Å; Q146-E150 PolarHBondContact NE2-OE1 3.44Å; Q146-E150 PolarHBondContact O-N 2.89Å; M147-E150 PolarHBondContact O-N 2.85Å; E150-H152 PolarHBondContact O-N 3.27Å; E150-H152 VanDerWaalsContact O-N 3.11Å; E150-H152 PolarHBondContact O-ND1 3.13Å |
| 151 | L | 75.3 | Confident | 69.4 | Low | 91 Ų | 91 | 95.2 Ų | 95.2 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | 0.3 | 178.6 | -71.1 | 178.6 | 0 | 0 | 0 | 114.8 | W126 M147 K149 V153 | W126-L151 HydrophobicContact CH2-CD1 4.04Å; W126-L151 HydrophobicContact CZ2-CD1 3.28Å; W126-L151 HydrophobicContact CZ2-CG 4.48Å; M147-L151 WeakPolarHBondContact O-CG 3.43Å; M147-L151 PolarHBondContact O-N 2.9Å; K149-L151 VanDerWaalsContact C-N 3.33Å; K149-L151 PolarHBondContact O-N 3.31Å; L151-V153 HydrophobicContact CB-CG2 3.69Å; L151-V153 PolarHBondContact O-N 2.9Å |
| 152 | H | 64.8 | Low | 67.5 | Low | 161 Ų | 161 | 101 Ų | 101 | 75% | 0.745 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 34 | -177.9 | -65.4 | 81.5 | 0 | 0 | 0 | 113 | K149 E150 T154 | K149-H152 PolarHBondContact O-N 3.37Å; E150-H152 PolarHBondContact O-N 3.27Å; E150-H152 VanDerWaalsContact O-N 3.11Å; E150-H152 PolarHBondContact O-ND1 3.13Å; H152-T154 PolarHBondContact O-N 2.85Å |
| 153 | V | 59.3 | Low | 65.1 | Low | 44 Ų | 44 | 97 Ų | 97 | 27% | 0.267 | 51% | 0.508 | S | S | . | . | trans | -56.1 | 104.6 | -173.9 | 175.3 | 0 | 0 | 0 | 0 | 107.9 | L151 K155 Y222 L223 | L151-V153 HydrophobicContact CB-CG2 3.69Å; L151-V153 PolarHBondContact O-N 2.9Å; V153-K155 PolarHBondContact O-N 2.83Å; V153-Y222 VanDerWaalsContact CG1-O 3.28Å; V153-Y222 WeakPolarHBondContact CG1-O 3.49Å; V153-L223 HydrophobicContact CB-CD2 4.43Å; V153-L223 HydrophobicContact CG1-CD2 4.12Å; V153-L223 HydrophobicContact CG2-CD2 3.51Å | ||
| 154 | T | 47.3 | Very low | 62.3 | Low | 123 Ų | 123 | 105.2 Ų | 105.2 | 76% | 0.755 | 54% | 0.544 | S | S | * | . | trans | -60.4 | 141 | -177.5 | 50.1 | 0 | 0 | 0 | 0 | 108.2 | H152 | H152-T154 PolarHBondContact O-N 2.85Š| ||
| 155 | K | 49.2 | Very low | 59.7 | Low | 135 Ų | 135 | 110.9 Ų | 110.9 | 59% | 0.587 | 58% | 0.579 | S | S | * | * | trans | -37.2 | 144.5 | 178.3 | -70.9 | 172 | 177.5 | 169.5 | 0 | 111.3 | V153 K157 | V153-K155 PolarHBondContact O-N 2.83Å; K155-K157 PolarHBondContact O-N 2.88Å | ||
| 156 | P | 44.4 | Very low | 57.1 | Low | 29 Ų | 29 | 114.7 Ų | 114.7 | 19% | 0.188 | 60% | 0.599 | C | S | . | * | trans | -49.1 | 121.9 | 168.5 | 20.4 | -31.5 | 0 | 0 | 0 | 107.4 | T158 F220 Y222 | P156-T158 PolarHBondContact O-N 3.13Å; P156-F220 HydrophobicContact CB-CB 3.93Å; P156-F220 HydrophobicContact CB-CD1 3.76Å; P156-F220 HydrophobicContact CB-CG 3.99Å; P156-F220 HydrophobicContact CG-CB 4.29Å; P156-Y222 HydrophobicContact CG-CE1 4.08Å | ||
| 157 | K | 38.7 | Very low | 54.3 | Low | 197 Ų | 197 | 113.4 Ų | 113.4 | 86% | 0.857 | 61% | 0.606 | S | S | * | * | trans | -64.8 | 92.4 | 175.2 | -140.3 | 173.9 | -173.1 | 174.9 | 0 | 104.6 | K155 P159 | K155-K157 PolarHBondContact O-N 2.88Å; K157-P159 WeakPolarHBondContact O-CD 3.36Å | ||
| 158 | T | 46.2 | Very low | 51.5 | Low | 100 Ų | 100 | 119 Ų | 119 | 61% | 0.613 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -54.9 | 127 | 162.8 | 44.8 | 0 | 0 | 0 | 0 | 105.2 | P156 | P156-T158 PolarHBondContact O-N 3.13Š|
| 159 | P | 45.6 | Very low | 49 | Very low | 92 Ų | 92 | 124 Ų | 124 | 60% | 0.597 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 131.9 | 166.4 | -23.4 | 31.9 | 0 | 0 | 0 | 107.6 | K157 K161 | K157-P159 WeakPolarHBondContact O-CD 3.36Å; P159-K161 PolarHBondContact O-N 3.02Å |
| 160 | P | 38.5 | Very low | 46.3 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -48.1 | 129.6 | 171.5 | -24.8 | 33.2 | 0 | 0 | 0 | 108.1 | D162 | P160-D162 PolarHBondContact O-N 3.42Š|
| 161 | K | 53.1 | Low | 43.6 | Very low | 214 Ų | 214 | 127.3 Ų | 127.3 | 93% | 0.93 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -72.8 | 38.8 | 172.2 | -66.7 | -172.1 | 175.3 | -170.4 | 0 | 111.3 | P159 | P159-K161 PolarHBondContact O-N 3.02Š|
| 162 | D | 53 | Low | 41.5 | Very low | 154 Ų | 154 | 129.3 Ų | 129.3 | 82% | 0.824 | 70% | 0.704 | S | S | * | * | trans | -113.8 | 115.4 | 170.4 | -93.2 | -14.9 | 0 | 0 | 0 | 107.2 | P160 | P160-D162 PolarHBondContact O-N 3.42Š| ||
| 163 | G | 42.3 | Very low | 39.9 | Very low | 63 Ų | 63 | 127 Ų | 127 | 65% | 0.649 | 70% | 0.702 | S | S | * | * | trans | 112.2 | 38 | 168.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 164 | F | 34 | Very low | 38.4 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 89% | 0.89 | 73% | 0.726 | S | S | * | * | trans | -117.1 | 75.2 | 142.2 | -94.9 | -88.3 | 0 | 0 | 0 | 107.7 | I166 | F164-I166 PolarHBondContact O-N 3.16Š| ||
| 165 | V | 37.8 | Very low | 37.3 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | -66.9 | 94.9 | 156.1 | 178 | 0 | 0 | 0 | 0 | 104.9 | A167 | V165-A167 PolarHBondContact O-N 3.15Å; V165-A167 VanDerWaalsContact O-N 3.13Å | ||
| 166 | I | 35.5 | Very low | 36.3 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -63.4 | 110.9 | 155.1 | -63.7 | 172.3 | 0 | 0 | 0 | 103.3 | F164 D168 | F164-I166 PolarHBondContact O-N 3.16Å; I166-D168 PolarHBondContact O-N 3.37Å | ||
| 167 | A | 31.4 | Very low | 35.7 | Very low | 76 Ų | 76 | 135 Ų | 135 | 63% | 0.628 | 77% | 0.767 | S | S | * | * | trans | -56.8 | 111.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 106.9 | V165 V169 | V165-A167 PolarHBondContact O-N 3.15Å; V165-A167 VanDerWaalsContact O-N 3.13Å; A167-V169 PolarHBondContact O-N 3.34Å | ||
| 168 | D | 30.7 | Very low | 35.2 | Very low | 150 Ų | 150 | 134.5 Ų | 134.5 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -55.7 | 110.3 | 168.1 | -83 | -37.7 | 0 | 0 | 0 | 107.1 | I166 Q170 | I166-D168 PolarHBondContact O-N 3.37Å; D168-Q170 PolarHBondContact O-N 3.3Å | ||
| 169 | V | 34.4 | Very low | 34.2 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | -64.5 | 105.8 | 165.1 | 174.7 | 0 | 0 | 0 | 0 | 105.4 | A167 L171 | A167-V169 PolarHBondContact O-N 3.34Å; V169-L171 PolarHBondContact O-N 3.14Å | ||
| 170 | Q | 27.1 | Very low | 33.4 | Very low | 174 Ų | 174 | 139.2 Ų | 139.2 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -55.4 | 109.1 | 172.1 | -79.8 | -171.5 | -22.3 | 0 | 0 | 109.2 | D168 V172 | D168-Q170 PolarHBondContact O-N 3.3Å; Q170-V172 PolarHBondContact O-N 2.99Å | ||
| 171 | L | 27.8 | Very low | 32.9 | Very low | 147 Ų | 147 | 142.3 Ų | 142.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -72.9 | 110.5 | 157.6 | -172.9 | 78.8 | 0 | 0 | 0 | 106.6 | V169 T173 | V169-L171 PolarHBondContact O-N 3.14Å; L171-T173 HydrophobicContact CD2-CG2 4.12Å; L171-T173 PolarHBondContact O-N 3.26Å | ||
| 172 | V | 30.3 | Very low | 31.6 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | trans | -63.2 | 102.7 | 170.6 | 175.7 | 0 | 0 | 0 | 0 | 108 | Q170 | Q170-V172 PolarHBondContact O-N 2.99Š| ||
| 173 | T | 30.4 | Very low | 31 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 69% | 0.687 | 77% | 0.765 | S | S | * | * | trans | -102.3 | 115.8 | 161.9 | 44.1 | 0 | 0 | 0 | 0 | 108.6 | L171 | L171-T173 HydrophobicContact CD2-CG2 4.12Å; L171-T173 PolarHBondContact O-N 3.26Å | ||
| 174 | S | 29.3 | Very low | 30.2 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | trans | -58.6 | 140.8 | 172.9 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 175 | N | 24.8 | Very low | 30 | Very low | 163 Ų | 163 | 135.8 Ų | 135.8 | 87% | 0.872 | 77% | 0.77 | S | S | * | * | trans | -59.1 | 146.3 | -179.4 | -59.1 | -33.9 | 0 | 0 | 0 | 114.7 | ||||
| 176 | S | 27.5 | Very low | 29.5 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | -162.4 | 137.4 | 138.3 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 177 | P | 32.3 | Very low | 29.2 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | trans | -106 | 143.4 | -179.5 | 37.3 | -27 | 0 | 0 | 0 | 112.8 | ||||
| 178 | E | 26.8 | Very low | 29.1 | Very low | 186 Ų | 186 | 144.5 Ų | 144.5 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | trans | -177.9 | 107.3 | 153.4 | -104.8 | 166.8 | 175.9 | 0 | 0 | 108.9 | ||||
| 179 | E | 25.7 | Very low | 28.9 | Very low | 147 Ų | 147 | 143.3 Ų | 143.3 | 69% | 0.687 | 79% | 0.79 | S | S | * | * | 79.2 | 116.3 | 98 | -95.5 | -155.4 | 155.1 | 0 | 0 | 116.9 | |||||
| 180 | K | 28.4 | Very low | 28.7 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 63% | 0.626 | 79% | 0.788 | S | S | * | * | trans | 88.5 | 121.7 | 137.7 | -76.2 | 168.9 | -179.2 | 151.5 | 0 | 121.8 | ||||
| 181 | Q | 28.8 | Very low | 28.8 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | 95.1 | 91.4 | 133.8 | -66.3 | 167.1 | 35.6 | 0 | 0 | 121.1 | ||||
| 182 | S | 24.5 | Very low | 29.1 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -14.1 | 170.5 | 130.4 | -67.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 183 | P | 41.8 | Very low | 29.3 | Very low | 106 Ų | 106 | 137.2 Ų | 137.2 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | cis | -151.8 | -174 | -25.5 | 41.5 | -20.2 | 0 | 0 | 0 | 117.8 | ||||
| 184 | L | 25.7 | Very low | 29.5 | Very low | 163 Ų | 163 | 142.9 Ų | 142.9 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 83.9 | 118.7 | 150.2 | -65.5 | 171.8 | 0 | 0 | 0 | 122.7 | ||||
| 185 | S | 28.6 | Very low | 29.5 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | -174.9 | 111 | 111.9 | 45.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 186 | A | 27.4 | Very low | 30.3 | Very low | 80 Ų | 80 | 147.5 Ų | 147.5 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | 60.2 | 108.4 | 108.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 187 | F | 30 | Very low | 30.4 | Very low | 214 Ų | 214 | 147.3 Ų | 147.3 | 94% | 0.939 | 78% | 0.777 | S | S | * | * | -135.9 | 131.4 | 77.4 | -87.7 | -88.9 | 0 | 0 | 0 | 114.1 | |||||
| 188 | R | 28.4 | Very low | 31 | Very low | 238 Ų | 238 | 149.7 Ų | 149.7 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -66.9 | 135.8 | 168.1 | -69 | 174.1 | 175.8 | 176.7 | -1.6 | 109.7 | ||||
| 189 | S | 27.5 | Very low | 31.4 | Very low | 125 Ų | 125 | 146 Ų | 146 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -118.6 | 112.9 | 142.6 | -77.6 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 190 | S | 30 | Very low | 31.8 | Very low | 115 Ų | 115 | 142.1 Ų | 142.1 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -64.3 | 125.2 | -179.4 | 41.8 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 191 | S | 29.6 | Very low | 32.2 | Very low | 97 Ų | 97 | 144.3 Ų | 144.3 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | trans | -54.4 | 142 | 159.7 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 192 | S | 33.1 | Very low | 32.9 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -105.4 | 114.4 | 136 | 71.5 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 193 | L | 34.8 | Very low | 33.6 | Very low | 132 Ų | 132 | 144 Ų | 144 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | -55.6 | 147.7 | 156.8 | -72.9 | 100.3 | 0 | 0 | 0 | 107.5 | ||||
| 194 | R | 34.6 | Very low | 33.8 | Very low | 232 Ų | 232 | 143.6 Ų | 143.6 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | cis | -179.9 | 142.6 | 44.2 | -138.4 | 166.5 | -172.4 | -172.1 | 2.3 | 104.5 | ||||
| 195 | K | 29.9 | Very low | 34.6 | Very low | 173 Ų | 173 | 139.6 Ų | 139.6 | 75% | 0.752 | 76% | 0.763 | S | S | * | * | 164.2 | 97.9 | 119.6 | -154.7 | 162.1 | -170.5 | 173.5 | 0 | 108.6 | N197 | K195-N197 VanDerWaalsContact C-N 3.3Å; K195-N197 PolarHBondContact O-N 3.48Å | |||
| 196 | K | 42.1 | Very low | 35.2 | Very low | 200 Ų | 200 | 139 Ų | 139 | 87% | 0.87 | 76% | 0.756 | S | S | * | * | trans | -64.9 | 94.1 | 160.8 | -174.6 | 180 | -177.3 | 180 | 0 | 106.7 | ||||
| 197 | N | 29 | Very low | 36.2 | Very low | 111 Ų | 111 | 144.1 Ų | 144.1 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | trans | -115.7 | 120.3 | 160.3 | -84.7 | 9 | 0 | 0 | 0 | 106.5 | K195 S199 | K195-N197 VanDerWaalsContact C-N 3.3Å; K195-N197 PolarHBondContact O-N 3.48Å; N197-S199 PolarHBondContact O-N 2.83Å; N197-S199 VanDerWaalsContact O-N 3.16Å | ||
| 198 | N | 44.4 | Very low | 37.3 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -60.5 | 111.7 | 163.9 | -73.9 | -21 | 0 | 0 | 0 | 108.1 | ||||
| 199 | S | 35.5 | Very low | 37.8 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | -169.2 | 116.2 | 156.9 | 47.3 | 0 | 0 | 0 | 0 | 111.2 | N197 | N197-S199 PolarHBondContact O-N 2.83Å; N197-S199 VanDerWaalsContact O-N 3.16Å | ||
| 200 | G | 34 | Very low | 38.6 | Very low | 67 Ų | 67 | 132.7 Ų | 132.7 | 69% | 0.691 | 72% | 0.718 | S | S | * | * | trans | 79.8 | 103.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K202 | G200-K202 VanDerWaalsContact C-N 3.32Å; G200-K202 PolarHBondContact O-N 2.92Å | ||
| 201 | Q | 37.5 | Very low | 39.7 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 88% | 0.883 | 71% | 0.706 | S | S | * | * | trans | -48.8 | 106.2 | 150.5 | -73.7 | -168.4 | 0.5 | 0 | 0 | 106.8 | A203 | Q201-A203 PolarHBondContact O-N 3.01Š| ||
| 202 | K | 42 | Very low | 40.7 | Very low | 197 Ų | 197 | 136.3 Ų | 136.3 | 86% | 0.857 | 71% | 0.712 | S | S | * | * | trans | -55.7 | 112.7 | 171.7 | -75.6 | -175.3 | -180 | -179 | 0 | 105.6 | G200 L204 | G200-K202 VanDerWaalsContact C-N 3.32Å; G200-K202 PolarHBondContact O-N 2.92Å; K202-L204 PolarHBondContact O-N 2.98Å | ||
| 203 | A | 40.4 | Very low | 41.3 | Very low | 85 Ų | 85 | 137.5 Ų | 137.5 | 70% | 0.702 | 70% | 0.704 | S | S | * | * | trans | -52.4 | 108.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | Q201 | Q201-A203 PolarHBondContact O-N 3.01Š| ||
| 204 | L | 44.7 | Very low | 42.1 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 50% | 0.503 | 70% | 0.699 | S | S | . | * | trans | -57.8 | 133.6 | 174.9 | -65.4 | 170.9 | 0 | 0 | 0 | 106.8 | K202 | K202-L204 PolarHBondContact O-N 2.98Š| ||
| 205 | P | 42.3 | Very low | 42.7 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 51% | 0.513 | 70% | 0.695 | S | S | . | * | trans | -56.3 | 152.7 | -174.7 | 21.7 | -32 | 0 | 0 | 0 | 109.9 | W207 | P205-W207 PolarHBondContact O-N 3.02Š| ||
| 206 | P | 42.5 | Very low | 43.7 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -54.2 | -18.4 | 176.7 | -23.7 | 32.4 | 0 | 0 | 0 | 113.6 | ||
| 207 | W | 46.8 | Very low | 44.1 | Very low | 189 Ų | 189 | 125 Ų | 125 | 72% | 0.716 | 68% | 0.681 | S | S | * | * | trans | -106.4 | 124.6 | -172.9 | -34 | 97.2 | 0 | 0 | 0 | 110.1 | P205 | P205-W207 PolarHBondContact O-N 3.02Š| ||
| 208 | R | 53.4 | Low | 45 | Very low | 156 Ų | 156 | 124.7 Ų | 124.7 | 59% | 0.589 | 68% | 0.678 | S | S | * | * | trans | -106.9 | 138.9 | 163.8 | -62.9 | -141.2 | -172.7 | -75.1 | 2.7 | 108.8 | ||||
| 209 | S | 40.6 | Very low | 45.5 | Very low | 111 Ų | 111 | 125.1 Ų | 125.1 | 78% | 0.776 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 154.5 | 164 | 24.8 | 0 | 0 | 0 | 0 | 110.3 | D211 | S209-D211 PolarHBondContact O-N 3Š|
| 210 | S | 43.3 | Very low | 46.1 | Very low | 69 Ų | 69 | 122.1 Ų | 122.1 | 48% | 0.483 | 64% | 0.641 | S | S | . | * | P | Polyproline II helix | trans | -52.2 | 124.2 | 176.1 | -61.9 | 0 | 0 | 0 | 0 | 110.3 | K212 | S210-K212 PolarHBondContact O-N 3.41Š|
| 211 | D | 52.4 | Low | 47.2 | Very low | 103 Ų | 103 | 119.2 Ų | 119.2 | 55% | 0.551 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 128.2 | 174.5 | -165.9 | -17.9 | 0 | 0 | 0 | 109 | S209 H213 | S209-D211 PolarHBondContact O-N 3Å; D211-H213 PolarHBondContact O-N 3.01Å; D211-H213 PolarHBondContact OD1-N 3.31Å |
| 212 | K | 51.9 | Low | 48.1 | Very low | 185 Ų | 185 | 113.9 Ų | 113.9 | 80% | 0.804 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -72.6 | -19.8 | 179.2 | -67.3 | -177.8 | 179 | -176.2 | 0 | 111.6 | S210 | S210-K212 PolarHBondContact O-N 3.41Š|
| 213 | H | 45.6 | Very low | 48.8 | Very low | 147 Ų | 147 | 106.3 Ų | 106.3 | 68% | 0.681 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -139 | 71.7 | -178.1 | -56.6 | 86.8 | 0 | 0 | 0 | 110.2 | D211 T215 | D211-H213 PolarHBondContact O-N 3.01Å; D211-H213 PolarHBondContact OD1-N 3.31Å; H213-T215 PolarHBondContact O-N 2.88Å |
| 214 | P | 51.6 | Low | 49.5 | Very low | 91 Ų | 91 | 104.6 Ų | 104.6 | 59% | 0.591 | 53% | 0.53 | S | S | * | . | trans | -66.6 | 107.1 | -178.1 | 27.3 | -32.3 | 0 | 0 | 0 | 110.1 | ||||
| 215 | T | 47 | Very low | 49.9 | Very low | 128 Ų | 128 | 103.8 Ų | 103.8 | 79% | 0.785 | 53% | 0.526 | S | S | * | . | trans | -90.4 | -11.8 | 174 | 47.7 | 0 | 0 | 0 | 0 | 113 | H213 | H213-T215 PolarHBondContact O-N 2.88Š| ||
| 216 | D | 51 | Low | 49.9 | Very low | 87 Ų | 87 | 103.7 Ų | 103.7 | 47% | 0.465 | 53% | 0.527 | S | S | . | . | trans | -87.4 | 110.3 | 177.3 | -107.5 | -54.7 | 0 | 0 | 0 | 111.6 | F220 | D216-F220 HydrophobicContact CB-CE2 4.32Å; D216-F220 VanDerWaalsContact CG-CE2 3.5Å; D216-F220 WeakPolarHBondContact OD2-CE2 3.47Å | ||
| 217 | I | 49.3 | Very low | 50.3 | Low | 169 Ų | 169 | 104.2 Ų | 104.2 | 87% | 0.867 | 52% | 0.524 | S | S | * | . | trans | -74.1 | -19.3 | 165.8 | -36.5 | 175.2 | 0 | 0 | 0 | 109.8 | R219 | I217-R219 PolarHBondContact O-N 3.47Š| ||
| 218 | I | 49.3 | Very low | 50.3 | Low | 103 Ų | 103 | 100.3 Ų | 100.3 | 53% | 0.528 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -78.2 | 103.5 | 175.6 | -55.4 | 176.1 | 0 | 0 | 0 | 107.7 | F220 | I218-F220 VanDerWaalsContact C-N 3.34Å; I218-F220 HydrophobicContact CG2-CD1 4.39Å; I218-F220 HydrophobicContact CG2-CE1 4.28Å; I218-F220 PolarHBondContact O-N 2.88Å |
| 219 | R | 53.8 | Low | 50 | Low | 169 Ų | 169 | 98.3 Ų | 98.3 | 64% | 0.638 | 52% | 0.523 | S | S | * | . | trans | -67.1 | 95.8 | 170.6 | -68.6 | -179 | -178.5 | 151.4 | 0.8 | 107.6 | I217 N221 | I217-R219 PolarHBondContact O-N 3.47Å; R219-N221 PolarHBondContact O-N 3.32Å | ||
| 220 | F | 49.6 | Very low | 50.4 | Low | 44 Ų | 44 | 98.2 Ų | 98.2 | 19% | 0.193 | 51% | 0.511 | C | S | . | . | trans | -63.6 | 85 | 171.4 | -67.2 | -70 | 0 | 0 | 0 | 110.4 | P156 D216 I218 | P156-F220 HydrophobicContact CB-CB 3.93Å; P156-F220 HydrophobicContact CB-CD1 3.76Å; P156-F220 HydrophobicContact CB-CG 3.99Å; P156-F220 HydrophobicContact CG-CB 4.29Å; D216-F220 HydrophobicContact CB-CE2 4.32Å; D216-F220 VanDerWaalsContact CG-CE2 3.5Å; D216-F220 WeakPolarHBondContact OD2-CE2 3.47Å; I218-F220 VanDerWaalsContact C-N 3.34Å; I218-F220 HydrophobicContact CG2-CD1 4.39Å; I218-F220 HydrophobicContact CG2-CE1 4.28Å; I218-F220 PolarHBondContact O-N 2.88Å | ||
| 221 | N | 56.2 | Low | 50.7 | Low | 6 Ų | 6 | 99.8 Ų | 99.8 | 3% | 0.032 | 52% | 0.517 | C | S | . | . | trans | -88.5 | 126.9 | 165.3 | -173.1 | 2.3 | 0 | 0 | 0 | 107 | D93 R219 L223 D224 N225 | D93-N221 HydrophobicContact CB-CB 4.18Å; D93-N221 VanDerWaalsContact CB-ND2 3.32Å; D93-N221 WeakPolarHBondContact CB-ND2 3.39Å; R219-N221 PolarHBondContact O-N 3.32Å; N221-L223 PolarHBondContact O-N 3.31Å; N221-D224 HydrophobicContact CB-CB 3.59Å; N221-D224 WeakPolarHBondContact ND2-CB 3.47Å; N221-D224 PolarHBondContact ND2-OD2 2.7Å; N221-D224 VanDerWaalsContact ND2-OD2 3.16Å; N221-D224 PolarHBondContact O-N 2.91Å; N221-N225 VanDerWaalsContact O-CG 3.31Å; N221-N225 PolarHBondContact O-ND2 2.99Å; N221-N225 VanDerWaalsContact O-ND2 3.08Å; N221-N225 PolarHBondContact O-OD1 3.01Å | ||
| 222 | Y | 55.6 | Low | 50.4 | Low | 77 Ų | 77 | 99.4 Ų | 99.4 | 30% | 0.302 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.1 | -171 | -68 | -96.5 | 0 | 0 | 0 | 113.3 | R95 V153 P156 | R95-Y222 PolarHBondContact NH1-OH 2.96Å; R95-Y222 VanDerWaalsContact NH1-OH 3.09Å; V153-Y222 VanDerWaalsContact CG1-O 3.28Å; V153-Y222 WeakPolarHBondContact CG1-O 3.49Å; P156-Y222 HydrophobicContact CG-CE1 4.08Å |
| 223 | L | 58.3 | Low | 49.8 | Very low | 39 Ų | 39 | 98.5 Ų | 98.5 | 20% | 0.204 | 51% | 0.51 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -121.5 | 5.8 | -177.7 | -57.6 | 179.3 | 0 | 0 | 0 | 113.8 | F124 W126 Y144 V148 V153 N221 | F124-L223 HydrophobicContact CD2-CD1 4.01Å; F124-L223 HydrophobicContact CE1-CB 3.72Å; F124-L223 HydrophobicContact CE1-CD1 4.06Å; F124-L223 HydrophobicContact CE1-CG 4.48Å; F124-L223 HydrophobicContact CE2-CB 4.08Å; F124-L223 HydrophobicContact CE2-CD1 3.49Å; F124-L223 VanDerWaalsContact CE2-CD1 3.49Å; F124-L223 HydrophobicContact CE2-CG 4.47Å; F124-L223 HydrophobicContact CZ-CB 3.27Å; F124-L223 HydrophobicContact CZ-CD1 3.5Å; F124-L223 HydrophobicContact CZ-CG 4.04Å; W126-L223 HydrophobicContact CH2-CD1 3.44Å; W126-L223 VanDerWaalsContact CH2-CD1 3.44Å; W126-L223 HydrophobicContact CZ2-CD1 4.13Å; W126-L223 HydrophobicContact CZ3-CD1 4.22Å; Y144-L223 HydrophobicContact CE2-CD1 4.41Å; Y144-L223 WeakPolarHBondContact OH-CD1 3.42Å; V148-L223 HydrophobicContact CG2-CD1 4Å; V153-L223 HydrophobicContact CB-CD2 4.43Å; V153-L223 HydrophobicContact CG1-CD2 4.12Å; V153-L223 HydrophobicContact CG2-CD2 3.51Å; N221-L223 PolarHBondContact O-N 3.31Å |
| 224 | D | 55.3 | Low | 49.8 | Very low | 49 Ų | 49 | 97.8 Ų | 97.8 | 26% | 0.262 | 51% | 0.507 | S | S | . | . | trans | -145.7 | 36.8 | -162.8 | -136.3 | 15.2 | 0 | 0 | 0 | 110.2 | R123 N221 C226 | R123-D224 IonicContact CZ-OD1 2.87Å; R123-D224 IonicContact CZ-OD2 3.01Å; R123-D224 IonicContact NH1-OD1 3.81Å; R123-D224 PolarHBondContact NH1-OD1 3.44Å; R123-D224 IonicContact NH1-OD2 2.72Å; R123-D224 PolarHBondContact NH1-OD2 2.94Å; R123-D224 IonicContact NH2-OD1 3.26Å; R123-D224 PolarHBondContact NH2-OD1 3.4Å; R123-D224 IonicContact NH2-OD2 2.68Å; R123-D224 PolarHBondContact NH2-OD2 3.26Å; N221-D224 HydrophobicContact CB-CB 3.59Å; N221-D224 WeakPolarHBondContact ND2-CB 3.47Å; N221-D224 PolarHBondContact ND2-OD2 2.7Å; N221-D224 VanDerWaalsContact ND2-OD2 3.16Å; N221-D224 PolarHBondContact O-N 2.91Å; D224-C226 PolarHBondContact O-N 3.45Å | ||
| 225 | N | 53 | Low | 49.6 | Very low | 78 Ų | 78 | 95.9 Ų | 95.9 | 42% | 0.417 | 50% | 0.504 | S | S | . | . | trans | -77 | 77.6 | 161.9 | -53.6 | -64.1 | 0 | 0 | 0 | 105.6 | N221 D227 | N221-N225 VanDerWaalsContact O-CG 3.31Å; N221-N225 PolarHBondContact O-ND2 2.99Å; N221-N225 VanDerWaalsContact O-ND2 3.08Å; N221-N225 PolarHBondContact O-OD1 3.01Å; N225-D227 PolarHBondContact O-N 3.29Å | ||
| 226 | C | 42.5 | Very low | 49.6 | Very low | 78 Ų | 78 | 98.1 Ų | 98.1 | 53% | 0.527 | 50% | 0.498 | S | S | . | . | trans | -62.5 | 111.2 | 162.2 | -69.5 | 0 | 0 | 0 | 0 | 105.8 | D224 | D224-C226 PolarHBondContact O-N 3.45Š| ||
| 227 | D | 49.1 | Very low | 49 | Very low | 111 Ų | 111 | 100.7 Ų | 100.7 | 59% | 0.594 | 51% | 0.505 | S | S | * | . | trans | -53.7 | 130.5 | 167.1 | -84.6 | -36.3 | 0 | 0 | 0 | 107.1 | N225 L229 E230 | N225-D227 PolarHBondContact O-N 3.29Å; D227-L229 CarbonylContact O-C 3.6Å; D227-L229 PolarHBondContact O-N 3.32Å; D227-E230 PolarHBondContact O-N 2.97Å | ||
| 228 | P | 47.3 | Very low | 48.8 | Very low | 107 Ų | 107 | 101.5 Ų | 101.5 | 70% | 0.695 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -17.2 | 178.5 | -28.4 | 34.5 | 0 | 0 | 0 | 114 | ||
| 229 | L | 47.7 | Very low | 48.7 | Very low | 113 Ų | 113 | 107 Ų | 107 | 59% | 0.592 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -43 | 172.2 | -110.6 | 81.3 | 0 | 0 | 0 | 113.4 | D227 T231 V232 W233 | D227-L229 CarbonylContact O-C 3.6Å; D227-L229 PolarHBondContact O-N 3.32Å; L229-T231 PolarHBondContact O-N 3Å; L229-T231 VanDerWaalsContact O-N 3.12Å; L229-V232 WeakPolarHBondContact O-CA 3.38Å; L229-V232 VanDerWaalsContact O-CB 3.31Å; L229-V232 WeakPolarHBondContact O-CB 3.46Å; L229-V232 PolarHBondContact O-N 3.39Å; L229-W233 PolarHBondContact O-N 2.88Å; L229-W233 VanDerWaalsContact O-N 3.17Å |
| 230 | E | 48.6 | Very low | 48.1 | Very low | 110 Ų | 110 | 105.5 Ų | 105.5 | 51% | 0.514 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.1 | -33.8 | -169.5 | -85.2 | -148.1 | 142.9 | 0 | 0 | 113.4 | D227 V232 W233 Q234 | D227-E230 PolarHBondContact O-N 2.97Å; E230-V232 PolarHBondContact O-N 3.02Å; E230-W233 PolarHBondContact O-N 2.73Å; E230-Q234 WeakPolarHBondContact O-CG 3.29Å; E230-Q234 PolarHBondContact O-N 3.49Å |
| 231 | T | 49.4 | Very low | 47.8 | Very low | 101 Ų | 101 | 110.5 Ų | 110.5 | 62% | 0.62 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -63.3 | -32.7 | 176 | -25.6 | 0 | 0 | 0 | 0 | 112 | L229 G235 | L229-T231 PolarHBondContact O-N 3Å; L229-T231 VanDerWaalsContact O-N 3.12Å; T231-G235 PolarHBondContact O-N 3.26Å |
| 232 | V | 47.3 | Very low | 46.8 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 58% | 0.576 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -75.3 | -38.6 | 177 | -177.3 | 0 | 0 | 0 | 0 | 111.1 | L229 E230 R236 | L229-V232 WeakPolarHBondContact O-CA 3.38Å; L229-V232 VanDerWaalsContact O-CB 3.31Å; L229-V232 WeakPolarHBondContact O-CB 3.46Å; L229-V232 PolarHBondContact O-N 3.39Å; E230-V232 PolarHBondContact O-N 3.02Å; V232-R236 PolarHBondContact O-N 3.25Å |
| 233 | W | 38.3 | Very low | 45.7 | Very low | 167 Ų | 167 | 120.3 Ų | 120.3 | 63% | 0.633 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.8 | -37.5 | 178.3 | -70.9 | 85.8 | 0 | 0 | 0 | 112.4 | L229 E230 R236 K237 | L229-W233 PolarHBondContact O-N 2.88Å; L229-W233 VanDerWaalsContact O-N 3.17Å; E230-W233 PolarHBondContact O-N 2.73Å; W233-R236 PolarHBondContact O-N 2.87Å; W233-K237 WeakPolarHBondContact O-CB 3.41Å; W233-K237 PolarHBondContact O-N 3.25Å |
| 234 | Q | 46 | Very low | 44.6 | Very low | 132 Ų | 132 | 123.9 Ų | 123.9 | 62% | 0.617 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -66.8 | -36.2 | 174.8 | -71 | -171.6 | 14 | 0 | 0 | 112.4 | E230 R236 K238 | E230-Q234 WeakPolarHBondContact O-CG 3.29Å; E230-Q234 PolarHBondContact O-N 3.49Å; Q234-R236 VanDerWaalsContact C-N 3.27Å; Q234-R236 PolarHBondContact O-N 3.45Å; Q234-K238 WeakPolarHBondContact O-CB 3.43Å; Q234-K238 PolarHBondContact O-N 3.12Å; Q234-K238 VanDerWaalsContact O-N 3.14Å |
| 235 | G | 46.6 | Very low | 43.3 | Very low | 51 Ų | 51 | 128.6 Ų | 128.6 | 53% | 0.526 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65.4 | -29.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T231 | T231-G235 PolarHBondContact O-N 3.26Å |
| 236 | R | 47.4 | Very low | 42.2 | Very low | 174 Ų | 174 | 134.7 Ų | 134.7 | 66% | 0.657 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -82.2 | -39.4 | 177.7 | -130.3 | 175 | -175.2 | 173.2 | 1 | 112.6 | V232 W233 Q234 R239 N240 | V232-R236 PolarHBondContact O-N 3.25Å; W233-R236 PolarHBondContact O-N 2.87Å; Q234-R236 VanDerWaalsContact C-N 3.27Å; Q234-R236 PolarHBondContact O-N 3.45Å; R236-R239 PolarHBondContact O-N 2.92Å; R236-N240 PolarHBondContact O-N 3.04Å |
| 237 | K | 39.3 | Very low | 41.7 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 62% | 0.617 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -67.9 | -40.7 | 179.2 | -159.1 | 175.8 | -177.9 | -177.9 | 0 | 111.6 | W233 R239 N240 | W233-K237 WeakPolarHBondContact O-CB 3.41Å; W233-K237 PolarHBondContact O-N 3.25Å; K237-R239 PolarHBondContact O-N 3.31Å; K237-N240 PolarHBondContact O-N 3Å; K237-N240 VanDerWaalsContact O-N 3.11Å |
| 238 | K | 45.5 | Very low | 40.8 | Very low | 185 Ų | 185 | 141.1 Ų | 141.1 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -66.5 | -18.3 | 175.4 | -154.2 | 175.5 | -171.9 | 177.4 | 0 | 113.8 | Q234 | Q234-K238 WeakPolarHBondContact O-CB 3.43Å; Q234-K238 PolarHBondContact O-N 3.12Å; Q234-K238 VanDerWaalsContact O-N 3.14Å |
| 239 | R | 45.4 | Very low | 39.9 | Very low | 218 Ų | 218 | 144.3 Ų | 144.3 | 82% | 0.823 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -85 | -19.3 | 175.8 | -148.5 | -179.9 | -157.6 | 176.8 | 6 | 113.1 | R236 K237 | R236-R239 PolarHBondContact O-N 2.92Å; K237-R239 PolarHBondContact O-N 3.31Å |
| 240 | N | 41.6 | Very low | 38.9 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 74% | 0.743 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -104.6 | -1.1 | -173.5 | -76.5 | 10 | 0 | 0 | 0 | 113.9 | R236 K237 | R236-N240 PolarHBondContact O-N 3.04Å; K237-N240 PolarHBondContact O-N 3Å; K237-N240 VanDerWaalsContact O-N 3.11Å |
| 241 | E | 43.2 | Very low | 38 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -112.3 | 25.5 | -172.3 | -121.8 | 168.5 | -158.5 | 0 | 0 | 113.9 | ||
| 242 | M | 35.1 | Very low | 37.2 | Very low | 166 Ų | 166 | 150.3 Ų | 150.3 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -121.8 | 110.6 | 170.6 | -155.4 | 69.3 | 174.2 | 0 | 0 | 111.1 | ||
| 243 | T | 32.4 | Very low | 36.6 | Very low | 124 Ų | 124 | 154.4 Ų | 154.4 | 76% | 0.761 | 75% | 0.749 | S | S | * | * | trans | 85 | 117.3 | 159.7 | -14 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 244 | P | 35.7 | Very low | 36.2 | Very low | 114 Ų | 114 | 154.7 Ų | 154.7 | 74% | 0.74 | 76% | 0.755 | S | S | * | * | trans | -90.9 | 138.7 | 155.6 | 32.2 | -22.7 | 0 | 0 | 0 | 112.4 | ||||
| 245 | D | 28.7 | Very low | 35.5 | Very low | 148 Ų | 148 | 154.8 Ų | 154.8 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | trans | 53.7 | 121.8 | 158.3 | -72.7 | -38 | 0 | 0 | 0 | 123 | ||||
| 246 | F | 30 | Very low | 34.8 | Very low | 205 Ų | 205 | 161.5 Ų | 161.5 | 90% | 0.899 | 77% | 0.774 | S | S | * | * | -166.8 | 145.6 | 98 | -106.3 | -81.1 | 0 | 0 | 0 | 112.3 | |||||
| 247 | S | 31.1 | Very low | 33.9 | Very low | 94 Ų | 94 | 160.8 Ų | 160.8 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -57.4 | 149.2 | -170.9 | 57.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 248 | R | 30 | Very low | 33.7 | Very low | 230 Ų | 230 | 163 Ų | 163 | 87% | 0.868 | 80% | 0.795 | S | S | * | * | 176.9 | 130.3 | 107.8 | -114.2 | 175.1 | 160.1 | 178.7 | -5.3 | 114.2 | |||||
| 249 | Q | 29.4 | Very low | 32.9 | Very low | 174 Ų | 174 | 160.7 Ų | 160.7 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -2.2 | 134.5 | 158.9 | -74 | 165.6 | -30.6 | 0 | 0 | 120.6 | ||||
| 250 | S | 26.9 | Very low | 32.4 | Very low | 121 Ų | 121 | 161.1 Ų | 161.1 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | -165.2 | 136.2 | 106.5 | 48.9 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 251 | H | 29.2 | Very low | 32 | Very low | 178 Ų | 178 | 159.9 Ų | 159.9 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -74.5 | 139.7 | 168.4 | -82.6 | -98.6 | 0 | 0 | 0 | 109.4 | ||||
| 252 | D | 32.1 | Very low | 31.7 | Very low | 151 Ų | 151 | 163.5 Ų | 163.5 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | -159.6 | 164.1 | 120.9 | -115 | -39.3 | 0 | 0 | 0 | 114.9 | |||||
| 253 | K | 34.5 | Very low | 31.7 | Very low | 182 Ų | 182 | 163.8 Ų | 163.8 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | -84.6 | 143.5 | -150.6 | -82.4 | 158.7 | 178.9 | 166.9 | 0 | 116.6 | ||||
| 254 | K | 31 | Very low | 31.9 | Very low | 173 Ų | 173 | 169 Ų | 169 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | 91.6 | 123.2 | 118.7 | -169.7 | 176 | -169.1 | -179.9 | 0 | 121.7 | |||||
| 255 | N | 29.9 | Very low | 31.9 | Very low | 133 Ų | 133 | 173.3 Ų | 173.3 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | trans | 68.4 | 145.2 | 149.7 | -68.3 | -4.8 | 0 | 0 | 0 | 117.4 | ||||
| 256 | K | 31.6 | Very low | 31.9 | Very low | 193 Ų | 193 | 171.4 Ų | 171.4 | 84% | 0.839 | 82% | 0.82 | S | S | * | * | cis | -163.3 | 147.4 | 24.6 | -154 | 176 | 179.1 | -177.9 | 0 | 109.3 | ||||
| 257 | L | 30.3 | Very low | 32.1 | Very low | 158 Ų | 158 | 170.3 Ų | 170.3 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | -52.2 | 132.8 | 166.6 | -174.4 | 78.2 | 0 | 0 | 0 | 112.4 | ||||
| 258 | Q | 33.3 | Very low | 32.4 | Very low | 189 Ų | 189 | 171.2 Ų | 171.2 | 88% | 0.883 | 82% | 0.823 | S | S | * | * | trans | -162.6 | 120.6 | 136.8 | -109.7 | 175.2 | 23 | 0 | 0 | 112.9 | ||||
| 259 | D | 29.3 | Very low | 32.5 | Very low | 137 Ų | 137 | 167.8 Ų | 167.8 | 73% | 0.733 | 82% | 0.819 | S | S | * | * | trans | -65.2 | 131.9 | 165.9 | -179.3 | 13 | 0 | 0 | 0 | 110.8 | ||||
| 260 | R | 34.5 | Very low | 32.6 | Very low | 227 Ų | 227 | 168.2 Ų | 168.2 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | trans | -169.2 | 107.9 | 142.5 | -110.2 | 172.8 | 163.3 | 178.8 | -3.5 | 113.2 | ||||
| 261 | T | 33.1 | Very low | 32.8 | Very low | 112 Ų | 112 | 167.1 Ų | 167.1 | 69% | 0.687 | 82% | 0.816 | S | S | * | * | trans | -22.2 | 131.6 | 146.1 | 45.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 262 | R | 36.7 | Very low | 32.9 | Very low | 224 Ų | 224 | 167.3 Ų | 167.3 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -173.1 | 114.4 | 135.2 | -99.2 | 155.8 | -163 | -128.1 | 2.6 | 112.6 | ||||
| 263 | L | 36.7 | Very low | 32.7 | Very low | 173 Ų | 173 | 165.6 Ų | 165.6 | 91% | 0.906 | 82% | 0.822 | S | S | * | * | trans | -48.8 | 126.6 | 158.9 | -74.1 | 145.5 | 0 | 0 | 0 | 111.6 | ||||
| 264 | R | 37 | Very low | 32.6 | Very low | 233 Ų | 233 | 162.1 Ų | 162.1 | 88% | 0.879 | 82% | 0.821 | S | S | * | * | trans | -151.9 | 120.6 | 145.5 | -70.4 | -160.5 | 174.1 | 167.8 | -2.8 | 112.2 | ||||
| 265 | K | 34.7 | Very low | 32.6 | Very low | 205 Ų | 205 | 159.3 Ų | 159.3 | 89% | 0.891 | 82% | 0.823 | S | S | * | * | trans | 25.2 | 106.6 | 148.7 | -74.5 | 175.3 | 172 | 176.5 | 0 | 117.4 | Q267 | K265-Q267 PolarHBondContact O-N 3.26Š| ||
| 266 | A | 29.8 | Very low | 32.7 | Very low | 108 Ų | 108 | 158.3 Ų | 158.3 | 89% | 0.893 | 83% | 0.826 | S | S | * | * | trans | -79.8 | 114.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 267 | Q | 33.2 | Very low | 32.8 | Very low | 181 Ų | 181 | 155.4 Ų | 155.4 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -70.5 | 134.5 | 164.9 | -79.6 | 170.8 | -43.7 | 0 | 0 | 109.5 | K265 M269 | K265-Q267 PolarHBondContact O-N 3.26Å; Q267-M269 PolarHBondContact O-N 3.48Å | ||
| 268 | S | 36.9 | Very low | 32.8 | Very low | 113 Ų | 113 | 155.9 Ų | 155.9 | 79% | 0.79 | 83% | 0.829 | S | S | * | * | trans | -59.8 | 120.4 | 166 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 269 | M | 32.4 | Very low | 32.8 | Very low | 158 Ų | 158 | 156.7 Ų | 156.7 | 78% | 0.778 | 83% | 0.83 | S | S | * | * | trans | -143.6 | 89.9 | 164.6 | -77.8 | -75.1 | -76.1 | 0 | 0 | 107.6 | Q267 S271 | Q267-M269 PolarHBondContact O-N 3.48Å; M269-S271 PolarHBondContact O-N 3.19Å | ||
| 270 | M | 30.8 | Very low | 33 | Very low | 183 Ų | 183 | 156.3 Ų | 156.3 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | trans | -80.3 | 104.7 | 164.1 | -73.8 | -72.3 | 176 | 0 | 0 | 107.6 | ||||
| 271 | S | 31.9 | Very low | 32.8 | Very low | 99 Ų | 99 | 150.8 Ų | 150.8 | 69% | 0.692 | 83% | 0.826 | S | S | * | * | trans | -99.1 | 112.9 | 165.3 | -52 | 0 | 0 | 0 | 0 | 107.2 | M269 S273 | M269-S271 PolarHBondContact O-N 3.19Å; S271-S273 PolarHBondContact O-N 3.17Å | ||
| 272 | L | 31.5 | Very low | 33.1 | Very low | 182 Ų | 182 | 150.5 Ų | 150.5 | 95% | 0.953 | 83% | 0.834 | S | S | * | * | trans | -72.8 | 106.6 | 171.4 | -69.6 | 166.7 | 0 | 0 | 0 | 108 | ||||
| 273 | S | 28.1 | Very low | 33.1 | Very low | 115 Ų | 115 | 148 Ų | 148 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -110.8 | 116 | 160.3 | 69.9 | 0 | 0 | 0 | 0 | 109.5 | S271 | S271-S273 PolarHBondContact O-N 3.17Š| ||
| 274 | S | 31.7 | Very low | 33.1 | Very low | 109 Ų | 109 | 147 Ų | 147 | 76% | 0.762 | 83% | 0.827 | S | S | * | * | trans | -66.2 | 158.6 | 170 | 49.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 275 | S | 32 | Very low | 32.8 | Very low | 114 Ų | 114 | 140.6 Ų | 140.6 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | 89.2 | 94.6 | 168.3 | 76.9 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 276 | S | 32.2 | Very low | 33 | Very low | 112 Ų | 112 | 142.1 Ų | 142.1 | 78% | 0.783 | 82% | 0.824 | S | S | * | * | trans | -169.3 | 133.9 | 139.1 | -74.6 | 0 | 0 | 0 | 0 | 109.2 | L278 | S276-L278 PolarHBondContact O-N 3.02Š| ||
| 277 | P | 33.1 | Very low | 33.3 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -75.1 | 126.2 | -174 | 29.2 | -32 | 0 | 0 | 0 | 111.4 | K279 | P277-K279 PolarHBondContact O-N 3.15Š| ||
| 278 | L | 29.9 | Very low | 33.5 | Very low | 169 Ų | 169 | 138.9 Ų | 138.9 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | trans | -69.4 | 119.6 | 173.2 | -78.5 | 161 | 0 | 0 | 0 | 109.9 | S276 V280 | S276-L278 PolarHBondContact O-N 3.02Å; L278-V280 PolarHBondContact O-N 3.23Å | ||
| 279 | K | 33.5 | Very low | 33.5 | Very low | 206 Ų | 206 | 139.6 Ų | 139.6 | 90% | 0.896 | 81% | 0.811 | S | S | * | * | trans | -72.4 | 109.1 | 171.1 | -141.1 | 163.5 | -173.5 | 173.8 | 0 | 108.1 | P277 | P277-K279 PolarHBondContact O-N 3.15Š| ||
| 280 | V | 32.9 | Very low | 33.5 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | trans | -66.7 | 127.3 | 176.2 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | L278 A282 | L278-V280 PolarHBondContact O-N 3.23Å; V280-A282 PolarHBondContact O-N 3.27Å | ||
| 281 | P | 30.9 | Very low | 33.7 | Very low | 111 Ų | 111 | 137.4 Ų | 137.4 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | trans | -70.3 | 124.7 | 168 | -13.1 | 28.2 | 0 | 0 | 0 | 109.5 | H283 | P281-H283 PolarHBondContact O-N 3.13Š| ||
| 282 | A | 39.3 | Very low | 33.7 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -61.6 | 106.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V280 | V280-A282 PolarHBondContact O-N 3.27Š| ||
| 283 | H | 36.1 | Very low | 34.1 | Very low | 171 Ų | 171 | 132.6 Ų | 132.6 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | trans | -112.5 | 109.7 | 164.7 | -120.9 | -87.4 | 0 | 0 | 0 | 107.4 | P281 A285 | P281-H283 PolarHBondContact O-N 3.13Å; H283-A285 PolarHBondContact O-N 2.88Å | ||
| 284 | L | 37.3 | Very low | 34.3 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | 26.2 | 84.8 | 159.7 | -64.5 | 164.5 | 0 | 0 | 0 | 115.2 | W286 | L284-W286 PolarHBondContact O-N 2.94Š| ||
| 285 | A | 30 | Very low | 34.5 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 131.6 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | H283 | H283-A285 PolarHBondContact O-N 2.88Š|
| 286 | W | 39.2 | Very low | 34.7 | Very low | 237 Ų | 237 | 133.8 Ų | 133.8 | 90% | 0.898 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 136.4 | 167.8 | -69.7 | 73.2 | 0 | 0 | 0 | 108.7 | L284 | L284-W286 PolarHBondContact O-N 2.94Š|
| 287 | P | 35.5 | Very low | 35.3 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 141.7 | 169 | 27 | -30.2 | 0 | 0 | 0 | 108.7 | ||
| 288 | P | 38.9 | Very low | 36 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 147.9 | 171.5 | 28.3 | -31.5 | 0 | 0 | 0 | 108.7 | E290 | P288-E290 PolarHBondContact O-N 3.22Š|
| 289 | P | 36.8 | Very low | 37 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 83% | 0.831 | 76% | 0.763 | S | S | * | * | trans | -62.9 | 115.9 | 175.7 | 25.2 | -30.3 | 0 | 0 | 0 | 108.8 | S291 | P289-S291 PolarHBondContact O-N 3.08Š| ||
| 290 | E | 30.9 | Very low | 37.7 | Very low | 174 Ų | 174 | 121.2 Ų | 121.2 | 81% | 0.813 | 75% | 0.747 | S | S | * | * | trans | -58.6 | 121.5 | 165.4 | -76.1 | -178.5 | 152.7 | 0 | 0 | 108.3 | P288 V292 | P288-E290 PolarHBondContact O-N 3.22Å; E290-V292 PolarHBondContact O-N 3.09Å | ||
| 291 | S | 36 | Very low | 38.4 | Very low | 122 Ų | 122 | 118.2 Ų | 118.2 | 85% | 0.853 | 74% | 0.735 | S | S | * | * | trans | -69.5 | 83.5 | 168.9 | 56.6 | 0 | 0 | 0 | 0 | 108.9 | P289 G293 | P289-S291 PolarHBondContact O-N 3.08Å; S291-G293 VanDerWaalsContact C-N 3.35Å; S291-G293 PolarHBondContact O-N 2.98Å; S291-G293 VanDerWaalsContact O-N 3.11Å | ||
| 292 | V | 31.8 | Very low | 39.5 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 66% | 0.661 | 73% | 0.734 | S | S | * | * | trans | -75.2 | 95.1 | 164.1 | -179.7 | 0 | 0 | 0 | 0 | 106.8 | E290 L294 | E290-V292 PolarHBondContact O-N 3.09Å; V292-L294 HydrophobicContact CG1-CD1 4.36Å; V292-L294 HydrophobicContact CG1-CG 4.33Å; V292-L294 PolarHBondContact O-N 3.2Å | ||
| 293 | G | 39.1 | Very low | 40.3 | Very low | 71 Ų | 71 | 120 Ų | 120 | 73% | 0.732 | 72% | 0.719 | S | S | * | * | trans | -63.3 | 127.5 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | S291 | S291-G293 VanDerWaalsContact C-N 3.35Å; S291-G293 PolarHBondContact O-N 2.98Å; S291-G293 VanDerWaalsContact O-N 3.11Å | ||
| 294 | L | 32.8 | Very low | 40.9 | Very low | 153 Ų | 153 | 117.5 Ų | 117.5 | 80% | 0.801 | 71% | 0.711 | S | S | * | * | trans | -134.9 | 149.4 | 164.3 | -85.6 | 171 | 0 | 0 | 0 | 109.4 | V292 | V292-L294 HydrophobicContact CG1-CD1 4.36Å; V292-L294 HydrophobicContact CG1-CG 4.33Å; V292-L294 PolarHBondContact O-N 3.2Å | ||
| 295 | P | 35.7 | Very low | 41.7 | Very low | 105 Ų | 105 | 116.7 Ų | 116.7 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | trans | -83.5 | 142.1 | -144.3 | 31.5 | -34.4 | 0 | 0 | 0 | 112.9 | T297 | P295-T297 PolarHBondContact O-N 3.38Å; P295-T297 VanDerWaalsContact O-N 3.14Å | ||
| 296 | A | 36.8 | Very low | 42.9 | Very low | 105 Ų | 105 | 118.7 Ų | 118.7 | 87% | 0.868 | 70% | 0.697 | S | S | * | * | trans | -61.5 | 111.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 297 | T | 44.9 | Very low | 43.3 | Very low | 92 Ų | 92 | 113.4 Ų | 113.4 | 56% | 0.564 | 68% | 0.682 | S | S | * | * | trans | -81 | 120.7 | 164.4 | 48 | 0 | 0 | 0 | 0 | 108.1 | P295 T299 T300 | P295-T297 PolarHBondContact O-N 3.38Å; P295-T297 VanDerWaalsContact O-N 3.14Å; T297-T299 PolarHBondContact O-N 3.04Å; T297-T300 PolarHBondContact O-N 3.19Å; T297-T300 PolarHBondContact O-OG1 2.87Å | ||
| 298 | A | 47.7 | Very low | 43.8 | Very low | 81 Ų | 81 | 114.4 Ų | 114.4 | 67% | 0.669 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | -15 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T300 | A298-T300 PolarHBondContact O-N 3.27Š|
| 299 | T | 49.9 | Very low | 44.5 | Very low | 91 Ų | 91 | 117.3 Ų | 117.3 | 56% | 0.558 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.7 | -25.1 | -177.8 | -31.5 | 0 | 0 | 0 | 0 | 113.6 | T297 I303 | T297-T299 PolarHBondContact O-N 3.04Å; T299-I303 WeakPolarHBondContact O-CD1 3.38Å; T299-I303 WeakPolarHBondContact O-CG1 3.36Å |
| 300 | T | 48.4 | Very low | 45.1 | Very low | 90 Ų | 90 | 120.6 Ų | 120.6 | 55% | 0.552 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -80.2 | -26.6 | 180 | -14.8 | 0 | 0 | 0 | 0 | 112.8 | T297 A298 L304 | T297-T300 PolarHBondContact O-N 3.19Å; T297-T300 PolarHBondContact O-OG1 2.87Å; A298-T300 PolarHBondContact O-N 3.27Å; T300-L304 PolarHBondContact O-N 3.36Å |
| 301 | A | 49 | Very low | 46.1 | Very low | 65 Ų | 65 | 119.4 Ų | 119.4 | 54% | 0.537 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -73.7 | -34.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L304 M305 | A301-L304 PolarHBondContact O-N 3.14Å; A301-M305 PolarHBondContact O-N 3.24Å; A301-M305 VanDerWaalsContact O-N 3.16Å |
| 302 | E | 53.6 | Low | 46.4 | Very low | 147 Ų | 147 | 119.7 Ų | 119.7 | 69% | 0.687 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -68.1 | -38.1 | 176.1 | -73.2 | -170.9 | 157 | 0 | 0 | 112.4 | L304 M305 Q306 | E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 3.31Å; E302-M305 PolarHBondContact O-N 3.35Å; E302-Q306 WeakPolarHBondContact O-CB 3.13Å; E302-Q306 PolarHBondContact O-N 3.27Å |
| 303 | I | 54.9 | Low | 46.9 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 55% | 0.549 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -66.2 | -35.7 | 178.7 | -64.9 | 169.2 | 0 | 0 | 0 | 111.1 | T299 H307 | T299-I303 WeakPolarHBondContact O-CD1 3.38Å; T299-I303 WeakPolarHBondContact O-CG1 3.36Å; I303-H307 PolarHBondContact O-N 3.42Å |
| 304 | L | 50.5 | Low | 47 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 62% | 0.623 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -70.9 | -38.3 | 176 | -103.9 | 164.1 | 0 | 0 | 0 | 112.6 | T300 A301 E302 H307 L308 | T300-L304 PolarHBondContact O-N 3.36Å; A301-L304 PolarHBondContact O-N 3.14Å; E302-L304 VanDerWaalsContact C-N 3.31Å; E302-L304 PolarHBondContact O-N 3.31Å; L304-H307 PolarHBondContact O-N 3.03Å; L304-L308 PolarHBondContact O-N 2.87Å |
| 305 | M | 53.6 | Low | 47.5 | Very low | 137 Ų | 137 | 122.7 Ų | 122.7 | 68% | 0.675 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -66.4 | -39.7 | 175.2 | -81.7 | -74.2 | 172.1 | 0 | 0 | 112.1 | A301 E302 H307 L308 Q309 | A301-M305 PolarHBondContact O-N 3.24Å; A301-M305 VanDerWaalsContact O-N 3.16Å; E302-M305 PolarHBondContact O-N 3.35Å; M305-H307 VanDerWaalsContact C-N 3.28Å; M305-H307 PolarHBondContact O-N 2.9Å; M305-L308 PolarHBondContact O-N 2.79Å; M305-Q309 PolarHBondContact O-N 2.72Å |
| 306 | Q | 54.2 | Low | 47.9 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 65% | 0.654 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -69.4 | -26.6 | 179 | -142.2 | 174.1 | 43.4 | 0 | 0 | 112.7 | E302 | E302-Q306 WeakPolarHBondContact O-CB 3.13Å; E302-Q306 PolarHBondContact O-N 3.27Å |
| 307 | H | 47.7 | Very low | 48.5 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 58% | 0.583 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -80.7 | -26.9 | 178.2 | -151.1 | -67.4 | 0 | 0 | 0 | 113.3 | I303 L304 M305 | I303-H307 PolarHBondContact O-N 3.42Å; L304-H307 PolarHBondContact O-N 3.03Å; M305-H307 VanDerWaalsContact C-N 3.28Å; M305-H307 PolarHBondContact O-N 2.9Å |
| 308 | L | 47.5 | Very low | 48.7 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -76.4 | -22.4 | 175 | -86.1 | 159.8 | 0 | 0 | 0 | 113.1 | L304 M305 R310 | L304-L308 PolarHBondContact O-N 2.87Å; M305-L308 PolarHBondContact O-N 2.79Å; L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 3.48Å |
| 309 | Q | 51.9 | Low | 48.7 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -7.7 | 179.2 | -130.3 | 165.3 | -11.5 | 0 | 0 | 113.9 | M305 | M305-Q309 PolarHBondContact O-N 2.72Š|
| 310 | R | 49.7 | Very low | 48.7 | Very low | 197 Ų | 197 | 134.2 Ų | 134.2 | 74% | 0.743 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 4.1 | -172.1 | -150.4 | 179.2 | -101.1 | 169.1 | -4.9 | 114.9 | L308 | L308-R310 VanDerWaalsContact C-N 3.31Å; L308-R310 PolarHBondContact O-N 3.48Å |
| 311 | H | 52.1 | Low | 48.7 | Very low | 149 Ų | 149 | 137 Ų | 137 | 69% | 0.69 | 75% | 0.751 | S | S | * | * | trans | -133.5 | 88.7 | 175.8 | -71 | -69.6 | 0 | 0 | 0 | 112.3 | ||||
| 312 | P | 42.3 | Very low | 48.7 | Very low | 128 Ų | 128 | 141.8 Ų | 141.8 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | trans | -80.3 | 126.1 | 158.8 | 32.2 | -26.3 | 0 | 0 | 0 | 108.3 | ||||
| 313 | G | 43.2 | Very low | 48.3 | Very low | 69 Ų | 69 | 141.4 Ų | 141.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | trans | -149.8 | 162.1 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 314 | P | 41.4 | Very low | 47.8 | Very low | 130 Ų | 130 | 144.1 Ų | 144.1 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | cis | -109.1 | 164.6 | -25.5 | 32.4 | -16.7 | 0 | 0 | 0 | 110.9 | ||||
| 315 | Q | 42.3 | Very low | 47.6 | Very low | 197 Ų | 197 | 146.2 Ų | 146.2 | 92% | 0.921 | 80% | 0.802 | S | S | * | * | trans | -101.9 | 128.1 | 162.2 | -81.8 | -171.8 | -3.3 | 0 | 0 | 109.5 | ||||
| 316 | A | 45 | Very low | 47 | Very low | 180 Ų | 180 | 147 Ų | 147 | 100% | 1.488 | 81% | 0.813 | S | S | * | * | trans | 51 | 0 | 164.4 | 0 | 0 | 0 | 0 | 0 | 118.3 |
Retrieved 316 of 316 residues in 48.3 ms
(Link to these results)