| 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 | 27.2 | Very low | 35.5 | Very low | 229 Ų | 229 | 97.5 Ų | 97.5 | 100% | 1.128 | 50% | 0.497 | S | S | * | . | 0 | 40.1 | 0 | -139.3 | 166.6 | -178.5 | 0 | 0 | 111 | |||||
| 2 | F | 28.8 | Very low | 35.5 | Very low | 170 Ų | 170 | 99.5 Ų | 99.5 | 75% | 0.746 | 51% | 0.509 | S | S | * | . | trans | -136.8 | 24.6 | -173.1 | -72.8 | -73.4 | 0 | 0 | 0 | 112.3 | F6 | F2-F6 HydrophobicContact CB-CE2 4.37Å; F2-F6 HydrophobicContact CD1-CE2 4.32Å; F2-F6 WeakPolarHBondContact O-CD2 3.28Å | ||
| 3 | S | 36.5 | Very low | 35.7 | Very low | 66 Ų | 66 | 102.5 Ų | 102.5 | 46% | 0.462 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -104.2 | -9.9 | -171.2 | -171.1 | 0 | 0 | 0 | 0 | 114.1 | ||
| 4 | Q | 32.4 | Very low | 35.3 | Very low | 111 Ų | 111 | 104.1 Ų | 104.1 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -99.1 | -40.7 | -175.1 | -91 | 175.5 | -62.7 | 0 | 0 | 112.8 | F7 | Q4-F7 PolarHBondContact O-N 3.12Š|
| 5 | D | 33.5 | Very low | 35.2 | Very low | 125 Ų | 125 | 107.5 Ų | 107.5 | 67% | 0.668 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -26.8 | -170.5 | -55.8 | -42.2 | 0 | 0 | 0 | 113.8 | ||
| 6 | F | 40.3 | Very low | 34.8 | Very low | 76 Ų | 76 | 104.1 Ų | 104.1 | 33% | 0.333 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -19.1 | 176.8 | -62.9 | -75.6 | 0 | 0 | 0 | 113.2 | F2 A9 P333 V334 | F2-F6 HydrophobicContact CB-CE2 4.37Å; F2-F6 HydrophobicContact CD1-CE2 4.32Å; F2-F6 WeakPolarHBondContact O-CD2 3.28Å; F6-A9 PolarHBondContact O-N 3.09Å; F6-P333 HydrophobicContact CD1-CB 4.34Å; F6-P333 HydrophobicContact CD1-CG 4.22Å; F6-P333 HydrophobicContact CE1-CB 4.11Å; F6-P333 HydrophobicContact CE1-CG 3.61Å; F6-P333 HydrophobicContact CZ-CG 4.42Å; F6-V334 HydrophobicContact CD1-CG1 4.5Å |
| 7 | F | 37.6 | Very low | 34.7 | Very low | 26 Ų | 26 | 105.8 Ų | 105.8 | 11% | 0.114 | 56% | 0.558 | C | S | . | * | H | α-helix | trans | -75.6 | -29.4 | -177.1 | -137.2 | -78.9 | 0 | 0 | 0 | 112.6 | Q4 A9 C431 Y435 | Q4-F7 PolarHBondContact O-N 3.12Å; F7-A9 VanDerWaalsContact C-N 3.29Å; F7-A9 PolarHBondContact O-N 3.29Å; F7-C431 HydrophobicContact CZ-CB 4.16Å; F7-C431 VanDerWaalsContact CZ-O 3.27Å; F7-C431 WeakPolarHBondContact CZ-O 3.18Å; F7-Y435 HydrophobicContact CB-CD2 4.21Å; F7-Y435 HydrophobicContact CB-CE2 4.25Å; F7-Y435 HydrophobicContact CD1-CD1 4.25Å; F7-Y435 AromaticContact CD1-CD2 3.32Å; F7-Y435 HydrophobicContact CD1-CD2 3.32Å; F7-Y435 AromaticContact CD1-CE2 3.94Å; F7-Y435 HydrophobicContact CD1-CE2 3.94Å; F7-Y435 AromaticContact CD1-CG 3.51Å; F7-Y435 HydrophobicContact CD1-CG 3.51Å; F7-Y435 HydrophobicContact CD2-CD2 4.22Å; F7-Y435 HydrophobicContact CE1-CD1 4.32Å; F7-Y435 AromaticContact CE1-CD2 3.79Å; F7-Y435 HydrophobicContact CE1-CD2 3.79Å; F7-Y435 AromaticContact CE1-CG 3.54Å; F7-Y435 HydrophobicContact CE1-CG 3.54Å; F7-Y435 AromaticContact CG-CD2 3.6Å; F7-Y435 HydrophobicContact CG-CD2 3.6Å; F7-Y435 HydrophobicContact CG-CE2 4.13Å; F7-Y435 HydrophobicContact CG-CG 4.23Å; F7-Y435 HydrophobicContact CZ-CD2 4.39Å; F7-Y435 HydrophobicContact CZ-CG 4.23Å |
| 8 | L | 36.1 | Very low | 34.7 | Very low | 102 Ų | 102 | 107.3 Ų | 107.3 | 53% | 0.534 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.6 | -26.9 | 173.5 | -96.9 | 130.2 | 0 | 0 | 0 | 113 | I11 L12 | L8-I11 PolarHBondContact O-N 3.22Å; L8-L12 HydrophobicContact CD2-CD1 4.01Å |
| 9 | A | 36.6 | Very low | 34.7 | Very low | 34 Ų | 34 | 104 Ų | 104 | 28% | 0.281 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -73.5 | -26.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | F6 F7 I11 V334 | F6-A9 PolarHBondContact O-N 3.09Å; F7-A9 VanDerWaalsContact C-N 3.29Å; F7-A9 PolarHBondContact O-N 3.29Å; A9-I11 VanDerWaalsContact C-N 3.28Å; A9-V334 HydrophobicContact CB-CG1 4.25Å |
| 10 | I | 43 | Very low | 34.7 | Very low | 32 Ų | 32 | 107 Ų | 107 | 16% | 0.164 | 56% | 0.561 | C | S | . | * | H | α-helix | trans | -74.8 | -20.9 | 177.1 | -61.8 | 176.4 | 0 | 0 | 0 | 111.3 | L389 | I10-L389 HydrophobicContact CG2-CD2 4.09Å |
| 11 | I | 39 | Very low | 34.6 | Very low | 101 Ų | 101 | 112 Ų | 112 | 52% | 0.518 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -94.5 | -16.8 | -176.1 | -61.9 | -178.5 | 0 | 0 | 0 | 112.6 | L8 A9 | L8-I11 PolarHBondContact O-N 3.22Å; A9-I11 VanDerWaalsContact C-N 3.28Å |
| 12 | L | 35.7 | Very low | 34.8 | Very low | 122 Ų | 122 | 106.8 Ų | 106.8 | 64% | 0.639 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -116 | 11.2 | -163.5 | -73.2 | 177.4 | 0 | 0 | 0 | 118 | L8 | L8-L12 HydrophobicContact CD2-CD1 4.01Š|
| 13 | Q | 36.9 | Very low | 35.1 | Very low | 138 Ų | 138 | 104.1 Ų | 104.1 | 65% | 0.645 | 55% | 0.549 | S | S | * | . | trans | -132.2 | 67.3 | 175.2 | -90.2 | 178 | -30.6 | 0 | 0 | 112.7 | N15 | Q13-N15 PolarHBondContact O-N 2.96Š| ||
| 14 | D | 30.1 | Very low | 34.9 | Very low | 125 Ų | 125 | 107.1 Ų | 107.1 | 67% | 0.668 | 56% | 0.56 | S | S | * | * | trans | -79.5 | 95.9 | 152.2 | -172.5 | 21.2 | 0 | 0 | 0 | 107.5 | S16 S19 | D14-S16 PolarHBondContact O-N 3.02Å; D14-S16 VanDerWaalsContact O-N 3.1Å; D14-S19 PolarHBondContact OD2-OG 3.32Å | ||
| 15 | N | 34.5 | Very low | 35.1 | Very low | 156 Ų | 156 | 105.4 Ų | 105.4 | 83% | 0.834 | 57% | 0.565 | S | S | * | * | trans | -89.5 | 58.5 | -173.6 | -144.7 | 32.5 | 0 | 0 | 0 | 110.9 | Q13 | Q13-N15 PolarHBondContact O-N 2.96Š| ||
| 16 | S | 28.4 | Very low | 35.1 | Very low | 53 Ų | 53 | 109 Ų | 109 | 37% | 0.371 | 58% | 0.575 | S | S | . | * | trans | -100.5 | 132 | 163.3 | 148.8 | 0 | 0 | 0 | 0 | 108.1 | D14 D18 S19 | D14-S16 PolarHBondContact O-N 3.02Å; D14-S16 VanDerWaalsContact O-N 3.1Å; S16-D18 PolarHBondContact O-N 3.44Å; S16-D18 PolarHBondContact OG-N 3.02Å; S16-S19 PolarHBondContact O-N 2.75Å | ||
| 17 | P | 32.9 | Very low | 34.9 | Very low | 132 Ų | 132 | 113.7 Ų | 113.7 | 86% | 0.857 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | 4.3 | -178.1 | 28.6 | -33.2 | 0 | 0 | 0 | 114.6 | ||
| 18 | D | 35.7 | Very low | 35 | Very low | 133 Ų | 133 | 118.6 Ų | 118.6 | 71% | 0.711 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | 17.6 | 177.7 | -71.4 | -36.6 | 0 | 0 | 0 | 114 | S16 F20 | S16-D18 PolarHBondContact O-N 3.44Å; S16-D18 PolarHBondContact OG-N 3.02Å; D18-F20 WeakPolarHBondContact O-CD2 3.21Å; D18-F20 PolarHBondContact O-N 3.15Å |
| 19 | S | 33.5 | Very low | 35.4 | Very low | 45 Ų | 45 | 117 Ų | 117 | 32% | 0.315 | 62% | 0.622 | S | S | . | * | trans | -91.9 | 88.8 | -175.9 | -65.7 | 0 | 0 | 0 | 0 | 113.7 | D14 S16 W21 | D14-S19 PolarHBondContact OD2-OG 3.32Å; S16-S19 PolarHBondContact O-N 2.75Å; S19-W21 VanDerWaalsContact C-N 3.26Å; S19-W21 PolarHBondContact O-N 2.69Å | ||
| 20 | F | 35.7 | Very low | 36 | Very low | 164 Ų | 164 | 120.5 Ų | 120.5 | 72% | 0.719 | 64% | 0.644 | S | S | * | * | 40.6 | 10.7 | 120.3 | -85.4 | -85.9 | 0 | 0 | 0 | 123.7 | D18 | D18-F20 WeakPolarHBondContact O-CD2 3.21Å; D18-F20 PolarHBondContact O-N 3.15Å | |||
| 21 | W | 31.7 | Very low | 36.7 | Very low | 213 Ų | 213 | 125.2 Ų | 125.2 | 81% | 0.807 | 67% | 0.67 | S | S | * | * | trans | -133.7 | 93.9 | 175.3 | -62.9 | 100.9 | 0 | 0 | 0 | 111.7 | S19 | S19-W21 VanDerWaalsContact C-N 3.26Å; S19-W21 PolarHBondContact O-N 2.69Å | ||
| 22 | N | 32.9 | Very low | 38.1 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 63% | 0.631 | 65% | 0.653 | S | S | * | * | trans | -69.5 | 125.4 | 168.9 | -163.5 | -13.4 | 0 | 0 | 0 | 108.8 | N24 A25 | N22-N24 PolarHBondContact O-N 2.81Å; N22-A25 PolarHBondContact O-N 2.94Å | ||
| 23 | P | 34.8 | Very low | 39.8 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 74% | 0.74 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -1.8 | -176.6 | -22.9 | 33 | 0 | 0 | 0 | 115.9 | ||
| 24 | N | 32.7 | Very low | 41 | Very low | 129 Ų | 129 | 116.9 Ų | 116.9 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 8.8 | -178.8 | -70.4 | -17.7 | 0 | 0 | 0 | 114.6 | N22 F26 | N22-N24 PolarHBondContact O-N 2.81Å; N24-F26 PolarHBondContact O-N 2.68Å; N24-F26 VanDerWaalsContact O-N 3.09Å |
| 25 | A | 36.6 | Very low | 42.6 | Very low | 75 Ų | 75 | 112.4 Ų | 112.4 | 62% | 0.62 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 10.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | N22 | N22-A25 PolarHBondContact O-N 2.94Š|
| 26 | F | 33.1 | Very low | 44.4 | Very low | 202 Ų | 202 | 107.7 Ų | 107.7 | 89% | 0.886 | 60% | 0.602 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.4 | 29.9 | 177.6 | -81.3 | -79 | 0 | 0 | 0 | 113.7 | N24 | N24-F26 PolarHBondContact O-N 2.68Å; N24-F26 VanDerWaalsContact O-N 3.09Å |
| 27 | E | 35.3 | Very low | 46.7 | Very low | 174 Ų | 174 | 108.7 Ų | 108.7 | 81% | 0.813 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -84.6 | 111.5 | 154.4 | -76 | -173.5 | 162.3 | 0 | 0 | 108.3 | D29 | E27-D29 VanDerWaalsContact C-N 3.35Å; E27-D29 PolarHBondContact O-N 3.32Å |
| 28 | T | 39.5 | Very low | 48.9 | Very low | 129 Ų | 129 | 107.3 Ų | 107.3 | 79% | 0.791 | 58% | 0.58 | S | S | * | * | trans | -52.3 | 95.6 | 168.5 | 16 | 0 | 0 | 0 | 0 | 109.9 | S30 | T28-S30 VanDerWaalsContact C-N 3.31Å; T28-S30 PolarHBondContact O-N 2.91Å; T28-S30 PolarHBondContact O-OG 2.72Å | ||
| 29 | D | 45.4 | Very low | 50.8 | Low | 69 Ų | 69 | 102.4 Ų | 102.4 | 37% | 0.369 | 56% | 0.555 | S | S | . | * | trans | -68.9 | 93.1 | 174.3 | -133.3 | -17 | 0 | 0 | 0 | 107.4 | E27 D31 R38 | E27-D29 VanDerWaalsContact C-N 3.35Å; E27-D29 PolarHBondContact O-N 3.32Å; D29-D31 PolarHBondContact O-N 2.82Å; D29-D31 VanDerWaalsContact O-N 3.13Å; D29-R38 IonicContact OD1-CZ 3.63Å; D29-R38 IonicContact OD1-NH1 3.67Å; D29-R38 PolarHBondContact OD1-NH1 3.25Å; D29-R38 IonicContact OD1-NH2 2.64Å; D29-R38 PolarHBondContact OD1-NH2 2.84Å; D29-R38 IonicContact OD2-CZ 3.56Å; D29-R38 IonicContact OD2-NE 3.29Å; D29-R38 IonicContact OD2-NH1 3.37Å; D29-R38 PolarHBondContact OD2-NH1 2.88Å; D29-R38 IonicContact OD2-NH2 3.68Å; D29-R38 PolarHBondContact OD2-NH2 3.06Å | ||
| 30 | S | 48.9 | Very low | 52.7 | Low | 106 Ų | 106 | 107.6 Ų | 107.6 | 74% | 0.741 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | 2.5 | -171.3 | -53.2 | 0 | 0 | 0 | 0 | 112.9 | T28 | T28-S30 VanDerWaalsContact C-N 3.31Å; T28-S30 PolarHBondContact O-N 2.91Å; T28-S30 PolarHBondContact O-OG 2.72Å |
| 31 | D | 58 | Low | 54.2 | Low | 131 Ų | 131 | 102.1 Ų | 102.1 | 70% | 0.701 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | 3.5 | -166.4 | -64.2 | -19.8 | 0 | 0 | 0 | 113.5 | D29 | D29-D31 PolarHBondContact O-N 2.82Å; D29-D31 VanDerWaalsContact O-N 3.13Å |
| 32 | L | 67.7 | Low | 55.6 | Low | 32 Ų | 32 | 99.1 Ų | 99.1 | 17% | 0.168 | 56% | 0.557 | C | S | . | * | S | Bend | trans | -109 | 138.1 | -179.6 | -65.2 | 173.4 | 0 | 0 | 0 | 112.2 | W36 R38 Y47 P60 | L32-W36 HydrophobicContact CB-CB 4.31Å; L32-R38 HydrophobicContact CD1-CB 3.94Å; L32-Y47 HydrophobicContact CD1-CD1 4.23Å; L32-Y47 HydrophobicContact CD1-CE1 4.32Å; L32-Y47 HydrophobicContact CD2-CD1 3.77Å; L32-Y47 HydrophobicContact CD2-CE1 3.73Å; L32-P60 HydrophobicContact CD2-CG 3.86Å |
| 33 | P | 70.8 | Confident | 56.9 | Low | 55 Ų | 55 | 97.4 Ų | 97.4 | 36% | 0.357 | 56% | 0.555 | S | S | . | * | trans | -59.9 | 154.2 | 174.2 | -19.8 | 31 | 0 | 0 | 0 | 112.2 | G35 W36 P60 | P33-G35 PolarHBondContact O-N 2.99Å; P33-W36 WeakPolarHBondContact O-CB 3.34Å; P33-W36 PolarHBondContact O-N 3.23Å; P33-W36 VanDerWaalsContact O-N 3.09Å; P33-P60 WeakPolarHBondContact CD-O 3.44Å; P33-P60 HydrophobicContact CG-CB 4.31Å | ||
| 34 | A | 62.7 | Low | 58.5 | Low | 100 Ų | 100 | 93.3 Ų | 93.3 | 83% | 0.826 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 130.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 35 | G | 64.1 | Low | 60.8 | Low | 31 Ų | 31 | 89.3 Ų | 89.3 | 32% | 0.32 | 51% | 0.513 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 90.8 | -4.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | P33 H49 I50 P51 | P33-G35 PolarHBondContact O-N 2.99Å; G35-H49 CarbonylContact O-C 3.55Å; G35-H49 WeakPolarHBondContact O-CA 3.31Å; G35-H49 PolarHBondContact O-CD2 2.99Å; G35-I50 PolarHBondContact O-N 2.73Å; G35-P51 WeakPolarHBondContact O-CD 3.5Å |
| 36 | W | 72.9 | Confident | 62.7 | Low | 56 Ų | 56 | 88.5 Ų | 88.5 | 21% | 0.212 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 141.3 | 175.9 | -68.4 | 85.9 | 0 | 0 | 0 | 112.3 | L32 P33 H49 Q56 P60 | L32-W36 HydrophobicContact CB-CB 4.31Å; P33-W36 WeakPolarHBondContact O-CB 3.34Å; P33-W36 PolarHBondContact O-N 3.23Å; P33-W36 VanDerWaalsContact O-N 3.09Å; W36-H49 AromaticContact CD1-CD2 3.39Å; W36-H49 HydrophobicContact CD2-CB 3.78Å; W36-H49 AromaticContact CD2-CD2 3.65Å; W36-H49 AromaticContact CD2-CG 3.99Å; W36-H49 AromaticContact CE2-CD2 3.37Å; W36-H49 AromaticContact CE2-CG 3.67Å; W36-H49 HydrophobicContact CE3-CB 3.69Å; W36-H49 AromaticContact CG-CD2 3.72Å; W36-H49 HydrophobicContact CH2-CB 3.74Å; W36-H49 HydrophobicContact CZ2-CB 3.8Å; W36-H49 AromaticContact CZ2-CD2 4Å; W36-H49 AromaticContact CZ2-CG 3.86Å; W36-H49 HydrophobicContact CZ3-CB 3.68Å; W36-H49 AromaticContact NE1-CD2 3.16Å; W36-H49 PolarHBondContact NE1-CD2 2.96Å; W36-H49 AromaticContact NE1-CG 3.92Å; W36-H49 AromaticContact NE1-NE2 3.66Å; W36-Q56 HydrophobicContact CH2-CG 4.25Å; W36-Q56 HydrophobicContact CZ3-CG 3.78Å; W36-P60 HydrophobicContact CB-CG 3.77Å; W36-P60 HydrophobicContact CD2-CB 3.49Å; W36-P60 VanDerWaalsContact CD2-CB 3.49Å; W36-P60 HydrophobicContact CD2-CG 3.35Å; W36-P60 HydrophobicContact CE3-CB 3.81Å; W36-P60 HydrophobicContact CE3-CG 3.47Å; W36-P60 VanDerWaalsContact CE3-CG 3.47Å; W36-P60 HydrophobicContact CG-CB 3.9Å; W36-P60 HydrophobicContact CG-CG 3.51Å; W36-P60 HydrophobicContact CH2-CB 4.2Å; W36-P60 HydrophobicContact CZ2-CB 3.94Å; W36-P60 HydrophobicContact CZ3-CB 4.14Å; W36-P60 HydrophobicContact CZ3-CG 4.16Å |
| 37 | M | 75.6 | Confident | 65 | Low | 74 Ų | 74 | 80 Ų | 80 | 37% | 0.365 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 132.5 | 178.1 | -177 | 164.4 | 67.4 | 0 | 0 | 110 | V39 Y47 W48 I50 | M37-V39 HydrophobicContact CE-CG2 4.13Å; M37-V39 HydrophobicContact CG-CG2 4.35Å; M37-Y47 CarbonylContact O-C 3.56Å; M37-Y47 WeakPolarHBondContact O-CA 3.21Å; M37-W48 HydrophobicContact CE-CE3 3.35Å; M37-W48 HydrophobicContact CE-CZ3 3.62Å; M37-W48 PolarHBondContact N-O 2.9Å; M37-W48 PolarHBondContact O-N 2.87Å; M37-I50 HydrophobicContact CB-CD1 4.12Å; M37-I50 HydrophobicContact CB-CG1 4.42Å; M37-I50 HydrophobicContact CE-CD1 4.4Å; M37-I50 HydrophobicContact SD-CD1 4.42Å |
| 38 | R | 78.8 | Confident | 66.7 | Low | 103 Ų | 103 | 76.2 Ų | 76.2 | 39% | 0.389 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.1 | 169 | -175.1 | -174.3 | -68.6 | 143.7 | 14.4 | 108.6 | D29 L32 T45 Y47 | D29-R38 IonicContact OD1-CZ 3.63Å; D29-R38 IonicContact OD1-NH1 3.67Å; D29-R38 PolarHBondContact OD1-NH1 3.25Å; D29-R38 IonicContact OD1-NH2 2.64Å; D29-R38 PolarHBondContact OD1-NH2 2.84Å; D29-R38 IonicContact OD2-CZ 3.56Å; D29-R38 IonicContact OD2-NE 3.29Å; D29-R38 IonicContact OD2-NH1 3.37Å; D29-R38 PolarHBondContact OD2-NH1 2.88Å; D29-R38 IonicContact OD2-NH2 3.68Å; D29-R38 PolarHBondContact OD2-NH2 3.06Å; L32-R38 HydrophobicContact CD1-CB 3.94Å; R38-T45 HydrophobicContact CG-CG2 3.34Å; R38-Y47 HydrophobicContact CB-CD1 3.98Å; R38-Y47 HydrophobicContact CB-CE1 3.79Å; R38-Y47 HydrophobicContact CG-CD1 4.24Å; R38-Y47 HydrophobicContact CG-CE1 3.73Å; R38-Y47 PolarHBondContact NE-OH 3.07Å |
| 39 | V | 76.4 | Confident | 68.3 | Low | 31 Ų | 31 | 71.6 Ų | 71.6 | 19% | 0.188 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 130.5 | 178.1 | -171.3 | 0 | 0 | 0 | 0 | 108 | M37 T45 Y46 W48 | M37-V39 HydrophobicContact CE-CG2 4.13Å; M37-V39 HydrophobicContact CG-CG2 4.35Å; V39-T45 CarbonylContact O-C 3.56Å; V39-T45 WeakPolarHBondContact O-CA 3.4Å; V39-Y46 HydrophobicContact CB-CD1 4.24Å; V39-Y46 HydrophobicContact CB-CD2 4.1Å; V39-Y46 HydrophobicContact CB-CE1 3.87Å; V39-Y46 HydrophobicContact CB-CE2 3.73Å; V39-Y46 HydrophobicContact CB-CG 4.35Å; V39-Y46 HydrophobicContact CG1-CD1 4.46Å; V39-Y46 HydrophobicContact CG1-CE1 3.66Å; V39-Y46 HydrophobicContact CG1-CE2 4.02Å; V39-Y46 VanDerWaalsContact CG1-CZ 3.41Å; V39-Y46 WeakPolarHBondContact CG1-OH 3.3Å; V39-Y46 HydrophobicContact CG2-CE2 4.06Å; V39-Y46 PolarHBondContact N-O 2.86Å; V39-Y46 PolarHBondContact O-N 2.8Å; V39-W48 HydrophobicContact CG2-CB 4.11Å |
| 40 | Q | 73.1 | Confident | 69 | Low | 153 Ų | 153 | 72.7 Ų | 72.7 | 72% | 0.715 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.1 | 179 | -169.9 | 172.9 | 7.2 | 0 | 0 | 109.3 | ||
| 41 | D | 66.9 | Low | 69 | Low | 50 Ų | 50 | 72.2 Ų | 72.2 | 27% | 0.267 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | -172.6 | 178.6 | 71.7 | 13.3 | 0 | 0 | 0 | 111.7 | S43 G44 Y46 | D41-S43 PolarHBondContact O-N 2.83Å; D41-S43 VanDerWaalsContact OD1-CA 3.27Å; D41-S43 WeakPolarHBondContact OD1-CA 3.03Å; D41-S43 WeakPolarHBondContact OD1-CB 3.45Å; D41-S43 PolarHBondContact OD1-N 2.82Å; D41-S43 PolarHBondContact OD1-OG 3.08Å; D41-S43 PolarHBondContact OD2-OG 3.23Å; D41-G44 PolarHBondContact N-O 2.85Å; D41-G44 PolarHBondContact O-N 3.5Å; D41-G44 PolarHBondContact OD1-N 2.82Å; D41-Y46 HydrophobicContact CB-CE1 4.3Å; D41-Y46 WeakPolarHBondContact OD2-CE1 3.4Å |
| 42 | T | 60.7 | Low | 68.7 | Low | 149 Ų | 149 | 70.1 Ų | 70.1 | 91% | 0.914 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -11.5 | 178.6 | 50.3 | 0 | 0 | 0 | 0 | 114.2 | ||
| 43 | S | 62 | Low | 68.4 | Low | 83 Ų | 83 | 70.8 Ų | 70.8 | 58% | 0.58 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.8 | -12 | -179.5 | 68 | 0 | 0 | 0 | 0 | 113.8 | D41 W57 | D41-S43 PolarHBondContact O-N 2.83Å; D41-S43 VanDerWaalsContact OD1-CA 3.27Å; D41-S43 WeakPolarHBondContact OD1-CA 3.03Å; D41-S43 WeakPolarHBondContact OD1-CB 3.45Å; D41-S43 PolarHBondContact OD1-N 2.82Å; D41-S43 PolarHBondContact OD1-OG 3.08Å; D41-S43 PolarHBondContact OD2-OG 3.23Å; S43-W57 WeakPolarHBondContact OG-CH2 3.3Å |
| 44 | G | 67.5 | Low | 68.1 | Low | 27 Ų | 27 | 71.6 Ų | 71.6 | 28% | 0.278 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 141.8 | -162.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D41 | D41-G44 PolarHBondContact N-O 2.85Å; D41-G44 PolarHBondContact O-N 3.5Å; D41-G44 PolarHBondContact OD1-N 2.82Å |
| 45 | T | 81 | Confident | 68.8 | Low | 46 Ų | 46 | 71 Ų | 71 | 28% | 0.282 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 120.8 | 176 | -56.7 | 0 | 0 | 0 | 0 | 109.3 | R38 V39 Y47 | R38-T45 HydrophobicContact CG-CG2 3.34Å; V39-T45 CarbonylContact O-C 3.56Å; V39-T45 WeakPolarHBondContact O-CA 3.4Å; T45-Y47 HydrophobicContact CG2-CE2 4.46Å |
| 46 | Y | 76.2 | Confident | 69.5 | Low | 58 Ų | 58 | 72 Ų | 72 | 23% | 0.227 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 164.7 | 171.3 | 67.4 | -85 | 0 | 0 | 0 | 111.1 | V39 D41 T55 Q56 W57 | V39-Y46 HydrophobicContact CB-CD1 4.24Å; V39-Y46 HydrophobicContact CB-CD2 4.1Å; V39-Y46 HydrophobicContact CB-CE1 3.87Å; V39-Y46 HydrophobicContact CB-CE2 3.73Å; V39-Y46 HydrophobicContact CB-CG 4.35Å; V39-Y46 HydrophobicContact CG1-CD1 4.46Å; V39-Y46 HydrophobicContact CG1-CE1 3.66Å; V39-Y46 HydrophobicContact CG1-CE2 4.02Å; V39-Y46 VanDerWaalsContact CG1-CZ 3.41Å; V39-Y46 WeakPolarHBondContact CG1-OH 3.3Å; V39-Y46 HydrophobicContact CG2-CE2 4.06Å; V39-Y46 PolarHBondContact N-O 2.86Å; V39-Y46 PolarHBondContact O-N 2.8Å; D41-Y46 HydrophobicContact CB-CE1 4.3Å; D41-Y46 WeakPolarHBondContact OD2-CE1 3.4Å; Y46-T55 HydrophobicContact CD2-CG2 4.25Å; Y46-T55 HydrophobicContact CE2-CG2 4.2Å; Y46-Q56 CarbonylContact C-O 3.52Å; Y46-Q56 WeakPolarHBondContact CA-O 3.34Å; Y46-Q56 WeakPolarHBondContact CB-O 3.27Å; Y46-W57 HydrophobicContact CD1-CH2 4.15Å; Y46-W57 HydrophobicContact CD1-CZ3 4.09Å; Y46-W57 HydrophobicContact CG-CZ3 4.37Å |
| 47 | Y | 81.3 | Confident | 69.9 | Low | 22 Ų | 22 | 76.3 Ų | 76.3 | 9% | 0.086 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 128.5 | -177 | -60.2 | -91.7 | 0 | 0 | 0 | 109.1 | L32 M37 R38 T45 T55 Q56 W57 E58 P59 P60 | L32-Y47 HydrophobicContact CD1-CD1 4.23Å; L32-Y47 HydrophobicContact CD1-CE1 4.32Å; L32-Y47 HydrophobicContact CD2-CD1 3.77Å; L32-Y47 HydrophobicContact CD2-CE1 3.73Å; M37-Y47 CarbonylContact O-C 3.56Å; M37-Y47 WeakPolarHBondContact O-CA 3.21Å; R38-Y47 HydrophobicContact CB-CD1 3.98Å; R38-Y47 HydrophobicContact CB-CE1 3.79Å; R38-Y47 HydrophobicContact CG-CD1 4.24Å; R38-Y47 HydrophobicContact CG-CE1 3.73Å; R38-Y47 PolarHBondContact NE-OH 3.07Å; T45-Y47 HydrophobicContact CG2-CE2 4.46Å; Y47-T55 CarbonylContact O-C 3.48Å; Y47-T55 VanDerWaalsContact O-CA 3.31Å; Y47-T55 WeakPolarHBondContact O-CA 2.92Å; Y47-Q56 PolarHBondContact N-O 2.92Å; Y47-Q56 PolarHBondContact O-N 2.77Å; Y47-W57 WeakPolarHBondContact CE2-O 3.41Å; Y47-E58 WeakPolarHBondContact CD2-O 3.44Å; Y47-P59 HydrophobicContact CE1-CB 4.07Å; Y47-P59 HydrophobicContact CE2-CB 3.96Å; Y47-P59 HydrophobicContact CE2-CG 3.89Å; Y47-P60 HydrophobicContact CD1-CG 4.5Å |
| 48 | W | 71.3 | Confident | 69.9 | Low | 95 Ų | 95 | 78.7 Ų | 78.7 | 36% | 0.36 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 124.8 | -177 | -179 | 37.6 | 0 | 0 | 0 | 110.4 | M37 V39 I50 T54 T55 | M37-W48 HydrophobicContact CE-CE3 3.35Å; M37-W48 HydrophobicContact CE-CZ3 3.62Å; M37-W48 PolarHBondContact N-O 2.9Å; M37-W48 PolarHBondContact O-N 2.87Å; V39-W48 HydrophobicContact CG2-CB 4.11Å; W48-I50 HydrophobicContact CD2-CG1 4.48Å; W48-I50 HydrophobicContact CE3-CG1 4.35Å; W48-T54 WeakPolarHBondContact CA-O 3.42Å; W48-T55 HydrophobicContact CB-CG2 4.33Å; W48-T55 HydrophobicContact CG-CG2 4.21Å |
| 49 | H | 73 | Confident | 69.9 | Low | 32 Ų | 32 | 76.3 Ų | 76.3 | 15% | 0.148 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 101.9 | 173.7 | -169 | -124.5 | 0 | 0 | 0 | 109.9 | G35 W36 T52 G53 T54 | G35-H49 CarbonylContact O-C 3.55Å; G35-H49 WeakPolarHBondContact O-CA 3.31Å; G35-H49 PolarHBondContact O-CD2 2.99Å; W36-H49 AromaticContact CD1-CD2 3.39Å; W36-H49 HydrophobicContact CD2-CB 3.78Å; W36-H49 AromaticContact CD2-CD2 3.65Å; W36-H49 AromaticContact CD2-CG 3.99Å; W36-H49 AromaticContact CE2-CD2 3.37Å; W36-H49 AromaticContact CE2-CG 3.67Å; W36-H49 HydrophobicContact CE3-CB 3.69Å; W36-H49 AromaticContact CG-CD2 3.72Å; W36-H49 HydrophobicContact CH2-CB 3.74Å; W36-H49 HydrophobicContact CZ2-CB 3.8Å; W36-H49 AromaticContact CZ2-CD2 4Å; W36-H49 AromaticContact CZ2-CG 3.86Å; W36-H49 HydrophobicContact CZ3-CB 3.68Å; W36-H49 AromaticContact NE1-CD2 3.16Å; W36-H49 PolarHBondContact NE1-CD2 2.96Å; W36-H49 AromaticContact NE1-CG 3.92Å; W36-H49 AromaticContact NE1-NE2 3.66Å; H49-T52 VanDerWaalsContact ND1-CG2 3.33Å; H49-T52 WeakPolarHBondContact ND1-CG2 3.37Å; H49-T52 PolarHBondContact ND1-OG1 2.94Å; H49-T52 PolarHBondContact O-N 2.87Å; H49-G53 WeakPolarHBondContact O-CA 3.5Å; H49-G53 PolarHBondContact O-N 3.35Å; H49-T54 PolarHBondContact N-O 3.33Å; H49-T54 PolarHBondContact O-N 3.47Å |
| 50 | I | 60.1 | Low | 69.4 | Low | 93 Ų | 93 | 75.4 Ų | 75.4 | 48% | 0.477 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59 | -41.6 | -171.5 | -56.5 | 168.4 | 0 | 0 | 0 | 112.4 | G35 M37 W48 T52 | G35-I50 PolarHBondContact O-N 2.73Å; M37-I50 HydrophobicContact CB-CD1 4.12Å; M37-I50 HydrophobicContact CB-CG1 4.42Å; M37-I50 HydrophobicContact CE-CD1 4.4Å; M37-I50 HydrophobicContact SD-CD1 4.42Å; W48-I50 HydrophobicContact CD2-CG1 4.48Å; W48-I50 HydrophobicContact CE3-CG1 4.35Å; I50-T52 PolarHBondContact O-N 3.44Å |
| 51 | P | 50.1 | Low | 68.9 | Low | 96 Ų | 96 | 71.4 Ų | 71.4 | 62% | 0.623 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -28.3 | -179.2 | -22 | 34.4 | 0 | 0 | 0 | 115.1 | G35 | G35-P51 WeakPolarHBondContact O-CD 3.5Š|
| 52 | T | 49.9 | Very low | 68.2 | Low | 86 Ų | 86 | 79.3 Ų | 79.3 | 53% | 0.528 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -9.6 | -175.7 | 65.6 | 0 | 0 | 0 | 0 | 113.6 | H49 I50 T54 | H49-T52 VanDerWaalsContact ND1-CG2 3.33Å; H49-T52 WeakPolarHBondContact ND1-CG2 3.37Å; H49-T52 PolarHBondContact ND1-OG1 2.94Å; H49-T52 PolarHBondContact O-N 2.87Å; I50-T52 PolarHBondContact O-N 3.44Å; T52-T54 PolarHBondContact O-N 3Å; T52-T54 WeakPolarHBondContact OG1-CB 3.48Å; T52-T54 PolarHBondContact OG1-OG1 3.46Å |
| 53 | G | 62.5 | Low | 67 | Low | 47 Ų | 47 | 76.6 Ų | 76.6 | 49% | 0.485 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 8.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | H49 | H49-G53 WeakPolarHBondContact O-CA 3.5Å; H49-G53 PolarHBondContact O-N 3.35Å |
| 54 | T | 64.1 | Low | 65.6 | Low | 71 Ų | 71 | 77.9 Ų | 77.9 | 44% | 0.436 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 136.3 | -174.3 | -47.5 | 0 | 0 | 0 | 0 | 111.4 | W48 H49 T52 | W48-T54 WeakPolarHBondContact CA-O 3.42Å; H49-T54 PolarHBondContact N-O 3.33Å; H49-T54 PolarHBondContact O-N 3.47Å; T52-T54 PolarHBondContact O-N 3Å; T52-T54 WeakPolarHBondContact OG1-CB 3.48Å; T52-T54 PolarHBondContact OG1-OG1 3.46Å |
| 55 | T | 77.8 | Confident | 64 | Low | 87 Ų | 87 | 82.5 Ų | 82.5 | 53% | 0.534 | 47% | 0.469 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 141.3 | 175.9 | 55 | 0 | 0 | 0 | 0 | 111.3 | Y46 Y47 W48 | Y46-T55 HydrophobicContact CD2-CG2 4.25Å; Y46-T55 HydrophobicContact CE2-CG2 4.2Å; Y47-T55 CarbonylContact O-C 3.48Å; Y47-T55 VanDerWaalsContact O-CA 3.31Å; Y47-T55 WeakPolarHBondContact O-CA 2.92Å; W48-T55 HydrophobicContact CB-CG2 4.33Å; W48-T55 HydrophobicContact CG-CG2 4.21Å |
| 56 | Q | 78.6 | Confident | 61.8 | Low | 54 Ų | 54 | 85.1 Ų | 85.1 | 25% | 0.252 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 155 | 176.3 | 62.7 | -176.3 | 58.2 | 0 | 0 | 111.2 | W36 Y46 Y47 E58 | W36-Q56 HydrophobicContact CH2-CG 4.25Å; W36-Q56 HydrophobicContact CZ3-CG 3.78Å; Y46-Q56 CarbonylContact C-O 3.52Å; Y46-Q56 WeakPolarHBondContact CA-O 3.34Å; Y46-Q56 WeakPolarHBondContact CB-O 3.27Å; Y47-Q56 PolarHBondContact N-O 2.92Å; Y47-Q56 PolarHBondContact O-N 2.77Å; Q56-E58 WeakPolarHBondContact CG-O 3.49Å; Q56-E58 PolarHBondContact NE2-O 3.41Å |
| 57 | W | 81.3 | Confident | 59.8 | Low | 145 Ų | 145 | 92 Ų | 92 | 55% | 0.549 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -87.5 | -21.7 | 179.3 | -64.3 | 97.6 | 0 | 0 | 0 | 112.2 | S43 Y46 Y47 | S43-W57 WeakPolarHBondContact OG-CH2 3.3Å; Y46-W57 HydrophobicContact CD1-CH2 4.15Å; Y46-W57 HydrophobicContact CD1-CZ3 4.09Å; Y46-W57 HydrophobicContact CG-CZ3 4.37Å; Y47-W57 WeakPolarHBondContact CE2-O 3.41Å |
| 58 | E | 75.9 | Confident | 57.3 | Low | 125 Ų | 125 | 94.3 Ų | 94.3 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -86.6 | 148.6 | 178.1 | -59.1 | 77.3 | -165.5 | 0 | 0 | 112.7 | Y47 Q56 | Y47-E58 WeakPolarHBondContact CD2-O 3.44Å; Q56-E58 WeakPolarHBondContact CG-O 3.49Å; Q56-E58 PolarHBondContact NE2-O 3.41Å |
| 59 | P | 78.5 | Confident | 55.2 | Low | 52 Ų | 52 | 96 Ų | 96 | 34% | 0.338 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -69.7 | 128.2 | 176.6 | -8.4 | 20.9 | 0 | 0 | 0 | 111.8 | Y47 | Y47-P59 HydrophobicContact CE1-CB 4.07Å; Y47-P59 HydrophobicContact CE2-CB 3.96Å; Y47-P59 HydrophobicContact CE2-CG 3.89Å |
| 60 | P | 65.8 | Low | 53 | Low | 12 Ų | 12 | 99.9 Ų | 99.9 | 8% | 0.078 | 61% | 0.612 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | 131.6 | 173.6 | 29.5 | -37.1 | 0 | 0 | 0 | 110.5 | L32 P33 W36 Y47 | L32-P60 HydrophobicContact CD2-CG 3.86Å; P33-P60 WeakPolarHBondContact CD-O 3.44Å; P33-P60 HydrophobicContact CG-CB 4.31Å; W36-P60 HydrophobicContact CB-CG 3.77Å; W36-P60 HydrophobicContact CD2-CB 3.49Å; W36-P60 VanDerWaalsContact CD2-CB 3.49Å; W36-P60 HydrophobicContact CD2-CG 3.35Å; W36-P60 HydrophobicContact CE3-CB 3.81Å; W36-P60 HydrophobicContact CE3-CG 3.47Å; W36-P60 VanDerWaalsContact CE3-CG 3.47Å; W36-P60 HydrophobicContact CG-CB 3.9Å; W36-P60 HydrophobicContact CG-CG 3.51Å; W36-P60 HydrophobicContact CH2-CB 4.2Å; W36-P60 HydrophobicContact CZ2-CB 3.94Å; W36-P60 HydrophobicContact CZ3-CB 4.14Å; W36-P60 HydrophobicContact CZ3-CG 4.16Å; Y47-P60 HydrophobicContact CD1-CG 4.5Å |
| 61 | G | 62.8 | Low | 52.1 | Low | 70 Ų | 70 | 100.8 Ų | 100.8 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 98.5 | 3.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | A63 | G61-A63 PolarHBondContact O-N 2.61Š|
| 62 | R | 51.3 | Low | 51 | Low | 215 Ų | 215 | 105.3 Ų | 105.3 | 81% | 0.811 | 64% | 0.636 | S | S | * | * | trans | -78.8 | 99.9 | 167.3 | -94.8 | -174.5 | 177.5 | -174.6 | 0.7 | 111.1 | ||||
| 63 | A | 36.3 | Very low | 49.8 | Very low | 93 Ų | 93 | 109.9 Ų | 109.9 | 77% | 0.769 | 65% | 0.652 | S | S | * | * | trans | -71.2 | 118.5 | 148.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | G61 | G61-A63 PolarHBondContact O-N 2.61Š| ||
| 64 | S | 33.1 | Very low | 48.1 | Very low | 110 Ų | 110 | 114.5 Ų | 114.5 | 77% | 0.769 | 66% | 0.661 | S | S | * | * | trans | -62.1 | 128.1 | 175.5 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | S66 | S64-S66 PolarHBondContact O-N 3.09Å; S64-S66 VanDerWaalsContact O-N 3.14Å | ||
| 65 | P | 33.4 | Very low | 46.2 | Very low | 123 Ų | 123 | 116.6 Ų | 116.6 | 80% | 0.799 | 68% | 0.679 | S | S | * | * | trans | -76.5 | 100.4 | 163.6 | 18.1 | -7.5 | 0 | 0 | 0 | 108.9 | ||||
| 66 | S | 35.3 | Very low | 43.6 | Very low | 102 Ų | 102 | 118.7 Ų | 118.7 | 71% | 0.713 | 68% | 0.682 | S | S | * | * | trans | 16.9 | 123.7 | 149.5 | 60.2 | 0 | 0 | 0 | 0 | 119.2 | S64 | S64-S66 PolarHBondContact O-N 3.09Å; S64-S66 VanDerWaalsContact O-N 3.14Å | ||
| 67 | Q | 33 | Very low | 41.1 | Very low | 201 Ų | 201 | 124 Ų | 124 | 94% | 0.939 | 71% | 0.711 | S | S | * | * | -147.5 | 126 | 118.6 | -76.9 | -148.5 | -21.6 | 0 | 0 | 109.3 | |||||
| 68 | G | 28.8 | Very low | 38.5 | Very low | 72 Ų | 72 | 122.5 Ų | 122.5 | 74% | 0.742 | 72% | 0.719 | S | S | * | * | trans | -74.3 | 152.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 69 | S | 27.9 | Very low | 36.1 | Very low | 130 Ų | 130 | 128.1 Ų | 128.1 | 91% | 0.909 | 74% | 0.735 | S | S | * | * | trans | -174.8 | 114.5 | 144.4 | -72.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 70 | S | 27.5 | Very low | 33.7 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 79% | 0.79 | 76% | 0.758 | S | S | * | * | trans | -108.3 | 159 | 159.1 | 52.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 71 | P | 41.2 | Very low | 31.6 | Very low | 112 Ų | 112 | 134.5 Ų | 134.5 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | cis | -143.8 | -171 | 25.1 | 37.5 | -14.5 | 0 | 0 | 0 | 115.9 | ||||
| 72 | Q | 25.4 | Very low | 29.8 | Very low | 191 Ų | 191 | 141.3 Ų | 141.3 | 89% | 0.893 | 80% | 0.795 | S | S | * | * | trans | 75.4 | 126.2 | 177.3 | -66.4 | 177.2 | -71.1 | 0 | 0 | 114.4 | ||||
| 73 | E | 26.2 | Very low | 28.6 | Very low | 183 Ų | 183 | 135.5 Ų | 135.5 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | -155.7 | 135.4 | 50.4 | -165.3 | 173.1 | -179.3 | 0 | 0 | 110.2 | |||||
| 74 | E | 25.9 | Very low | 28.1 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 67% | 0.673 | 80% | 0.795 | S | S | * | * | trans | -85.9 | 137.3 | 173 | -176.2 | -178 | 165.3 | 0 | 0 | 109.6 | Q76 | E74-Q76 HydrophobicContact CG-CG 4.3Å; E74-Q76 WeakPolarHBondContact OE1-CG 3.33Å; E74-Q76 PolarHBondContact OE1-NE2 3.06Å | ||
| 75 | S | 23.2 | Very low | 27.8 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | -151.8 | 102.4 | 153.6 | -71.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 76 | Q | 23.5 | Very low | 27.5 | Very low | 130 Ų | 130 | 142.6 Ų | 142.6 | 61% | 0.607 | 79% | 0.787 | S | S | * | * | trans | -56.5 | 152.9 | 173.9 | -58 | 176 | -0.2 | 0 | 0 | 113.1 | E74 | E74-Q76 HydrophobicContact CG-CG 4.3Å; E74-Q76 WeakPolarHBondContact OE1-CG 3.33Å; E74-Q76 PolarHBondContact OE1-NE2 3.06Å | ||
| 77 | L | 27.4 | Very low | 27.1 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 87% | 0.869 | 79% | 0.789 | S | S | * | * | trans | -143.2 | 86.7 | 134.9 | -75.8 | -177.7 | 0 | 0 | 0 | 109.6 | ||||
| 78 | T | 25.4 | Very low | 26.6 | Very low | 114 Ų | 114 | 140.3 Ų | 140.3 | 70% | 0.699 | 78% | 0.782 | S | S | * | * | trans | -85.5 | 127 | 155 | 28.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 79 | W | 25.5 | Very low | 26.5 | Very low | 243 Ų | 243 | 143.5 Ų | 143.5 | 92% | 0.92 | 78% | 0.778 | S | S | * | * | trans | -91.7 | 97.1 | 166.2 | -92.7 | 94.8 | 0 | 0 | 0 | 109.6 | ||||
| 80 | T | 28.1 | Very low | 26.4 | Very low | 136 Ų | 136 | 146 Ų | 146 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -149.7 | 119.3 | 146.2 | 45.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 81 | G | 23.1 | Very low | 26.2 | Very low | 61 Ų | 61 | 143.6 Ų | 143.6 | 63% | 0.629 | 77% | 0.768 | S | S | * | * | trans | -75 | 136.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 82 | F | 24.7 | Very low | 25.6 | Very low | 213 Ų | 213 | 147.1 Ų | 147.1 | 93% | 0.934 | 78% | 0.775 | S | S | * | * | trans | 28.4 | 115.2 | 141.6 | -58.2 | -82 | 0 | 0 | 0 | 120.3 | ||||
| 83 | A | 25 | Very low | 25.7 | Very low | 94 Ų | 94 | 145.8 Ų | 145.8 | 78% | 0.777 | 77% | 0.766 | S | S | * | * | -144.9 | 129.1 | 119.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 84 | H | 27.4 | Very low | 25.7 | Very low | 174 Ų | 174 | 146.1 Ų | 146.1 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | 7.4 | 156.7 | 163.9 | -70.6 | -76.7 | 0 | 0 | 0 | 121.9 | ||||
| 85 | Q | 25.6 | Very low | 25.6 | Very low | 130 Ų | 130 | 147 Ų | 147 | 61% | 0.607 | 76% | 0.762 | S | S | * | * | cis | 174.6 | 131.9 | -24 | 170.3 | 170.8 | 2.6 | 0 | 0 | 103.3 | ||||
| 86 | E | 27.9 | Very low | 25.7 | Very low | 171 Ų | 171 | 148.3 Ų | 148.3 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | trans | 64.8 | 130.2 | 156.1 | -73.7 | 166.1 | -161.8 | 0 | 0 | 121.6 | ||||
| 87 | G | 25.8 | Very low | 25.9 | Very low | 73 Ų | 73 | 151 Ų | 151 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | 141.8 | 83 | 126.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 88 | F | 23.9 | Very low | 26.7 | Very low | 182 Ų | 182 | 147.7 Ų | 147.7 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | 76.6 | 108.7 | 129.3 | -135.9 | -104.9 | 0 | 0 | 0 | 121.7 | |||||
| 89 | E | 26 | Very low | 26.7 | Very low | 138 Ų | 138 | 148.2 Ų | 148.2 | 65% | 0.645 | 77% | 0.769 | S | S | * | * | 41.2 | 143.5 | 127.3 | -60.1 | -169.6 | 154.1 | 0 | 0 | 124.8 | |||||
| 90 | E | 25.6 | Very low | 26.9 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | 62 | 124.1 | 152.2 | -73.8 | -177.7 | 161.6 | 0 | 0 | 117.3 | ||||
| 91 | G | 24.1 | Very low | 26.7 | Very low | 63 Ų | 63 | 148.1 Ų | 148.1 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | cis | 129.6 | 146.2 | 33.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 92 | E | 27.6 | Very low | 27 | Very low | 185 Ų | 185 | 149.7 Ų | 149.7 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 78.1 | 142.1 | 155.9 | -57.1 | -163.2 | 175.7 | 0 | 0 | 116.2 | ||||
| 93 | F | 27.4 | Very low | 27.8 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 72% | 0.715 | 77% | 0.77 | S | S | * | * | cis | 170.1 | 127.2 | 7.4 | 164.5 | -100.1 | 0 | 0 | 0 | 108.1 | ||||
| 94 | W | 27.6 | Very low | 27.9 | Very low | 191 Ų | 191 | 150.1 Ų | 150.1 | 72% | 0.723 | 78% | 0.778 | S | S | * | * | trans | 60.5 | 132.1 | 162.7 | -57.1 | 120.2 | 0 | 0 | 0 | 124.9 | ||||
| 95 | K | 23.5 | Very low | 27.9 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 71% | 0.709 | 78% | 0.779 | S | S | * | * | 82.8 | 118.7 | 125.9 | -85.7 | 178.6 | 167.9 | -177.8 | 0 | 120.9 | |||||
| 96 | D | 25.6 | Very low | 28 | Very low | 142 Ų | 142 | 152.5 Ų | 152.5 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | 37.9 | 128.4 | 111.7 | -54.5 | -19 | 0 | 0 | 0 | 116.4 | |||||
| 97 | E | 26.5 | Very low | 27.9 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | cis | -168.1 | 179.3 | 38.2 | -124.5 | -150.4 | 104.6 | 0 | 0 | 109.4 | ||||
| 98 | P | 44.5 | Very low | 28 | Very low | 96 Ų | 96 | 152.2 Ų | 152.2 | 62% | 0.623 | 80% | 0.796 | S | S | * | * | trans | -95.7 | 171.1 | -164.8 | 40.8 | -37 | 0 | 0 | 0 | 114.1 | ||||
| 99 | S | 25.5 | Very low | 28.2 | Very low | 124 Ų | 124 | 153.4 Ų | 153.4 | 87% | 0.867 | 80% | 0.802 | S | S | * | * | trans | -162 | 146.9 | 151.5 | -53.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 100 | E | 29 | Very low | 28.3 | Very low | 183 Ų | 183 | 154 Ų | 154 | 86% | 0.855 | 81% | 0.809 | S | S | * | * | trans | -59.4 | 162.4 | 175.1 | -54.3 | -175.7 | 124.5 | 0 | 0 | 114.8 | ||||
| 101 | E | 25.6 | Very low | 28.9 | Very low | 194 Ų | 194 | 150.4 Ų | 150.4 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | 176.9 | 153.9 | 113 | -92.8 | -174 | -168.8 | 0 | 0 | 111.5 | |||||
| 102 | A | 28.4 | Very low | 29.2 | Very low | 95 Ų | 95 | 155.6 Ų | 155.6 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -97.1 | -152 | -162 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 103 | P | 42.2 | Very low | 29.2 | Very low | 124 Ų | 124 | 154.5 Ų | 154.5 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | -106.6 | 165.3 | -123.3 | 29.2 | -8 | 0 | 0 | 0 | 114.6 | |||||
| 104 | M | 25.4 | Very low | 29.2 | Very low | 191 Ų | 191 | 151.6 Ų | 151.6 | 94% | 0.941 | 81% | 0.81 | S | S | * | * | trans | -143 | 127.2 | 171.3 | -125.7 | -177.6 | -77.2 | 0 | 0 | 113.2 | ||||
| 105 | E | 29 | Very low | 29.2 | Very low | 177 Ų | 177 | 147.9 Ų | 147.9 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | -78.6 | 162.1 | 165.3 | -74.9 | -145.2 | 153.2 | 0 | 0 | 112.4 | ||||
| 106 | L | 27.6 | Very low | 29.3 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 93% | 0.927 | 82% | 0.818 | S | S | * | * | 176.1 | 135.7 | 125.8 | -93.8 | 163.7 | 0 | 0 | 0 | 112.4 | |||||
| 107 | G | 24.9 | Very low | 29.4 | Very low | 69 Ų | 69 | 146.7 Ų | 146.7 | 71% | 0.711 | 82% | 0.818 | S | S | * | * | 120.7 | 76 | 128.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 108 | L | 28.9 | Very low | 29.5 | Very low | 169 Ų | 169 | 147 Ų | 147 | 89% | 0.885 | 82% | 0.817 | S | S | * | * | trans | 8.5 | 132.3 | 136.3 | -60.2 | 167.3 | 0 | 0 | 0 | 121.7 | ||||
| 109 | K | 27 | Very low | 28.8 | Very low | 208 Ų | 208 | 148.5 Ų | 148.5 | 90% | 0.904 | 83% | 0.826 | S | S | * | * | -177.6 | 122 | 116.9 | -106.2 | 175.4 | 169.9 | -177.7 | 0 | 114 | |||||
| 110 | D | 27.8 | Very low | 28.8 | Very low | 150 Ų | 150 | 147.2 Ų | 147.2 | 80% | 0.802 | 82% | 0.823 | S | S | * | * | trans | -74.6 | 172.5 | 158.1 | -69.4 | -60.1 | 0 | 0 | 0 | 111.5 | ||||
| 111 | P | 39.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 148 Ų | 148 | 70% | 0.701 | 83% | 0.827 | S | S | * | * | -143.7 | 145.9 | 89.1 | 39.1 | -22.6 | 0 | 0 | 0 | 116.4 | |||||
| 112 | E | 30.8 | Very low | 28.8 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | 61.2 | 142.1 | 128 | -71.7 | 179.9 | 158.4 | 0 | 0 | 119.9 | |||||
| 113 | E | 26.3 | Very low | 28.7 | Very low | 162 Ų | 162 | 147.6 Ų | 147.6 | 76% | 0.757 | 83% | 0.825 | S | S | * | * | cis | -175.2 | 141.6 | 2.8 | -155.2 | 178.3 | 179.1 | 0 | 0 | 105.9 | ||||
| 114 | A | 27.1 | Very low | 28.1 | Very low | 103 Ų | 103 | 146.7 Ų | 146.7 | 85% | 0.851 | 82% | 0.822 | S | S | * | * | trans | 176.8 | 87.7 | 145.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 115 | T | 27.5 | Very low | 28.8 | Very low | 113 Ų | 113 | 143 Ų | 143 | 69% | 0.693 | 81% | 0.812 | S | S | * | * | trans | -42.8 | 146 | 157.1 | -19.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 116 | L | 26.8 | Very low | 28.6 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 90% | 0.901 | 81% | 0.814 | S | S | * | * | -166.1 | 143.7 | 85.5 | -81.5 | 174.2 | 0 | 0 | 0 | 112.5 | |||||
| 117 | S | 26.9 | Very low | 28.7 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | trans | -91.8 | 160.7 | -172.3 | -166 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 118 | F | 27.6 | Very low | 28.9 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -60.7 | 168 | 177.1 | -63.5 | -91.4 | 0 | 0 | 0 | 114.8 | ||||
| 119 | P | 30.9 | Very low | 29 | Very low | 126 Ų | 126 | 141.4 Ų | 141.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -126.2 | 136 | 130.3 | 34 | -23.5 | 0 | 0 | 0 | 112.3 | ||||
| 120 | A | 25.2 | Very low | 29.1 | Very low | 98 Ų | 98 | 139.2 Ų | 139.2 | 81% | 0.81 | 80% | 0.799 | S | S | * | * | trans | -90 | 129.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 121 | Q | 26.7 | Very low | 29.4 | Very low | 200 Ų | 200 | 140.8 Ų | 140.8 | 94% | 0.935 | 80% | 0.801 | S | S | * | * | trans | -135.7 | 131 | 155.9 | -79.9 | -169.8 | -0.7 | 0 | 0 | 110.5 | ||||
| 122 | S | 28.2 | Very low | 29.4 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -65.3 | 132.3 | -177.3 | 145.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 123 | L | 26.6 | Very low | 29.6 | Very low | 173 Ų | 173 | 142.9 Ų | 142.9 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -153.6 | 125.5 | 140 | -78 | -179.2 | 0 | 0 | 0 | 109.5 | ||||
| 124 | S | 29.4 | Very low | 29.7 | Very low | 106 Ų | 106 | 144.5 Ų | 144.5 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -87.2 | -171.6 | 172 | -45.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 125 | P | 39.2 | Very low | 29.8 | Very low | 114 Ų | 114 | 147.9 Ų | 147.9 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | -128 | 144.2 | -71.8 | 35.1 | -18.6 | 0 | 0 | 0 | 112.1 | |||||
| 126 | E | 25.6 | Very low | 30.2 | Very low | 186 Ų | 186 | 146.7 Ų | 146.7 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -154 | 136.2 | 153.7 | -144 | 149.2 | 146.8 | 0 | 0 | 111.9 | ||||
| 127 | P | 30.7 | Very low | 30.7 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | trans | -91.6 | 131.8 | -162.6 | 34.4 | -29.1 | 0 | 0 | 0 | 111.5 | ||||
| 128 | V | 27.6 | Very low | 31.2 | Very low | 140 Ų | 140 | 153 Ų | 153 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | trans | -110.1 | 129.2 | 165.6 | -169 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 129 | P | 31.6 | Very low | 31.5 | Very low | 110 Ų | 110 | 150.6 Ų | 150.6 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | trans | -73.6 | 136.1 | -161.8 | -12.3 | 28.3 | 0 | 0 | 0 | 112.5 | E131 | P129-E131 PolarHBondContact O-N 2.75Å; P129-E131 VanDerWaalsContact O-N 3.09Å | ||
| 130 | Q | 28.6 | Very low | 31.8 | Very low | 162 Ų | 162 | 148.9 Ų | 148.9 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | trans | -58.1 | 98 | 163.2 | -167 | 172.9 | 7.6 | 0 | 0 | 109.4 | E132 | Q130-E132 HydrophobicContact CG-CB 4.11Å; Q130-E132 PolarHBondContact O-N 2.89Å; Q130-E132 VanDerWaalsContact O-N 3.12Å | ||
| 131 | E | 35 | Very low | 32.8 | Very low | 183 Ų | 183 | 149 Ų | 149 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -81.1 | 50.3 | 162.5 | -70.1 | -161.5 | 142.9 | 0 | 0 | 110.4 | P129 | P129-E131 PolarHBondContact O-N 2.75Å; P129-E131 VanDerWaalsContact O-N 3.09Å | ||
| 132 | E | 38.5 | Very low | 34.2 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -118.4 | 61.9 | 163.4 | -80.9 | -168.8 | 137.9 | 0 | 0 | 108.3 | Q130 | Q130-E132 HydrophobicContact CG-CB 4.11Å; Q130-E132 PolarHBondContact O-N 2.89Å; Q130-E132 VanDerWaalsContact O-N 3.12Å | ||
| 133 | E | 35.2 | Very low | 36.1 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -166.4 | 66.8 | 164.9 | -114.8 | -176.6 | 170.5 | 0 | 0 | 109.5 | ||||
| 134 | K | 28 | Very low | 38.8 | Very low | 196 Ų | 196 | 138.4 Ų | 138.4 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | trans | -142.9 | 46.3 | 173.4 | -120.2 | 179.4 | -169.9 | 175.5 | 0 | 113.7 | ||||
| 135 | L | 30.2 | Very low | 41.8 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 91% | 0.911 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -130.4 | 1.3 | 157.7 | -94.1 | 158.7 | 0 | 0 | 0 | 113.3 | ||
| 136 | S | 35.8 | Very low | 44.4 | Very low | 88 Ų | 88 | 134.2 Ų | 134.2 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -85.6 | -6.9 | -170.4 | -14.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 137 | Q | 36.6 | Very low | 47.7 | Very low | 184 Ų | 184 | 126.6 Ų | 126.6 | 86% | 0.86 | 68% | 0.681 | S | S | * | * | trans | -149.2 | 63.9 | -173.9 | -67.5 | -176.3 | -3.1 | 0 | 0 | 113 | ||||
| 138 | R | 37.3 | Very low | 50.9 | Low | 228 Ų | 228 | 122.4 Ų | 122.4 | 86% | 0.86 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -122.2 | 106.2 | 162.4 | -154.1 | 170.9 | -175.2 | 178.9 | 0.2 | 108.7 | ||
| 139 | N | 35.3 | Very low | 54.1 | Low | 143 Ų | 143 | 115.9 Ų | 115.9 | 77% | 0.765 | 62% | 0.617 | S | S | * | * | trans | 79.2 | 56.7 | -179.9 | -50.9 | -23.4 | 0 | 0 | 0 | 115.8 | N141 | N139-N141 PolarHBondContact O-N 3.29Š| ||
| 140 | A | 36.5 | Very low | 57.1 | Low | 90 Ų | 90 | 116.2 Ų | 116.2 | 74% | 0.744 | 60% | 0.604 | S | S | * | * | trans | -72.5 | 83.8 | 158.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | P142 | A140-P142 VanDerWaalsContact O-CD 3.3Å; A140-P142 WeakPolarHBondContact O-CD 3.48Å | ||
| 141 | N | 45.8 | Very low | 60.3 | Low | 100 Ų | 100 | 108.6 Ų | 108.6 | 54% | 0.535 | 57% | 0.568 | S | S | . | * | trans | -57.4 | 121.7 | 153.1 | -88.5 | -12 | 0 | 0 | 0 | 106.2 | N139 G143 I144 | N139-N141 PolarHBondContact O-N 3.29Å; N141-G143 PolarHBondContact O-N 2.82Å; N141-I144 HydrophobicContact CB-CD1 3.73Å; N141-I144 HydrophobicContact CB-CG1 3.9Å; N141-I144 PolarHBondContact O-N 3.26Å; N141-I144 VanDerWaalsContact O-N 3.15Å | ||
| 142 | P | 57 | Low | 63 | Low | 142 Ų | 142 | 100.5 Ų | 100.5 | 92% | 0.922 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | -6.3 | -176.5 | -26.1 | 34.9 | 0 | 0 | 0 | 115.2 | A140 | A140-P142 VanDerWaalsContact O-CD 3.3Å; A140-P142 WeakPolarHBondContact O-CD 3.48Å |
| 143 | G | 66.7 | Low | 65.5 | Low | 63 Ų | 63 | 93.4 Ų | 93.4 | 65% | 0.649 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.9 | -8.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | N141 | N141-G143 PolarHBondContact O-N 2.82Š|
| 144 | I | 84.2 | Confident | 68.3 | Low | 52 Ų | 52 | 89 Ų | 89 | 27% | 0.267 | 48% | 0.476 | S | S | . | . | trans | -96.5 | 120.8 | -176 | -53.6 | 173.3 | 0 | 0 | 0 | 109.8 | N141 Q202 E204 | N141-I144 HydrophobicContact CB-CD1 3.73Å; N141-I144 HydrophobicContact CB-CG1 3.9Å; N141-I144 PolarHBondContact O-N 3.26Å; N141-I144 VanDerWaalsContact O-N 3.15Å; I144-Q202 HydrophobicContact CG2-CB 4.49Å; I144-E204 HydrophobicContact CD1-CG 4.31Å; I144-E204 WeakPolarHBondContact CD1-OE1 3.43Å; I144-E204 HydrophobicContact CG1-CB 4.26Å; I144-E204 HydrophobicContact CG1-CG 3.88Å; I144-E204 WeakPolarHBondContact CG1-OE1 3.38Å; I144-E204 HydrophobicContact CG2-CB 4.29Å | ||
| 145 | K | 91.8 | Very high | 71.4 | Confident | 68 Ų | 68 | 80.9 Ų | 80.9 | 30% | 0.296 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 120.1 | 172.3 | -63 | -179.9 | 177.4 | -179.9 | 0 | 109.5 | F147 Q202 L203 S271 E274 | K145-F147 HydrophobicContact CB-CE2 3.81Å; K145-F147 HydrophobicContact CB-CZ 4.05Å; K145-Q202 CarbonylContact O-C 3.57Å; K145-Q202 WeakPolarHBondContact O-CA 3.32Å; K145-L203 HydrophobicContact CB-CB 4.38Å; K145-L203 PolarHBondContact N-O 3.35Å; K145-L203 PolarHBondContact O-N 2.63Å; K145-S271 VanDerWaalsContact CD-OG 3.25Å; K145-S271 WeakPolarHBondContact CD-OG 3.38Å; K145-S271 PolarHBondContact NZ-OG 2.78Å; K145-S271 VanDerWaalsContact NZ-OG 3.09Å; K145-E274 IonicContact NZ-OE2 2.68Å; K145-E274 PolarHBondContact NZ-OE2 3.28Å |
| 146 | C | 94.3 | Very high | 74.4 | Confident | 64 Ų | 64 | 78 Ų | 78 | 43% | 0.432 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 135 | -176 | -172 | 0 | 0 | 0 | 0 | 111 | L201 Q202 | C146-L201 CarbonylContact C-O 3.42Å; C146-L201 WeakPolarHBondContact CA-O 2.82Å; C146-Q202 HydrophobicContact CB-CG 4.13Å |
| 147 | F | 96.1 | Very high | 77.1 | Confident | 27 Ų | 27 | 74.2 Ų | 74.2 | 12% | 0.118 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 127.9 | -177.4 | -54.2 | -86.3 | 0 | 0 | 0 | 110.3 | K145 V149 L201 L203 N267 I268 | K145-F147 HydrophobicContact CB-CE2 3.81Å; K145-F147 HydrophobicContact CB-CZ 4.05Å; F147-V149 HydrophobicContact CB-CG1 4.26Å; F147-V149 PolarHBondContact O-N 2.8Å; F147-L201 HydrophobicContact CB-CB 4.45Å; F147-L201 HydrophobicContact CD2-CD2 4.04Å; F147-L201 WeakPolarHBondContact CD2-O 3.42Å; F147-L201 PolarHBondContact N-O 3.06Å; F147-L201 PolarHBondContact O-N 2.76Å; F147-L203 HydrophobicContact CE2-CD1 3.99Å; F147-L203 HydrophobicContact CE2-CG 4.29Å; F147-N267 HydrophobicContact CE1-CB 3.95Å; F147-I268 HydrophobicContact CB-CD1 3.89Å; F147-I268 HydrophobicContact CB-CG1 4.11Å; F147-I268 HydrophobicContact CD1-CD1 4.36Å; F147-I268 HydrophobicContact CD1-CG1 3.67Å; F147-I268 HydrophobicContact CD2-CD1 4.32Å; F147-I268 HydrophobicContact CD2-CG1 3.83Å; F147-I268 HydrophobicContact CE1-CG1 3.98Å; F147-I268 HydrophobicContact CE2-CG1 4.13Å; F147-I268 HydrophobicContact CG-CD1 3.94Å; F147-I268 HydrophobicContact CG-CG1 3.59Å; F147-I268 HydrophobicContact CZ-CG1 4.2Å |
| 148 | A | 96 | Very high | 79.7 | Confident | 32 Ų | 32 | 68.4 Ų | 68.4 | 26% | 0.264 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 123.2 | 171 | 0 | 0 | 0 | 0 | 0 | 109.9 | L200 E262 | A148-L200 HydrophobicContact CB-CD2 4.48Å; A148-E262 HydrophobicContact CB-CB 4.28Å; A148-E262 HydrophobicContact CB-CG 3.98Å; A148-E262 WeakPolarHBondContact CB-OE2 3.45Å; A148-E262 PolarHBondContact O-N 2.76Å; A148-E262 VanDerWaalsContact O-N 3.08Å |
| 149 | V | 96.1 | Very high | 82.1 | Confident | 4 Ų | 4 | 61.5 Ų | 61.5 | 2% | 0.024 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 153 | -175.9 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | F147 L199 L201 F259 R260 C261 I268 | F147-V149 HydrophobicContact CB-CG1 4.26Å; F147-V149 PolarHBondContact O-N 2.8Å; V149-L199 HydrophobicContact CG2-CB 4.04Å; V149-L199 PolarHBondContact N-O 2.85Å; V149-L199 PolarHBondContact O-N 2.9Å; V149-L201 HydrophobicContact CG1-CB 4.09Å; V149-L201 HydrophobicContact CG2-CB 3.87Å; V149-F259 HydrophobicContact CB-CB 4.11Å; V149-F259 HydrophobicContact CG2-CB 4.36Å; V149-F259 HydrophobicContact CG2-CD1 3.93Å; V149-F259 HydrophobicContact CG2-CG 4.41Å; V149-R260 CarbonylContact C-O 3.46Å; V149-R260 VanDerWaalsContact CA-O 3.32Å; V149-R260 WeakPolarHBondContact CA-O 3.25Å; V149-C261 HydrophobicContact CG1-CB 4.26Å; V149-I268 HydrophobicContact CG1-CD1 4.01Å |
| 150 | R | 94.4 | Very high | 84.5 | Confident | 117 Ų | 117 | 60.4 Ų | 60.4 | 44% | 0.442 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 124.9 | 169.9 | -179.4 | 171.3 | -66.2 | 176.5 | -2.1 | 109.5 | L152 K197 D198 F259 R260 | R150-L152 PolarHBondContact O-N 3.42Å; R150-K197 CarbonylContact C-O 3.54Å; R150-K197 WeakPolarHBondContact CA-O 3.45Å; R150-D198 IonicContact CZ-OD1 2.82Å; R150-D198 VanDerWaalsContact CZ-OD1 3.28Å; R150-D198 IonicContact CZ-OD2 3.7Å; R150-D198 IonicContact NE-OD1 2.68Å; R150-D198 PolarHBondContact NE-OD1 2.92Å; R150-D198 IonicContact NE-OD2 3.18Å; R150-D198 IonicContact NH2-OD1 2.68Å; R150-D198 PolarHBondContact NH2-OD1 2.92Å; R150-D198 IonicContact NH2-OD2 3.77Å; R150-D198 PolarHBondContact NH2-OD2 3.16Å; R150-F259 CarbonylContact O-C 3.51Å; R150-F259 VanDerWaalsContact O-CA 3.31Å; R150-F259 WeakPolarHBondContact O-CA 3.41Å; R150-R260 HydrophobicContact CB-CB 4.49Å; R150-R260 PolarHBondContact N-O 3.46Å; R150-R260 PolarHBondContact O-N 3.44Å |
| 151 | S | 94.8 | Very high | 86.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.007 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 129 | 174.6 | -175.9 | 0 | 0 | 0 | 0 | 110.2 | G153 W193 G194 G196 K197 | S151-G153 PolarHBondContact OG-N 3.32Å; S151-W193 VanDerWaalsContact CB-O 3.3Å; S151-W193 WeakPolarHBondContact CB-O 3.29Å; S151-W193 PolarHBondContact OG-O 3.44Å; S151-G194 WeakPolarHBondContact CB-O 3.33Å; S151-G194 PolarHBondContact OG-O 2.84Å; S151-G196 PolarHBondContact O-N 2.79Å; S151-K197 PolarHBondContact N-O 3.11Å |
| 152 | L | 92.1 | Very high | 88.8 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.073 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 6 | 171.3 | -57.9 | -173.9 | 0 | 0 | 0 | 111.8 | R150 L178 V258 R260 | R150-L152 PolarHBondContact O-N 3.42Å; L152-L178 HydrophobicContact CB-CB 4.17Å; L152-V258 HydrophobicContact CB-CB 4.29Å; L152-V258 HydrophobicContact CB-CG1 4.28Å; L152-V258 HydrophobicContact CD1-CG1 3.97Å; L152-V258 HydrophobicContact CG-CG1 4.49Å; L152-V258 PolarHBondContact N-O 2.88Å; L152-R260 HydrophobicContact CD1-CB 4.19Å; L152-R260 HydrophobicContact CD2-CB 4.14Å; L152-R260 HydrophobicContact CG-CB 4.2Å |
| 153 | G | 92.1 | Very high | 90 | Very high | 8 Ų | 8 | 50.5 Ų | 50.5 | 8% | 0.082 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 93.1 | -157.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S151 V258 | S151-G153 PolarHBondContact OG-N 3.32Å; G153-V258 PolarHBondContact O-N 2.89Å |
| 154 | W | 93.4 | Very high | 90.7 | Very high | 74 Ų | 74 | 53.9 Ų | 53.9 | 28% | 0.28 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 155.8 | -175 | 61.2 | -89 | 0 | 0 | 0 | 112.6 | E156 D187 K255 C256 H257 | W154-E156 HydrophobicContact CZ3-CB 4.31Å; W154-D187 WeakPolarHBondContact CZ2-OD2 3.17Å; W154-D187 PolarHBondContact NE1-OD2 2.77Å; W154-K255 HydrophobicContact CD2-CD 4.04Å; W154-K255 HydrophobicContact CD2-CG 4.3Å; W154-K255 HydrophobicContact CE3-CB 4.24Å; W154-K255 HydrophobicContact CE3-CD 3.93Å; W154-K255 HydrophobicContact CE3-CG 3.75Å; W154-K255 HydrophobicContact CZ3-CD 4.24Å; W154-K255 HydrophobicContact CZ3-CG 4.08Å; W154-C256 CarbonylContact C-O 3.54Å; W154-C256 WeakPolarHBondContact CA-O 3.42Å; W154-C256 WeakPolarHBondContact CB-O 3.39Å; W154-H257 WeakPolarHBondContact CB-ND1 3.34Å |
| 155 | V | 93 | Very high | 90.4 | Very high | 26 Ų | 26 | 54.7 Ų | 54.7 | 16% | 0.158 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 138 | 174 | -176.2 | 0 | 0 | 0 | 0 | 108.8 | M157 C174 L178 C256 | V155-M157 HydrophobicContact CG1-SD 4.4Å; V155-C174 HydrophobicContact CG2-CB 4.46Å; V155-L178 HydrophobicContact CG2-CD1 3.78Å; V155-L178 HydrophobicContact CG2-CD2 3.99Å; V155-L178 HydrophobicContact CG2-CG 3.77Å; V155-C256 PolarHBondContact N-O 2.79Å; V155-C256 PolarHBondContact O-N 2.8Å |
| 156 | E | 94 | Very high | 90 | Very high | 112 Ų | 112 | 59.3 Ų | 59.3 | 52% | 0.523 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 136.2 | 171.1 | 179.9 | 175 | -167.2 | 0 | 0 | 110.4 | W154 M253 L254 | W154-E156 HydrophobicContact CZ3-CB 4.31Å; E156-M253 HydrophobicContact CB-CE 4.17Å; E156-M253 HydrophobicContact CG-CE 3.76Å; E156-M253 VanDerWaalsContact OE1-CE 3.24Å; E156-M253 WeakPolarHBondContact OE1-CE 3.38Å; E156-M253 WeakPolarHBondContact OE2-CE 3.47Å; E156-L254 WeakPolarHBondContact CA-O 3.17Å |
| 157 | M | 91.1 | Very high | 89.8 | Confident | 10 Ų | 10 | 57.3 Ų | 57.3 | 5% | 0.049 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 151.4 | 179.9 | -55.6 | -55.8 | -62.7 | 0 | 0 | 110.5 | V155 E161 A170 C174 V245 L254 C256 | V155-M157 HydrophobicContact CG1-SD 4.4Å; M157-E161 WeakPolarHBondContact CA-OE2 3.46Å; M157-E161 HydrophobicContact CE-CB 4.05Å; M157-E161 VanDerWaalsContact CE-OE2 3.3Å; M157-E161 WeakPolarHBondContact CE-OE2 3.29Å; M157-A170 HydrophobicContact CE-CB 3.66Å; M157-C174 PolarHBondContact SD-SG 2.93Å; M157-V245 HydrophobicContact CG-CG1 4.35Å; M157-L254 HydrophobicContact CB-CB 4.03Å; M157-L254 PolarHBondContact N-O 2.79Å; M157-L254 WeakPolarHBondContact O-CB 3.28Å; M157-C256 HydrophobicContact CG-CB 3.65Å; M157-C256 HydrophobicContact SD-CB 3.82Å |
| 158 | T | 91.6 | Very high | 89.4 | Confident | 62 Ų | 62 | 58.9 Ų | 58.9 | 38% | 0.38 | 32% | 0.319 | S | S | . | . | trans | -96.5 | 163.5 | 168.7 | 85.1 | 0 | 0 | 0 | 0 | 111.8 | E160 E161 L162 | T158-E160 VanDerWaalsContact C-N 3.27Å; T158-E160 WeakPolarHBondContact CB-OE2 3.36Å; T158-E160 PolarHBondContact O-N 3.49Å; T158-E160 PolarHBondContact OG1-N 2.96Å; T158-E160 PolarHBondContact OG1-OE2 3.15Å; T158-E161 PolarHBondContact N-OE2 3.42Å; T158-E161 PolarHBondContact O-N 2.96Å; T158-L162 PolarHBondContact O-N 2.78Å | ||
| 159 | E | 87.8 | Confident | 89.1 | Confident | 82 Ų | 82 | 61.4 Ų | 61.4 | 38% | 0.383 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -31.5 | 179 | -172.1 | 69.7 | -152.4 | 0 | 0 | 111.2 | E161 L162 A163 R228 R247 L254 | E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 2.89Å; E159-L162 PolarHBondContact O-N 3.15Å; E159-A163 PolarHBondContact O-N 3.04Å; E159-R228 IonicContact OE1-CZ 3.28Å; E159-R228 IonicContact OE1-NH1 3.39Å; E159-R228 PolarHBondContact OE1-NH1 3.17Å; E159-R228 IonicContact OE1-NH2 2.73Å; E159-R228 PolarHBondContact OE1-NH2 2.81Å; E159-R228 IonicContact OE2-CZ 3.99Å; E159-R228 IonicContact OE2-NH1 2.61Å; E159-R228 PolarHBondContact OE2-NH1 2.91Å; E159-R228 IonicContact OE2-NH2 2.96Å; E159-R247 IonicContact OE2-NH2 3.86Å; E159-L254 HydrophobicContact CB-CD1 4.45Å |
| 160 | E | 86.3 | Confident | 88.9 | Confident | 120 Ų | 120 | 61.7 Ų | 61.7 | 56% | 0.561 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -33.6 | 178.5 | -57.4 | 70.6 | -147.9 | 0 | 0 | 112.4 | T158 L162 A163 | T158-E160 VanDerWaalsContact C-N 3.27Å; T158-E160 WeakPolarHBondContact CB-OE2 3.36Å; T158-E160 PolarHBondContact O-N 3.49Å; T158-E160 PolarHBondContact OG1-N 2.96Å; T158-E160 PolarHBondContact OG1-OE2 3.15Å; E160-L162 VanDerWaalsContact C-N 3.32Å; E160-A163 VanDerWaalsContact O-CB 3.26Å; E160-A163 WeakPolarHBondContact O-CB 3.35Å; E160-A163 PolarHBondContact O-N 2.8Å |
| 161 | E | 84.8 | Confident | 88.9 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 38% | 0.379 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -28.7 | 176.5 | -67.4 | 176.5 | 141.5 | 0 | 0 | 112.1 | M157 T158 E159 A163 R166 S167 A170 | M157-E161 WeakPolarHBondContact CA-OE2 3.46Å; M157-E161 HydrophobicContact CE-CB 4.05Å; M157-E161 VanDerWaalsContact CE-OE2 3.3Å; M157-E161 WeakPolarHBondContact CE-OE2 3.29Å; T158-E161 PolarHBondContact N-OE2 3.42Å; T158-E161 PolarHBondContact O-N 2.96Å; E159-E161 VanDerWaalsContact C-N 3.34Å; E159-E161 PolarHBondContact O-N 2.89Å; E161-A163 VanDerWaalsContact C-N 3.28Å; E161-R166 CarbonylContact O-C 3.52Å; E161-S167 VanDerWaalsContact O-CA 3.27Å; E161-S167 WeakPolarHBondContact O-CA 3.47Å; E161-S167 PolarHBondContact O-N 2.77Å; E161-A170 HydrophobicContact CB-CB 4.1Å |
| 162 | L | 86.9 | Confident | 88.7 | Confident | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.058 | 32% | 0.318 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.5 | 176.6 | -58.9 | -176.8 | 0 | 0 | 0 | 113.5 | T158 E159 E160 R228 V229 V245 L254 | T158-L162 PolarHBondContact O-N 2.78Å; E159-L162 PolarHBondContact O-N 3.15Å; E160-L162 VanDerWaalsContact C-N 3.32Å; L162-R228 HydrophobicContact CD1-CB 4.38Å; L162-V229 HydrophobicContact CD2-CG2 4.23Å; L162-V245 HydrophobicContact CD1-CG1 3.66Å; L162-V245 HydrophobicContact CD2-CB 4.34Å; L162-V245 HydrophobicContact CD2-CG1 4Å; L162-V245 HydrophobicContact CD2-CG2 4.08Å; L162-V245 HydrophobicContact CG-CG1 4.47Å; L162-L254 HydrophobicContact CD1-CB 4.38Å; L162-L254 HydrophobicContact CD1-CD1 3.66Å; L162-L254 HydrophobicContact CD1-CD2 3.89Å; L162-L254 HydrophobicContact CD1-CG 4.18Å |
| 163 | A | 81.9 | Confident | 88.7 | Confident | 32 Ų | 32 | 60 Ų | 60 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -58.6 | 147.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E159 E160 E161 G165 R166 S167 | E159-A163 PolarHBondContact O-N 3.04Å; E160-A163 VanDerWaalsContact O-CB 3.26Å; E160-A163 WeakPolarHBondContact O-CB 3.35Å; E160-A163 PolarHBondContact O-N 2.8Å; E161-A163 VanDerWaalsContact C-N 3.28Å; A163-G165 PolarHBondContact O-N 3.28Å; A163-R166 PolarHBondContact O-N 3.4Å; A163-S167 PolarHBondContact O-N 2.98Å; A163-S167 VanDerWaalsContact O-N 3.1Å |
| 164 | P | 81.3 | Confident | 88.8 | Confident | 134 Ų | 134 | 59.8 Ų | 59.8 | 87% | 0.87 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | 131.5 | 175.5 | -25.8 | 34.6 | 0 | 0 | 0 | 111.9 | R166 | P164-R166 VanDerWaalsContact C-N 3.3Å; P164-R166 PolarHBondContact O-N 2.83Å |
| 165 | G | 79.4 | Confident | 88.7 | Confident | 70 Ų | 70 | 56.3 Ų | 56.3 | 72% | 0.722 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -16.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | A163 | A163-G165 PolarHBondContact O-N 3.28Š|
| 166 | R | 83.5 | Confident | 88.6 | Confident | 165 Ų | 165 | 59.9 Ų | 59.9 | 62% | 0.623 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | -33.4 | 175.3 | -64.4 | -175.1 | 176.7 | 179.4 | -1.6 | 112.9 | E161 A163 P164 S168 V169 A170 | E161-R166 CarbonylContact O-C 3.52Å; A163-R166 PolarHBondContact O-N 3.4Å; P164-R166 VanDerWaalsContact C-N 3.3Å; P164-R166 PolarHBondContact O-N 2.83Å; R166-S168 VanDerWaalsContact C-N 3.31Å; R166-S168 PolarHBondContact O-N 3.3Å; R166-V169 WeakPolarHBondContact O-CB 3.25Å; R166-V169 PolarHBondContact O-N 2.87Å; R166-A170 PolarHBondContact O-N 3.41Å |
| 167 | S | 89.3 | Confident | 88.5 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 15% | 0.154 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.3 | -38.1 | -174.1 | 61.5 | 0 | 0 | 0 | 0 | 115 | E161 A163 V169 A170 V171 | E161-S167 VanDerWaalsContact O-CA 3.27Å; E161-S167 WeakPolarHBondContact O-CA 3.47Å; E161-S167 PolarHBondContact O-N 2.77Å; A163-S167 PolarHBondContact O-N 2.98Å; A163-S167 VanDerWaalsContact O-N 3.1Å; S167-V169 VanDerWaalsContact C-N 3.33Å; S167-V169 PolarHBondContact O-N 2.89Å; S167-A170 PolarHBondContact O-N 3.45Å; S167-V171 WeakPolarHBondContact O-CB 3.24Å; S167-V171 VanDerWaalsContact O-CG2 3.3Å; S167-V171 WeakPolarHBondContact O-CG2 3.48Å; S167-V171 PolarHBondContact O-N 3.06Å |
| 168 | S | 88.4 | Confident | 88.3 | Confident | 59 Ų | 59 | 59.9 Ų | 59.9 | 41% | 0.413 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -67.2 | -34.3 | 177.9 | 59.2 | 0 | 0 | 0 | 0 | 113 | R166 N172 | R166-S168 VanDerWaalsContact C-N 3.31Å; R166-S168 PolarHBondContact O-N 3.3Å; S168-N172 WeakPolarHBondContact O-CB 3.49Å; S168-N172 PolarHBondContact O-N 3.22Å |
| 169 | V | 89.3 | Confident | 87.9 | Confident | 85 Ų | 85 | 58.1 Ų | 58.1 | 52% | 0.515 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.2 | -46 | 177 | 179.1 | 0 | 0 | 0 | 0 | 109.1 | R166 S167 N172 N173 | R166-V169 WeakPolarHBondContact O-CB 3.25Å; R166-V169 PolarHBondContact O-N 2.87Å; S167-V169 VanDerWaalsContact C-N 3.33Å; S167-V169 PolarHBondContact O-N 2.89Å; V169-N172 PolarHBondContact O-N 3.31Å; V169-N173 WeakPolarHBondContact O-CB 3.28Å; V169-N173 VanDerWaalsContact O-CG 3.27Å; V169-N173 PolarHBondContact O-N 2.9Å |
| 170 | A | 91.8 | Very high | 87.3 | Confident | 11 Ų | 11 | 62.8 Ų | 62.8 | 9% | 0.091 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57.9 | -50.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.9 | M157 E161 R166 S167 N172 N173 C174 | M157-A170 HydrophobicContact CE-CB 3.66Å; E161-A170 HydrophobicContact CB-CB 4.1Å; R166-A170 PolarHBondContact O-N 3.41Å; S167-A170 PolarHBondContact O-N 3.45Å; A170-N172 VanDerWaalsContact C-N 3.33Å; A170-N172 PolarHBondContact O-N 3.39Å; A170-N173 WeakPolarHBondContact O-CB 3.1Å; A170-N173 PolarHBondContact O-N 3.36Å; A170-N173 VanDerWaalsContact O-N 3.15Å; A170-C174 PolarHBondContact O-N 3.11Å; A170-C174 PolarHBondContact O-SG 3.48Å |
| 171 | V | 93.4 | Very high | 86.3 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.024 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 112 | S167 N173 C174 I175 V229 A243 V245 | S167-V171 WeakPolarHBondContact O-CB 3.24Å; S167-V171 VanDerWaalsContact O-CG2 3.3Å; S167-V171 WeakPolarHBondContact O-CG2 3.48Å; S167-V171 PolarHBondContact O-N 3.06Å; V171-N173 VanDerWaalsContact C-N 3.34Å; V171-C174 PolarHBondContact O-N 3.19Å; V171-I175 HydrophobicContact CG1-CD1 4.27Å; V171-I175 WeakPolarHBondContact O-CG1 3.31Å; V171-I175 PolarHBondContact O-N 2.86Å; V171-I175 VanDerWaalsContact O-N 3.08Å; V171-V229 HydrophobicContact CG2-CB 4.46Å; V171-V229 HydrophobicContact CG2-CG1 3.88Å; V171-A243 HydrophobicContact CG1-CB 3.76Å; V171-V245 HydrophobicContact CG2-CG2 3.88Å |
| 172 | N | 92 | Very high | 85.1 | Confident | 15 Ų | 15 | 66.1 Ų | 66.1 | 8% | 0.08 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.5 | -40.2 | 177.8 | -161.2 | -62.9 | 0 | 0 | 0 | 111.2 | S168 V169 A170 C174 I175 R176 | S168-N172 WeakPolarHBondContact O-CB 3.49Å; S168-N172 PolarHBondContact O-N 3.22Å; V169-N172 PolarHBondContact O-N 3.31Å; A170-N172 VanDerWaalsContact C-N 3.33Å; A170-N172 PolarHBondContact O-N 3.39Å; N172-C174 PolarHBondContact O-N 3.37Å; N172-I175 WeakPolarHBondContact O-CB 3.39Å; N172-I175 PolarHBondContact O-N 3.17Å; N172-I175 VanDerWaalsContact O-N 3.16Å; N172-R176 WeakPolarHBondContact O-CG 3.38Å; N172-R176 PolarHBondContact O-N 2.85Å; N172-R176 PolarHBondContact OD1-NE 3.41Å |
| 173 | N | 92.3 | Very high | 83.5 | Confident | 76 Ų | 76 | 69.7 Ų | 69.7 | 41% | 0.406 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 173.7 | -72.4 | -14.3 | 0 | 0 | 0 | 112 | V169 A170 V171 I175 R176 Q177 | V169-N173 WeakPolarHBondContact O-CB 3.28Å; V169-N173 VanDerWaalsContact O-CG 3.27Å; V169-N173 PolarHBondContact O-N 2.9Å; A170-N173 WeakPolarHBondContact O-CB 3.1Å; A170-N173 PolarHBondContact O-N 3.36Å; A170-N173 VanDerWaalsContact O-N 3.15Å; V171-N173 VanDerWaalsContact C-N 3.34Å; N173-I175 VanDerWaalsContact C-N 3.33Å; N173-I175 PolarHBondContact O-N 3.08Å; N173-R176 WeakPolarHBondContact O-CB 3.34Å; N173-R176 PolarHBondContact O-N 3.21Å; N173-R176 VanDerWaalsContact O-N 3.15Å; N173-Q177 WeakPolarHBondContact O-CB 3.39Å; N173-Q177 PolarHBondContact O-N 3.01Å |
| 174 | C | 93.1 | Very high | 82 | Confident | 4 Ų | 4 | 75.1 Ų | 75.1 | 3% | 0.027 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.9 | -43.5 | 173.9 | -55.9 | 0 | 0 | 0 | 0 | 112 | V155 M157 A170 V171 N172 R176 Q177 L178 C256 V258 | V155-C174 HydrophobicContact CG2-CB 4.46Å; M157-C174 PolarHBondContact SD-SG 2.93Å; A170-C174 PolarHBondContact O-N 3.11Å; A170-C174 PolarHBondContact O-SG 3.48Å; V171-C174 PolarHBondContact O-N 3.19Å; N172-C174 PolarHBondContact O-N 3.37Å; C174-R176 VanDerWaalsContact C-N 3.31Å; C174-R176 PolarHBondContact O-N 3.28Å; C174-Q177 PolarHBondContact O-N 2.87Å; C174-L178 PolarHBondContact O-N 3.43Å; C174-C256 HydrophobicContact CB-CB 4.2Å; C174-C256 WeakPolarHBondContact CB-SG 3.41Å; C174-C256 VanDerWaalsContact SG-SG 3.62Å; C174-V258 HydrophobicContact CB-CG2 4.28Å |
| 175 | I | 92.5 | Very high | 80.5 | Confident | 1 Ų | 1 | 76 Ų | 76 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60 | -43.6 | 175.4 | -67.9 | 169.4 | 0 | 0 | 0 | 110.2 | V171 N172 N173 S179 R238 D241 A243 V258 | V171-I175 HydrophobicContact CG1-CD1 4.27Å; V171-I175 WeakPolarHBondContact O-CG1 3.31Å; V171-I175 PolarHBondContact O-N 2.86Å; V171-I175 VanDerWaalsContact O-N 3.08Å; N172-I175 WeakPolarHBondContact O-CB 3.39Å; N172-I175 PolarHBondContact O-N 3.17Å; N172-I175 VanDerWaalsContact O-N 3.16Å; N173-I175 VanDerWaalsContact C-N 3.33Å; N173-I175 PolarHBondContact O-N 3.08Å; I175-S179 WeakPolarHBondContact O-CB 3.41Å; I175-S179 PolarHBondContact O-N 3.44Å; I175-S179 PolarHBondContact O-OG 2.97Å; I175-R238 HydrophobicContact CG2-CB 4.47Å; I175-D241 HydrophobicContact CG2-CB 3.53Å; I175-A243 HydrophobicContact CD1-CB 3.9Å; I175-A243 HydrophobicContact CG1-CB 3.81Å; I175-V258 HydrophobicContact CG1-CG1 4.04Å; I175-V258 HydrophobicContact CG1-CG2 4.34Å |
| 176 | R | 90.6 | Very high | 79.2 | Confident | 102 Ų | 102 | 80.9 Ų | 80.9 | 39% | 0.385 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 176.6 | -48.8 | -143.4 | 165.2 | 129.6 | -15.1 | 111.2 | N172 N173 C174 S179 Y180 D235 | N172-R176 WeakPolarHBondContact O-CG 3.38Å; N172-R176 PolarHBondContact O-N 2.85Å; N172-R176 PolarHBondContact OD1-NE 3.41Å; N173-R176 WeakPolarHBondContact O-CB 3.34Å; N173-R176 PolarHBondContact O-N 3.21Å; N173-R176 VanDerWaalsContact O-N 3.15Å; C174-R176 VanDerWaalsContact C-N 3.31Å; C174-R176 PolarHBondContact O-N 3.28Å; R176-S179 PolarHBondContact O-N 3.12Å; R176-Y180 VanDerWaalsContact O-CD2 3.29Å; R176-Y180 WeakPolarHBondContact O-CD2 3.3Å; R176-Y180 PolarHBondContact O-N 3.09Å; R176-D235 IonicContact CZ-OD1 4Å; R176-D235 IonicContact CZ-OD2 3.72Å; R176-D235 IonicContact NE-OD1 3.49Å; R176-D235 IonicContact NE-OD2 2.57Å; R176-D235 PolarHBondContact NE-OD2 2.94Å; R176-D235 IonicContact NH2-OD1 2.72Å; R176-D235 PolarHBondContact NH2-OD1 2.85Å; R176-D235 IonicContact NH2-OD2 2.92Å; R176-D235 PolarHBondContact NH2-OD2 3.46Å |
| 177 | Q | 90.3 | Very high | 78 | Confident | 102 Ų | 102 | 75.2 Ų | 75.2 | 48% | 0.477 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.9 | -55.1 | -176.1 | -175.1 | 177.6 | 3 | 0 | 0 | 110.8 | N173 C174 S179 Y180 H181 | N173-Q177 WeakPolarHBondContact O-CB 3.39Å; N173-Q177 PolarHBondContact O-N 3.01Å; C174-Q177 PolarHBondContact O-N 2.87Å; Q177-S179 VanDerWaalsContact C-N 3.29Å; Q177-S179 PolarHBondContact O-N 3.15Å; Q177-Y180 PolarHBondContact O-N 3.46Å; Q177-H181 WeakPolarHBondContact O-CB 3.49Å; Q177-H181 PolarHBondContact O-N 2.9Å |
| 178 | L | 88.5 | Confident | 76.4 | Confident | 20 Ų | 20 | 80.2 Ų | 80.2 | 11% | 0.105 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -76.9 | -12.6 | -176.3 | -65.3 | -179.7 | 0 | 0 | 0 | 114.2 | L152 V155 C174 V258 | L152-L178 HydrophobicContact CB-CB 4.17Å; V155-L178 HydrophobicContact CG2-CD1 3.78Å; V155-L178 HydrophobicContact CG2-CD2 3.99Å; V155-L178 HydrophobicContact CG2-CG 3.77Å; C174-L178 PolarHBondContact O-N 3.43Å; L178-V258 HydrophobicContact CB-CB 4.47Å; L178-V258 HydrophobicContact CD1-CB 3.84Å; L178-V258 HydrophobicContact CD1-CG2 3.65Å |
| 179 | S | 83.1 | Confident | 74.9 | Confident | 25 Ų | 25 | 83.9 Ų | 83.9 | 18% | 0.175 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -78.7 | -31.1 | 175 | -69.1 | 0 | 0 | 0 | 0 | 113.4 | I175 R176 Q177 D241 R260 | I175-S179 WeakPolarHBondContact O-CB 3.41Å; I175-S179 PolarHBondContact O-N 3.44Å; I175-S179 PolarHBondContact O-OG 2.97Å; R176-S179 PolarHBondContact O-N 3.12Å; Q177-S179 VanDerWaalsContact C-N 3.29Å; Q177-S179 PolarHBondContact O-N 3.15Å; S179-D241 PolarHBondContact OG-OD2 2.89Å; S179-D241 VanDerWaalsContact OG-OD2 3.11Å; S179-R260 PolarHBondContact OG-NH2 3.48Å |
| 180 | Y | 73.7 | Confident | 73.6 | Confident | 180 Ų | 180 | 80.3 Ų | 80.3 | 71% | 0.706 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -98.8 | -29.6 | 178.5 | -67.9 | -68.1 | 0 | 0 | 0 | 113.3 | R176 Q177 K182 R238 | R176-Y180 VanDerWaalsContact O-CD2 3.29Å; R176-Y180 WeakPolarHBondContact O-CD2 3.3Å; R176-Y180 PolarHBondContact O-N 3.09Å; Q177-Y180 PolarHBondContact O-N 3.46Å; Y180-K182 PolarHBondContact O-N 3.11Å; Y180-R238 VanDerWaalsContact CZ-NH2 3.28Å; Y180-R238 PolarHBondContact OH-NH2 2.97Å |
| 181 | H | 67.1 | Low | 72 | Confident | 104 Ų | 104 | 82.5 Ų | 82.5 | 48% | 0.481 | 42% | 0.421 | S | S | . | . | trans | -79.1 | 119.6 | 176.5 | -116 | -71.4 | 0 | 0 | 0 | 110.3 | Q177 N183 | Q177-H181 WeakPolarHBondContact O-CB 3.49Å; Q177-H181 PolarHBondContact O-N 2.9Å; H181-N183 PolarHBondContact CE1-OD1 2.82Å; H181-N183 PolarHBondContact ND1-OD1 2.96Å | ||
| 182 | K | 58.4 | Low | 70.6 | Confident | 167 Ų | 167 | 84 Ų | 84 | 73% | 0.726 | 44% | 0.437 | S | S | * | . | trans | -101.4 | 94.8 | 160.1 | -170.7 | 175.4 | -177.1 | 178.9 | 0 | 106.6 | Y180 N184 E195 | Y180-K182 PolarHBondContact O-N 3.11Å; K182-N184 PolarHBondContact O-N 3Å; K182-E195 WeakPolarHBondContact CA-OE1 3.45Å | ||
| 183 | N | 54.5 | Low | 69.8 | Low | 86 Ų | 86 | 84.5 Ų | 84.5 | 46% | 0.46 | 44% | 0.438 | S | S | . | . | trans | -83.6 | 113.1 | 178.5 | -95.5 | -5 | 0 | 0 | 0 | 108.4 | H181 L185 E195 | H181-N183 PolarHBondContact CE1-OD1 2.82Å; H181-N183 PolarHBondContact ND1-OD1 2.96Å; N183-L185 PolarHBondContact O-N 3.3Å; N183-E195 PolarHBondContact N-OE1 3.03Å | ||
| 184 | N | 49 | Very low | 68.8 | Low | 146 Ų | 146 | 81.5 Ų | 81.5 | 78% | 0.781 | 43% | 0.425 | S | S | * | . | trans | -72.8 | 11.7 | 175.1 | -64.8 | -52 | 0 | 0 | 0 | 113.3 | K182 | K182-N184 PolarHBondContact O-N 3Š| ||
| 185 | L | 49.4 | Very low | 68.2 | Low | 151 Ų | 151 | 84.8 Ų | 84.8 | 79% | 0.791 | 44% | 0.44 | S | S | * | . | trans | -91.5 | 109.1 | 174.7 | -95.8 | 83.2 | 0 | 0 | 0 | 109.4 | N183 D187 | N183-L185 PolarHBondContact O-N 3.3Å; L185-D187 PolarHBondContact O-N 3.09Å; L185-D187 VanDerWaalsContact O-N 3.15Å | ||
| 186 | H | 52.8 | Low | 67.6 | Low | 173 Ų | 173 | 87.1 Ų | 87.1 | 80% | 0.801 | 46% | 0.464 | S | S | * | . | trans | -63 | 112.4 | 172.3 | -158.5 | -37.5 | 0 | 0 | 0 | 109.1 | P188 | H186-P188 WeakPolarHBondContact O-CD 3.3Š| ||
| 187 | D | 59 | Low | 67.3 | Low | 47 Ų | 47 | 86.1 Ų | 86.1 | 25% | 0.251 | 46% | 0.462 | S | S | . | . | trans | -66.9 | 114.7 | 171.1 | 179.1 | 5.4 | 0 | 0 | 0 | 108.8 | W154 L185 M189 A190 | W154-D187 WeakPolarHBondContact CZ2-OD2 3.17Å; W154-D187 PolarHBondContact NE1-OD2 2.77Å; L185-D187 PolarHBondContact O-N 3.09Å; L185-D187 VanDerWaalsContact O-N 3.15Å; D187-M189 PolarHBondContact O-N 3.04Å; D187-M189 WeakPolarHBondContact OD1-CB 3.24Å; D187-M189 PolarHBondContact OD1-N 3.02Å; D187-A190 HydrophobicContact CB-CB 3.91Å | ||
| 188 | P | 54.9 | Low | 67.4 | Low | 126 Ų | 126 | 85 Ų | 85 | 82% | 0.818 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.9 | 178.5 | -14.8 | 30.5 | 0 | 0 | 0 | 112.7 | H186 | H186-P188 WeakPolarHBondContact O-CD 3.3Š|
| 189 | M | 56.8 | Low | 67.7 | Low | 136 Ų | 136 | 84.3 Ų | 84.3 | 67% | 0.67 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -3.3 | -175.2 | -71.8 | -89.7 | -75.6 | 0 | 0 | 113.4 | D187 G191 T251 | D187-M189 PolarHBondContact O-N 3.04Å; D187-M189 WeakPolarHBondContact OD1-CB 3.24Å; D187-M189 PolarHBondContact OD1-N 3.02Å; M189-G191 PolarHBondContact O-N 3.3Å; M189-T251 HydrophobicContact CE-CG2 4.42Å |
| 190 | A | 61.6 | Low | 68.3 | Low | 11 Ų | 11 | 84.6 Ų | 84.6 | 9% | 0.091 | 46% | 0.456 | C | S | . | . | S | Bend | trans | -75.1 | 13.5 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D187 G192 W193 | D187-A190 HydrophobicContact CB-CB 3.91Å; A190-G192 PolarHBondContact O-N 3.22Å; A190-W193 VanDerWaalsContact O-CD1 3.31Å; A190-W193 PolarHBondContact O-N 2.97Å; A190-W193 PolarHBondContact O-NE1 3.42Å |
| 191 | G | 58.9 | Low | 69.4 | Low | 56 Ų | 56 | 76 Ų | 76 | 58% | 0.577 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | 24.3 | 169 | 0 | 0 | 0 | 0 | 0 | 115.7 | M189 | M189-G191 PolarHBondContact O-N 3.3Š|
| 192 | G | 64.9 | Low | 70.8 | Confident | 35 Ų | 35 | 72.3 Ų | 72.3 | 36% | 0.361 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77.2 | 15.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116 | A190 K197 | A190-G192 PolarHBondContact O-N 3.22Å; G192-K197 WeakPolarHBondContact O-CD 3.45Å; G192-K197 WeakPolarHBondContact O-CE 3.26Å; G192-K197 PolarHBondContact O-NZ 2.99Å |
| 193 | W | 74.8 | Confident | 72.6 | Confident | 26 Ų | 26 | 64.4 Ų | 64.4 | 10% | 0.098 | 37% | 0.371 | C | S | . | . | trans | -131 | 21.1 | 174.7 | 56.1 | -87.4 | 0 | 0 | 0 | 113.4 | S151 A190 L199 L210 L219 H220 H257 F259 | S151-W193 VanDerWaalsContact CB-O 3.3Å; S151-W193 WeakPolarHBondContact CB-O 3.29Å; S151-W193 PolarHBondContact OG-O 3.44Å; A190-W193 VanDerWaalsContact O-CD1 3.31Å; A190-W193 PolarHBondContact O-N 2.97Å; A190-W193 PolarHBondContact O-NE1 3.42Å; W193-L199 HydrophobicContact CB-CD1 3.9Å; W193-L199 HydrophobicContact CB-CD2 4.19Å; W193-L210 HydrophobicContact CD2-CD1 3.87Å; W193-L210 HydrophobicContact CE3-CD1 3.5Å; W193-L210 VanDerWaalsContact CE3-CD1 3.5Å; W193-L210 HydrophobicContact CG-CD1 4.35Å; W193-L210 HydrophobicContact CZ3-CD1 3.87Å; W193-L219 HydrophobicContact CB-CB 4.31Å; W193-L219 HydrophobicContact CB-CD1 3.98Å; W193-L219 HydrophobicContact CG-CB 4.47Å; W193-H220 HydrophobicContact CD2-CB 4.43Å; W193-H220 HydrophobicContact CZ2-CB 4.28Å; W193-H220 AromaticContact CZ2-CG 3.86Å; W193-H220 AromaticContact CZ2-ND1 3.75Å; W193-H257 AromaticContact CH2-CE1 3.28Å; W193-H257 WeakPolarHBondContact CH2-CE1 3.17Å; W193-H257 AromaticContact CH2-ND1 3.39Å; W193-H257 WeakPolarHBondContact CH2-ND1 3.44Å; W193-H257 AromaticContact CH2-NE2 3.9Å; W193-H257 AromaticContact CZ3-CE1 3.79Å; W193-H257 AromaticContact CZ3-ND1 3.38Å; W193-H257 WeakPolarHBondContact CZ3-ND1 3.33Å; W193-F259 HydrophobicContact CZ3-CZ 4.42Å | ||
| 194 | G | 71.3 | Confident | 74.4 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 13% | 0.134 | 36% | 0.357 | C | S | . | . | trans | -65.1 | -174.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | S151 G196 K197 | S151-G194 WeakPolarHBondContact CB-O 3.33Å; S151-G194 PolarHBondContact OG-O 2.84Å; G194-G196 PolarHBondContact O-N 3.46Å; G194-K197 PolarHBondContact O-N 2.9Å | ||
| 195 | E | 79.3 | Confident | 76.3 | Confident | 73 Ų | 73 | 61.1 Ų | 61.1 | 34% | 0.341 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.9 | 135.3 | -176.1 | -173.1 | -172.4 | 155.1 | 0 | 0 | 112.9 | K182 N183 K197 | K182-E195 WeakPolarHBondContact CA-OE1 3.45Å; N183-E195 PolarHBondContact N-OE1 3.03Å; E195-K197 VanDerWaalsContact C-N 3.35Å; E195-K197 PolarHBondContact O-N 2.79Å |
| 196 | G | 79.8 | Confident | 78.2 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 52% | 0.515 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86 | -5.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | S151 G194 | S151-G196 PolarHBondContact O-N 2.79Å; G194-G196 PolarHBondContact O-N 3.46Å |
| 197 | K | 85.5 | Confident | 80.2 | Confident | 81 Ų | 81 | 51 Ų | 51 | 35% | 0.352 | 30% | 0.303 | S | S | . | . | trans | -83.3 | 132.7 | 179.6 | -70.8 | -167.7 | 170.5 | -145.4 | 0 | 113 | R150 S151 G192 G194 E195 L199 | R150-K197 CarbonylContact C-O 3.54Å; R150-K197 WeakPolarHBondContact CA-O 3.45Å; S151-K197 PolarHBondContact N-O 3.11Å; G192-K197 WeakPolarHBondContact O-CD 3.45Å; G192-K197 WeakPolarHBondContact O-CE 3.26Å; G192-K197 PolarHBondContact O-NZ 2.99Å; G194-K197 PolarHBondContact O-N 2.9Å; E195-K197 VanDerWaalsContact C-N 3.35Å; E195-K197 PolarHBondContact O-N 2.79Å; K197-L199 HydrophobicContact CB-CD2 4.5Å; K197-L199 HydrophobicContact CB-CG 4.45Å | ||
| 198 | D | 91.8 | Very high | 82 | Confident | 79 Ų | 79 | 48.8 Ų | 48.8 | 42% | 0.422 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 130.3 | 170 | -66.2 | -39.2 | 0 | 0 | 0 | 109.9 | R150 P213 | R150-D198 IonicContact CZ-OD1 2.82Å; R150-D198 VanDerWaalsContact CZ-OD1 3.28Å; R150-D198 IonicContact CZ-OD2 3.7Å; R150-D198 IonicContact NE-OD1 2.68Å; R150-D198 PolarHBondContact NE-OD1 2.92Å; R150-D198 IonicContact NE-OD2 3.18Å; R150-D198 IonicContact NH2-OD1 2.68Å; R150-D198 PolarHBondContact NH2-OD1 2.92Å; R150-D198 IonicContact NH2-OD2 3.77Å; R150-D198 PolarHBondContact NH2-OD2 3.16Å; D198-P213 VanDerWaalsContact O-CD 3.27Å; D198-P213 WeakPolarHBondContact O-CD 3.49Å |
| 199 | L | 95.1 | Very high | 84 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 157.4 | -168.6 | -61.4 | 172.8 | 0 | 0 | 0 | 110.5 | V149 W193 K197 L210 L219 F259 | V149-L199 HydrophobicContact CG2-CB 4.04Å; V149-L199 PolarHBondContact N-O 2.85Å; V149-L199 PolarHBondContact O-N 2.9Å; W193-L199 HydrophobicContact CB-CD1 3.9Å; W193-L199 HydrophobicContact CB-CD2 4.19Å; K197-L199 HydrophobicContact CB-CD2 4.5Å; K197-L199 HydrophobicContact CB-CG 4.45Å; L199-L210 HydrophobicContact CD1-CD1 4.32Å; L199-L219 HydrophobicContact CD2-CD1 3.5Å; L199-L219 VanDerWaalsContact CD2-CD1 3.5Å; L199-F259 HydrophobicContact CD1-CE1 4.29Å |
| 200 | L | 95.7 | Very high | 85.8 | Confident | 31 Ų | 31 | 38.1 Ų | 38.1 | 16% | 0.162 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.5 | 164.4 | -63 | 177.1 | 0 | 0 | 0 | 109 | A148 L210 V211 P213 | A148-L200 HydrophobicContact CB-CD2 4.48Å; L200-L210 WeakPolarHBondContact O-CA 3.5Å; L200-V211 HydrophobicContact CB-CB 4.24Å; L200-V211 PolarHBondContact N-O 2.88Å; L200-V211 PolarHBondContact O-N 3.39Å; L200-P213 HydrophobicContact CD1-CB 4.47Å; L200-P213 HydrophobicContact CG-CB 4.26Å; L200-P213 HydrophobicContact CG-CG 4.22Å |
| 201 | L | 97.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 112.9 | 170.3 | -171.5 | 158.7 | 0 | 0 | 0 | 108.4 | C146 F147 V149 L203 L208 K209 L210 F242 I268 | C146-L201 CarbonylContact C-O 3.42Å; C146-L201 WeakPolarHBondContact CA-O 2.82Å; F147-L201 HydrophobicContact CB-CB 4.45Å; F147-L201 HydrophobicContact CD2-CD2 4.04Å; F147-L201 WeakPolarHBondContact CD2-O 3.42Å; F147-L201 PolarHBondContact N-O 3.06Å; F147-L201 PolarHBondContact O-N 2.76Å; V149-L201 HydrophobicContact CG1-CB 4.09Å; V149-L201 HydrophobicContact CG2-CB 3.87Å; L201-L203 HydrophobicContact CD2-CD2 3.87Å; L201-L203 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CD1-CD1 4.21Å; L201-L208 HydrophobicContact CD1-CD2 4.36Å; L201-L208 HydrophobicContact CD1-CG 4.42Å; L201-L208 HydrophobicContact CD2-CD1 4.27Å; L201-L208 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CG-CD1 4.39Å; L201-L208 HydrophobicContact CG-CD2 4.16Å; L201-L208 HydrophobicContact CG-CG 4.12Å; L201-K209 WeakPolarHBondContact CA-O 3.43Å; L201-L210 HydrophobicContact CB-CD2 4.19Å; L201-L210 HydrophobicContact CD1-CD2 4.32Å; L201-L210 HydrophobicContact CG-CD2 4.15Å; L201-F242 HydrophobicContact CD1-CD1 4.22Å; L201-F242 HydrophobicContact CD1-CE1 4.19Å; L201-I268 HydrophobicContact CD1-CD1 4.36Å; L201-I268 HydrophobicContact CD2-CG2 4.08Å |
| 202 | Q | 96.3 | Very high | 89 | Confident | 26 Ų | 26 | 37.9 Ų | 37.9 | 12% | 0.121 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 131.8 | -178.6 | -66.6 | 175.5 | -3.1 | 0 | 0 | 110.3 | I144 K145 C146 L208 K209 | I144-Q202 HydrophobicContact CG2-CB 4.49Å; K145-Q202 CarbonylContact O-C 3.57Å; K145-Q202 WeakPolarHBondContact O-CA 3.32Å; C146-Q202 HydrophobicContact CB-CG 4.13Å; Q202-L208 CarbonylContact O-C 3.59Å; Q202-L208 WeakPolarHBondContact O-CA 3.44Å; Q202-K209 HydrophobicContact CB-CB 4.28Å; Q202-K209 PolarHBondContact N-O 2.99Å; Q202-K209 PolarHBondContact O-N 3.21Å |
| 203 | L | 95.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 106.4 | 170.7 | -56.4 | 178.3 | 0 | 0 | 0 | 107.8 | K145 F147 L201 L208 I224 L272 I275 | K145-L203 HydrophobicContact CB-CB 4.38Å; K145-L203 PolarHBondContact N-O 3.35Å; K145-L203 PolarHBondContact O-N 2.63Å; F147-L203 HydrophobicContact CE2-CD1 3.99Å; F147-L203 HydrophobicContact CE2-CG 4.29Å; L201-L203 HydrophobicContact CD2-CD2 3.87Å; L201-L203 HydrophobicContact CD2-CG 4.09Å; L203-L208 HydrophobicContact CD2-CB 3.95Å; L203-L208 HydrophobicContact CD2-CD1 4.18Å; L203-L208 HydrophobicContact CD2-CG 3.95Å; L203-I224 HydrophobicContact CD2-CD1 4.34Å; L203-L272 HydrophobicContact CD1-CD2 4.12Å; L203-L272 HydrophobicContact CD1-CG 3.98Å; L203-L272 HydrophobicContact CD2-CD2 3.56Å; L203-L272 HydrophobicContact CD2-CG 4.14Å; L203-L272 HydrophobicContact CG-CD2 4.49Å; L203-I275 HydrophobicContact CB-CD1 3.72Å; L203-I275 HydrophobicContact CD1-CD1 4.09Å; L203-I275 HydrophobicContact CG-CD1 4.43Å |
| 204 | E | 92.6 | Very high | 90.8 | Very high | 38 Ų | 38 | 44.2 Ų | 44.2 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 140.8 | -175.4 | -179.3 | -178.5 | -145.4 | 0 | 0 | 109.5 | I144 E206 T207 K209 | I144-E204 HydrophobicContact CD1-CG 4.31Å; I144-E204 WeakPolarHBondContact CD1-OE1 3.43Å; I144-E204 HydrophobicContact CG1-CB 4.26Å; I144-E204 HydrophobicContact CG1-CG 3.88Å; I144-E204 WeakPolarHBondContact CG1-OE1 3.38Å; I144-E204 HydrophobicContact CG2-CB 4.29Å; E204-E206 VanDerWaalsContact C-N 3.3Å; E204-E206 PolarHBondContact O-N 3.01Å; E204-T207 PolarHBondContact N-O 3Å; E204-T207 CarbonylContact O-C 3.59Å; E204-T207 WeakPolarHBondContact O-CA 3.38Å; E204-T207 WeakPolarHBondContact O-CB 3.32Å; E204-T207 PolarHBondContact O-N 2.81Å; E204-K209 IonicContact OE2-NZ 2.77Å; E204-K209 PolarHBondContact OE2-NZ 2.89Å |
| 205 | D | 88.1 | Confident | 91.7 | Very high | 125 Ų | 125 | 47.7 Ų | 47.7 | 67% | 0.668 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.9 | 49.8 | 175.6 | -57 | -32.3 | 0 | 0 | 0 | 113.4 | T207 | D205-T207 PolarHBondContact O-N 3.34Å; D205-T207 PolarHBondContact O-OG1 3.42Å |
| 206 | E | 91.2 | Very high | 92.2 | Very high | 80 Ų | 80 | 49.5 Ų | 49.5 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 22.1 | -179.6 | -52.9 | -172.8 | 163.7 | 0 | 0 | 114.2 | E204 I224 I275 I279 | E204-E206 VanDerWaalsContact C-N 3.3Å; E204-E206 PolarHBondContact O-N 3.01Å; E206-I224 VanDerWaalsContact O-CB 3.25Å; E206-I224 WeakPolarHBondContact O-CB 3.34Å; E206-I224 WeakPolarHBondContact O-CG1 3.33Å; E206-I224 PolarHBondContact O-N 3.27Å; E206-I275 HydrophobicContact CG-CG2 4.5Å; E206-I279 HydrophobicContact CB-CD1 4.02Å; E206-I279 VanDerWaalsContact CD-CG1 3.46Å; E206-I279 HydrophobicContact CG-CD1 3.98Å; E206-I279 HydrophobicContact CG-CG1 4.02Å; E206-I279 VanDerWaalsContact OE1-CG1 3.29Å; E206-I279 WeakPolarHBondContact OE1-CG1 3.45Å |
| 207 | T | 94 | Very high | 92.7 | Very high | 31 Ų | 31 | 49.9 Ų | 49.9 | 19% | 0.19 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 137.2 | -175.8 | -54.1 | 0 | 0 | 0 | 0 | 109.9 | E204 D205 K209 A221 | E204-T207 PolarHBondContact N-O 3Å; E204-T207 CarbonylContact O-C 3.59Å; E204-T207 WeakPolarHBondContact O-CA 3.38Å; E204-T207 WeakPolarHBondContact O-CB 3.32Å; E204-T207 PolarHBondContact O-N 2.81Å; D205-T207 PolarHBondContact O-N 3.34Å; D205-T207 PolarHBondContact O-OG1 3.42Å; T207-K209 HydrophobicContact CG2-CG 4.12Å; T207-A221 HydrophobicContact CG2-CB 4.04Å |
| 208 | L | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 117.2 | 167.7 | -176.4 | 160.4 | 0 | 0 | 0 | 108.1 | L201 Q202 L203 L210 A221 Q222 I224 I227 Y244 | L201-L208 HydrophobicContact CD1-CD1 4.21Å; L201-L208 HydrophobicContact CD1-CD2 4.36Å; L201-L208 HydrophobicContact CD1-CG 4.42Å; L201-L208 HydrophobicContact CD2-CD1 4.27Å; L201-L208 HydrophobicContact CD2-CG 4.09Å; L201-L208 HydrophobicContact CG-CD1 4.39Å; L201-L208 HydrophobicContact CG-CD2 4.16Å; L201-L208 HydrophobicContact CG-CG 4.12Å; Q202-L208 CarbonylContact O-C 3.59Å; Q202-L208 WeakPolarHBondContact O-CA 3.44Å; L203-L208 HydrophobicContact CD2-CB 3.95Å; L203-L208 HydrophobicContact CD2-CD1 4.18Å; L203-L208 HydrophobicContact CD2-CG 3.95Å; L208-L210 HydrophobicContact CD2-CD2 4.06Å; L208-L210 HydrophobicContact CD2-CG 4.28Å; L208-A221 WeakPolarHBondContact O-CA 3.44Å; L208-Q222 HydrophobicContact CB-CB 4.41Å; L208-Q222 PolarHBondContact N-O 3.44Å; L208-Q222 PolarHBondContact O-N 2.82Å; L208-I224 HydrophobicContact CB-CG1 4.45Å; L208-I227 HydrophobicContact CB-CD1 4.45Å; L208-I227 HydrophobicContact CD1-CD1 4.16Å; L208-Y244 HydrophobicContact CD1-CD1 4.08Å; L208-Y244 HydrophobicContact CD1-CE1 4.18Å; L208-Y244 HydrophobicContact CD2-CE1 4.13Å |
| 209 | K | 96 | Very high | 93 | Very high | 39 Ų | 39 | 49.2 Ų | 49.2 | 17% | 0.17 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 138.4 | -179.7 | -60.9 | 177.3 | -171.1 | 173.4 | 0 | 109.8 | L201 Q202 E204 T207 V211 L218 H220 A221 | L201-K209 WeakPolarHBondContact CA-O 3.43Å; Q202-K209 HydrophobicContact CB-CB 4.28Å; Q202-K209 PolarHBondContact N-O 2.99Å; Q202-K209 PolarHBondContact O-N 3.21Å; E204-K209 IonicContact OE2-NZ 2.77Å; E204-K209 PolarHBondContact OE2-NZ 2.89Å; T207-K209 HydrophobicContact CG2-CG 4.12Å; K209-V211 HydrophobicContact CB-CG2 4.36Å; K209-L218 HydrophobicContact CB-CD1 3.74Å; K209-L218 HydrophobicContact CD-CD1 4.18Å; K209-L218 HydrophobicContact CG-CD1 4.01Å; K209-H220 CarbonylContact C-O 3.6Å; K209-H220 WeakPolarHBondContact CA-O 3.42Å; K209-A221 HydrophobicContact CG-CB 4.48Å |
| 210 | L | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 121.1 | 168 | -58 | 178.3 | 0 | 0 | 0 | 108 | W193 L199 L200 L201 L208 L219 H220 F259 | W193-L210 HydrophobicContact CD2-CD1 3.87Å; W193-L210 HydrophobicContact CE3-CD1 3.5Å; W193-L210 VanDerWaalsContact CE3-CD1 3.5Å; W193-L210 HydrophobicContact CG-CD1 4.35Å; W193-L210 HydrophobicContact CZ3-CD1 3.87Å; L199-L210 HydrophobicContact CD1-CD1 4.32Å; L200-L210 WeakPolarHBondContact O-CA 3.5Å; L201-L210 HydrophobicContact CB-CD2 4.19Å; L201-L210 HydrophobicContact CD1-CD2 4.32Å; L201-L210 HydrophobicContact CG-CD2 4.15Å; L208-L210 HydrophobicContact CD2-CD2 4.06Å; L208-L210 HydrophobicContact CD2-CG 4.28Å; L210-L219 PolarHBondContact O-N 3.17Å; L210-H220 HydrophobicContact CB-CB 4.05Å; L210-H220 HydrophobicContact CD1-CB 4.03Å; L210-H220 HydrophobicContact CG-CB 4.22Å; L210-H220 PolarHBondContact N-O 3Å; L210-H220 PolarHBondContact O-N 2.99Å; L210-F259 HydrophobicContact CD1-CE1 3.95Å; L210-F259 HydrophobicContact CD1-CZ 3.9Å; L210-F259 HydrophobicContact CD2-CE1 4.02Å; L210-F259 HydrophobicContact CD2-CZ 4.2Å |
| 211 | V | 94.4 | Very high | 92.7 | Very high | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 139.8 | -173.2 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | L200 K209 Q216 T217 L218 | L200-V211 HydrophobicContact CB-CB 4.24Å; L200-V211 PolarHBondContact N-O 2.88Å; L200-V211 PolarHBondContact O-N 3.39Å; K209-V211 HydrophobicContact CB-CG2 4.36Å; V211-Q216 VanDerWaalsContact CG1-C 3.45Å; V211-Q216 HydrophobicContact CG1-CB 4.29Å; V211-T217 CarbonylContact C-O 3.58Å; V211-T217 VanDerWaalsContact CA-O 3.3Å; V211-T217 WeakPolarHBondContact CA-O 3.41Å; V211-L218 HydrophobicContact CG2-CD1 4.12Å |
| 212 | E | 92.5 | Very high | 92.6 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 26% | 0.257 | 27% | 0.271 | S | S | . | . | trans | -72.1 | 128.5 | 174.4 | -174.9 | 164 | -111.6 | 0 | 0 | 110.6 | Q214 N215 Q216 T217 L219 | E212-Q214 PolarHBondContact O-N 3.26Å; E212-N215 WeakPolarHBondContact CB-OD1 3.4Å; E212-N215 PolarHBondContact OE2-ND2 3.49Å; E212-N215 PolarHBondContact OE2-OD1 3.19Å; E212-Q216 VanDerWaalsContact O-CA 3.28Å; E212-Q216 WeakPolarHBondContact O-CA 3.29Å; E212-Q216 PolarHBondContact O-N 3.03Å; E212-T217 WeakPolarHBondContact CB-OG1 3.48Å; E212-T217 PolarHBondContact N-O 3.22Å; E212-T217 PolarHBondContact OE2-OG1 3.13Å; E212-L219 HydrophobicContact CB-CD1 4.17Å; E212-L219 HydrophobicContact CB-CD2 4.47Å; E212-L219 HydrophobicContact CB-CG 4.35Å | ||
| 213 | P | 90.6 | Very high | 92.5 | Very high | 41 Ų | 41 | 52.8 Ų | 52.8 | 27% | 0.266 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -37.4 | -172.3 | -24.1 | 32.9 | 0 | 0 | 0 | 114.7 | D198 L200 Q216 | D198-P213 VanDerWaalsContact O-CD 3.27Å; D198-P213 WeakPolarHBondContact O-CD 3.49Å; L200-P213 HydrophobicContact CD1-CB 4.47Å; L200-P213 HydrophobicContact CG-CB 4.26Å; L200-P213 HydrophobicContact CG-CG 4.22Å; P213-Q216 PolarHBondContact O-NE2 3.05Å |
| 214 | Q | 88.3 | Confident | 92.3 | Very high | 154 Ų | 154 | 52.8 Ų | 52.8 | 72% | 0.72 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -43.2 | -169.3 | -65.1 | 77.4 | 13 | 0 | 0 | 113.5 | E212 | E212-Q214 PolarHBondContact O-N 3.26Š|
| 215 | N | 89.5 | Confident | 92.1 | Very high | 86 Ų | 86 | 53.6 Ų | 53.6 | 46% | 0.46 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 1.9 | -174.6 | 63.4 | 13.1 | 0 | 0 | 0 | 113.4 | E212 T217 | E212-N215 WeakPolarHBondContact CB-OD1 3.4Å; E212-N215 PolarHBondContact OE2-ND2 3.49Å; E212-N215 PolarHBondContact OE2-OD1 3.19Å; N215-T217 HydrophobicContact CB-CG2 4.24Å; N215-T217 WeakPolarHBondContact ND2-CG2 3.2Å; N215-T217 PolarHBondContact O-N 3.44Å; N215-T217 VanDerWaalsContact OD1-CB 3.31Å; N215-T217 WeakPolarHBondContact OD1-CB 3.46Å; N215-T217 WeakPolarHBondContact OD1-CG2 3.34Å; N215-T217 PolarHBondContact OD1-N 3.42Å; N215-T217 PolarHBondContact OD1-OG1 3.49Å |
| 216 | Q | 88.9 | Confident | 92.2 | Very high | 110 Ų | 110 | 50 Ų | 50 | 51% | 0.514 | 27% | 0.269 | S | S | . | . | trans | 57.3 | 28.3 | -178.1 | -60.5 | -71 | -50.3 | 0 | 0 | 113.5 | V211 E212 P213 | V211-Q216 VanDerWaalsContact CG1-C 3.45Å; V211-Q216 HydrophobicContact CG1-CB 4.29Å; E212-Q216 VanDerWaalsContact O-CA 3.28Å; E212-Q216 WeakPolarHBondContact O-CA 3.29Å; E212-Q216 PolarHBondContact O-N 3.03Å; P213-Q216 PolarHBondContact O-NE2 3.05Å | ||
| 217 | T | 91.3 | Very high | 92.3 | Very high | 58 Ų | 58 | 46.9 Ų | 46.9 | 36% | 0.356 | 26% | 0.255 | S | S | . | . | trans | -75 | 133.1 | 177.3 | 55.7 | 0 | 0 | 0 | 0 | 111.2 | V211 E212 N215 L219 | V211-T217 CarbonylContact C-O 3.58Å; V211-T217 VanDerWaalsContact CA-O 3.3Å; V211-T217 WeakPolarHBondContact CA-O 3.41Å; E212-T217 WeakPolarHBondContact CB-OG1 3.48Å; E212-T217 PolarHBondContact N-O 3.22Å; E212-T217 PolarHBondContact OE2-OG1 3.13Å; N215-T217 HydrophobicContact CB-CG2 4.24Å; N215-T217 WeakPolarHBondContact ND2-CG2 3.2Å; N215-T217 PolarHBondContact O-N 3.44Å; N215-T217 VanDerWaalsContact OD1-CB 3.31Å; N215-T217 WeakPolarHBondContact OD1-CB 3.46Å; N215-T217 WeakPolarHBondContact OD1-CG2 3.34Å; N215-T217 PolarHBondContact OD1-N 3.42Å; N215-T217 PolarHBondContact OD1-OG1 3.49Å; T217-L219 PolarHBondContact O-N 2.83Å | ||
| 218 | L | 91.7 | Very high | 92.1 | Very high | 101 Ų | 101 | 49.3 Ų | 49.3 | 53% | 0.529 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 113.2 | 175.3 | -179.7 | 67 | 0 | 0 | 0 | 109.8 | K209 V211 H220 A221 | K209-L218 HydrophobicContact CB-CD1 3.74Å; K209-L218 HydrophobicContact CD-CD1 4.18Å; K209-L218 HydrophobicContact CG-CD1 4.01Å; V211-L218 HydrophobicContact CG2-CD1 4.12Å; L218-H220 WeakPolarHBondContact CD1-O 3.32Å; L218-A221 HydrophobicContact CD2-CB 4.43Å |
| 219 | L | 91.6 | Very high | 92 | Very high | 46 Ų | 46 | 50.5 Ų | 50.5 | 24% | 0.241 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | -38.3 | 179.7 | -56.7 | -178.8 | 0 | 0 | 0 | 112 | W193 L199 L210 E212 T217 | W193-L219 HydrophobicContact CB-CB 4.31Å; W193-L219 HydrophobicContact CB-CD1 3.98Å; W193-L219 HydrophobicContact CG-CB 4.47Å; L199-L219 HydrophobicContact CD2-CD1 3.5Å; L199-L219 VanDerWaalsContact CD2-CD1 3.5Å; L210-L219 PolarHBondContact O-N 3.17Å; E212-L219 HydrophobicContact CB-CD1 4.17Å; E212-L219 HydrophobicContact CB-CD2 4.47Å; E212-L219 HydrophobicContact CB-CG 4.35Å; T217-L219 PolarHBondContact O-N 2.83Å |
| 220 | H | 91.7 | Very high | 92 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 22% | 0.218 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 146.7 | -178.6 | -173.1 | 72.3 | 0 | 0 | 0 | 111.7 | W193 K209 L210 L218 | W193-H220 HydrophobicContact CD2-CB 4.43Å; W193-H220 HydrophobicContact CZ2-CB 4.28Å; W193-H220 AromaticContact CZ2-CG 3.86Å; W193-H220 AromaticContact CZ2-ND1 3.75Å; K209-H220 CarbonylContact C-O 3.6Å; K209-H220 WeakPolarHBondContact CA-O 3.42Å; L210-H220 HydrophobicContact CB-CB 4.05Å; L210-H220 HydrophobicContact CD1-CB 4.03Å; L210-H220 HydrophobicContact CG-CB 4.22Å; L210-H220 PolarHBondContact N-O 3Å; L210-H220 PolarHBondContact O-N 2.99Å; L218-H220 WeakPolarHBondContact CD1-O 3.32Å |
| 221 | A | 93.7 | Very high | 91.9 | Very high | 39 Ų | 39 | 53 Ų | 53 | 32% | 0.322 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 118.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | T207 L208 K209 L218 | T207-A221 HydrophobicContact CG2-CB 4.04Å; L208-A221 WeakPolarHBondContact O-CA 3.44Å; K209-A221 HydrophobicContact CG-CB 4.48Å; L218-A221 HydrophobicContact CD2-CB 4.43Å |
| 222 | Q | 94.5 | Very high | 91.9 | Very high | 13 Ų | 13 | 54.4 Ų | 54.4 | 6% | 0.061 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 111 | -177.7 | 176.6 | 54.4 | 62 | 0 | 0 | 109.8 | L208 I224 I227 Y244 A246 | L208-Q222 HydrophobicContact CB-CB 4.41Å; L208-Q222 PolarHBondContact N-O 3.44Å; L208-Q222 PolarHBondContact O-N 2.82Å; Q222-I224 PolarHBondContact O-N 2.88Å; Q222-I227 HydrophobicContact CG-CD1 4.22Å; Q222-I227 HydrophobicContact CG-CG1 3.77Å; Q222-Y244 HydrophobicContact CG-CE2 3.9Å; Q222-A246 HydrophobicContact CG-CB 4.18Å; Q222-A246 VanDerWaalsContact OE1-CB 3.31Å |
| 223 | P | 93.2 | Very high | 91.8 | Very high | 38 Ų | 38 | 52 Ų | 52 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 129.5 | 173.2 | -25.2 | 34.3 | 0 | 0 | 0 | 110.8 | V225 S226 | P223-V225 HydrophobicContact CB-CG2 4.02Å; P223-V225 PolarHBondContact O-N 3.42Å; P223-S226 WeakPolarHBondContact O-CB 3.3Å; P223-S226 PolarHBondContact O-N 3.47Å |
| 224 | I | 91.9 | Very high | 91.5 | Very high | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | G | 310 helix | trans | -62.8 | -35.4 | -176.4 | -69.3 | 171.7 | 0 | 0 | 0 | 110.4 | L203 E206 L208 Q222 S226 I227 L272 I275 C276 I279 | L203-I224 HydrophobicContact CD2-CD1 4.34Å; E206-I224 VanDerWaalsContact O-CB 3.25Å; E206-I224 WeakPolarHBondContact O-CB 3.34Å; E206-I224 WeakPolarHBondContact O-CG1 3.33Å; E206-I224 PolarHBondContact O-N 3.27Å; L208-I224 HydrophobicContact CB-CG1 4.45Å; Q222-I224 PolarHBondContact O-N 2.88Å; I224-S226 PolarHBondContact O-N 3.18Å; I224-S226 VanDerWaalsContact O-N 3.11Å; I224-I227 HydrophobicContact CG1-CD1 4.48Å; I224-I227 WeakPolarHBondContact O-CB 3.42Å; I224-I227 PolarHBondContact O-N 2.81Å; I224-I227 VanDerWaalsContact O-N 3.09Å; I224-L272 HydrophobicContact CD1-CD2 3.78Å; I224-L272 HydrophobicContact CG1-CD2 3.85Å; I224-L272 HydrophobicContact CG2-CD2 4.15Å; I224-I275 HydrophobicContact CD1-CB 4.23Å; I224-I275 HydrophobicContact CD1-CD1 3.84Å; I224-I275 HydrophobicContact CD1-CG2 3.66Å; I224-I275 HydrophobicContact CG2-CG2 4.48Å; I224-C276 WeakPolarHBondContact CG2-SG 3.32Å; I224-I279 HydrophobicContact CG2-CD1 4.44Å |
| 225 | V | 88.5 | Confident | 91.3 | Very high | 55 Ų | 55 | 53.7 Ų | 53.7 | 33% | 0.333 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -62.3 | -17 | 175.8 | -61 | 0 | 0 | 0 | 0 | 114.3 | P223 I279 P312 | P223-V225 HydrophobicContact CB-CG2 4.02Å; P223-V225 PolarHBondContact O-N 3.42Å; V225-I279 HydrophobicContact CG1-CD1 3.93Å; V225-I279 HydrophobicContact CG1-CG2 4.03Å; V225-P312 HydrophobicContact CG2-CG 4.12Å |
| 226 | S | 90.8 | Very high | 90.5 | Very high | 49 Ų | 49 | 55.3 Ų | 55.3 | 34% | 0.343 | 30% | 0.295 | S | S | . | . | G | 310 helix | trans | -103 | -2.5 | 179.8 | -62 | 0 | 0 | 0 | 0 | 112.7 | P223 I224 R228 | P223-S226 WeakPolarHBondContact O-CB 3.3Å; P223-S226 PolarHBondContact O-N 3.47Å; I224-S226 PolarHBondContact O-N 3.18Å; I224-S226 VanDerWaalsContact O-N 3.11Å; S226-R228 PolarHBondContact O-N 2.84Å |
| 227 | I | 92.5 | Very high | 89.9 | Confident | 15 Ų | 15 | 53.5 Ų | 53.5 | 8% | 0.077 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 123.5 | 171 | -61.2 | 176 | 0 | 0 | 0 | 108 | L208 Q222 I224 V229 W230 Y244 L272 | L208-I227 HydrophobicContact CB-CD1 4.45Å; L208-I227 HydrophobicContact CD1-CD1 4.16Å; Q222-I227 HydrophobicContact CG-CD1 4.22Å; Q222-I227 HydrophobicContact CG-CG1 3.77Å; I224-I227 HydrophobicContact CG1-CD1 4.48Å; I224-I227 WeakPolarHBondContact O-CB 3.42Å; I224-I227 PolarHBondContact O-N 2.81Å; I224-I227 VanDerWaalsContact O-N 3.09Å; I227-V229 WeakPolarHBondContact CG2-O 3.5Å; I227-W230 HydrophobicContact CG2-CE3 3.99Å; I227-Y244 HydrophobicContact CD1-CD2 4.39Å; I227-Y244 HydrophobicContact CG1-CD2 4.25Å; I227-Y244 HydrophobicContact CG2-CD2 4.38Å; I227-L272 HydrophobicContact CD1-CD2 4.48Å |
| 228 | R | 90.6 | Very high | 89.4 | Confident | 81 Ų | 81 | 51.9 Ų | 51.9 | 31% | 0.306 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | -47.9 | -177.8 | -66.2 | -67.5 | -58.3 | -90.7 | -3.2 | 111.4 | E159 L162 S226 V245 L254 | E159-R228 IonicContact OE1-CZ 3.28Å; E159-R228 IonicContact OE1-NH1 3.39Å; E159-R228 PolarHBondContact OE1-NH1 3.17Å; E159-R228 IonicContact OE1-NH2 2.73Å; E159-R228 PolarHBondContact OE1-NH2 2.81Å; E159-R228 IonicContact OE2-CZ 3.99Å; E159-R228 IonicContact OE2-NH1 2.61Å; E159-R228 PolarHBondContact OE2-NH1 2.91Å; E159-R228 IonicContact OE2-NH2 2.96Å; L162-R228 HydrophobicContact CD1-CB 4.38Å; S226-R228 PolarHBondContact O-N 2.84Å; R228-V245 PolarHBondContact N-O 2.88Å; R228-L254 HydrophobicContact CG-CD2 4.13Å |
| 229 | V | 93.9 | Very high | 89.1 | Confident | 26 Ų | 26 | 53.2 Ų | 53.2 | 16% | 0.158 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 147 | -174.8 | -174.3 | 0 | 0 | 0 | 0 | 107.9 | L162 V171 I227 Y244 V245 | L162-V229 HydrophobicContact CD2-CG2 4.23Å; V171-V229 HydrophobicContact CG2-CB 4.46Å; V171-V229 HydrophobicContact CG2-CG1 3.88Å; I227-V229 WeakPolarHBondContact CG2-O 3.5Å; V229-Y244 CarbonylContact O-C 3.58Å; V229-Y244 WeakPolarHBondContact O-CA 3.38Å; V229-V245 HydrophobicContact CB-CB 4.45Å; V229-V245 HydrophobicContact CB-CG2 4.38Å; V229-V245 PolarHBondContact O-N 3.03Å |
| 230 | W | 95.7 | Very high | 89.2 | Confident | 74 Ų | 74 | 56.7 Ų | 56.7 | 28% | 0.28 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 160.7 | 164.3 | 65.2 | 82.8 | 0 | 0 | 0 | 110.2 | I227 F242 A243 L272 H273 C276 | I227-W230 HydrophobicContact CG2-CE3 3.99Å; W230-F242 HydrophobicContact CB-CE2 4.04Å; W230-F242 HydrophobicContact CB-CZ 4.1Å; W230-F242 HydrophobicContact CG-CE2 4.45Å; W230-A243 CarbonylContact C-O 3.54Å; W230-A243 WeakPolarHBondContact CA-O 3.48Å; W230-A243 WeakPolarHBondContact CB-O 3.45Å; W230-L272 HydrophobicContact CD2-CD1 4.46Å; W230-L272 HydrophobicContact CG-CD1 4.33Å; W230-L272 HydrophobicContact CZ2-CB 4.43Å; W230-H273 HydrophobicContact CZ2-CB 4.31Å; W230-C276 HydrophobicContact CH2-CB 4.08Å; W230-C276 VanDerWaalsContact CH2-SG 3.52Å |
| 231 | G | 94.2 | Very high | 89.4 | Confident | 16 Ų | 16 | 54.5 Ų | 54.5 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 166 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | F242 A243 | G231-F242 WeakPolarHBondContact O-CD2 3.47Å; G231-A243 PolarHBondContact N-O 3.06Å; G231-A243 PolarHBondContact O-N 3.45Å |
| 232 | V | 94.5 | Very high | 89.5 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 22% | 0.224 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 143.6 | 175 | 178.5 | 0 | 0 | 0 | 0 | 108 | R234 D241 F242 A265 A269 | V232-R234 PolarHBondContact O-N 2.78Å; V232-D241 WeakPolarHBondContact CA-O 3.12Å; V232-F242 HydrophobicContact CG2-CD2 4.44Å; V232-A265 HydrophobicContact CB-CB 4.45Å; V232-A265 HydrophobicContact CG1-CB 3.69Å; V232-A265 HydrophobicContact CG2-CB 4.08Å; V232-A269 HydrophobicContact CG2-CB 3.73Å |
| 233 | G | 90 | Very high | 89.7 | Confident | 5 Ų | 5 | 52 Ų | 52 | 5% | 0.052 | 28% | 0.279 | C | S | . | . | trans | -59.9 | 132.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R238 D241 | G233-R238 VanDerWaalsContact CA-O 3.28Å; G233-R238 WeakPolarHBondContact CA-O 3.24Å; G233-D241 PolarHBondContact N-O 3.44Å | ||
| 234 | R | 84.4 | Confident | 89.8 | Confident | 192 Ų | 192 | 50.2 Ų | 50.2 | 73% | 0.725 | 27% | 0.267 | S | S | * | . | trans | -100.6 | -15.9 | -178.8 | -62.7 | -175.8 | -176.8 | -172.8 | 1.1 | 113.6 | V232 | V232-R234 PolarHBondContact O-N 2.78Š| ||
| 235 | D | 83.8 | Confident | 90.1 | Very high | 37 Ų | 37 | 50.1 Ų | 50.1 | 20% | 0.198 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -77.6 | 150.1 | -178.2 | -53.7 | -38.9 | 0 | 0 | 0 | 110.1 | R176 G237 R238 | R176-D235 IonicContact CZ-OD1 4Å; R176-D235 IonicContact CZ-OD2 3.72Å; R176-D235 IonicContact NE-OD1 3.49Å; R176-D235 IonicContact NE-OD2 2.57Å; R176-D235 PolarHBondContact NE-OD2 2.94Å; R176-D235 IonicContact NH2-OD1 2.72Å; R176-D235 PolarHBondContact NH2-OD1 2.85Å; R176-D235 IonicContact NH2-OD2 2.92Å; R176-D235 PolarHBondContact NH2-OD2 3.46Å; D235-G237 PolarHBondContact O-N 2.91Å; D235-R238 PolarHBondContact O-N 3.2Å; D235-R238 IonicContact OD2-CZ 3.94Å; D235-R238 IonicContact OD2-NH1 2.77Å; D235-R238 PolarHBondContact OD2-NH1 2.83Å; D235-R238 IonicContact OD2-NH2 3.25Å |
| 236 | S | 72.9 | Confident | 90.4 | Very high | 121 Ų | 121 | 47.6 Ų | 47.6 | 85% | 0.846 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 123.8 | 175.1 | 43.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 237 | G | 75.8 | Confident | 90.4 | Very high | 72 Ų | 72 | 49.7 Ų | 49.7 | 74% | 0.742 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.5 | -6.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | D235 | D235-G237 PolarHBondContact O-N 2.91Š|
| 238 | R | 81.6 | Confident | 90.2 | Very high | 23 Ų | 23 | 51 Ų | 51 | 9% | 0.087 | 26% | 0.259 | C | S | . | . | trans | -111.8 | 11.9 | 178.4 | -57.3 | -156 | -153.2 | 115 | 21.6 | 114.6 | I175 Y180 G233 D235 R240 D241 | I175-R238 HydrophobicContact CG2-CB 4.47Å; Y180-R238 VanDerWaalsContact CZ-NH2 3.28Å; Y180-R238 PolarHBondContact OH-NH2 2.97Å; G233-R238 VanDerWaalsContact CA-O 3.28Å; G233-R238 WeakPolarHBondContact CA-O 3.24Å; D235-R238 PolarHBondContact O-N 3.2Å; D235-R238 IonicContact OD2-CZ 3.94Å; D235-R238 IonicContact OD2-NH1 2.77Å; D235-R238 PolarHBondContact OD2-NH1 2.83Å; D235-R238 IonicContact OD2-NH2 3.25Å; R238-R240 PolarHBondContact O-N 3.16Å; R238-D241 VanDerWaalsContact CB-OD2 3.32Å; R238-D241 WeakPolarHBondContact CB-OD2 3.41Å; R238-D241 WeakPolarHBondContact CG-OD2 3.32Å; R238-D241 PolarHBondContact O-N 3.08Å | ||
| 239 | E | 86.3 | Confident | 89.7 | Confident | 130 Ų | 130 | 54.7 Ų | 54.7 | 61% | 0.607 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -11.5 | 174.3 | -58.5 | 178.6 | -177.8 | 0 | 0 | 113.3 | A265 | E239-A265 WeakPolarHBondContact O-CB 3.38Å; E239-A265 PolarHBondContact O-N 2.84Å |
| 240 | R | 93.3 | Very high | 89.1 | Confident | 118 Ų | 118 | 61 Ų | 61 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -7.9 | 175.5 | -66.1 | -175.6 | -178.1 | -79.7 | 8.4 | 113 | R238 C261 E262 | R238-R240 PolarHBondContact O-N 3.16Å; R240-C261 WeakPolarHBondContact CB-O 3.39Å; R240-C261 VanDerWaalsContact O-CB 3.24Å; R240-C261 WeakPolarHBondContact O-CB 3.45Å; R240-C261 PolarHBondContact O-N 2.82Å; R240-C261 PolarHBondContact O-SG 2.82Å; R240-E262 PolarHBondContact NH1-O 3.22Å |
| 241 | D | 94.8 | Very high | 88.5 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 120.6 | 179.1 | -57.8 | -37.9 | 0 | 0 | 0 | 109.5 | I175 S179 V232 G233 R238 F259 R260 | I175-D241 HydrophobicContact CG2-CB 3.53Å; S179-D241 PolarHBondContact OG-OD2 2.89Å; S179-D241 VanDerWaalsContact OG-OD2 3.11Å; V232-D241 WeakPolarHBondContact CA-O 3.12Å; G233-D241 PolarHBondContact N-O 3.44Å; R238-D241 VanDerWaalsContact CB-OD2 3.32Å; R238-D241 WeakPolarHBondContact CB-OD2 3.41Å; R238-D241 WeakPolarHBondContact CG-OD2 3.32Å; R238-D241 PolarHBondContact O-N 3.08Å; D241-F259 CarbonylContact C-O 3.58Å; D241-F259 WeakPolarHBondContact CA-O 3.41Å; D241-R260 WeakPolarHBondContact OD1-CG 3.14Å; D241-R260 IonicContact OD1-CZ 3.82Å; D241-R260 IonicContact OD1-NE 3.81Å; D241-R260 PolarHBondContact OD1-NE 2.68Å; D241-R260 IonicContact OD1-NH2 2.69Å; D241-R260 IonicContact OD2-NH2 3.74Å |
| 242 | F | 96.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 142.4 | 175.8 | 174 | -107 | 0 | 0 | 0 | 109.2 | L201 W230 G231 V232 Y244 V258 F259 A265 I268 L272 | L201-F242 HydrophobicContact CD1-CD1 4.22Å; L201-F242 HydrophobicContact CD1-CE1 4.19Å; W230-F242 HydrophobicContact CB-CE2 4.04Å; W230-F242 HydrophobicContact CB-CZ 4.1Å; W230-F242 HydrophobicContact CG-CE2 4.45Å; G231-F242 WeakPolarHBondContact O-CD2 3.47Å; V232-F242 HydrophobicContact CG2-CD2 4.44Å; F242-Y244 HydrophobicContact CE1-CD1 4.01Å; F242-V258 CarbonylContact O-C 3.57Å; F242-V258 WeakPolarHBondContact O-CA 3.39Å; F242-F259 HydrophobicContact CD1-CD2 4.15Å; F242-F259 PolarHBondContact N-O 2.96Å; F242-F259 PolarHBondContact O-N 3.15Å; F242-A265 HydrophobicContact CB-CB 3.81Å; F242-I268 HydrophobicContact CB-CD1 4.39Å; F242-I268 HydrophobicContact CD1-CD1 4.42Å; F242-I268 HydrophobicContact CD1-CG2 4.07Å; F242-I268 HydrophobicContact CD2-CB 4.15Å; F242-I268 HydrophobicContact CD2-CG2 4.02Å; F242-I268 HydrophobicContact CE1-CG2 3.88Å; F242-I268 HydrophobicContact CE2-CB 4.36Å; F242-I268 HydrophobicContact CE2-CG2 3.84Å; F242-I268 HydrophobicContact CG-CB 4.35Å; F242-I268 HydrophobicContact CG-CD1 4.33Å; F242-I268 HydrophobicContact CG-CG2 4.15Å; F242-I268 HydrophobicContact CZ-CG2 3.79Å; F242-L272 HydrophobicContact CE1-CD1 4.39Å; F242-L272 HydrophobicContact CE2-CD1 3.91Å; F242-L272 HydrophobicContact CZ-CD1 3.4Å |
| 243 | A | 97.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 146.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V171 I175 W230 G231 H257 V258 | V171-A243 HydrophobicContact CG1-CB 3.76Å; I175-A243 HydrophobicContact CD1-CB 3.9Å; I175-A243 HydrophobicContact CG1-CB 3.81Å; W230-A243 CarbonylContact C-O 3.54Å; W230-A243 WeakPolarHBondContact CA-O 3.48Å; W230-A243 WeakPolarHBondContact CB-O 3.45Å; G231-A243 PolarHBondContact N-O 3.06Å; G231-A243 PolarHBondContact O-N 3.45Å; A243-H257 WeakPolarHBondContact CA-O 3.42Å; A243-V258 HydrophobicContact CB-CG2 3.96Å |
| 244 | Y | 97.2 | Very high | 88.1 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 149.9 | 167.9 | 78.8 | -94.5 | 0 | 0 | 0 | 111 | L208 Q222 I227 V229 F242 A246 C256 H257 F259 | L208-Y244 HydrophobicContact CD1-CD1 4.08Å; L208-Y244 HydrophobicContact CD1-CE1 4.18Å; L208-Y244 HydrophobicContact CD2-CE1 4.13Å; Q222-Y244 HydrophobicContact CG-CE2 3.9Å; I227-Y244 HydrophobicContact CD1-CD2 4.39Å; I227-Y244 HydrophobicContact CG1-CD2 4.25Å; I227-Y244 HydrophobicContact CG2-CD2 4.38Å; V229-Y244 CarbonylContact O-C 3.58Å; V229-Y244 WeakPolarHBondContact O-CA 3.38Å; F242-Y244 HydrophobicContact CE1-CD1 4.01Å; Y244-A246 HydrophobicContact CD2-CB 4.13Å; Y244-A246 HydrophobicContact CE2-CB 3.92Å; Y244-C256 WeakPolarHBondContact O-CA 3.2Å; Y244-H257 HydrophobicContact CD1-CB 4.25Å; Y244-H257 HydrophobicContact CE1-CB 3.86Å; Y244-H257 HydrophobicContact CE2-CB 4.46Å; Y244-H257 AromaticContact CE2-CD2 3.71Å; Y244-H257 AromaticContact CZ-CD2 3.71Å; Y244-H257 PolarHBondContact N-O 2.87Å; Y244-H257 PolarHBondContact O-N 3.39Å; Y244-F259 HydrophobicContact CD1-CD2 4.48Å; Y244-F259 AromaticContact CD1-CE2 3.75Å; Y244-F259 HydrophobicContact CD1-CE2 3.75Å; Y244-F259 HydrophobicContact CE1-CD2 4.49Å; Y244-F259 AromaticContact CE1-CE2 3.42Å; Y244-F259 HydrophobicContact CE1-CE2 3.42Å; Y244-F259 VanDerWaalsContact CE1-CE2 3.42Å; Y244-F259 AromaticContact CE1-CZ 3.9Å; Y244-F259 HydrophobicContact CE1-CZ 3.9Å |
| 245 | V | 96.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 125.2 | 177.8 | -171.2 | 0 | 0 | 0 | 0 | 109.4 | M157 L162 V171 R228 V229 L254 K255 C256 | M157-V245 HydrophobicContact CG-CG1 4.35Å; L162-V245 HydrophobicContact CD1-CG1 3.66Å; L162-V245 HydrophobicContact CD2-CB 4.34Å; L162-V245 HydrophobicContact CD2-CG1 4Å; L162-V245 HydrophobicContact CD2-CG2 4.08Å; L162-V245 HydrophobicContact CG-CG1 4.47Å; V171-V245 HydrophobicContact CG2-CG2 3.88Å; R228-V245 PolarHBondContact N-O 2.88Å; V229-V245 HydrophobicContact CB-CB 4.45Å; V229-V245 HydrophobicContact CB-CG2 4.38Å; V229-V245 PolarHBondContact O-N 3.03Å; V245-L254 HydrophobicContact CG1-CB 4.4Å; V245-K255 WeakPolarHBondContact CA-O 3.28Å; V245-C256 HydrophobicContact CG2-CB 3.94Å |
| 246 | A | 94.9 | Very high | 89.2 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 2% | 0.017 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 160.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q222 Y244 K255 | Q222-A246 HydrophobicContact CG-CB 4.18Å; Q222-A246 VanDerWaalsContact OE1-CB 3.31Å; Y244-A246 HydrophobicContact CD2-CB 4.13Å; Y244-A246 HydrophobicContact CE2-CB 3.92Å; A246-K255 PolarHBondContact N-O 2.85Å; A246-K255 VanDerWaalsContact N-O 3.16Å; A246-K255 PolarHBondContact O-N 2.86Å |
| 247 | R | 91.3 | Very high | 90.3 | Very high | 94 Ų | 94 | 50.1 Ų | 50.1 | 36% | 0.355 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 126.8 | 174.7 | -171.7 | 173.9 | -73.1 | -171.1 | -1.8 | 109.6 | E159 Q252 M253 L254 | E159-R247 IonicContact OE2-NH2 3.86Å; R247-Q252 WeakPolarHBondContact CD-O 3.38Å; R247-Q252 VanDerWaalsContact CD-OE1 3.28Å; R247-Q252 WeakPolarHBondContact CG-O 3.26Å; R247-M253 CarbonylContact C-O 3.56Å; R247-M253 WeakPolarHBondContact CA-O 3.45Å; R247-L254 HydrophobicContact CB-CD2 4.07Å |
| 248 | D | 87.7 | Confident | 91.2 | Very high | 41 Ų | 41 | 46.7 Ų | 46.7 | 22% | 0.219 | 22% | 0.216 | C | C | . | . | trans | -64 | 131.4 | 173 | -170.8 | -75.4 | 0 | 0 | 0 | 110.3 | L250 T251 Q252 M253 K255 | D248-L250 VanDerWaalsContact C-N 3.32Å; D248-L250 PolarHBondContact O-N 3.47Å; D248-L250 PolarHBondContact OD1-N 3.36Å; D248-T251 WeakPolarHBondContact CB-OG1 3.24Å; D248-T251 PolarHBondContact OD1-N 3.31Å; D248-T251 PolarHBondContact OD1-OG1 3.04Å; D248-Q252 VanDerWaalsContact O-CA 3.24Å; D248-Q252 WeakPolarHBondContact O-CA 3.35Å; D248-Q252 PolarHBondContact O-N 3.38Å; D248-M253 PolarHBondContact N-O 2.98Å; D248-K255 HydrophobicContact CB-CD 4.23Å; D248-K255 IonicContact OD2-NZ 3.32Å; D248-K255 PolarHBondContact OD2-NZ 3.47Å | ||
| 249 | K | 80.6 | Confident | 91.9 | Very high | 160 Ų | 160 | 45.6 Ų | 45.6 | 70% | 0.696 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -33 | -175.2 | -68.7 | -177.5 | 179.9 | 176.2 | 0 | 112.7 | Q252 | K249-Q252 PolarHBondContact O-NE2 2.86Š|
| 250 | L | 81.4 | Confident | 92.3 | Very high | 159 Ų | 159 | 43.9 Ų | 43.9 | 83% | 0.832 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89 | -49.3 | -174.3 | -62.1 | 174.9 | 0 | 0 | 0 | 110.7 | D248 | D248-L250 VanDerWaalsContact C-N 3.32Å; D248-L250 PolarHBondContact O-N 3.47Å; D248-L250 PolarHBondContact OD1-N 3.36Å |
| 251 | T | 83.9 | Confident | 92.3 | Very high | 54 Ų | 54 | 38.5 Ų | 38.5 | 33% | 0.331 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -10.6 | -173.8 | 69.9 | 0 | 0 | 0 | 0 | 113.6 | M189 D248 M253 | M189-T251 HydrophobicContact CE-CG2 4.42Å; D248-T251 WeakPolarHBondContact CB-OG1 3.24Å; D248-T251 PolarHBondContact OD1-N 3.31Å; D248-T251 PolarHBondContact OD1-OG1 3.04Å; T251-M253 HydrophobicContact CG2-SD 4.35Å; T251-M253 PolarHBondContact O-N 3.38Å; T251-M253 WeakPolarHBondContact OG1-CB 3.35Å; T251-M253 VanDerWaalsContact OG1-CG 3.32Å; T251-M253 WeakPolarHBondContact OG1-CG 3.38Å; T251-M253 PolarHBondContact OG1-N 2.93Å; T251-M253 PolarHBondContact OG1-SD 3.29Å; T251-M253 VanDerWaalsContact OG1-SD 3.34Å |
| 252 | Q | 86.4 | Confident | 92.3 | Very high | 109 Ų | 109 | 45.8 Ų | 45.8 | 51% | 0.509 | 21% | 0.214 | S | C | . | . | trans | 58.7 | 9.1 | -172.3 | -60.3 | -63.2 | -56.1 | 0 | 0 | 114.5 | R247 D248 K249 | R247-Q252 WeakPolarHBondContact CD-O 3.38Å; R247-Q252 VanDerWaalsContact CD-OE1 3.28Å; R247-Q252 WeakPolarHBondContact CG-O 3.26Å; D248-Q252 VanDerWaalsContact O-CA 3.24Å; D248-Q252 WeakPolarHBondContact O-CA 3.35Å; D248-Q252 PolarHBondContact O-N 3.38Å; K249-Q252 PolarHBondContact O-NE2 2.86Å | ||
| 253 | M | 88.6 | Confident | 92 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 25% | 0.251 | 23% | 0.229 | S | C | . | . | trans | -76.3 | 144.3 | 177.5 | -63.3 | 164.9 | 74.9 | 0 | 0 | 110.7 | E156 R247 D248 T251 | E156-M253 HydrophobicContact CB-CE 4.17Å; E156-M253 HydrophobicContact CG-CE 3.76Å; E156-M253 VanDerWaalsContact OE1-CE 3.24Å; E156-M253 WeakPolarHBondContact OE1-CE 3.38Å; E156-M253 WeakPolarHBondContact OE2-CE 3.47Å; R247-M253 CarbonylContact C-O 3.56Å; R247-M253 WeakPolarHBondContact CA-O 3.45Å; D248-M253 PolarHBondContact N-O 2.98Å; T251-M253 HydrophobicContact CG2-SD 4.35Å; T251-M253 PolarHBondContact O-N 3.38Å; T251-M253 WeakPolarHBondContact OG1-CB 3.35Å; T251-M253 VanDerWaalsContact OG1-CG 3.32Å; T251-M253 WeakPolarHBondContact OG1-CG 3.38Å; T251-M253 PolarHBondContact OG1-N 2.93Å; T251-M253 PolarHBondContact OG1-SD 3.29Å; T251-M253 VanDerWaalsContact OG1-SD 3.34Å | ||
| 254 | L | 93.4 | Very high | 91.8 | Very high | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.3 | 170 | -67.5 | 158 | 0 | 0 | 0 | 108.5 | E156 M157 E159 L162 R228 V245 R247 | E156-L254 WeakPolarHBondContact CA-O 3.17Å; M157-L254 HydrophobicContact CB-CB 4.03Å; M157-L254 PolarHBondContact N-O 2.79Å; M157-L254 WeakPolarHBondContact O-CB 3.28Å; E159-L254 HydrophobicContact CB-CD1 4.45Å; L162-L254 HydrophobicContact CD1-CB 4.38Å; L162-L254 HydrophobicContact CD1-CD1 3.66Å; L162-L254 HydrophobicContact CD1-CD2 3.89Å; L162-L254 HydrophobicContact CD1-CG 4.18Å; R228-L254 HydrophobicContact CG-CD2 4.13Å; V245-L254 HydrophobicContact CG1-CB 4.4Å; R247-L254 HydrophobicContact CB-CD2 4.07Å |
| 255 | K | 94.9 | Very high | 91.7 | Very high | 16 Ų | 16 | 49.9 Ų | 49.9 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.9 | -179.9 | -65.9 | -179.6 | 178.9 | 170.6 | 0 | 109.4 | W154 V245 A246 D248 H257 | W154-K255 HydrophobicContact CD2-CD 4.04Å; W154-K255 HydrophobicContact CD2-CG 4.3Å; W154-K255 HydrophobicContact CE3-CB 4.24Å; W154-K255 HydrophobicContact CE3-CD 3.93Å; W154-K255 HydrophobicContact CE3-CG 3.75Å; W154-K255 HydrophobicContact CZ3-CD 4.24Å; W154-K255 HydrophobicContact CZ3-CG 4.08Å; V245-K255 WeakPolarHBondContact CA-O 3.28Å; A246-K255 PolarHBondContact N-O 2.85Å; A246-K255 VanDerWaalsContact N-O 3.16Å; A246-K255 PolarHBondContact O-N 2.86Å; D248-K255 HydrophobicContact CB-CD 4.23Å; D248-K255 IonicContact OD2-NZ 3.32Å; D248-K255 PolarHBondContact OD2-NZ 3.47Å; K255-H257 VanDerWaalsContact CB-NE2 3.3Å; K255-H257 WeakPolarHBondContact CB-NE2 3.48Å |
| 256 | C | 96.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 104.4 | 168.3 | -173.9 | 0 | 0 | 0 | 0 | 108.4 | W154 V155 M157 C174 Y244 V245 | W154-C256 CarbonylContact C-O 3.54Å; W154-C256 WeakPolarHBondContact CA-O 3.42Å; W154-C256 WeakPolarHBondContact CB-O 3.39Å; V155-C256 PolarHBondContact N-O 2.79Å; V155-C256 PolarHBondContact O-N 2.8Å; M157-C256 HydrophobicContact CG-CB 3.65Å; M157-C256 HydrophobicContact SD-CB 3.82Å; C174-C256 HydrophobicContact CB-CB 4.2Å; C174-C256 WeakPolarHBondContact CB-SG 3.41Å; C174-C256 VanDerWaalsContact SG-SG 3.62Å; Y244-C256 WeakPolarHBondContact O-CA 3.2Å; V245-C256 HydrophobicContact CG2-CB 3.94Å |
| 257 | H | 95.7 | Very high | 91.4 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.056 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 128.2 | 177.8 | -63 | -74.4 | 0 | 0 | 0 | 109.8 | W154 W193 A243 Y244 K255 F259 | W154-H257 WeakPolarHBondContact CB-ND1 3.34Å; W193-H257 AromaticContact CH2-CE1 3.28Å; W193-H257 WeakPolarHBondContact CH2-CE1 3.17Å; W193-H257 AromaticContact CH2-ND1 3.39Å; W193-H257 WeakPolarHBondContact CH2-ND1 3.44Å; W193-H257 AromaticContact CH2-NE2 3.9Å; W193-H257 AromaticContact CZ3-CE1 3.79Å; W193-H257 AromaticContact CZ3-ND1 3.38Å; W193-H257 WeakPolarHBondContact CZ3-ND1 3.33Å; A243-H257 WeakPolarHBondContact CA-O 3.42Å; Y244-H257 HydrophobicContact CD1-CB 4.25Å; Y244-H257 HydrophobicContact CE1-CB 3.86Å; Y244-H257 HydrophobicContact CE2-CB 4.46Å; Y244-H257 AromaticContact CE2-CD2 3.71Å; Y244-H257 AromaticContact CZ-CD2 3.71Å; Y244-H257 PolarHBondContact N-O 2.87Å; Y244-H257 PolarHBondContact O-N 3.39Å; K255-H257 VanDerWaalsContact CB-NE2 3.3Å; K255-H257 WeakPolarHBondContact CB-NE2 3.48Å; H257-F259 HydrophobicContact CB-CE2 3.59Å; H257-F259 HydrophobicContact CB-CZ 3.91Å |
| 258 | V | 95.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.2 | -176.7 | -174.7 | 0 | 0 | 0 | 0 | 110.4 | L152 G153 C174 I175 L178 F242 A243 | L152-V258 HydrophobicContact CB-CB 4.29Å; L152-V258 HydrophobicContact CB-CG1 4.28Å; L152-V258 HydrophobicContact CD1-CG1 3.97Å; L152-V258 HydrophobicContact CG-CG1 4.49Å; L152-V258 PolarHBondContact N-O 2.88Å; G153-V258 PolarHBondContact O-N 2.89Å; C174-V258 HydrophobicContact CB-CG2 4.28Å; I175-V258 HydrophobicContact CG1-CG1 4.04Å; I175-V258 HydrophobicContact CG1-CG2 4.34Å; L178-V258 HydrophobicContact CB-CB 4.47Å; L178-V258 HydrophobicContact CD1-CB 3.84Å; L178-V258 HydrophobicContact CD1-CG2 3.65Å; F242-V258 CarbonylContact O-C 3.57Å; F242-V258 WeakPolarHBondContact O-CA 3.39Å; A243-V258 HydrophobicContact CB-CG2 3.96Å |
| 259 | F | 95.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 135.7 | -177 | -56.3 | -88.9 | 0 | 0 | 0 | 110.6 | V149 R150 W193 L199 L210 D241 F242 Y244 H257 | V149-F259 HydrophobicContact CB-CB 4.11Å; V149-F259 HydrophobicContact CG2-CB 4.36Å; V149-F259 HydrophobicContact CG2-CD1 3.93Å; V149-F259 HydrophobicContact CG2-CG 4.41Å; R150-F259 CarbonylContact O-C 3.51Å; R150-F259 VanDerWaalsContact O-CA 3.31Å; R150-F259 WeakPolarHBondContact O-CA 3.41Å; W193-F259 HydrophobicContact CZ3-CZ 4.42Å; L199-F259 HydrophobicContact CD1-CE1 4.29Å; L210-F259 HydrophobicContact CD1-CE1 3.95Å; L210-F259 HydrophobicContact CD1-CZ 3.9Å; L210-F259 HydrophobicContact CD2-CE1 4.02Å; L210-F259 HydrophobicContact CD2-CZ 4.2Å; D241-F259 CarbonylContact C-O 3.58Å; D241-F259 WeakPolarHBondContact CA-O 3.41Å; F242-F259 HydrophobicContact CD1-CD2 4.15Å; F242-F259 PolarHBondContact N-O 2.96Å; F242-F259 PolarHBondContact O-N 3.15Å; Y244-F259 HydrophobicContact CD1-CD2 4.48Å; Y244-F259 AromaticContact CD1-CE2 3.75Å; Y244-F259 HydrophobicContact CD1-CE2 3.75Å; Y244-F259 HydrophobicContact CE1-CD2 4.49Å; Y244-F259 AromaticContact CE1-CE2 3.42Å; Y244-F259 HydrophobicContact CE1-CE2 3.42Å; Y244-F259 VanDerWaalsContact CE1-CE2 3.42Å; Y244-F259 AromaticContact CE1-CZ 3.9Å; Y244-F259 HydrophobicContact CE1-CZ 3.9Å; H257-F259 HydrophobicContact CB-CE2 3.59Å; H257-F259 HydrophobicContact CB-CZ 3.91Å |
| 260 | R | 94.1 | Very high | 92.4 | Very high | 94 Ų | 94 | 49.4 Ų | 49.4 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.3 | 169 | -174.2 | 161.8 | -65.7 | 143.5 | 1.1 | 110 | V149 R150 L152 S179 D241 | V149-R260 CarbonylContact C-O 3.46Å; V149-R260 VanDerWaalsContact CA-O 3.32Å; V149-R260 WeakPolarHBondContact CA-O 3.25Å; R150-R260 HydrophobicContact CB-CB 4.49Å; R150-R260 PolarHBondContact N-O 3.46Å; R150-R260 PolarHBondContact O-N 3.44Å; L152-R260 HydrophobicContact CD1-CB 4.19Å; L152-R260 HydrophobicContact CD2-CB 4.14Å; L152-R260 HydrophobicContact CG-CB 4.2Å; S179-R260 PolarHBondContact OG-NH2 3.48Å; D241-R260 WeakPolarHBondContact OD1-CG 3.14Å; D241-R260 IonicContact OD1-CZ 3.82Å; D241-R260 IonicContact OD1-NE 3.81Å; D241-R260 PolarHBondContact OD1-NE 2.68Å; D241-R260 IonicContact OD1-NH2 2.69Å; D241-R260 IonicContact OD2-NH2 3.74Å |
| 261 | C | 94.8 | Very high | 93 | Very high | 6 Ų | 6 | 42.3 Ų | 42.3 | 4% | 0.041 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 142.2 | -172.5 | -51.5 | 0 | 0 | 0 | 0 | 111.5 | V149 R240 A263 I268 | V149-C261 HydrophobicContact CG1-CB 4.26Å; R240-C261 WeakPolarHBondContact CB-O 3.39Å; R240-C261 VanDerWaalsContact O-CB 3.24Å; R240-C261 WeakPolarHBondContact O-CB 3.45Å; R240-C261 PolarHBondContact O-N 2.82Å; R240-C261 PolarHBondContact O-SG 2.82Å; C261-A263 VanDerWaalsContact C-N 3.32Å; C261-A263 CarbonylContact C-O 3.49Å; C261-A263 WeakPolarHBondContact CB-O 3.4Å; C261-I268 HydrophobicContact CB-CD1 4.49Å; C261-I268 WeakPolarHBondContact SG-CD1 3.24Å |
| 262 | E | 93.3 | Very high | 93.4 | Very high | 153 Ų | 153 | 39.8 Ų | 39.8 | 72% | 0.715 | 20% | 0.203 | S | C | * | . | S | Bend | trans | -70.6 | -31.4 | 171.2 | -68.9 | -170.6 | 168.6 | 0 | 0 | 112.4 | A148 R240 | A148-E262 HydrophobicContact CB-CB 4.28Å; A148-E262 HydrophobicContact CB-CG 3.98Å; A148-E262 WeakPolarHBondContact CB-OE2 3.45Å; A148-E262 PolarHBondContact O-N 2.76Å; A148-E262 VanDerWaalsContact O-N 3.08Å; R240-E262 PolarHBondContact NH1-O 3.22Å |
| 263 | A | 92 | Very high | 93.6 | Very high | 38 Ų | 38 | 39.8 Ų | 39.8 | 31% | 0.314 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -95.6 | 165.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | C261 A265 | C261-A263 VanDerWaalsContact C-N 3.32Å; C261-A263 CarbonylContact C-O 3.49Å; C261-A263 WeakPolarHBondContact CB-O 3.4Å; A263-A265 PolarHBondContact O-N 3.09Å |
| 264 | P | 93 | Very high | 93.6 | Very high | 49 Ų | 49 | 42 Ų | 42 | 32% | 0.318 | 21% | 0.213 | S | C | . | . | trans | -54.8 | 127.1 | 172.4 | -27.2 | 36.7 | 0 | 0 | 0 | 111.6 | K266 N267 | P264-K266 HydrophobicContact CB-CD 4.38Å; P264-K266 HydrophobicContact CB-CG 3.9Å; P264-K266 PolarHBondContact O-N 2.77Å; P264-K266 VanDerWaalsContact O-N 3.09Å; P264-N267 WeakPolarHBondContact O-CB 3.29Å; P264-N267 PolarHBondContact O-N 2.87Å | ||
| 265 | A | 94.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -21.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | V232 E239 F242 A263 N267 I268 A269 | V232-A265 HydrophobicContact CB-CB 4.45Å; V232-A265 HydrophobicContact CG1-CB 3.69Å; V232-A265 HydrophobicContact CG2-CB 4.08Å; E239-A265 WeakPolarHBondContact O-CB 3.38Å; E239-A265 PolarHBondContact O-N 2.84Å; F242-A265 HydrophobicContact CB-CB 3.81Å; A263-A265 PolarHBondContact O-N 3.09Å; A265-N267 PolarHBondContact O-N 2.88Å; A265-N267 VanDerWaalsContact O-N 3.15Å; A265-I268 PolarHBondContact O-N 2.79Å; A265-I268 VanDerWaalsContact O-N 3.12Å; A265-A269 PolarHBondContact O-N 3.46Å |
| 266 | K | 92.7 | Very high | 93.1 | Very high | 130 Ų | 130 | 43.3 Ų | 43.3 | 57% | 0.565 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -52.9 | -32.3 | 170.2 | 71.5 | -179.3 | -177.3 | -178.7 | 0 | 112.8 | P264 I268 A269 T270 | P264-K266 HydrophobicContact CB-CD 4.38Å; P264-K266 HydrophobicContact CB-CG 3.9Å; P264-K266 PolarHBondContact O-N 2.77Å; P264-K266 VanDerWaalsContact O-N 3.09Å; K266-I268 VanDerWaalsContact C-N 3.32Å; K266-I268 PolarHBondContact O-N 2.69Å; K266-A269 PolarHBondContact O-N 2.64Å; K266-T270 WeakPolarHBondContact O-CB 3.3Å; K266-T270 PolarHBondContact O-N 3.46Å; K266-T270 PolarHBondContact O-OG1 3.22Å |
| 267 | N | 93.8 | Very high | 92.6 | Very high | 65 Ų | 65 | 46 Ų | 46 | 35% | 0.348 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.2 | -38.4 | -178.8 | -63.4 | -0.3 | 0 | 0 | 0 | 111.5 | F147 P264 A265 S271 | F147-N267 HydrophobicContact CE1-CB 3.95Å; P264-N267 WeakPolarHBondContact O-CB 3.29Å; P264-N267 PolarHBondContact O-N 2.87Å; A265-N267 PolarHBondContact O-N 2.88Å; A265-N267 VanDerWaalsContact O-N 3.15Å; N267-S271 VanDerWaalsContact O-CB 3.29Å; N267-S271 WeakPolarHBondContact O-CB 3.35Å; N267-S271 PolarHBondContact O-N 2.77Å; N267-S271 VanDerWaalsContact O-N 3.08Å; N267-S271 PolarHBondContact O-OG 2.61Å |
| 268 | I | 94.6 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.9 | -48.2 | 175.2 | -55.5 | -176.9 | 0 | 0 | 0 | 109.5 | F147 V149 L201 F242 C261 A265 K266 T270 S271 L272 | F147-I268 HydrophobicContact CB-CD1 3.89Å; F147-I268 HydrophobicContact CB-CG1 4.11Å; F147-I268 HydrophobicContact CD1-CD1 4.36Å; F147-I268 HydrophobicContact CD1-CG1 3.67Å; F147-I268 HydrophobicContact CD2-CD1 4.32Å; F147-I268 HydrophobicContact CD2-CG1 3.83Å; F147-I268 HydrophobicContact CE1-CG1 3.98Å; F147-I268 HydrophobicContact CE2-CG1 4.13Å; F147-I268 HydrophobicContact CG-CD1 3.94Å; F147-I268 HydrophobicContact CG-CG1 3.59Å; F147-I268 HydrophobicContact CZ-CG1 4.2Å; V149-I268 HydrophobicContact CG1-CD1 4.01Å; L201-I268 HydrophobicContact CD1-CD1 4.36Å; L201-I268 HydrophobicContact CD2-CG2 4.08Å; F242-I268 HydrophobicContact CB-CD1 4.39Å; F242-I268 HydrophobicContact CD1-CD1 4.42Å; F242-I268 HydrophobicContact CD1-CG2 4.07Å; F242-I268 HydrophobicContact CD2-CB 4.15Å; F242-I268 HydrophobicContact CD2-CG2 4.02Å; F242-I268 HydrophobicContact CE1-CG2 3.88Å; F242-I268 HydrophobicContact CE2-CB 4.36Å; F242-I268 HydrophobicContact CE2-CG2 3.84Å; F242-I268 HydrophobicContact CG-CB 4.35Å; F242-I268 HydrophobicContact CG-CD1 4.33Å; F242-I268 HydrophobicContact CG-CG2 4.15Å; F242-I268 HydrophobicContact CZ-CG2 3.79Å; C261-I268 HydrophobicContact CB-CD1 4.49Å; C261-I268 WeakPolarHBondContact SG-CD1 3.24Å; A265-I268 PolarHBondContact O-N 2.79Å; A265-I268 VanDerWaalsContact O-N 3.12Å; K266-I268 VanDerWaalsContact C-N 3.32Å; K266-I268 PolarHBondContact O-N 2.69Å; I268-T270 PolarHBondContact O-N 3.43Å; I268-S271 PolarHBondContact O-N 3.33Å; I268-L272 HydrophobicContact CG2-CD1 4.19Å; I268-L272 PolarHBondContact O-N 3.11Å |
| 269 | A | 93.5 | Very high | 91.6 | Very high | 15 Ų | 15 | 51.6 Ų | 51.6 | 12% | 0.124 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.9 | -43.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V232 A265 K266 S271 L272 H273 | V232-A269 HydrophobicContact CG2-CB 3.73Å; A265-A269 PolarHBondContact O-N 3.46Å; K266-A269 PolarHBondContact O-N 2.64Å; A269-S271 VanDerWaalsContact C-N 3.35Å; A269-L272 PolarHBondContact O-N 2.94Å; A269-H273 WeakPolarHBondContact O-CB 3.14Å; A269-H273 PolarHBondContact O-N 3.18Å |
| 270 | T | 91.3 | Very high | 90.9 | Very high | 75 Ų | 75 | 57 Ų | 57 | 46% | 0.46 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 174.9 | -59.7 | 0 | 0 | 0 | 0 | 111.1 | K266 I268 H273 E274 | K266-T270 WeakPolarHBondContact O-CB 3.3Å; K266-T270 PolarHBondContact O-N 3.46Å; K266-T270 PolarHBondContact O-OG1 3.22Å; I268-T270 PolarHBondContact O-N 3.43Å; T270-H273 WeakPolarHBondContact O-CB 3.47Å; T270-H273 PolarHBondContact O-N 2.93Å; T270-E274 WeakPolarHBondContact O-CG 3.27Å; T270-E274 PolarHBondContact O-N 3.49Å |
| 271 | S | 93.9 | Very high | 90.1 | Very high | 11 Ų | 11 | 55.1 Ų | 55.1 | 8% | 0.077 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.3 | -41.3 | 178.7 | -63.5 | 0 | 0 | 0 | 0 | 112.8 | K145 N267 I268 A269 H273 E274 I275 | K145-S271 VanDerWaalsContact CD-OG 3.25Å; K145-S271 WeakPolarHBondContact CD-OG 3.38Å; K145-S271 PolarHBondContact NZ-OG 2.78Å; K145-S271 VanDerWaalsContact NZ-OG 3.09Å; N267-S271 VanDerWaalsContact O-CB 3.29Å; N267-S271 WeakPolarHBondContact O-CB 3.35Å; N267-S271 PolarHBondContact O-N 2.77Å; N267-S271 VanDerWaalsContact O-N 3.08Å; N267-S271 PolarHBondContact O-OG 2.61Å; I268-S271 PolarHBondContact O-N 3.33Å; A269-S271 VanDerWaalsContact C-N 3.35Å; S271-H273 VanDerWaalsContact C-N 3.33Å; S271-E274 PolarHBondContact O-N 3.41Å; S271-I275 WeakPolarHBondContact O-CG1 3.13Å; S271-I275 PolarHBondContact O-N 3.18Å; S271-I275 VanDerWaalsContact O-N 3.11Å |
| 272 | L | 93.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63 | -40.7 | 171.5 | -78.9 | 172.5 | 0 | 0 | 0 | 111.7 | L203 I224 I227 W230 F242 I268 A269 I275 C276 | L203-L272 HydrophobicContact CD1-CD2 4.12Å; L203-L272 HydrophobicContact CD1-CG 3.98Å; L203-L272 HydrophobicContact CD2-CD2 3.56Å; L203-L272 HydrophobicContact CD2-CG 4.14Å; L203-L272 HydrophobicContact CG-CD2 4.49Å; I224-L272 HydrophobicContact CD1-CD2 3.78Å; I224-L272 HydrophobicContact CG1-CD2 3.85Å; I224-L272 HydrophobicContact CG2-CD2 4.15Å; I227-L272 HydrophobicContact CD1-CD2 4.48Å; W230-L272 HydrophobicContact CD2-CD1 4.46Å; W230-L272 HydrophobicContact CG-CD1 4.33Å; W230-L272 HydrophobicContact CZ2-CB 4.43Å; F242-L272 HydrophobicContact CE1-CD1 4.39Å; F242-L272 HydrophobicContact CE2-CD1 3.91Å; F242-L272 HydrophobicContact CZ-CD1 3.4Å; I268-L272 HydrophobicContact CG2-CD1 4.19Å; I268-L272 PolarHBondContact O-N 3.11Å; A269-L272 PolarHBondContact O-N 2.94Å; L272-I275 PolarHBondContact O-N 3.3Å; L272-C276 WeakPolarHBondContact O-CB 3.45Å; L272-C276 PolarHBondContact O-N 3.15Å; L272-C276 PolarHBondContact O-SG 3.37Å; L272-C276 VanDerWaalsContact O-SG 3.37Å |
| 273 | H | 89.8 | Confident | 88.1 | Confident | 110 Ų | 110 | 56.8 Ų | 56.8 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.8 | -43.6 | 176.6 | -174.7 | 76.8 | 0 | 0 | 0 | 112.1 | W230 A269 T270 S271 C276 S277 | W230-H273 HydrophobicContact CZ2-CB 4.31Å; A269-H273 WeakPolarHBondContact O-CB 3.14Å; A269-H273 PolarHBondContact O-N 3.18Å; T270-H273 WeakPolarHBondContact O-CB 3.47Å; T270-H273 PolarHBondContact O-N 2.93Å; S271-H273 VanDerWaalsContact C-N 3.33Å; H273-C276 PolarHBondContact O-N 2.82Å; H273-S277 VanDerWaalsContact O-CB 3.24Å; H273-S277 WeakPolarHBondContact O-CB 3.49Å; H273-S277 PolarHBondContact O-N 3.46Å |
| 274 | E | 89.6 | Confident | 87 | Confident | 98 Ų | 98 | 63.9 Ų | 63.9 | 46% | 0.458 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 175.4 | -74 | 169.3 | -165.8 | 0 | 0 | 111.9 | K145 T270 S271 S277 K278 | K145-E274 IonicContact NZ-OE2 2.68Å; K145-E274 PolarHBondContact NZ-OE2 3.28Å; T270-E274 WeakPolarHBondContact O-CG 3.27Å; T270-E274 PolarHBondContact O-N 3.49Å; S271-E274 PolarHBondContact O-N 3.41Å; E274-S277 PolarHBondContact O-N 3.44Å; E274-K278 WeakPolarHBondContact O-CB 3.41Å; E274-K278 PolarHBondContact O-N 3.31Å |
| 275 | I | 90.2 | Very high | 85.4 | Confident | 33 Ų | 33 | 66.3 Ų | 66.3 | 17% | 0.169 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 178.1 | -63.6 | 164.1 | 0 | 0 | 0 | 110.5 | L203 E206 I224 S271 L272 S277 K278 I279 | L203-I275 HydrophobicContact CB-CD1 3.72Å; L203-I275 HydrophobicContact CD1-CD1 4.09Å; L203-I275 HydrophobicContact CG-CD1 4.43Å; E206-I275 HydrophobicContact CG-CG2 4.5Å; I224-I275 HydrophobicContact CD1-CB 4.23Å; I224-I275 HydrophobicContact CD1-CD1 3.84Å; I224-I275 HydrophobicContact CD1-CG2 3.66Å; I224-I275 HydrophobicContact CG2-CG2 4.48Å; S271-I275 WeakPolarHBondContact O-CG1 3.13Å; S271-I275 PolarHBondContact O-N 3.18Å; S271-I275 VanDerWaalsContact O-N 3.11Å; L272-I275 PolarHBondContact O-N 3.3Å; I275-S277 VanDerWaalsContact C-N 3.31Å; I275-S277 PolarHBondContact O-N 2.99Å; I275-K278 WeakPolarHBondContact O-CB 3.2Å; I275-K278 PolarHBondContact O-N 2.88Å; I275-I279 HydrophobicContact CG2-CD1 3.78Å; I275-I279 HydrophobicContact CG2-CG1 4.41Å; I275-I279 VanDerWaalsContact O-CG1 3.26Å; I275-I279 WeakPolarHBondContact O-CG1 3.25Å; I275-I279 PolarHBondContact O-N 2.68Å |
| 276 | C | 86.5 | Confident | 83.6 | Confident | 19 Ų | 19 | 69.1 Ų | 69.1 | 13% | 0.128 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 174.8 | -77.6 | 0 | 0 | 0 | 0 | 112.3 | I224 W230 L272 H273 I279 M280 | I224-C276 WeakPolarHBondContact CG2-SG 3.32Å; W230-C276 HydrophobicContact CH2-CB 4.08Å; W230-C276 VanDerWaalsContact CH2-SG 3.52Å; L272-C276 WeakPolarHBondContact O-CB 3.45Å; L272-C276 PolarHBondContact O-N 3.15Å; L272-C276 PolarHBondContact O-SG 3.37Å; L272-C276 VanDerWaalsContact O-SG 3.37Å; H273-C276 PolarHBondContact O-N 2.82Å; C276-I279 PolarHBondContact O-N 3.32Å; C276-M280 HydrophobicContact CB-CE 4.42Å; C276-M280 WeakPolarHBondContact O-CB 3.42Å; C276-M280 WeakPolarHBondContact O-CE 3.45Å; C276-M280 VanDerWaalsContact O-CG 3.26Å; C276-M280 WeakPolarHBondContact O-CG 3.47Å; C276-M280 PolarHBondContact O-N 2.96Å |
| 277 | S | 86.9 | Confident | 81.6 | Confident | 58 Ų | 58 | 70.6 Ų | 70.6 | 41% | 0.406 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.4 | -171.6 | 0 | 0 | 0 | 0 | 111.3 | H273 E274 I275 M280 S281 | H273-S277 VanDerWaalsContact O-CB 3.24Å; H273-S277 WeakPolarHBondContact O-CB 3.49Å; H273-S277 PolarHBondContact O-N 3.46Å; E274-S277 PolarHBondContact O-N 3.44Å; I275-S277 VanDerWaalsContact C-N 3.31Å; I275-S277 PolarHBondContact O-N 2.99Å; S277-M280 PolarHBondContact O-N 3.24Å; S277-S281 WeakPolarHBondContact O-CB 3.3Å; S277-S281 PolarHBondContact O-N 3.02Å; S277-S281 PolarHBondContact O-OG 2.8Å |
| 278 | K | 86.3 | Confident | 79.3 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 52% | 0.522 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -57.9 | -52.9 | 173.7 | -175.9 | 179.2 | 171.9 | -174 | 0 | 111 | E274 I275 M280 S281 E282 | E274-K278 WeakPolarHBondContact O-CB 3.41Å; E274-K278 PolarHBondContact O-N 3.31Å; I275-K278 WeakPolarHBondContact O-CB 3.2Å; I275-K278 PolarHBondContact O-N 2.88Å; K278-M280 VanDerWaalsContact C-N 3.3Å; K278-M280 PolarHBondContact O-N 3.27Å; K278-S281 PolarHBondContact O-N 2.68Å; K278-S281 PolarHBondContact O-OG 2.77Å; K278-E282 WeakPolarHBondContact CE-OE1 3.35Å; K278-E282 HydrophobicContact CG-CG 4.38Å; K278-E282 IonicContact NZ-OE1 3.43Å; K278-E282 WeakPolarHBondContact O-CG 3.46Å; K278-E282 PolarHBondContact O-N 3.23Å |
| 279 | I | 84.6 | Confident | 76.9 | Confident | 8 Ų | 8 | 78.4 Ų | 78.4 | 4% | 0.041 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -54.4 | -45.9 | 176.2 | -67.4 | 162.4 | 0 | 0 | 0 | 111 | E206 I224 V225 I275 C276 R283 | E206-I279 HydrophobicContact CB-CD1 4.02Å; E206-I279 VanDerWaalsContact CD-CG1 3.46Å; E206-I279 HydrophobicContact CG-CD1 3.98Å; E206-I279 HydrophobicContact CG-CG1 4.02Å; E206-I279 VanDerWaalsContact OE1-CG1 3.29Å; E206-I279 WeakPolarHBondContact OE1-CG1 3.45Å; I224-I279 HydrophobicContact CG2-CD1 4.44Å; V225-I279 HydrophobicContact CG1-CD1 3.93Å; V225-I279 HydrophobicContact CG1-CG2 4.03Å; I275-I279 HydrophobicContact CG2-CD1 3.78Å; I275-I279 HydrophobicContact CG2-CG1 4.41Å; I275-I279 VanDerWaalsContact O-CG1 3.26Å; I275-I279 WeakPolarHBondContact O-CG1 3.25Å; I275-I279 PolarHBondContact O-N 2.68Å; C276-I279 PolarHBondContact O-N 3.32Å; I279-R283 WeakPolarHBondContact O-CB 2.9Å; I279-R283 WeakPolarHBondContact O-CG 3.04Å; I279-R283 PolarHBondContact O-N 3.08Å |
| 280 | M | 81.5 | Confident | 74.6 | Confident | 115 Ų | 115 | 83.3 Ų | 83.3 | 57% | 0.567 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -65.3 | -39.6 | 178.5 | -75.3 | -172.6 | -71.9 | 0 | 0 | 112.4 | C276 S277 K278 R284 | C276-M280 HydrophobicContact CB-CE 4.42Å; C276-M280 WeakPolarHBondContact O-CB 3.42Å; C276-M280 WeakPolarHBondContact O-CE 3.45Å; C276-M280 VanDerWaalsContact O-CG 3.26Å; C276-M280 WeakPolarHBondContact O-CG 3.47Å; C276-M280 PolarHBondContact O-N 2.96Å; S277-M280 PolarHBondContact O-N 3.24Å; K278-M280 VanDerWaalsContact C-N 3.3Å; K278-M280 PolarHBondContact O-N 3.27Å; M280-R284 WeakPolarHBondContact O-CB 3.41Å; M280-R284 PolarHBondContact O-N 3.2Å |
| 281 | S | 76.9 | Confident | 72.2 | Confident | 53 Ų | 53 | 86.5 Ų | 86.5 | 37% | 0.371 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -70.4 | -40.4 | 178.4 | 75.3 | 0 | 0 | 0 | 0 | 112.5 | S277 K278 R284 N285 | S277-S281 WeakPolarHBondContact O-CB 3.3Å; S277-S281 PolarHBondContact O-N 3.02Å; S277-S281 PolarHBondContact O-OG 2.8Å; K278-S281 PolarHBondContact O-N 2.68Å; K278-S281 PolarHBondContact O-OG 2.77Å; S281-R284 CarbonylContact O-C 3.57Å; S281-R284 WeakPolarHBondContact O-CB 3.3Å; S281-R284 PolarHBondContact O-N 3.25Å; S281-R284 VanDerWaalsContact O-N 3.13Å; S281-N285 WeakPolarHBondContact O-CB 3.47Å; S281-N285 VanDerWaalsContact O-CG 3.27Å; S281-N285 PolarHBondContact O-N 3.08Å |
| 282 | E | 76.4 | Confident | 69.4 | Low | 87 Ų | 87 | 88.6 Ų | 88.6 | 41% | 0.407 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 176.5 | -73 | 177.8 | 174.1 | 0 | 0 | 110.5 | K278 R284 N285 A286 | K278-E282 WeakPolarHBondContact CE-OE1 3.35Å; K278-E282 HydrophobicContact CG-CG 4.38Å; K278-E282 IonicContact NZ-OE1 3.43Å; K278-E282 WeakPolarHBondContact O-CG 3.46Å; K278-E282 PolarHBondContact O-N 3.23Å; E282-R284 VanDerWaalsContact C-N 3.3Å; E282-R284 PolarHBondContact O-N 2.94Å; E282-N285 PolarHBondContact O-N 3.42Å; E282-A286 VanDerWaalsContact O-CB 3.24Å; E282-A286 WeakPolarHBondContact O-CB 3.08Å; E282-A286 PolarHBondContact O-N 2.91Å |
| 283 | R | 68.9 | Low | 66.7 | Low | 108 Ų | 108 | 95.5 Ų | 95.5 | 41% | 0.408 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.7 | -37.5 | 169.8 | -74 | 173.5 | -178.3 | -169.1 | 1 | 112.5 | I279 R287 | I279-R283 WeakPolarHBondContact O-CB 2.9Å; I279-R283 WeakPolarHBondContact O-CG 3.04Å; I279-R283 PolarHBondContact O-N 3.08Å; R283-R287 WeakPolarHBondContact O-CG 3.42Å; R283-R287 PolarHBondContact O-N 3.3Å; R283-R287 PolarHBondContact O-NE 2.87Å |
| 284 | R | 68.3 | Low | 64.7 | Low | 186 Ų | 186 | 96.2 Ų | 96.2 | 70% | 0.702 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -69.4 | -42 | 175.9 | -176.7 | 179.3 | -179.8 | 169.2 | -0.6 | 111.6 | M280 S281 E282 R287 C288 | M280-R284 WeakPolarHBondContact O-CB 3.41Å; M280-R284 PolarHBondContact O-N 3.2Å; S281-R284 CarbonylContact O-C 3.57Å; S281-R284 WeakPolarHBondContact O-CB 3.3Å; S281-R284 PolarHBondContact O-N 3.25Å; S281-R284 VanDerWaalsContact O-N 3.13Å; E282-R284 VanDerWaalsContact C-N 3.3Å; E282-R284 PolarHBondContact O-N 2.94Å; R284-R287 PolarHBondContact O-N 3.39Å; R284-C288 PolarHBondContact O-N 3.13Å |
| 285 | N | 60.7 | Low | 62.2 | Low | 101 Ų | 101 | 98.2 Ų | 98.2 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.7 | -39.9 | -179.4 | -70.4 | -10.3 | 0 | 0 | 0 | 111.9 | S281 E282 R287 C288 L289 | S281-N285 WeakPolarHBondContact O-CB 3.47Å; S281-N285 VanDerWaalsContact O-CG 3.27Å; S281-N285 PolarHBondContact O-N 3.08Å; E282-N285 PolarHBondContact O-N 3.42Å; N285-R287 VanDerWaalsContact C-N 3.32Å; N285-R287 PolarHBondContact O-N 3.01Å; N285-C288 CarbonylContact O-C 3.39Å; N285-C288 WeakPolarHBondContact O-CA 3.07Å; N285-C288 WeakPolarHBondContact O-CB 3.47Å; N285-C288 PolarHBondContact O-N 3.1Å; N285-L289 PolarHBondContact O-N 3.45Å |
| 286 | A | 56.2 | Low | 59.6 | Low | 58 Ų | 58 | 103.5 Ų | 103.5 | 48% | 0.479 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -60 | -41.3 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | E282 C288 L289 V290 | E282-A286 VanDerWaalsContact O-CB 3.24Å; E282-A286 WeakPolarHBondContact O-CB 3.08Å; E282-A286 PolarHBondContact O-N 2.91Å; A286-C288 VanDerWaalsContact C-N 3.3Å; A286-C288 PolarHBondContact O-N 3.33Å; A286-L289 PolarHBondContact O-N 3.32Å; A286-V290 VanDerWaalsContact O-CG2 3.3Å; A286-V290 WeakPolarHBondContact O-CG2 3.13Å; A286-V290 PolarHBondContact O-N 2.98Å; A286-V290 VanDerWaalsContact O-N 3.15Å |
| 287 | R | 51.3 | Low | 57.2 | Low | 162 Ų | 162 | 111.9 Ų | 111.9 | 61% | 0.611 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -65.2 | -30.6 | 171.9 | -70 | 173.9 | -150.7 | 154.6 | 2 | 113.2 | R283 R284 N285 N291 | R283-R287 WeakPolarHBondContact O-CG 3.42Å; R283-R287 PolarHBondContact O-N 3.3Å; R283-R287 PolarHBondContact O-NE 2.87Å; R284-R287 PolarHBondContact O-N 3.39Å; N285-R287 VanDerWaalsContact C-N 3.32Å; N285-R287 PolarHBondContact O-N 3.01Å; R287-N291 PolarHBondContact O-N 2.97Å |
| 288 | C | 44.5 | Very low | 55 | Low | 86 Ų | 86 | 113.1 Ų | 113.1 | 58% | 0.581 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74.8 | -36.8 | 177.2 | -147.8 | 0 | 0 | 0 | 0 | 111.8 | R284 N285 A286 V290 N291 G292 | R284-C288 PolarHBondContact O-N 3.13Å; N285-C288 CarbonylContact O-C 3.39Å; N285-C288 WeakPolarHBondContact O-CA 3.07Å; N285-C288 WeakPolarHBondContact O-CB 3.47Å; N285-C288 PolarHBondContact O-N 3.1Å; A286-C288 VanDerWaalsContact C-N 3.3Å; A286-C288 PolarHBondContact O-N 3.33Å; C288-V290 VanDerWaalsContact C-N 3.31Å; C288-V290 PolarHBondContact O-N 3.21Å; C288-N291 CarbonylContact O-C 3.55Å; C288-N291 PolarHBondContact O-N 2.98Å; C288-G292 PolarHBondContact O-N 3.17Å |
| 289 | L | 45.3 | Very low | 52.6 | Low | 144 Ų | 144 | 117.1 Ų | 117.1 | 75% | 0.754 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.2 | -36.2 | 174.3 | -134.4 | 85.7 | 0 | 0 | 0 | 111.7 | N285 A286 | N285-L289 PolarHBondContact O-N 3.45Å; A286-L289 PolarHBondContact O-N 3.32Å |
| 290 | V | 44.3 | Very low | 50.3 | Low | 118 Ų | 118 | 124.9 Ų | 124.9 | 72% | 0.715 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.8 | -29.3 | 175.3 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | A286 C288 | A286-V290 VanDerWaalsContact O-CG2 3.3Å; A286-V290 WeakPolarHBondContact O-CG2 3.13Å; A286-V290 PolarHBondContact O-N 2.98Å; A286-V290 VanDerWaalsContact O-N 3.15Å; C288-V290 VanDerWaalsContact C-N 3.31Å; C288-V290 PolarHBondContact O-N 3.21Å |
| 291 | N | 40.9 | Very low | 48.1 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 75% | 0.754 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -92.8 | -3.3 | 177.7 | -74.1 | 3.6 | 0 | 0 | 0 | 114.1 | R287 C288 | R287-N291 PolarHBondContact O-N 2.97Å; C288-N291 CarbonylContact O-C 3.55Å; C288-N291 PolarHBondContact O-N 2.98Å |
| 292 | G | 34.3 | Very low | 46.5 | Very low | 56 Ų | 56 | 129.5 Ų | 129.5 | 58% | 0.577 | 69% | 0.687 | S | S | * | * | trans | -94.9 | -6.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | C288 S294 | C288-G292 PolarHBondContact O-N 3.17Å; G292-S294 PolarHBondContact O-N 3.02Å; G292-S294 VanDerWaalsContact O-N 3.17Å | ||
| 293 | L | 37.4 | Very low | 44.4 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 76% | 0.759 | 71% | 0.705 | S | S | * | * | trans | -88.6 | 79.8 | 174.2 | -63.9 | 179.1 | 0 | 0 | 0 | 110.1 | L295 | L293-L295 VanDerWaalsContact C-N 3.27Å; L293-L295 PolarHBondContact O-N 2.82Å | ||
| 294 | S | 47.1 | Very low | 43.4 | Very low | 125 Ų | 125 | 131 Ų | 131 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -68.9 | 97.3 | 142.7 | 179.8 | 0 | 0 | 0 | 0 | 105.9 | G292 | G292-S294 PolarHBondContact O-N 3.02Å; G292-S294 VanDerWaalsContact O-N 3.17Å | ||
| 295 | L | 36.8 | Very low | 41.5 | Very low | 139 Ų | 139 | 131.4 Ų | 131.4 | 73% | 0.728 | 72% | 0.724 | S | S | * | * | trans | -138.8 | 121.1 | 168.5 | -159.6 | 68.8 | 0 | 0 | 0 | 110.9 | L293 | L293-L295 VanDerWaalsContact C-N 3.27Å; L293-L295 PolarHBondContact O-N 2.82Å | ||
| 296 | D | 36.1 | Very low | 40.5 | Very low | 144 Ų | 144 | 135.9 Ų | 135.9 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | trans | -27.8 | 124.5 | 167.5 | -133.2 | -18.8 | 0 | 0 | 0 | 114.3 | S298 | D296-S298 VanDerWaalsContact C-N 3.27Å; D296-S298 PolarHBondContact O-N 3.48Å | ||
| 297 | H | 37.1 | Very low | 39.5 | Very low | 195 Ų | 195 | 137.8 Ų | 137.8 | 90% | 0.903 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -77.9 | 74.3 | 174.6 | -96.3 | -74.2 | 0 | 0 | 0 | 110.1 | ||
| 298 | S | 39.5 | Very low | 38.7 | Very low | 84 Ų | 84 | 139 Ų | 139 | 59% | 0.587 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -166.2 | 115.7 | 154.5 | 32 | 0 | 0 | 0 | 0 | 111.9 | D296 | D296-S298 VanDerWaalsContact C-N 3.27Å; D296-S298 PolarHBondContact O-N 3.48Å |
| 299 | K | 37.4 | Very low | 37.9 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 89% | 0.891 | 77% | 0.77 | S | S | * | * | trans | 82.1 | 99.8 | 171.9 | -46.7 | 171.7 | -174.7 | -179.2 | 0 | 114.6 | ||||
| 300 | L | 35.4 | Very low | 37.4 | Very low | 171 Ų | 171 | 142.2 Ų | 142.2 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | -175.1 | 144.7 | 104.6 | -158.8 | 65.2 | 0 | 0 | 0 | 111.6 | |||||
| 301 | V | 34.4 | Very low | 37 | Very low | 125 Ų | 125 | 140 Ų | 140 | 76% | 0.758 | 76% | 0.764 | S | S | * | * | trans | -41 | 133.6 | 176.4 | -177.9 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 302 | D | 44.4 | Very low | 36.7 | Very low | 139 Ų | 139 | 137 Ų | 137 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | 1.9 | 120.1 | 144.8 | -154.7 | 15.6 | 0 | 0 | 0 | 119.9 | ||||
| 303 | V | 32.3 | Very low | 37.1 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 78% | 0.782 | 76% | 0.76 | S | S | * | * | trans | -149 | 133.3 | 143.3 | -176.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 304 | P | 47.1 | Very low | 37.3 | Very low | 99 Ų | 99 | 140.2 Ų | 140.2 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | trans | -93.1 | 136.6 | -168.9 | 35.6 | -32.4 | 0 | 0 | 0 | 112.7 | ||||
| 305 | F | 29.2 | Very low | 37.6 | Very low | 194 Ų | 194 | 139.9 Ų | 139.9 | 85% | 0.851 | 73% | 0.733 | S | S | * | * | trans | -146.2 | 82.2 | 158.3 | -103 | -84.3 | 0 | 0 | 0 | 110.2 | V307 | F305-V307 HydrophobicContact CD1-CG2 4.3Å; F305-V307 PolarHBondContact O-N 3.38Å | ||
| 306 | Q | 39.8 | Very low | 38.7 | Very low | 194 Ų | 194 | 140.5 Ų | 140.5 | 91% | 0.907 | 74% | 0.736 | S | S | * | * | trans | -80.2 | 96.8 | 156.5 | -80.5 | -180 | -32.2 | 0 | 0 | 108 | ||||
| 307 | V | 35.2 | Very low | 40.7 | Very low | 98 Ų | 98 | 136 Ų | 136 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | trans | -131.8 | 86.5 | 150 | -169.9 | 0 | 0 | 0 | 0 | 106 | F305 F309 | F305-V307 HydrophobicContact CD1-CG2 4.3Å; F305-V307 PolarHBondContact O-N 3.38Å; V307-F309 HydrophobicContact CG1-CD2 4.07Å; V307-F309 HydrophobicContact CG1-CE2 4.01Å; V307-F309 PolarHBondContact O-N 3.25Å | ||
| 308 | E | 34.2 | Very low | 43.2 | Very low | 189 Ų | 189 | 131.5 Ų | 131.5 | 88% | 0.883 | 69% | 0.693 | S | S | * | * | trans | -69.8 | 98 | 173.4 | -166.2 | 172.5 | -173.8 | 0 | 0 | 108 | P310 | E308-P310 WeakPolarHBondContact O-CD 3.32Š| ||
| 309 | F | 28.3 | Very low | 45.7 | Very low | 181 Ų | 181 | 132.3 Ų | 132.3 | 79% | 0.794 | 69% | 0.686 | S | S | * | * | trans | -68.8 | 121.7 | 173.3 | -98.9 | -93.7 | 0 | 0 | 0 | 108.9 | V307 A311 | V307-F309 HydrophobicContact CG1-CD2 4.07Å; V307-F309 HydrophobicContact CG1-CE2 4.01Å; V307-F309 PolarHBondContact O-N 3.25Å; F309-A311 PolarHBondContact O-N 3.48Å | ||
| 310 | P | 34.8 | Very low | 48.4 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 75% | 0.747 | 65% | 0.651 | S | S | * | * | trans | -68.7 | 105.1 | -179.7 | 26.5 | -30.3 | 0 | 0 | 0 | 108.7 | E308 | E308-P310 WeakPolarHBondContact O-CD 3.32Š| ||
| 311 | A | 36.2 | Very low | 51.3 | Low | 73 Ų | 73 | 122.5 Ų | 122.5 | 60% | 0.603 | 64% | 0.639 | S | S | * | * | trans | -54.5 | 143.6 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | F309 K313 | F309-A311 PolarHBondContact O-N 3.48Å; A311-K313 PolarHBondContact O-N 3.4Å | ||
| 312 | P | 34.1 | Very low | 54.3 | Low | 76 Ų | 76 | 116.8 Ų | 116.8 | 49% | 0.494 | 60% | 0.604 | S | S | . | * | trans | -59.4 | 102.4 | 173.2 | -17.6 | 29.1 | 0 | 0 | 0 | 109.1 | V225 N314 | V225-P312 HydrophobicContact CG2-CG 4.12Å; P312-N314 PolarHBondContact O-N 2.69Å | ||
| 313 | K | 41.6 | Very low | 56.8 | Low | 172 Ų | 172 | 114.2 Ų | 114.2 | 75% | 0.748 | 58% | 0.584 | S | S | * | * | trans | -73.2 | 74 | 173.7 | -70 | 174 | 179.5 | 169.3 | 0 | 108.5 | A311 | A311-K313 PolarHBondContact O-N 3.4Š| ||
| 314 | N | 42.3 | Very low | 59.8 | Low | 97 Ų | 97 | 108.9 Ų | 108.9 | 52% | 0.519 | 55% | 0.55 | S | S | . | * | trans | -115 | 28.6 | 161.1 | -160.4 | 28.7 | 0 | 0 | 0 | 110.8 | P312 | P312-N314 PolarHBondContact O-N 2.69Š| ||
| 315 | E | 53.7 | Low | 62.1 | Low | 118 Ų | 118 | 105.1 Ų | 105.1 | 55% | 0.551 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -84.3 | 134.7 | 149.9 | -69.2 | -173.3 | 170.9 | 0 | 0 | 105.7 | V317 | E315-V317 HydrophobicContact CB-CG2 3.83Å; E315-V317 WeakPolarHBondContact O-CG2 3.44Å; E315-V317 PolarHBondContact O-N 2.65Å |
| 316 | L | 59.9 | Low | 65.2 | Low | 152 Ų | 152 | 96.8 Ų | 96.8 | 80% | 0.796 | 49% | 0.493 | S | S | * | . | trans | -64.9 | 76.9 | 171.8 | -72.7 | 159.6 | 0 | 0 | 0 | 108 | Q318 | L316-Q318 PolarHBondContact O-N 2.8Š| ||
| 317 | V | 78.6 | Confident | 67.7 | Low | 51 Ų | 51 | 91.6 Ų | 91.6 | 31% | 0.309 | 47% | 0.472 | S | S | . | . | trans | -87.7 | 106 | 179.8 | 179.1 | 0 | 0 | 0 | 0 | 106.9 | E315 S361 V362 A363 | E315-V317 HydrophobicContact CB-CG2 3.83Å; E315-V317 WeakPolarHBondContact O-CG2 3.44Å; E315-V317 PolarHBondContact O-N 2.65Å; V317-S361 WeakPolarHBondContact CG1-OG 3.29Å; V317-V362 WeakPolarHBondContact CA-O 3.41Å; V317-A363 HydrophobicContact CG2-CB 4.05Å | ||
| 318 | Q | 88.3 | Confident | 70.6 | Confident | 99 Ų | 99 | 88.9 Ų | 88.9 | 46% | 0.463 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 129.4 | 175.9 | -63.9 | 179.9 | 71.5 | 0 | 0 | 108.8 | L316 F320 S361 V362 | L316-Q318 PolarHBondContact O-N 2.8Å; Q318-F320 HydrophobicContact CB-CD2 4.42Å; Q318-F320 HydrophobicContact CB-CE2 3.45Å; Q318-F320 VanDerWaalsContact CB-CE2 3.45Å; Q318-F320 HydrophobicContact CB-CZ 3.68Å; Q318-S361 CarbonylContact O-C 3.6Å; Q318-S361 WeakPolarHBondContact O-CA 3.31Å; Q318-V362 PolarHBondContact N-O 3Å; Q318-V362 VanDerWaalsContact N-O 3.13Å; Q318-V362 PolarHBondContact O-N 3.3Å |
| 319 | K | 92.8 | Very high | 73.4 | Confident | 102 Ų | 102 | 85.3 Ų | 85.3 | 44% | 0.443 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.7 | 176.9 | -74.4 | -170.3 | 172.3 | -165.4 | 0 | 109.7 | V360 E375 | K319-V360 WeakPolarHBondContact CA-O 3.37Å; K319-E375 IonicContact NZ-OE1 3.79Å |
| 320 | F | 94.7 | Very high | 76.6 | Confident | 35 Ų | 35 | 77.6 Ų | 77.6 | 15% | 0.154 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 131.1 | 179.9 | -59.6 | -86.1 | 0 | 0 | 0 | 110.5 | Q318 H359 V360 V362 L423 A426 | Q318-F320 HydrophobicContact CB-CD2 4.42Å; Q318-F320 HydrophobicContact CB-CE2 3.45Å; Q318-F320 VanDerWaalsContact CB-CE2 3.45Å; Q318-F320 HydrophobicContact CB-CZ 3.68Å; F320-H359 CarbonylContact O-C 3.57Å; F320-H359 WeakPolarHBondContact O-CA 3.49Å; F320-V360 PolarHBondContact N-O 3.48Å; F320-V360 PolarHBondContact O-N 2.83Å; F320-V362 HydrophobicContact CD2-CG2 3.86Å; F320-V362 HydrophobicContact CE2-CB 4.24Å; F320-V362 HydrophobicContact CE2-CG2 3.73Å; F320-L423 HydrophobicContact CB-CD1 4.12Å; F320-L423 HydrophobicContact CD1-CB 4.46Å; F320-L423 HydrophobicContact CD2-CD1 3.63Å; F320-L423 HydrophobicContact CE2-CD1 4.26Å; F320-L423 HydrophobicContact CG-CB 4.34Å; F320-L423 HydrophobicContact CG-CD1 3.91Å; F320-A426 HydrophobicContact CE1-CB 4.45Å; F320-A426 HydrophobicContact CE2-CB 3.5Å; F320-A426 VanDerWaalsContact CE2-CB 3.5Å; F320-A426 HydrophobicContact CZ-CB 3.37Å |
| 321 | Q | 95.7 | Very high | 79.2 | Confident | 135 Ų | 135 | 76.7 Ų | 76.7 | 63% | 0.631 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 125 | 172.3 | -74.9 | -179 | 4.1 | 0 | 0 | 109.8 | H359 | Q321-H359 WeakPolarHBondContact CG-CD2 3.27Å; Q321-H359 WeakPolarHBondContact CG-NE2 3.26Å |
| 322 | V | 96.4 | Very high | 81.8 | Confident | 5 Ų | 5 | 78.8 Ų | 78.8 | 3% | 0.03 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 168.9 | -179.3 | -63.2 | 0 | 0 | 0 | 0 | 110.5 | S358 V360 F414 W415 C416 L423 | V322-S358 PolarHBondContact N-O 3.49Å; V322-S358 CarbonylContact O-C 3.59Å; V322-S358 WeakPolarHBondContact O-CA 3.47Å; V322-S358 PolarHBondContact O-N 3.02Å; V322-V360 HydrophobicContact CG2-CG2 3.63Å; V322-F414 HydrophobicContact CB-CB 4.49Å; V322-F414 HydrophobicContact CG2-CD1 3.88Å; V322-W415 CarbonylContact C-O 3.57Å; V322-W415 WeakPolarHBondContact CA-O 3.5Å; V322-W415 WeakPolarHBondContact CB-O 3.4Å; V322-C416 HydrophobicContact CG1-CB 4.3Å; V322-L423 HydrophobicContact CG1-CD2 3.83Å |
| 323 | Y | 96.6 | Very high | 84.3 | Confident | 85 Ų | 85 | 76.2 Ų | 76.2 | 33% | 0.333 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 126 | 162.2 | -61.5 | -97.7 | 0 | 0 | 0 | 108.9 | W355 P357 F414 W415 | Y323-W355 HydrophobicContact CD1-CB 4.28Å; Y323-W355 HydrophobicContact CG-CB 4.46Å; Y323-P357 HydrophobicContact CD1-CB 4.25Å; Y323-P357 HydrophobicContact CD1-CG 4.19Å; Y323-P357 HydrophobicContact CE1-CB 4.12Å; Y323-P357 HydrophobicContact CE1-CG 4Å; Y323-F414 WeakPolarHBondContact O-CA 3.23Å; Y323-W415 PolarHBondContact N-O 2.86Å; Y323-W415 PolarHBondContact O-N 3.46Å |
| 324 | Y | 96.4 | Very high | 86.6 | Confident | 16 Ų | 16 | 70.3 Ų | 70.3 | 6% | 0.063 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 119.8 | 175.2 | -174.9 | -129.9 | 0 | 0 | 0 | 109.5 | G326 N327 T356 S358 I369 L378 H412 M413 F414 | Y324-G326 WeakPolarHBondContact CE2-O 3.38Å; Y324-G326 VanDerWaalsContact CZ-CA 3.47Å; Y324-G326 PolarHBondContact OH-O 2.81Å; Y324-N327 WeakPolarHBondContact OH-CB 3.44Å; Y324-N327 PolarHBondContact OH-N 2.82Å; Y324-N327 PolarHBondContact OH-ND2 3.39Å; Y324-T356 PolarHBondContact N-O 3.43Å; Y324-T356 PolarHBondContact O-N 3.11Å; Y324-T356 VanDerWaalsContact O-N 3.09Å; Y324-S358 VanDerWaalsContact CB-OG 3.32Å; Y324-S358 WeakPolarHBondContact CB-OG 3.47Å; Y324-I369 HydrophobicContact CD1-CG2 4.3Å; Y324-I369 HydrophobicContact CD2-CD1 4.3Å; Y324-I369 HydrophobicContact CD2-CG2 4.16Å; Y324-I369 HydrophobicContact CE2-CD1 3.81Å; Y324-I369 HydrophobicContact CG-CG2 4Å; Y324-L378 HydrophobicContact CD1-CB 4.45Å; Y324-L378 HydrophobicContact CD1-CD1 4.2Å; Y324-H412 HydrophobicContact CE2-CB 4.44Å; Y324-H412 AromaticContact CZ-ND1 3.92Å; Y324-H412 PolarHBondContact OH-ND1 3.08Å; Y324-H412 VanDerWaalsContact OH-ND1 3.08Å; Y324-M413 WeakPolarHBondContact CD2-O 3.44Å; Y324-F414 AromaticContact CD2-CD1 3.73Å; Y324-F414 HydrophobicContact CD2-CD1 3.73Å; Y324-F414 AromaticContact CD2-CE1 3.41Å; Y324-F414 HydrophobicContact CD2-CE1 3.41Å; Y324-F414 VanDerWaalsContact CD2-CE1 3.41Å; Y324-F414 HydrophobicContact CD2-CZ 4.06Å; Y324-F414 HydrophobicContact CE2-CD1 4.48Å; Y324-F414 AromaticContact CE2-CE1 3.86Å; Y324-F414 HydrophobicContact CE2-CE1 3.86Å; Y324-F414 HydrophobicContact CE2-CZ 4.04Å; Y324-F414 HydrophobicContact CG-CE1 4.41Å |
| 325 | L | 95.3 | Very high | 88.7 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 11% | 0.105 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | -16.4 | -179 | -62.9 | 166 | 0 | 0 | 0 | 111.6 | L343 V346 L347 W355 M413 W415 | L325-L343 HydrophobicContact CD1-CD2 3.98Å; L325-V346 HydrophobicContact CB-CG1 4.02Å; L325-L347 HydrophobicContact CD2-CD2 4.29Å; L325-W355 HydrophobicContact CD2-CB 4.41Å; L325-W355 HydrophobicContact CD2-CD2 3.36Å; L325-W355 HydrophobicContact CD2-CE3 3.95Å; L325-W355 HydrophobicContact CD2-CG 3.58Å; L325-W355 HydrophobicContact CD2-CH2 4.41Å; L325-W355 HydrophobicContact CD2-CZ2 3.9Å; L325-W355 HydrophobicContact CD2-CZ3 4.44Å; L325-M413 HydrophobicContact CB-CB 3.9Å; L325-M413 WeakPolarHBondContact CB-O 3.37Å; L325-M413 HydrophobicContact CD1-CB 4Å; L325-M413 PolarHBondContact N-O 2.91Å; L325-W415 HydrophobicContact CD1-CB 4.43Å |
| 326 | G | 93.4 | Very high | 90.4 | Very high | 19 Ų | 19 | 63.7 Ų | 63.7 | 20% | 0.196 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 114 | -164.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y324 M413 | Y324-G326 WeakPolarHBondContact CE2-O 3.38Å; Y324-G326 VanDerWaalsContact CZ-CA 3.47Å; Y324-G326 PolarHBondContact OH-O 2.81Å; G326-M413 PolarHBondContact O-N 2.98Å; G326-M413 VanDerWaalsContact O-N 3.08Å |
| 327 | N | 94 | Very high | 91.9 | Very high | 85 Ų | 85 | 61.3 Ų | 61.3 | 46% | 0.455 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 148.3 | 174.9 | 64.8 | 89.9 | 0 | 0 | 0 | 111.2 | Y324 C410 C411 | Y324-N327 WeakPolarHBondContact OH-CB 3.44Å; Y324-N327 PolarHBondContact OH-N 2.82Å; Y324-N327 PolarHBondContact OH-ND2 3.39Å; N327-C410 VanDerWaalsContact CB-SG 3.57Å; N327-C410 PolarHBondContact OD1-SG 3.28Å; N327-C411 CarbonylContact C-O 3.47Å; N327-C411 WeakPolarHBondContact CA-O 3.27Å; N327-C411 WeakPolarHBondContact CB-O 3.38Å |
| 328 | V | 94.4 | Very high | 92.5 | Very high | 41 Ų | 41 | 60.1 Ų | 60.1 | 25% | 0.248 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 143 | 179.6 | -64.4 | 0 | 0 | 0 | 0 | 110.9 | V330 A342 V346 C410 C411 M413 | V328-V330 HydrophobicContact CG2-CG1 4.37Å; V328-A342 HydrophobicContact CG2-CB 3.62Å; V328-V346 HydrophobicContact CG1-CG2 4.3Å; V328-C410 WeakPolarHBondContact O-CA 3.37Å; V328-C411 HydrophobicContact CG2-CB 4.17Å; V328-C411 PolarHBondContact N-O 2.9Å; V328-C411 PolarHBondContact O-N 3.01Å; V328-M413 HydrophobicContact CB-CE 4.32Å; V328-M413 HydrophobicContact CG1-CE 3.9Å; V328-M413 HydrophobicContact CG2-CE 3.7Å; V328-M413 HydrophobicContact CG2-SD 4.39Å |
| 329 | P | 94.4 | Very high | 92.8 | Very high | 114 Ų | 114 | 55.4 Ų | 55.4 | 74% | 0.74 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 140.1 | 173.3 | 28.6 | -33.8 | 0 | 0 | 0 | 110.4 | F409 | P329-F409 CarbonylContact C-O 3.6Å; P329-F409 WeakPolarHBondContact CA-O 3.26Å |
| 330 | V | 95 | Very high | 92.9 | Very high | 20 Ų | 20 | 51.1 Ų | 51.1 | 12% | 0.121 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 146.8 | 178.3 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | V328 K332 V338 I401 F409 C411 | V328-V330 HydrophobicContact CG2-CG1 4.37Å; V330-K332 WeakPolarHBondContact CG2-O 3.48Å; V330-V338 HydrophobicContact CB-CG1 3.69Å; V330-V338 HydrophobicContact CG1-CG1 3.85Å; V330-V338 HydrophobicContact CG2-CG1 4.21Å; V330-I401 HydrophobicContact CG2-CD1 4.19Å; V330-I401 HydrophobicContact CG2-CG1 4.31Å; V330-I401 HydrophobicContact CG2-CG2 3.72Å; V330-F409 HydrophobicContact CG2-CB 3.62Å; V330-F409 PolarHBondContact N-O 3.33Å; V330-C411 HydrophobicContact CG1-CB 3.61Å; V330-C411 HydrophobicContact CG2-CB 4.38Å |
| 331 | A | 89.4 | Confident | 92.9 | Very high | 95 Ų | 95 | 51.3 Ų | 51.3 | 79% | 0.785 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -77.9 | -22.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 332 | K | 90 | Very high | 92.8 | Very high | 118 Ų | 118 | 45.4 Ų | 45.4 | 51% | 0.513 | 28% | 0.276 | S | S | . | . | trans | -123.4 | 146 | -175.8 | -64.4 | 179.3 | -175.9 | 173.2 | 0 | 110.8 | V330 V334 V338 | V330-K332 WeakPolarHBondContact CG2-O 3.48Å; K332-V334 VanDerWaalsContact C-N 3.3Å; K332-V334 PolarHBondContact O-N 3.08Å; K332-V338 HydrophobicContact CB-CG2 4.1Å; K332-V338 HydrophobicContact CD-CG2 4.18Å | ||
| 333 | P | 86.8 | Confident | 92.7 | Very high | 22 Ų | 22 | 45.3 Ų | 45.3 | 14% | 0.143 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -74.3 | -19.7 | 178.6 | 26.5 | -31.4 | 0 | 0 | 0 | 113.8 | F6 S387 F388 F409 | F6-P333 HydrophobicContact CD1-CB 4.34Å; F6-P333 HydrophobicContact CD1-CG 4.22Å; F6-P333 HydrophobicContact CE1-CB 4.11Å; F6-P333 HydrophobicContact CE1-CG 3.61Å; F6-P333 HydrophobicContact CZ-CG 4.42Å; P333-S387 VanDerWaalsContact O-CB 3.28Å; P333-S387 WeakPolarHBondContact O-CB 3.48Å; P333-S387 PolarHBondContact O-OG 2.86Å; P333-F388 WeakPolarHBondContact O-CB 3.43Å; P333-F409 HydrophobicContact CB-CD1 3.85Å; P333-F409 HydrophobicContact CB-CE1 3.56Å; P333-F409 HydrophobicContact CB-CE2 4.23Å; P333-F409 HydrophobicContact CB-CG 4.32Å; P333-F409 HydrophobicContact CB-CZ 3.75Å; P333-F409 HydrophobicContact CG-CE1 4.28Å; P333-F409 HydrophobicContact CG-CE2 4.3Å; P333-F409 HydrophobicContact CG-CZ 3.97Å |
| 334 | V | 89.8 | Confident | 92.5 | Very high | 47 Ų | 47 | 46 Ų | 46 | 29% | 0.285 | 28% | 0.281 | S | S | . | . | trans | -141.7 | 153.5 | -173.6 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | F6 A9 K332 F388 | F6-V334 HydrophobicContact CD1-CG1 4.5Å; A9-V334 HydrophobicContact CB-CG1 4.25Å; K332-V334 VanDerWaalsContact C-N 3.3Å; K332-V334 PolarHBondContact O-N 3.08Å; V334-F388 HydrophobicContact CB-CB 4.35Å; V334-F388 HydrophobicContact CB-CD2 4.06Å; V334-F388 HydrophobicContact CB-CG 4.21Å; V334-F388 HydrophobicContact CG1-CB 4.13Å; V334-F388 HydrophobicContact CG1-CD2 4.13Å; V334-F388 HydrophobicContact CG1-CG 4.37Å | ||
| 335 | G | 86.6 | Confident | 92.3 | Very high | 12 Ų | 12 | 48.7 Ų | 48.7 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | trans | 137.9 | 122.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D337 V338 I339 | G335-D337 VanDerWaalsContact CA-OD1 3.31Å; G335-D337 WeakPolarHBondContact CA-OD1 3.37Å; G335-D337 PolarHBondContact O-N 3.2Å; G335-V338 WeakPolarHBondContact O-CB 3.12Å; G335-V338 PolarHBondContact O-N 3.11Å; G335-I339 PolarHBondContact O-N 3.24Å; G335-I339 VanDerWaalsContact O-N 3.16Å | ||
| 336 | V | 89.8 | Confident | 92.1 | Very high | 64 Ų | 64 | 48.4 Ų | 48.4 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.7 | -34 | 174.1 | 176.3 | 0 | 0 | 0 | 0 | 110.8 | V338 I339 N340 F388 | V336-V338 VanDerWaalsContact C-N 3.33Å; V336-I339 PolarHBondContact O-N 3.2Å; V336-N340 WeakPolarHBondContact CG1-ND2 3.38Å; V336-N340 WeakPolarHBondContact O-CB 3.37Å; V336-N340 PolarHBondContact O-N 3.47Å; V336-N340 PolarHBondContact O-ND2 3.05Å; V336-F388 HydrophobicContact CG2-CE1 3.95Å; V336-F388 HydrophobicContact CG2-CZ 3.64Å |
| 337 | D | 91 | Very high | 91.9 | Very high | 103 Ų | 103 | 50.3 Ų | 50.3 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.9 | -38.9 | 172 | 59.7 | -41.6 | 0 | 0 | 0 | 112.2 | G335 G341 | G335-D337 VanDerWaalsContact CA-OD1 3.31Å; G335-D337 WeakPolarHBondContact CA-OD1 3.37Å; G335-D337 PolarHBondContact O-N 3.2Å; D337-G341 PolarHBondContact O-N 3.17Å |
| 338 | V | 92.5 | Very high | 91.7 | Very high | 26 Ų | 26 | 51 Ų | 51 | 16% | 0.158 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.5 | -46.9 | 177.6 | -178 | 0 | 0 | 0 | 0 | 110.9 | V330 K332 G335 V336 A342 I401 | V330-V338 HydrophobicContact CB-CG1 3.69Å; V330-V338 HydrophobicContact CG1-CG1 3.85Å; V330-V338 HydrophobicContact CG2-CG1 4.21Å; K332-V338 HydrophobicContact CB-CG2 4.1Å; K332-V338 HydrophobicContact CD-CG2 4.18Å; G335-V338 WeakPolarHBondContact O-CB 3.12Å; G335-V338 PolarHBondContact O-N 3.11Å; V336-V338 VanDerWaalsContact C-N 3.33Å; V338-A342 PolarHBondContact O-N 3.47Å; V338-A342 VanDerWaalsContact O-N 3.12Å; V338-I401 HydrophobicContact CB-CD1 4.4Å; V338-I401 HydrophobicContact CG1-CD1 4.03Å |
| 339 | I | 94.1 | Very high | 91.2 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62 | -49.2 | 175.9 | -80.4 | 179.8 | 0 | 0 | 0 | 110.9 | G335 V336 G341 A342 L343 F388 A390 A399 I401 | G335-I339 PolarHBondContact O-N 3.24Å; G335-I339 VanDerWaalsContact O-N 3.16Å; V336-I339 PolarHBondContact O-N 3.2Å; I339-G341 VanDerWaalsContact C-N 3.35Å; I339-G341 PolarHBondContact O-N 3.18Å; I339-A342 WeakPolarHBondContact O-CB 3.46Å; I339-A342 PolarHBondContact O-N 3.02Å; I339-L343 HydrophobicContact CG2-CD1 3.71Å; I339-L343 HydrophobicContact CG2-CG 4.46Å; I339-L343 PolarHBondContact O-N 3.33Å; I339-F388 HydrophobicContact CD1-CD1 3.5Å; I339-F388 VanDerWaalsContact CD1-CD1 3.5Å; I339-F388 HydrophobicContact CD1-CE1 3.84Å; I339-F388 HydrophobicContact CG1-CD1 4.21Å; I339-A390 HydrophobicContact CD1-CB 3.7Å; I339-A390 HydrophobicContact CG2-CB 4.39Å; I339-A399 HydrophobicContact CD1-CB 4.26Å; I339-A399 HydrophobicContact CG1-CB 4.27Å; I339-A399 HydrophobicContact CG2-CB 3.69Å; I339-I401 HydrophobicContact CD1-CG1 4.32Å; I339-I401 HydrophobicContact CG1-CD1 4.08Å; I339-I401 HydrophobicContact CG1-CG1 4.01Å |
| 340 | N | 94.3 | Very high | 90.6 | Very high | 12 Ų | 12 | 49 Ų | 49 | 6% | 0.064 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.7 | -38.1 | -177.8 | -77.7 | -56.7 | 0 | 0 | 0 | 112.1 | V336 A342 L343 E344 G392 R393 | V336-N340 WeakPolarHBondContact CG1-ND2 3.38Å; V336-N340 WeakPolarHBondContact O-CB 3.37Å; V336-N340 PolarHBondContact O-N 3.47Å; V336-N340 PolarHBondContact O-ND2 3.05Å; N340-A342 VanDerWaalsContact C-N 3.33Å; N340-A342 PolarHBondContact O-N 3.15Å; N340-L343 PolarHBondContact O-N 3.16Å; N340-E344 WeakPolarHBondContact O-CB 3.39Å; N340-E344 WeakPolarHBondContact O-CG 3.25Å; N340-E344 PolarHBondContact O-N 3.1Å; N340-G392 VanDerWaalsContact OD1-CA 3.24Å; N340-G392 WeakPolarHBondContact OD1-CA 3.25Å; N340-R393 PolarHBondContact OD1-N 2.87Å |
| 341 | G | 94.3 | Very high | 90 | Very high | 39 Ų | 39 | 50.4 Ų | 50.4 | 40% | 0.402 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62 | -39.7 | 174 | 0 | 0 | 0 | 0 | 0 | 112.7 | D337 I339 S345 | D337-G341 PolarHBondContact O-N 3.17Å; I339-G341 VanDerWaalsContact C-N 3.35Å; I339-G341 PolarHBondContact O-N 3.18Å; G341-S345 PolarHBondContact O-N 2.92Å; G341-S345 VanDerWaalsContact O-N 3.15Å |
| 342 | A | 94.4 | Very high | 89.5 | Confident | 10 Ų | 10 | 51.7 Ų | 51.7 | 8% | 0.083 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -46.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V328 V338 I339 N340 S345 V346 C411 M413 | V328-A342 HydrophobicContact CG2-CB 3.62Å; V338-A342 PolarHBondContact O-N 3.47Å; V338-A342 VanDerWaalsContact O-N 3.12Å; I339-A342 WeakPolarHBondContact O-CB 3.46Å; I339-A342 PolarHBondContact O-N 3.02Å; N340-A342 VanDerWaalsContact C-N 3.33Å; N340-A342 PolarHBondContact O-N 3.15Å; A342-S345 PolarHBondContact O-N 3.35Å; A342-V346 PolarHBondContact O-N 2.81Å; A342-C411 HydrophobicContact CB-CB 4.42Å; A342-M413 VanDerWaalsContact C-SD 3.54Å; A342-M413 HydrophobicContact CB-SD 3.78Å |
| 343 | L | 94.4 | Very high | 88.9 | Confident | 4 Ų | 4 | 53.7 Ų | 53.7 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.6 | -46.5 | 177.8 | -77.8 | 166.3 | 0 | 0 | 0 | 111.8 | L325 I339 N340 S345 V346 L347 T397 A399 M413 | L325-L343 HydrophobicContact CD1-CD2 3.98Å; I339-L343 HydrophobicContact CG2-CD1 3.71Å; I339-L343 HydrophobicContact CG2-CG 4.46Å; I339-L343 PolarHBondContact O-N 3.33Å; N340-L343 PolarHBondContact O-N 3.16Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.43Å; L343-V346 PolarHBondContact O-N 3.31Å; L343-L347 HydrophobicContact CB-CD1 4.49Å; L343-L347 WeakPolarHBondContact O-CB 3.12Å; L343-L347 WeakPolarHBondContact O-CG 3.32Å; L343-L347 PolarHBondContact O-N 3.47Å; L343-T397 HydrophobicContact CD2-CG2 4.42Å; L343-A399 HydrophobicContact CD1-CB 4.35Å; L343-M413 HydrophobicContact CD2-CB 3.73Å; L343-M413 HydrophobicContact CD2-CG 3.68Å; L343-M413 HydrophobicContact CD2-SD 4.07Å; L343-M413 HydrophobicContact CG-CG 4.08Å; L343-M413 HydrophobicContact CG-SD 4.22Å |
| 344 | E | 93.3 | Very high | 88.7 | Confident | 98 Ų | 98 | 58.8 Ų | 58.8 | 46% | 0.458 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 178.8 | -75.6 | 179 | 167.2 | 0 | 0 | 112.4 | N340 V346 S348 R393 | N340-E344 WeakPolarHBondContact O-CB 3.39Å; N340-E344 WeakPolarHBondContact O-CG 3.25Å; N340-E344 PolarHBondContact O-N 3.1Å; E344-V346 VanDerWaalsContact C-N 3.34Å; E344-V346 PolarHBondContact O-N 3.43Å; E344-S348 VanDerWaalsContact O-CB 3.25Å; E344-S348 WeakPolarHBondContact O-CB 3.46Å; E344-S348 PolarHBondContact O-N 3.02Å; E344-S348 PolarHBondContact O-OG 3.02Å; E344-R393 VanDerWaalsContact CD-NH1 3.28Å; E344-R393 IonicContact OE1-CZ 2.71Å; E344-R393 IonicContact OE1-NH1 3.36Å; E344-R393 PolarHBondContact OE1-NH1 3.03Å; E344-R393 IonicContact OE2-NH1 3.67Å; E344-R393 PolarHBondContact OE2-NH1 3.16Å |
| 345 | S | 91.5 | Very high | 88.8 | Confident | 74 Ų | 74 | 57.7 Ų | 57.7 | 52% | 0.517 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.5 | -42.3 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 111.9 | G341 A342 L343 S348 S349 | G341-S345 PolarHBondContact O-N 2.92Å; G341-S345 VanDerWaalsContact O-N 3.15Å; A342-S345 PolarHBondContact O-N 3.35Å; L343-S345 VanDerWaalsContact C-N 3.31Å; L343-S345 PolarHBondContact O-N 3.43Å; S345-S348 PolarHBondContact O-OG 2.99Å; S345-S348 VanDerWaalsContact O-OG 3.11Å; S345-S349 WeakPolarHBondContact O-CB 3.44Å; S345-S349 PolarHBondContact O-N 2.85Å; S345-S349 PolarHBondContact O-OG 2.93Å; S345-S349 VanDerWaalsContact O-OG 3.08Å |
| 346 | V | 90.8 | Very high | 89.1 | Confident | 13 Ų | 13 | 59.5 Ų | 59.5 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -77.5 | -39.8 | -178.3 | 175.3 | 0 | 0 | 0 | 0 | 111.8 | L325 V328 A342 L343 E344 S348 S349 S350 M413 | L325-V346 HydrophobicContact CB-CG1 4.02Å; V328-V346 HydrophobicContact CG1-CG2 4.3Å; A342-V346 PolarHBondContact O-N 2.81Å; L343-V346 PolarHBondContact O-N 3.31Å; E344-V346 VanDerWaalsContact C-N 3.34Å; E344-V346 PolarHBondContact O-N 3.43Å; V346-S348 VanDerWaalsContact C-N 3.28Å; V346-S348 PolarHBondContact O-N 3.49Å; V346-S349 PolarHBondContact O-N 3.42Å; V346-S349 PolarHBondContact O-OG 2.95Å; V346-S350 VanDerWaalsContact O-CB 3.23Å; V346-S350 WeakPolarHBondContact O-CB 3.36Å; V346-S350 PolarHBondContact O-N 2.9Å; V346-S350 PolarHBondContact O-OG 2.76Å; V346-M413 HydrophobicContact CG2-CE 3.63Å; V346-M413 HydrophobicContact CG2-SD 4.06Å |
| 347 | L | 90.3 | Very high | 89.4 | Confident | 59 Ų | 59 | 58.1 Ų | 58.1 | 31% | 0.309 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.3 | -27.3 | 179.1 | -66.9 | 172.3 | 0 | 0 | 0 | 112.5 | L325 L343 W355 T397 W415 | L325-L347 HydrophobicContact CD2-CD2 4.29Å; L343-L347 HydrophobicContact CB-CD1 4.49Å; L343-L347 WeakPolarHBondContact O-CB 3.12Å; L343-L347 WeakPolarHBondContact O-CG 3.32Å; L343-L347 PolarHBondContact O-N 3.47Å; L347-W355 HydrophobicContact CD2-CH2 3.85Å; L347-W355 HydrophobicContact CD2-CZ2 3.44Å; L347-W355 VanDerWaalsContact CD2-CZ2 3.44Å; L347-T397 HydrophobicContact CD1-CG2 4.04Å; L347-W415 HydrophobicContact CD2-CE3 4.35Å; L347-W415 HydrophobicContact CD2-CZ3 4.47Å |
| 348 | S | 88.6 | Confident | 89.6 | Confident | 101 Ų | 101 | 53.2 Ų | 53.2 | 71% | 0.706 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -81.9 | -29.7 | 173.9 | 58.5 | 0 | 0 | 0 | 0 | 113.4 | E344 S345 V346 | E344-S348 VanDerWaalsContact O-CB 3.25Å; E344-S348 WeakPolarHBondContact O-CB 3.46Å; E344-S348 PolarHBondContact O-N 3.02Å; E344-S348 PolarHBondContact O-OG 3.02Å; S345-S348 PolarHBondContact O-OG 2.99Å; S345-S348 VanDerWaalsContact O-OG 3.11Å; V346-S348 VanDerWaalsContact C-N 3.28Å; V346-S348 PolarHBondContact O-N 3.49Å |
| 349 | S | 83.7 | Confident | 89.7 | Confident | 83 Ų | 83 | 53.4 Ų | 53.4 | 58% | 0.58 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -86.8 | -29.6 | -179.6 | 66.4 | 0 | 0 | 0 | 0 | 114.1 | S345 V346 | S345-S349 WeakPolarHBondContact O-CB 3.44Å; S345-S349 PolarHBondContact O-N 2.85Å; S345-S349 PolarHBondContact O-OG 2.93Å; S345-S349 VanDerWaalsContact O-OG 3.08Å; V346-S349 PolarHBondContact O-N 3.42Å; V346-S349 PolarHBondContact O-OG 2.95Å |
| 350 | S | 81.6 | Confident | 89.8 | Confident | 29 Ų | 29 | 53.5 Ų | 53.5 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -118.2 | 124.5 | -166.6 | -53 | 0 | 0 | 0 | 0 | 110.9 | V346 | V346-S350 VanDerWaalsContact O-CB 3.23Å; V346-S350 WeakPolarHBondContact O-CB 3.36Å; V346-S350 PolarHBondContact O-N 2.9Å; V346-S350 PolarHBondContact O-OG 2.76Å |
| 351 | S | 82.4 | Confident | 89.9 | Confident | 50 Ų | 50 | 53.5 Ų | 53.5 | 35% | 0.35 | 30% | 0.304 | S | S | . | . | trans | -74.9 | 157.2 | 172.7 | 75.9 | 0 | 0 | 0 | 0 | 111 | E353 Q354 W355 | S351-E353 WeakPolarHBondContact CB-OE2 3.2Å; S351-E353 PolarHBondContact O-N 3.34Å; S351-E353 VanDerWaalsContact O-N 3.11Å; S351-E353 PolarHBondContact OG-OE2 3.2Å; S351-Q354 WeakPolarHBondContact O-CB 3.35Å; S351-Q354 PolarHBondContact O-N 3.41Å; S351-W355 PolarHBondContact O-NE1 3.34Å | ||
| 352 | R | 79.2 | Confident | 89.9 | Confident | 122 Ų | 122 | 51.9 Ų | 51.9 | 46% | 0.46 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -61.3 | -23.8 | -173.5 | -170.6 | 162 | -178.3 | 167.6 | 2.2 | 113.1 | Q354 W355 E417 | R352-Q354 VanDerWaalsContact C-N 3.27Å; R352-Q354 PolarHBondContact O-N 3.03Å; R352-W355 HydrophobicContact CB-CD2 4.46Å; R352-W355 HydrophobicContact CB-CE3 4.39Å; R352-W355 HydrophobicContact CB-CH2 4.32Å; R352-W355 HydrophobicContact CB-CZ2 4.37Å; R352-W355 HydrophobicContact CB-CZ3 4.33Å; R352-W355 HydrophobicContact CG-CD2 4.23Å; R352-W355 HydrophobicContact CG-CE3 3.72Å; R352-W355 HydrophobicContact CG-CH2 4.07Å; R352-W355 HydrophobicContact CG-CZ3 3.63Å; R352-W355 PolarHBondContact O-N 3.31Å; R352-E417 IonicContact CZ-OE1 3.99Å; R352-E417 IonicContact NH2-OE1 3.78Å; R352-E417 PolarHBondContact NH2-OE1 2.89Å |
| 353 | E | 78.6 | Confident | 89.7 | Confident | 160 Ų | 160 | 52 Ų | 52 | 75% | 0.748 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -72.9 | -17.5 | 176.8 | -52.5 | 75 | -157.4 | 0 | 0 | 113.2 | S351 | S351-E353 WeakPolarHBondContact CB-OE2 3.2Å; S351-E353 PolarHBondContact O-N 3.34Å; S351-E353 VanDerWaalsContact O-N 3.11Å; S351-E353 PolarHBondContact OG-OE2 3.2Å |
| 354 | Q | 81.7 | Confident | 89.1 | Confident | 128 Ų | 128 | 53.8 Ų | 53.8 | 60% | 0.598 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -91.6 | -8.8 | 179.6 | -60.1 | 176.6 | 18.7 | 0 | 0 | 112.7 | S351 R352 | S351-Q354 WeakPolarHBondContact O-CB 3.35Å; S351-Q354 PolarHBondContact O-N 3.41Å; R352-Q354 VanDerWaalsContact C-N 3.27Å; R352-Q354 PolarHBondContact O-N 3.03Å |
| 355 | W | 91.7 | Very high | 88.7 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 9% | 0.091 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -75.3 | 137 | -178.9 | -55.1 | -12.7 | 0 | 0 | 0 | 110.5 | Y323 L325 L347 S351 R352 P357 W415 | Y323-W355 HydrophobicContact CD1-CB 4.28Å; Y323-W355 HydrophobicContact CG-CB 4.46Å; L325-W355 HydrophobicContact CD2-CB 4.41Å; L325-W355 HydrophobicContact CD2-CD2 3.36Å; L325-W355 HydrophobicContact CD2-CE3 3.95Å; L325-W355 HydrophobicContact CD2-CG 3.58Å; L325-W355 HydrophobicContact CD2-CH2 4.41Å; L325-W355 HydrophobicContact CD2-CZ2 3.9Å; L325-W355 HydrophobicContact CD2-CZ3 4.44Å; L347-W355 HydrophobicContact CD2-CH2 3.85Å; L347-W355 HydrophobicContact CD2-CZ2 3.44Å; L347-W355 VanDerWaalsContact CD2-CZ2 3.44Å; S351-W355 PolarHBondContact O-NE1 3.34Å; R352-W355 HydrophobicContact CB-CD2 4.46Å; R352-W355 HydrophobicContact CB-CE3 4.39Å; R352-W355 HydrophobicContact CB-CH2 4.32Å; R352-W355 HydrophobicContact CB-CZ2 4.37Å; R352-W355 HydrophobicContact CB-CZ3 4.33Å; R352-W355 HydrophobicContact CG-CD2 4.23Å; R352-W355 HydrophobicContact CG-CE3 3.72Å; R352-W355 HydrophobicContact CG-CH2 4.07Å; R352-W355 HydrophobicContact CG-CZ3 3.63Å; R352-W355 PolarHBondContact O-N 3.31Å; W355-P357 VanDerWaalsContact O-CD 3.27Å; W355-P357 WeakPolarHBondContact O-CD 3.34Å; W355-W415 HydrophobicContact CE3-CB 3.99Å; W355-W415 HydrophobicContact CE3-CD2 4.45Å; W355-W415 HydrophobicContact CE3-CG 4.07Å; W355-W415 AromaticContact CH2-CD2 3.84Å; W355-W415 HydrophobicContact CH2-CD2 3.84Å; W355-W415 AromaticContact CH2-CE3 3.6Å; W355-W415 HydrophobicContact CH2-CE3 3.6Å; W355-W415 HydrophobicContact CH2-CG 4.3Å; W355-W415 HydrophobicContact CH2-CZ3 4.08Å; W355-W415 HydrophobicContact CZ3-CB 3.82Å; W355-W415 AromaticContact CZ3-CD2 3.44Å; W355-W415 HydrophobicContact CZ3-CD2 3.44Å; W355-W415 VanDerWaalsContact CZ3-CD2 3.44Å; W355-W415 AromaticContact CZ3-CE3 3.71Å; W355-W415 HydrophobicContact CZ3-CE3 3.71Å; W355-W415 AromaticContact CZ3-CG 3.47Å; W355-W415 HydrophobicContact CZ3-CG 3.47Å; W355-W415 VanDerWaalsContact CZ3-CG 3.47Å |
| 356 | T | 92.8 | Very high | 88.7 | Confident | 50 Ų | 50 | 49.1 Ų | 49.1 | 31% | 0.307 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 114.4 | -172 | -59.3 | 0 | 0 | 0 | 0 | 110.3 | Y324 S358 H371 L378 | Y324-T356 PolarHBondContact N-O 3.43Å; Y324-T356 PolarHBondContact O-N 3.11Å; Y324-T356 VanDerWaalsContact O-N 3.09Å; T356-S358 PolarHBondContact O-N 2.9Å; T356-S358 PolarHBondContact O-OG 2.85Å; T356-H371 VanDerWaalsContact CG2-CD2 3.47Å; T356-H371 WeakPolarHBondContact CG2-CD2 3.42Å; T356-L378 HydrophobicContact CG2-CD1 3.74Å |
| 357 | P | 95.4 | Very high | 88.9 | Confident | 36 Ų | 36 | 48.5 Ų | 48.5 | 23% | 0.234 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 123.1 | 177.3 | -16.8 | 30.8 | 0 | 0 | 0 | 109.7 | Y323 W355 Q372 | Y323-P357 HydrophobicContact CD1-CB 4.25Å; Y323-P357 HydrophobicContact CD1-CG 4.19Å; Y323-P357 HydrophobicContact CE1-CB 4.12Å; Y323-P357 HydrophobicContact CE1-CG 4Å; W355-P357 VanDerWaalsContact O-CD 3.27Å; W355-P357 WeakPolarHBondContact O-CD 3.34Å; P357-Q372 HydrophobicContact CB-CB 4.08Å; P357-Q372 VanDerWaalsContact CB-OE1 3.24Å; P357-Q372 VanDerWaalsContact O-CB 3.28Å; P357-Q372 WeakPolarHBondContact O-CB 3.36Å; P357-Q372 PolarHBondContact O-N 2.72Å |
| 358 | S | 96.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 163 | -166.1 | -59 | 0 | 0 | 0 | 0 | 112.8 | V322 Y324 T356 L370 L378 | V322-S358 PolarHBondContact N-O 3.49Å; V322-S358 CarbonylContact O-C 3.59Å; V322-S358 WeakPolarHBondContact O-CA 3.47Å; V322-S358 PolarHBondContact O-N 3.02Å; Y324-S358 VanDerWaalsContact CB-OG 3.32Å; Y324-S358 WeakPolarHBondContact CB-OG 3.47Å; T356-S358 PolarHBondContact O-N 2.9Å; T356-S358 PolarHBondContact O-OG 2.85Å; S358-L370 CarbonylContact C-O 3.6Å; S358-L370 WeakPolarHBondContact CA-O 3.31Å; S358-L370 VanDerWaalsContact CB-O 3.25Å; S358-L370 WeakPolarHBondContact CB-O 3.32Å; S358-L378 VanDerWaalsContact OG-CD1 3.3Å; S358-L378 WeakPolarHBondContact OG-CD1 3.49Å |
| 359 | H | 93.9 | Very high | 89.5 | Confident | 30 Ų | 30 | 42.3 Ų | 42.3 | 14% | 0.139 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138 | 164.3 | -59 | 104.7 | 0 | 0 | 0 | 110.5 | F320 Q321 L370 | F320-H359 CarbonylContact O-C 3.57Å; F320-H359 WeakPolarHBondContact O-CA 3.49Å; Q321-H359 WeakPolarHBondContact CG-CD2 3.27Å; Q321-H359 WeakPolarHBondContact CG-NE2 3.26Å; H359-L370 PolarHBondContact N-O 2.89Å; H359-L370 PolarHBondContact O-N 3.36Å |
| 360 | V | 96.6 | Very high | 90 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 118 | 167.1 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | K319 F320 V322 V362 T368 F414 L423 | K319-V360 WeakPolarHBondContact CA-O 3.37Å; F320-V360 PolarHBondContact N-O 3.48Å; F320-V360 PolarHBondContact O-N 2.83Å; V322-V360 HydrophobicContact CG2-CG2 3.63Å; V360-V362 HydrophobicContact CG1-CG2 4Å; V360-T368 WeakPolarHBondContact CA-O 3.35Å; V360-F414 HydrophobicContact CG2-CD1 3.76Å; V360-F414 HydrophobicContact CG2-CE1 3.47Å; V360-F414 VanDerWaalsContact CG2-CE1 3.47Å; V360-F414 HydrophobicContact CG2-CZ 4.19Å; V360-L423 HydrophobicContact CB-CD1 4.07Å; V360-L423 HydrophobicContact CG1-CD1 3.88Å; V360-L423 HydrophobicContact CG2-CD2 4.49Å |
| 361 | S | 95.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 39.9 Ų | 39.9 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 107.6 | 176.9 | -177.7 | 0 | 0 | 0 | 0 | 109.1 | V317 Q318 L367 T368 | V317-S361 WeakPolarHBondContact CG1-OG 3.29Å; Q318-S361 CarbonylContact O-C 3.6Å; Q318-S361 WeakPolarHBondContact O-CA 3.31Å; S361-L367 WeakPolarHBondContact O-CA 3.14Å; S361-T368 PolarHBondContact N-O 3.09Å; S361-T368 PolarHBondContact O-N 3.13Å |
| 362 | V | 94.8 | Very high | 90.9 | Very high | 5 Ų | 5 | 41 Ų | 41 | 3% | 0.03 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 107.6 | -177.3 | -177.5 | 0 | 0 | 0 | 0 | 109.4 | V317 Q318 F320 V360 L367 L423 A426 V427 A430 | V317-V362 WeakPolarHBondContact CA-O 3.41Å; Q318-V362 PolarHBondContact N-O 3Å; Q318-V362 VanDerWaalsContact N-O 3.13Å; Q318-V362 PolarHBondContact O-N 3.3Å; F320-V362 HydrophobicContact CD2-CG2 3.86Å; F320-V362 HydrophobicContact CE2-CB 4.24Å; F320-V362 HydrophobicContact CE2-CG2 3.73Å; V360-V362 HydrophobicContact CG1-CG2 4Å; V362-L367 HydrophobicContact CB-CD2 4.07Å; V362-L367 HydrophobicContact CG1-CD2 3.62Å; V362-L367 HydrophobicContact CG2-CD2 4.03Å; V362-L423 HydrophobicContact CG2-CD1 4Å; V362-A426 HydrophobicContact CG1-CB 4.31Å; V362-A426 HydrophobicContact CG2-CB 4.4Å; V362-V427 HydrophobicContact CG2-CG2 4.03Å; V362-A430 HydrophobicContact CG1-CB 4.01Å |
| 363 | A | 89.8 | Confident | 91.3 | Very high | 13 Ų | 13 | 42.6 Ų | 42.6 | 11% | 0.107 | 22% | 0.224 | C | C | . | . | trans | -109.4 | 161.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | V317 A365 T366 | V317-A363 HydrophobicContact CG2-CB 4.05Å; A363-A365 PolarHBondContact O-N 3.07Å; A363-T366 WeakPolarHBondContact CA-O 3.44Å; A363-T366 WeakPolarHBondContact CB-O 3.4Å; A363-T366 PolarHBondContact N-O 3.13Å; A363-T366 PolarHBondContact O-N 3.23Å | ||
| 364 | P | 81.9 | Confident | 91.7 | Very high | 40 Ų | 40 | 39.4 Ų | 39.4 | 26% | 0.26 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -57.5 | -23.7 | -174.4 | -27.5 | 35.5 | 0 | 0 | 0 | 115.6 | ||
| 365 | A | 85.3 | Confident | 92 | Very high | 42 Ų | 42 | 39 Ų | 39 | 35% | 0.347 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -117.3 | -16.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | A363 V383 R434 | A363-A365 PolarHBondContact O-N 3.07Å; A365-V383 VanDerWaalsContact C-CG2 3.49Å; A365-V383 PolarHBondContact O-N 3.05Å; A365-R434 PolarHBondContact O-NH1 3.26Å |
| 366 | T | 91.3 | Very high | 91.9 | Very high | 33 Ų | 33 | 40.1 Ų | 40.1 | 20% | 0.202 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 138.5 | -167.3 | -54.6 | 0 | 0 | 0 | 0 | 110.5 | A363 E380 | A363-T366 WeakPolarHBondContact CA-O 3.44Å; A363-T366 WeakPolarHBondContact CB-O 3.4Å; A363-T366 PolarHBondContact N-O 3.13Å; A363-T366 PolarHBondContact O-N 3.23Å; T366-E380 HydrophobicContact CG2-CG 3.46Å; T366-E380 VanDerWaalsContact CG2-CG 3.46Å |
| 367 | L | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 129.8 | 166.6 | -45.9 | 177.1 | 0 | 0 | 0 | 107.5 | S361 V362 C381 V383 L386 F400 V427 | S361-L367 WeakPolarHBondContact O-CA 3.14Å; V362-L367 HydrophobicContact CB-CD2 4.07Å; V362-L367 HydrophobicContact CG1-CD2 3.62Å; V362-L367 HydrophobicContact CG2-CD2 4.03Å; L367-C381 HydrophobicContact CB-CB 4.21Å; L367-C381 PolarHBondContact N-O 3.22Å; L367-C381 PolarHBondContact O-N 2.93Å; L367-V383 HydrophobicContact CD2-CG2 4.25Å; L367-V383 HydrophobicContact CG-CG2 4.29Å; L367-L386 HydrophobicContact CD1-CD1 4.07Å; L367-L386 HydrophobicContact CD1-CD2 3.97Å; L367-F400 HydrophobicContact CD1-CD1 4.35Å; L367-F400 HydrophobicContact CD1-CE1 3.88Å; L367-F400 HydrophobicContact CD1-CZ 4.01Å; L367-V427 HydrophobicContact CD1-CG1 3.81Å; L367-V427 HydrophobicContact CD1-CG2 4.1Å; L367-V427 HydrophobicContact CD2-CG2 4.14Å |
| 368 | T | 95.8 | Very high | 91.7 | Very high | 30 Ų | 30 | 43.7 Ų | 43.7 | 18% | 0.184 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 127.1 | 177.5 | -44.3 | 0 | 0 | 0 | 0 | 109.3 | V360 S361 L370 V377 | V360-T368 WeakPolarHBondContact CA-O 3.35Å; S361-T368 PolarHBondContact N-O 3.09Å; S361-T368 PolarHBondContact O-N 3.13Å; T368-L370 HydrophobicContact CG2-CD2 4Å; T368-L370 HydrophobicContact CG2-CG 4.07Å; T368-V377 HydrophobicContact CG2-CG1 4.07Å; T368-V377 HydrophobicContact CG2-CG2 4.46Å |
| 369 | I | 96.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 118.9 | 177 | -47.9 | 167.4 | 0 | 0 | 0 | 106.7 | Y324 L378 G379 F414 | Y324-I369 HydrophobicContact CD1-CG2 4.3Å; Y324-I369 HydrophobicContact CD2-CD1 4.3Å; Y324-I369 HydrophobicContact CD2-CG2 4.16Å; Y324-I369 HydrophobicContact CE2-CD1 3.81Å; Y324-I369 HydrophobicContact CG-CG2 4Å; I369-L378 HydrophobicContact CB-CB 4.34Å; I369-L378 HydrophobicContact CG2-CB 4.08Å; I369-L378 HydrophobicContact CG2-CD1 4.35Å; I369-L378 PolarHBondContact O-N 2.64Å; I369-G379 PolarHBondContact N-O 3.15Å; I369-G379 PolarHBondContact O-N 3.35Å; I369-F414 HydrophobicContact CD1-CE1 3.8Å; I369-F414 HydrophobicContact CD1-CZ 3.58Å; I369-F414 HydrophobicContact CG1-CE1 3.95Å; I369-F414 HydrophobicContact CG1-CZ 4Å; I369-F414 HydrophobicContact CG2-CE1 4.12Å |
| 370 | L | 93.9 | Very high | 91.4 | Very high | 22 Ų | 22 | 48.1 Ų | 48.1 | 12% | 0.115 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 140.8 | -174.5 | -64.1 | 161.7 | 0 | 0 | 0 | 109.5 | S358 H359 T368 E375 A376 V377 | S358-L370 CarbonylContact C-O 3.6Å; S358-L370 WeakPolarHBondContact CA-O 3.31Å; S358-L370 VanDerWaalsContact CB-O 3.25Å; S358-L370 WeakPolarHBondContact CB-O 3.32Å; H359-L370 PolarHBondContact N-O 2.89Å; H359-L370 PolarHBondContact O-N 3.36Å; T368-L370 HydrophobicContact CG2-CD2 4Å; T368-L370 HydrophobicContact CG2-CG 4.07Å; L370-E375 WeakPolarHBondContact CD2-O 3.36Å; L370-A376 CarbonylContact C-O 3.52Å; L370-A376 WeakPolarHBondContact CA-O 3.41Å; L370-V377 HydrophobicContact CD2-CB 4.41Å; L370-V377 HydrophobicContact CD2-CG2 3.71Å |
| 371 | H | 93.1 | Very high | 91.2 | Very high | 38 Ų | 38 | 48.1 Ų | 48.1 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 134.1 | 170.9 | -175.3 | -100.8 | 0 | 0 | 0 | 110.4 | T356 Q373 T374 E375 A376 L378 | T356-H371 VanDerWaalsContact CG2-CD2 3.47Å; T356-H371 WeakPolarHBondContact CG2-CD2 3.42Å; H371-Q373 VanDerWaalsContact C-N 3.3Å; H371-Q373 PolarHBondContact ND1-N 2.83Å; H371-Q373 PolarHBondContact O-N 2.87Å; H371-T374 WeakPolarHBondContact CB-OG1 3.5Å; H371-T374 PolarHBondContact ND1-N 3.01Å; H371-T374 PolarHBondContact ND1-OG1 3.39Å; H371-E375 VanDerWaalsContact O-CA 3.29Å; H371-E375 WeakPolarHBondContact O-CA 3.28Å; H371-E375 PolarHBondContact O-N 3.34Å; H371-A376 HydrophobicContact CB-CB 4.29Å; H371-A376 PolarHBondContact N-O 3.24Å; H371-L378 HydrophobicContact CB-CD1 4.17Å; H371-L378 HydrophobicContact CB-CD2 4.28Å; H371-L378 HydrophobicContact CB-CG 4.23Å |
| 372 | Q | 89.4 | Confident | 90.9 | Very high | 73 Ų | 73 | 54 Ų | 54 | 34% | 0.341 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -32.8 | -169.7 | 171.3 | 168.3 | 7.7 | 0 | 0 | 114.2 | P357 | P357-Q372 HydrophobicContact CB-CB 4.08Å; P357-Q372 VanDerWaalsContact CB-OE1 3.24Å; P357-Q372 VanDerWaalsContact O-CB 3.28Å; P357-Q372 WeakPolarHBondContact O-CB 3.36Å; P357-Q372 PolarHBondContact O-N 2.72Å |
| 373 | Q | 87.5 | Confident | 90.7 | Very high | 156 Ų | 156 | 53.8 Ų | 53.8 | 73% | 0.729 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | -32.5 | -174.1 | -64.8 | 166 | 3.4 | 0 | 0 | 113.4 | H371 | H371-Q373 VanDerWaalsContact C-N 3.3Å; H371-Q373 PolarHBondContact ND1-N 2.83Å; H371-Q373 PolarHBondContact O-N 2.87Å |
| 374 | T | 88.1 | Confident | 90.5 | Very high | 94 Ų | 94 | 60 Ų | 60 | 58% | 0.577 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.4 | -8 | -172.5 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | H371 A376 | H371-T374 WeakPolarHBondContact CB-OG1 3.5Å; H371-T374 PolarHBondContact ND1-N 3.01Å; H371-T374 PolarHBondContact ND1-OG1 3.39Å; T374-A376 PolarHBondContact O-N 3.07Å; T374-A376 WeakPolarHBondContact OG1-CB 3.45Å; T374-A376 PolarHBondContact OG1-N 3.39Å |
| 375 | E | 87.6 | Confident | 90.8 | Very high | 119 Ų | 119 | 62.5 Ų | 62.5 | 56% | 0.556 | 32% | 0.318 | S | S | * | . | trans | 50.7 | 19.6 | -169.3 | -61.4 | -159.2 | 125.8 | 0 | 0 | 113.6 | K319 L370 H371 V377 | K319-E375 IonicContact NZ-OE1 3.79Å; L370-E375 WeakPolarHBondContact CD2-O 3.36Å; H371-E375 VanDerWaalsContact O-CA 3.29Å; H371-E375 WeakPolarHBondContact O-CA 3.28Å; H371-E375 PolarHBondContact O-N 3.34Å; E375-V377 PolarHBondContact O-N 3.43Å | ||
| 376 | A | 89.3 | Confident | 91.1 | Very high | 48 Ų | 48 | 61 Ų | 61 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | trans | -66.7 | 133.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | L370 H371 T374 L378 | L370-A376 CarbonylContact C-O 3.52Å; L370-A376 WeakPolarHBondContact CA-O 3.41Å; H371-A376 HydrophobicContact CB-CB 4.29Å; H371-A376 PolarHBondContact N-O 3.24Å; T374-A376 PolarHBondContact O-N 3.07Å; T374-A376 WeakPolarHBondContact OG1-CB 3.45Å; T374-A376 PolarHBondContact OG1-N 3.39Å; A376-L378 PolarHBondContact O-N 2.87Å | ||
| 377 | V | 91.4 | Very high | 90.9 | Very high | 95 Ų | 95 | 59.8 Ų | 59.8 | 58% | 0.576 | 30% | 0.297 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 111.1 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 109.6 | T368 L370 E375 | T368-V377 HydrophobicContact CG2-CG1 4.07Å; T368-V377 HydrophobicContact CG2-CG2 4.46Å; L370-V377 HydrophobicContact CD2-CB 4.41Å; L370-V377 HydrophobicContact CD2-CG2 3.71Å; E375-V377 PolarHBondContact O-N 3.43Å |
| 378 | L | 92.3 | Very high | 90.7 | Very high | 66 Ų | 66 | 60.3 Ų | 60.3 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | -26.1 | 175.4 | -58.2 | 178.4 | 0 | 0 | 0 | 111.7 | Y324 T356 S358 I369 H371 A376 | Y324-L378 HydrophobicContact CD1-CB 4.45Å; Y324-L378 HydrophobicContact CD1-CD1 4.2Å; T356-L378 HydrophobicContact CG2-CD1 3.74Å; S358-L378 VanDerWaalsContact OG-CD1 3.3Å; S358-L378 WeakPolarHBondContact OG-CD1 3.49Å; I369-L378 HydrophobicContact CB-CB 4.34Å; I369-L378 HydrophobicContact CG2-CB 4.08Å; I369-L378 HydrophobicContact CG2-CD1 4.35Å; I369-L378 PolarHBondContact O-N 2.64Å; H371-L378 HydrophobicContact CB-CD1 4.17Å; H371-L378 HydrophobicContact CB-CD2 4.28Å; H371-L378 HydrophobicContact CB-CG 4.23Å; A376-L378 PolarHBondContact O-N 2.87Å |
| 379 | G | 91.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 59.9 Ų | 59.9 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.4 | 146.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | I369 | I369-G379 PolarHBondContact N-O 3.15Å; I369-G379 PolarHBondContact O-N 3.35Å |
| 380 | E | 92.9 | Very high | 90.4 | Very high | 108 Ų | 108 | 60.5 Ų | 60.5 | 51% | 0.505 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 116.8 | 172.3 | -173.8 | -172.6 | 125.7 | 0 | 0 | 109.4 | T366 R382 | T366-E380 HydrophobicContact CG2-CG 3.46Å; T366-E380 VanDerWaalsContact CG2-CG 3.46Å; E380-R382 IonicContact OE1-NE 3.51Å; E380-R382 IonicContact OE1-NH2 3.06Å |
| 381 | C | 92.4 | Very high | 90.4 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.007 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 113.4 | -176.6 | -52.9 | 0 | 0 | 0 | 0 | 109.4 | L367 F400 M402 | L367-C381 HydrophobicContact CB-CB 4.21Å; L367-C381 PolarHBondContact N-O 3.22Å; L367-C381 PolarHBondContact O-N 2.93Å; C381-F400 HydrophobicContact CB-CE2 3.84Å; C381-F400 HydrophobicContact CB-CZ 3.92Å; C381-M402 HydrophobicContact CB-SD 4.05Å; C381-M402 VanDerWaalsContact SG-SD 3.65Å |
| 382 | R | 90 | Very high | 90.2 | Very high | 136 Ų | 136 | 60.9 Ų | 60.9 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131.4 | 177.9 | -62.3 | -175.5 | 177.3 | 129 | 5.9 | 110.8 | E380 R384 F385 L386 | E380-R382 IonicContact OE1-NE 3.51Å; E380-R382 IonicContact OE1-NH2 3.06Å; R382-R384 PolarHBondContact O-N 3.18Å; R382-F385 HydrophobicContact CB-CD2 3.78Å; R382-F385 HydrophobicContact CB-CE2 4.22Å; R382-F385 HydrophobicContact CG-CD2 4.49Å; R382-F385 PolarHBondContact O-N 3.35Å; R382-L386 WeakPolarHBondContact O-CD1 3.45Å |
| 383 | V | 89.4 | Confident | 90.2 | Very high | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.006 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -54.9 | -30.1 | -178.7 | 176.9 | 0 | 0 | 0 | 0 | 112.7 | A365 L367 F385 L386 A430 C431 R434 | A365-V383 VanDerWaalsContact C-CG2 3.49Å; A365-V383 PolarHBondContact O-N 3.05Å; L367-V383 HydrophobicContact CD2-CG2 4.25Å; L367-V383 HydrophobicContact CG-CG2 4.29Å; V383-F385 PolarHBondContact O-N 2.92Å; V383-L386 PolarHBondContact O-N 3.14Å; V383-A430 HydrophobicContact CG2-CB 4.32Å; V383-C431 HydrophobicContact CG1-CB 4.39Å; V383-R434 HydrophobicContact CG1-CB 4.11Å |
| 384 | R | 85.6 | Confident | 90.3 | Very high | 143 Ų | 143 | 61.6 Ų | 61.6 | 54% | 0.54 | 31% | 0.307 | S | S | . | . | G | 310 helix | trans | -63.9 | -26.8 | 177.3 | -153.2 | -175.9 | -171.6 | 155.9 | 5.4 | 114.3 | R382 | R382-R384 PolarHBondContact O-N 3.18Š|
| 385 | F | 87.9 | Confident | 90.5 | Very high | 92 Ų | 92 | 61.4 Ų | 61.4 | 40% | 0.404 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -100.8 | -2.3 | -174.2 | -59.4 | -53.9 | 0 | 0 | 0 | 112.2 | R382 V383 S387 M402 A403 | R382-F385 HydrophobicContact CB-CD2 3.78Å; R382-F385 HydrophobicContact CB-CE2 4.22Å; R382-F385 HydrophobicContact CG-CD2 4.49Å; R382-F385 PolarHBondContact O-N 3.35Å; V383-F385 PolarHBondContact O-N 2.92Å; F385-S387 PolarHBondContact O-N 3.44Å; F385-M402 CarbonylContact O-C 3.59Å; F385-M402 VanDerWaalsContact O-CA 3.25Å; F385-M402 WeakPolarHBondContact O-CA 3.35Å; F385-A403 PolarHBondContact O-N 3.14Å |
| 386 | L | 91.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 58 Ų | 58 | 5% | 0.052 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 125.7 | 168.3 | -87.6 | 81.5 | 0 | 0 | 0 | 108.6 | L367 R382 V383 F400 I401 V427 | L367-L386 HydrophobicContact CD1-CD1 4.07Å; L367-L386 HydrophobicContact CD1-CD2 3.97Å; R382-L386 WeakPolarHBondContact O-CD1 3.45Å; V383-L386 PolarHBondContact O-N 3.14Å; L386-F400 HydrophobicContact CD1-CD2 4.36Å; L386-F400 HydrophobicContact CD1-CE2 4.47Å; L386-F400 HydrophobicContact CD2-CB 3.9Å; L386-F400 HydrophobicContact CD2-CD1 4.45Å; L386-F400 HydrophobicContact CD2-CD2 3.92Å; L386-F400 HydrophobicContact CD2-CG 3.84Å; L386-F400 HydrophobicContact CG-CD2 3.92Å; L386-F400 HydrophobicContact CG-CG 4.34Å; L386-I401 WeakPolarHBondContact CA-O 3.4Å; L386-V427 HydrophobicContact CD2-CG1 3.81Å |
| 387 | S | 87.8 | Confident | 91.1 | Very high | 8 Ų | 8 | 55.8 Ų | 55.8 | 6% | 0.056 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | -26.6 | 177.3 | 56.1 | 0 | 0 | 0 | 0 | 112.2 | P333 F385 I401 | P333-S387 VanDerWaalsContact O-CB 3.28Å; P333-S387 WeakPolarHBondContact O-CB 3.48Å; P333-S387 PolarHBondContact O-OG 2.86Å; F385-S387 PolarHBondContact O-N 3.44Å; S387-I401 PolarHBondContact N-O 3.3Å; S387-I401 WeakPolarHBondContact OG-CG2 3.24Å; S387-I401 PolarHBondContact OG-O 3.43Å |
| 388 | F | 91.4 | Very high | 91.4 | Very high | 11 Ų | 11 | 51.3 Ų | 51.3 | 5% | 0.048 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 151.9 | -179.4 | -162.8 | -118 | 0 | 0 | 0 | 111.1 | P333 V334 V336 I339 A390 F400 I401 | P333-F388 WeakPolarHBondContact O-CB 3.43Å; V334-F388 HydrophobicContact CB-CB 4.35Å; V334-F388 HydrophobicContact CB-CD2 4.06Å; V334-F388 HydrophobicContact CB-CG 4.21Å; V334-F388 HydrophobicContact CG1-CB 4.13Å; V334-F388 HydrophobicContact CG1-CD2 4.13Å; V334-F388 HydrophobicContact CG1-CG 4.37Å; V336-F388 HydrophobicContact CG2-CE1 3.95Å; V336-F388 HydrophobicContact CG2-CZ 3.64Å; I339-F388 HydrophobicContact CD1-CD1 3.5Å; I339-F388 VanDerWaalsContact CD1-CD1 3.5Å; I339-F388 HydrophobicContact CD1-CE1 3.84Å; I339-F388 HydrophobicContact CG1-CD1 4.21Å; F388-A390 HydrophobicContact CE1-CB 4.07Å; F388-F400 CarbonylContact O-C 3.53Å; F388-F400 VanDerWaalsContact O-CA 3.23Å; F388-F400 WeakPolarHBondContact O-CA 3.43Å; F388-F400 WeakPolarHBondContact O-CB 3.24Å; F388-I401 HydrophobicContact CB-CB 4.17Å; F388-I401 HydrophobicContact CB-CD1 4.18Å; F388-I401 HydrophobicContact CB-CG1 4.32Å; F388-I401 HydrophobicContact CD1-CD1 4.28Å; F388-I401 PolarHBondContact N-O 3.04Å; F388-I401 PolarHBondContact O-N 2.89Å |
| 389 | L | 94.8 | Very high | 91.6 | Very high | 21 Ų | 21 | 48.1 Ų | 48.1 | 11% | 0.11 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 146.1 | 172.2 | 67.1 | 100.8 | 0 | 0 | 0 | 109.2 | I10 F398 A399 F400 V427 | I10-L389 HydrophobicContact CG2-CD2 4.09Å; L389-F398 HydrophobicContact CB-CE2 4.33Å; L389-F398 HydrophobicContact CB-CZ 4.31Å; L389-F398 HydrophobicContact CD1-CE2 4.05Å; L389-F398 HydrophobicContact CD1-CZ 4.43Å; L389-A399 WeakPolarHBondContact CA-O 3.23Å; L389-F400 HydrophobicContact CB-CB 3.81Å; L389-V427 HydrophobicContact CD2-CG1 4.23Å |
| 390 | A | 91.4 | Very high | 91.8 | Very high | 14 Ų | 14 | 47.5 Ų | 47.5 | 12% | 0.116 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157 | 151.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | I339 F388 F398 A399 | I339-A390 HydrophobicContact CD1-CB 3.7Å; I339-A390 HydrophobicContact CG2-CB 4.39Å; F388-A390 HydrophobicContact CE1-CB 4.07Å; A390-F398 WeakPolarHBondContact O-CD2 3.36Å; A390-A399 PolarHBondContact N-O 3.36Å; A390-A399 PolarHBondContact O-N 2.77Å |
| 391 | V | 93.4 | Very high | 91.9 | Very high | 57 Ų | 57 | 42.3 Ų | 42.3 | 35% | 0.345 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 134.5 | 158.4 | -178.6 | 0 | 0 | 0 | 0 | 107.1 | T397 F398 A420 | V391-T397 CarbonylContact C-O 3.6Å; V391-T397 WeakPolarHBondContact CA-O 3.38Å; V391-T397 WeakPolarHBondContact CG1-O 3.48Å; V391-F398 HydrophobicContact CG2-CD2 4.43Å; V391-A420 HydrophobicContact CG1-CB 4.03Å; V391-A420 HydrophobicContact CG2-CB 3.94Å |
| 392 | G | 88.9 | Confident | 91.9 | Very high | 11 Ų | 11 | 43.5 Ų | 43.5 | 11% | 0.113 | 20% | 0.201 | C | C | . | . | trans | -71.6 | -175.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | N340 D394 T397 | N340-G392 VanDerWaalsContact OD1-CA 3.24Å; N340-G392 WeakPolarHBondContact OD1-CA 3.25Å; G392-D394 PolarHBondContact O-N 2.91Å; G392-T397 VanDerWaalsContact CA-OG1 3.24Å; G392-T397 WeakPolarHBondContact CA-OG1 3.25Å; G392-T397 PolarHBondContact N-O 2.93Å; G392-T397 PolarHBondContact N-OG1 3.33Å | ||
| 393 | R | 89.3 | Confident | 91.8 | Very high | 182 Ų | 182 | 38.5 Ų | 38.5 | 69% | 0.687 | 19% | 0.189 | S | C | * | . | S | Bend | trans | -57 | -33.1 | 174.8 | -72.6 | 177.1 | 177.7 | 139.9 | 3.8 | 112.5 | N340 E344 | N340-R393 PolarHBondContact OD1-N 2.87Å; E344-R393 VanDerWaalsContact CD-NH1 3.28Å; E344-R393 IonicContact OE1-CZ 2.71Å; E344-R393 IonicContact OE1-NH1 3.36Å; E344-R393 PolarHBondContact OE1-NH1 3.03Å; E344-R393 IonicContact OE2-NH1 3.67Å; E344-R393 PolarHBondContact OE2-NH1 3.16Å |
| 394 | D | 90.1 | Very high | 91.5 | Very high | 62 Ų | 62 | 41.8 Ų | 41.8 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -89.6 | 129.1 | 171.2 | -170.1 | -31.9 | 0 | 0 | 0 | 109.5 | G392 H396 T397 W415 | G392-D394 PolarHBondContact O-N 2.91Å; D394-H396 PolarHBondContact O-N 3.36Å; D394-H396 VanDerWaalsContact O-N 3.08Å; D394-H396 IonicContact OD1-CE1 3.71Å; D394-H396 IonicContact OD1-CG 3.6Å; D394-H396 PolarHBondContact OD1-N 3.37Å; D394-H396 IonicContact OD1-ND1 3.48Å; D394-H396 PolarHBondContact OD1-ND1 3.46Å; D394-H396 IonicContact OD2-ND1 2.99Å; D394-T397 HydrophobicContact CB-CG2 3.97Å; D394-T397 PolarHBondContact O-N 3.21Å; D394-T397 PolarHBondContact O-OG1 3.45Å; D394-W415 WeakPolarHBondContact OD2-CH2 3.34Å |
| 395 | V | 92.3 | Very high | 91.2 | Very high | 89 Ų | 89 | 36.4 Ų | 36.4 | 54% | 0.539 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -18.7 | 179.5 | -60.2 | 0 | 0 | 0 | 0 | 113.8 | N419 A420 | V395-N419 HydrophobicContact CB-CB 4.48Å; V395-N419 HydrophobicContact CG2-CB 4.43Å; V395-A420 VanDerWaalsContact O-CB 3.27Å; V395-A420 WeakPolarHBondContact O-CB 3.21Å; V395-A420 PolarHBondContact O-N 3.16Å |
| 396 | H | 94 | Very high | 90.7 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 22% | 0.218 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.7 | -15.3 | 175.4 | -53.4 | 86.9 | 0 | 0 | 0 | 112.5 | D394 W415 C416 P418 | D394-H396 PolarHBondContact O-N 3.36Å; D394-H396 VanDerWaalsContact O-N 3.08Å; D394-H396 IonicContact OD1-CE1 3.71Å; D394-H396 IonicContact OD1-CG 3.6Å; D394-H396 PolarHBondContact OD1-N 3.37Å; D394-H396 IonicContact OD1-ND1 3.48Å; D394-H396 PolarHBondContact OD1-ND1 3.46Å; D394-H396 IonicContact OD2-ND1 2.99Å; H396-W415 HydrophobicContact CB-CD2 3.95Å; H396-W415 HydrophobicContact CB-CE3 4.25Å; H396-W415 HydrophobicContact CB-CH2 3.81Å; H396-W415 HydrophobicContact CB-CZ2 3.49Å; H396-W415 VanDerWaalsContact CB-CZ2 3.49Å; H396-W415 HydrophobicContact CB-CZ3 4.18Å; H396-W415 AromaticContact CG-CZ2 3.71Å; H396-W415 CarbonylContact O-C 3.58Å; H396-W415 WeakPolarHBondContact O-CA 3.33Å; H396-C416 WeakPolarHBondContact CB-O 3.27Å; H396-C416 PolarHBondContact CD2-O 3.15Å; H396-C416 PolarHBondContact O-N 3.02Å; H396-P418 PolarHBondContact CD2-O 3.39Å; H396-P418 PolarHBondContact NE2-O 3.12Å; H396-P418 VanDerWaalsContact NE2-O 3.07Å |
| 397 | T | 94.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.7 | -175.6 | 60.5 | 0 | 0 | 0 | 0 | 111.6 | L343 L347 V391 G392 D394 F414 W415 | L343-T397 HydrophobicContact CD2-CG2 4.42Å; L347-T397 HydrophobicContact CD1-CG2 4.04Å; V391-T397 CarbonylContact C-O 3.6Å; V391-T397 WeakPolarHBondContact CA-O 3.38Å; V391-T397 WeakPolarHBondContact CG1-O 3.48Å; G392-T397 VanDerWaalsContact CA-OG1 3.24Å; G392-T397 WeakPolarHBondContact CA-OG1 3.25Å; G392-T397 PolarHBondContact N-O 2.93Å; G392-T397 PolarHBondContact N-OG1 3.33Å; D394-T397 HydrophobicContact CB-CG2 3.97Å; D394-T397 PolarHBondContact O-N 3.21Å; D394-T397 PolarHBondContact O-OG1 3.45Å; T397-F414 WeakPolarHBondContact CA-O 3.38Å; T397-W415 HydrophobicContact CG2-CE3 3.74Å; T397-W415 HydrophobicContact CG2-CZ3 3.79Å |
| 398 | F | 97.4 | Very high | 90.3 | Very high | 1 Ų | 1 | 45 Ų | 45 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141 | 175.4 | 177.7 | -113.5 | 0 | 0 | 0 | 109.8 | L389 A390 V391 F400 F414 A420 L423 V427 | L389-F398 HydrophobicContact CB-CE2 4.33Å; L389-F398 HydrophobicContact CB-CZ 4.31Å; L389-F398 HydrophobicContact CD1-CE2 4.05Å; L389-F398 HydrophobicContact CD1-CZ 4.43Å; A390-F398 WeakPolarHBondContact O-CD2 3.36Å; V391-F398 HydrophobicContact CG2-CD2 4.43Å; F398-F400 AromaticContact CE1-CD1 3.94Å; F398-F400 HydrophobicContact CE1-CD1 3.94Å; F398-F400 HydrophobicContact CZ-CD1 4.41Å; F398-F414 AromaticContact CD1-CD2 3.93Å; F398-F414 HydrophobicContact CD1-CD2 3.93Å; F398-F414 PolarHBondContact N-O 3.02Å; F398-F414 PolarHBondContact O-N 2.93Å; F398-A420 HydrophobicContact CB-CB 3.84Å; F398-L423 HydrophobicContact CD1-CD2 3.58Å; F398-L423 HydrophobicContact CD1-CG 3.83Å; F398-L423 HydrophobicContact CE1-CD2 4.11Å; F398-L423 HydrophobicContact CE1-CG 3.96Å; F398-L423 HydrophobicContact CG-CD2 4.39Å; F398-V427 HydrophobicContact CE1-CG2 4.11Å; F398-V427 HydrophobicContact CZ-CB 4.1Å; F398-V427 HydrophobicContact CZ-CG1 4.31Å; F398-V427 HydrophobicContact CZ-CG2 4.17Å |
| 399 | A | 97.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 157.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | I339 L343 L389 A390 H412 M413 | I339-A399 HydrophobicContact CD1-CB 4.26Å; I339-A399 HydrophobicContact CG1-CB 4.27Å; I339-A399 HydrophobicContact CG2-CB 3.69Å; L343-A399 HydrophobicContact CD1-CB 4.35Å; L389-A399 WeakPolarHBondContact CA-O 3.23Å; A390-A399 PolarHBondContact N-O 3.36Å; A390-A399 PolarHBondContact O-N 2.77Å; A399-H412 CarbonylContact C-O 3.55Å; A399-H412 WeakPolarHBondContact CA-O 3.42Å; A399-H412 VanDerWaalsContact CB-O 3.25Å; A399-H412 WeakPolarHBondContact CB-O 3.46Å; A399-M413 HydrophobicContact CB-CG 3.9Å |
| 400 | F | 96.7 | Very high | 90.4 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 149.2 | 169.1 | 61.8 | -101.2 | 0 | 0 | 0 | 111.4 | L367 C381 L386 F388 L389 F398 C411 H412 F414 | L367-F400 HydrophobicContact CD1-CD1 4.35Å; L367-F400 HydrophobicContact CD1-CE1 3.88Å; L367-F400 HydrophobicContact CD1-CZ 4.01Å; C381-F400 HydrophobicContact CB-CE2 3.84Å; C381-F400 HydrophobicContact CB-CZ 3.92Å; L386-F400 HydrophobicContact CD1-CD2 4.36Å; L386-F400 HydrophobicContact CD1-CE2 4.47Å; L386-F400 HydrophobicContact CD2-CB 3.9Å; L386-F400 HydrophobicContact CD2-CD1 4.45Å; L386-F400 HydrophobicContact CD2-CD2 3.92Å; L386-F400 HydrophobicContact CD2-CG 3.84Å; L386-F400 HydrophobicContact CG-CD2 3.92Å; L386-F400 HydrophobicContact CG-CG 4.34Å; F388-F400 CarbonylContact O-C 3.53Å; F388-F400 VanDerWaalsContact O-CA 3.23Å; F388-F400 WeakPolarHBondContact O-CA 3.43Å; F388-F400 WeakPolarHBondContact O-CB 3.24Å; L389-F400 HydrophobicContact CB-CB 3.81Å; F398-F400 AromaticContact CE1-CD1 3.94Å; F398-F400 HydrophobicContact CE1-CD1 3.94Å; F398-F400 HydrophobicContact CZ-CD1 4.41Å; F400-C411 CarbonylContact O-C 3.6Å; F400-C411 WeakPolarHBondContact O-CA 3.35Å; F400-H412 HydrophobicContact CD2-CB 4.25Å; F400-H412 HydrophobicContact CE1-CB 4.16Å; F400-H412 HydrophobicContact CE2-CB 3.74Å; F400-H412 AromaticContact CE2-CD2 3.9Å; F400-H412 AromaticContact CE2-CG 3.87Å; F400-H412 HydrophobicContact CZ-CB 3.68Å; F400-H412 PolarHBondContact N-O 3.44Å; F400-H412 PolarHBondContact O-N 2.69Å; F400-F414 AromaticContact CD1-CE2 3.89Å; F400-F414 HydrophobicContact CD1-CE2 3.89Å; F400-F414 HydrophobicContact CE1-CD2 4.49Å; F400-F414 AromaticContact CE1-CE2 3.37Å; F400-F414 HydrophobicContact CE1-CE2 3.37Å; F400-F414 AromaticContact CE1-CZ 3.74Å; F400-F414 HydrophobicContact CE1-CZ 3.74Å; F400-F414 HydrophobicContact CZ-CE2 4.1Å; F400-F414 HydrophobicContact CZ-CZ 4.15Å |
| 401 | I | 94.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 131.3 | 175.1 | -55.4 | 176.8 | 0 | 0 | 0 | 108.4 | V330 V338 I339 L386 S387 F388 F409 C410 C411 | V330-I401 HydrophobicContact CG2-CD1 4.19Å; V330-I401 HydrophobicContact CG2-CG1 4.31Å; V330-I401 HydrophobicContact CG2-CG2 3.72Å; V338-I401 HydrophobicContact CB-CD1 4.4Å; V338-I401 HydrophobicContact CG1-CD1 4.03Å; I339-I401 HydrophobicContact CD1-CG1 4.32Å; I339-I401 HydrophobicContact CG1-CD1 4.08Å; I339-I401 HydrophobicContact CG1-CG1 4.01Å; L386-I401 WeakPolarHBondContact CA-O 3.4Å; S387-I401 PolarHBondContact N-O 3.3Å; S387-I401 WeakPolarHBondContact OG-CG2 3.24Å; S387-I401 PolarHBondContact OG-O 3.43Å; F388-I401 HydrophobicContact CB-CB 4.17Å; F388-I401 HydrophobicContact CB-CD1 4.18Å; F388-I401 HydrophobicContact CB-CG1 4.32Å; F388-I401 HydrophobicContact CD1-CD1 4.28Å; F388-I401 PolarHBondContact N-O 3.04Å; F388-I401 PolarHBondContact O-N 2.89Å; I401-F409 HydrophobicContact CG2-CB 3.81Å; I401-C410 CarbonylContact C-O 3.6Å; I401-C410 WeakPolarHBondContact CA-O 3.43Å; I401-C411 HydrophobicContact CG1-CB 4.31Å |
| 402 | M | 92.5 | Very high | 90.8 | Very high | 25 Ų | 25 | 43 Ų | 43 | 12% | 0.123 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 144 | 173 | 65.4 | 178.7 | -71.9 | 0 | 0 | 112 | C381 F385 A404 F409 C410 H412 | C381-M402 HydrophobicContact CB-SD 4.05Å; C381-M402 VanDerWaalsContact SG-SD 3.65Å; F385-M402 CarbonylContact O-C 3.59Å; F385-M402 VanDerWaalsContact O-CA 3.25Å; F385-M402 WeakPolarHBondContact O-CA 3.35Å; M402-A404 PolarHBondContact O-N 2.82Å; M402-F409 CarbonylContact O-C 3.59Å; M402-F409 VanDerWaalsContact O-CA 3.31Å; M402-F409 WeakPolarHBondContact O-CA 3.36Å; M402-C410 HydrophobicContact CG-CB 4.18Å; M402-C410 PolarHBondContact N-O 2.82Å; M402-C410 PolarHBondContact O-N 2.91Å; M402-H412 PolarHBondContact SD-NE2 3.23Å |
| 403 | A | 87.9 | Confident | 91.2 | Very high | 31 Ų | 31 | 42.5 Ų | 42.5 | 26% | 0.256 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 116.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | F385 F409 | F385-A403 PolarHBondContact O-N 3.14Å; A403-F409 HydrophobicContact CB-CD1 4.16Å; A403-F409 HydrophobicContact CB-CE1 4.23Å |
| 404 | A | 82.3 | Confident | 91.6 | Very high | 71 Ų | 71 | 33.8 Ų | 33.8 | 59% | 0.587 | 23% | 0.227 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.5 | -18.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M402 S408 | M402-A404 PolarHBondContact O-N 2.82Å; A404-S408 PolarHBondContact N-O 2.7Å |
| 405 | G | 78.9 | Confident | 91.9 | Very high | 30 Ų | 30 | 31.9 Ų | 31.9 | 31% | 0.309 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -177 | -175.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A407 S408 | G405-A407 PolarHBondContact O-N 2.91Å; G405-A407 VanDerWaalsContact O-N 3.09Å; G405-S408 PolarHBondContact N-O 2.88Å; G405-S408 PolarHBondContact O-N 2.96Å; G405-S408 VanDerWaalsContact O-N 3.13Å |
| 406 | P | 78.5 | Confident | 92 | Very high | 138 Ų | 138 | 27.9 Ų | 27.9 | 90% | 0.896 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 115.3 | 174.6 | -21 | 32.9 | 0 | 0 | 0 | 110.4 | S408 | P406-S408 PolarHBondContact O-N 2.89Å; P406-S408 VanDerWaalsContact O-N 3.13Å |
| 407 | A | 81.9 | Confident | 91.8 | Very high | 92 Ų | 92 | 30 Ų | 30 | 76% | 0.76 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57 | 19.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | G405 | G405-A407 PolarHBondContact O-N 2.91Å; G405-A407 VanDerWaalsContact O-N 3.09Å |
| 408 | S | 89.2 | Confident | 91.6 | Very high | 60 Ų | 60 | 34.7 Ų | 34.7 | 42% | 0.42 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.2 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 109.7 | A404 G405 P406 | A404-S408 PolarHBondContact N-O 2.7Å; G405-S408 PolarHBondContact N-O 2.88Å; G405-S408 PolarHBondContact O-N 2.96Å; G405-S408 VanDerWaalsContact O-N 3.13Å; P406-S408 PolarHBondContact O-N 2.89Å; P406-S408 VanDerWaalsContact O-N 3.13Å |
| 409 | F | 92.8 | Very high | 91.4 | Very high | 29 Ų | 29 | 37.7 Ų | 37.7 | 13% | 0.127 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 145.3 | -176.7 | -48.4 | -72.4 | 0 | 0 | 0 | 110.6 | P329 V330 P333 I401 M402 A403 | P329-F409 CarbonylContact C-O 3.6Å; P329-F409 WeakPolarHBondContact CA-O 3.26Å; V330-F409 HydrophobicContact CG2-CB 3.62Å; V330-F409 PolarHBondContact N-O 3.33Å; P333-F409 HydrophobicContact CB-CD1 3.85Å; P333-F409 HydrophobicContact CB-CE1 3.56Å; P333-F409 HydrophobicContact CB-CE2 4.23Å; P333-F409 HydrophobicContact CB-CG 4.32Å; P333-F409 HydrophobicContact CB-CZ 3.75Å; P333-F409 HydrophobicContact CG-CE1 4.28Å; P333-F409 HydrophobicContact CG-CE2 4.3Å; P333-F409 HydrophobicContact CG-CZ 3.97Å; I401-F409 HydrophobicContact CG2-CB 3.81Å; M402-F409 CarbonylContact O-C 3.59Å; M402-F409 VanDerWaalsContact O-CA 3.31Å; M402-F409 WeakPolarHBondContact O-CA 3.36Å; A403-F409 HydrophobicContact CB-CD1 4.16Å; A403-F409 HydrophobicContact CB-CE1 4.23Å |
| 410 | C | 94.9 | Very high | 91.2 | Very high | 18 Ų | 18 | 37.8 Ų | 37.8 | 12% | 0.122 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 131.5 | 178.7 | -163.7 | 0 | 0 | 0 | 0 | 109.7 | N327 V328 I401 M402 | N327-C410 VanDerWaalsContact CB-SG 3.57Å; N327-C410 PolarHBondContact OD1-SG 3.28Å; V328-C410 WeakPolarHBondContact O-CA 3.37Å; I401-C410 CarbonylContact C-O 3.6Å; I401-C410 WeakPolarHBondContact CA-O 3.43Å; M402-C410 HydrophobicContact CG-CB 4.18Å; M402-C410 PolarHBondContact N-O 2.82Å; M402-C410 PolarHBondContact O-N 2.91Å |
| 411 | C | 96.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 119.3 | 176.7 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | N327 V328 V330 A342 F400 I401 | N327-C411 CarbonylContact C-O 3.47Å; N327-C411 WeakPolarHBondContact CA-O 3.27Å; N327-C411 WeakPolarHBondContact CB-O 3.38Å; V328-C411 HydrophobicContact CG2-CB 4.17Å; V328-C411 PolarHBondContact N-O 2.9Å; V328-C411 PolarHBondContact O-N 3.01Å; V330-C411 HydrophobicContact CG1-CB 3.61Å; V330-C411 HydrophobicContact CG2-CB 4.38Å; A342-C411 HydrophobicContact CB-CB 4.42Å; F400-C411 CarbonylContact O-C 3.6Å; F400-C411 WeakPolarHBondContact O-CA 3.35Å; I401-C411 HydrophobicContact CG1-CB 4.31Å |
| 412 | H | 97.2 | Very high | 90.5 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 7% | 0.065 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 134.4 | 173.2 | -71.7 | -107.1 | 0 | 0 | 0 | 109.5 | Y324 A399 F400 M402 F414 | Y324-H412 HydrophobicContact CE2-CB 4.44Å; Y324-H412 AromaticContact CZ-ND1 3.92Å; Y324-H412 PolarHBondContact OH-ND1 3.08Å; Y324-H412 VanDerWaalsContact OH-ND1 3.08Å; A399-H412 CarbonylContact C-O 3.55Å; A399-H412 WeakPolarHBondContact CA-O 3.42Å; A399-H412 VanDerWaalsContact CB-O 3.25Å; A399-H412 WeakPolarHBondContact CB-O 3.46Å; F400-H412 HydrophobicContact CD2-CB 4.25Å; F400-H412 HydrophobicContact CE1-CB 4.16Å; F400-H412 HydrophobicContact CE2-CB 3.74Å; F400-H412 AromaticContact CE2-CD2 3.9Å; F400-H412 AromaticContact CE2-CG 3.87Å; F400-H412 HydrophobicContact CZ-CB 3.68Å; F400-H412 PolarHBondContact N-O 3.44Å; F400-H412 PolarHBondContact O-N 2.69Å; M402-H412 PolarHBondContact SD-NE2 3.23Å; H412-F414 HydrophobicContact CB-CE2 3.84Å; H412-F414 HydrophobicContact CB-CZ 4.02Å |
| 413 | M | 96.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.5 | -170.4 | -65.9 | 162.7 | -69.4 | 0 | 0 | 111.7 | Y324 L325 G326 V328 A342 L343 V346 A399 | Y324-M413 WeakPolarHBondContact CD2-O 3.44Å; L325-M413 HydrophobicContact CB-CB 3.9Å; L325-M413 WeakPolarHBondContact CB-O 3.37Å; L325-M413 HydrophobicContact CD1-CB 4Å; L325-M413 PolarHBondContact N-O 2.91Å; G326-M413 PolarHBondContact O-N 2.98Å; G326-M413 VanDerWaalsContact O-N 3.08Å; V328-M413 HydrophobicContact CB-CE 4.32Å; V328-M413 HydrophobicContact CG1-CE 3.9Å; V328-M413 HydrophobicContact CG2-CE 3.7Å; V328-M413 HydrophobicContact CG2-SD 4.39Å; A342-M413 VanDerWaalsContact C-SD 3.54Å; A342-M413 HydrophobicContact CB-SD 3.78Å; L343-M413 HydrophobicContact CD2-CB 3.73Å; L343-M413 HydrophobicContact CD2-CG 3.68Å; L343-M413 HydrophobicContact CD2-SD 4.07Å; L343-M413 HydrophobicContact CG-CG 4.08Å; L343-M413 HydrophobicContact CG-SD 4.22Å; V346-M413 HydrophobicContact CG2-CE 3.63Å; V346-M413 HydrophobicContact CG2-SD 4.06Å; A399-M413 HydrophobicContact CB-CG 3.9Å |
| 414 | F | 97.4 | Very high | 90.7 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 146.4 | -174 | -51.3 | -89.8 | 0 | 0 | 0 | 111.1 | V322 Y323 Y324 V360 I369 T397 F398 F400 H412 | V322-F414 HydrophobicContact CB-CB 4.49Å; V322-F414 HydrophobicContact CG2-CD1 3.88Å; Y323-F414 WeakPolarHBondContact O-CA 3.23Å; Y324-F414 AromaticContact CD2-CD1 3.73Å; Y324-F414 HydrophobicContact CD2-CD1 3.73Å; Y324-F414 AromaticContact CD2-CE1 3.41Å; Y324-F414 HydrophobicContact CD2-CE1 3.41Å; Y324-F414 VanDerWaalsContact CD2-CE1 3.41Å; Y324-F414 HydrophobicContact CD2-CZ 4.06Å; Y324-F414 HydrophobicContact CE2-CD1 4.48Å; Y324-F414 AromaticContact CE2-CE1 3.86Å; Y324-F414 HydrophobicContact CE2-CE1 3.86Å; Y324-F414 HydrophobicContact CE2-CZ 4.04Å; Y324-F414 HydrophobicContact CG-CE1 4.41Å; V360-F414 HydrophobicContact CG2-CD1 3.76Å; V360-F414 HydrophobicContact CG2-CE1 3.47Å; V360-F414 VanDerWaalsContact CG2-CE1 3.47Å; V360-F414 HydrophobicContact CG2-CZ 4.19Å; I369-F414 HydrophobicContact CD1-CE1 3.8Å; I369-F414 HydrophobicContact CD1-CZ 3.58Å; I369-F414 HydrophobicContact CG1-CE1 3.95Å; I369-F414 HydrophobicContact CG1-CZ 4Å; I369-F414 HydrophobicContact CG2-CE1 4.12Å; T397-F414 WeakPolarHBondContact CA-O 3.38Å; F398-F414 AromaticContact CD1-CD2 3.93Å; F398-F414 HydrophobicContact CD1-CD2 3.93Å; F398-F414 PolarHBondContact N-O 3.02Å; F398-F414 PolarHBondContact O-N 2.93Å; F400-F414 AromaticContact CD1-CE2 3.89Å; F400-F414 HydrophobicContact CD1-CE2 3.89Å; F400-F414 HydrophobicContact CE1-CD2 4.49Å; F400-F414 AromaticContact CE1-CE2 3.37Å; F400-F414 HydrophobicContact CE1-CE2 3.37Å; F400-F414 AromaticContact CE1-CZ 3.74Å; F400-F414 HydrophobicContact CE1-CZ 3.74Å; F400-F414 HydrophobicContact CZ-CE2 4.1Å; F400-F414 HydrophobicContact CZ-CZ 4.15Å; H412-F414 HydrophobicContact CB-CE2 3.84Å; H412-F414 HydrophobicContact CB-CZ 4.02Å |
| 415 | W | 96.5 | Very high | 90.9 | Very high | 22 Ų | 22 | 44.9 Ų | 44.9 | 8% | 0.083 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 126.2 | 165 | -176.4 | -79.2 | 0 | 0 | 0 | 109.7 | V322 Y323 L325 L347 W355 D394 H396 T397 E417 | V322-W415 CarbonylContact C-O 3.57Å; V322-W415 WeakPolarHBondContact CA-O 3.5Å; V322-W415 WeakPolarHBondContact CB-O 3.4Å; Y323-W415 PolarHBondContact N-O 2.86Å; Y323-W415 PolarHBondContact O-N 3.46Å; L325-W415 HydrophobicContact CD1-CB 4.43Å; L347-W415 HydrophobicContact CD2-CE3 4.35Å; L347-W415 HydrophobicContact CD2-CZ3 4.47Å; W355-W415 HydrophobicContact CE3-CB 3.99Å; W355-W415 HydrophobicContact CE3-CD2 4.45Å; W355-W415 HydrophobicContact CE3-CG 4.07Å; W355-W415 AromaticContact CH2-CD2 3.84Å; W355-W415 HydrophobicContact CH2-CD2 3.84Å; W355-W415 AromaticContact CH2-CE3 3.6Å; W355-W415 HydrophobicContact CH2-CE3 3.6Å; W355-W415 HydrophobicContact CH2-CG 4.3Å; W355-W415 HydrophobicContact CH2-CZ3 4.08Å; W355-W415 HydrophobicContact CZ3-CB 3.82Å; W355-W415 AromaticContact CZ3-CD2 3.44Å; W355-W415 HydrophobicContact CZ3-CD2 3.44Å; W355-W415 VanDerWaalsContact CZ3-CD2 3.44Å; W355-W415 AromaticContact CZ3-CE3 3.71Å; W355-W415 HydrophobicContact CZ3-CE3 3.71Å; W355-W415 AromaticContact CZ3-CG 3.47Å; W355-W415 HydrophobicContact CZ3-CG 3.47Å; W355-W415 VanDerWaalsContact CZ3-CG 3.47Å; D394-W415 WeakPolarHBondContact OD2-CH2 3.34Å; H396-W415 HydrophobicContact CB-CD2 3.95Å; H396-W415 HydrophobicContact CB-CE3 4.25Å; H396-W415 HydrophobicContact CB-CH2 3.81Å; H396-W415 HydrophobicContact CB-CZ2 3.49Å; H396-W415 VanDerWaalsContact CB-CZ2 3.49Å; H396-W415 HydrophobicContact CB-CZ3 4.18Å; H396-W415 AromaticContact CG-CZ2 3.71Å; H396-W415 CarbonylContact O-C 3.58Å; H396-W415 WeakPolarHBondContact O-CA 3.33Å; T397-W415 HydrophobicContact CG2-CE3 3.74Å; T397-W415 HydrophobicContact CG2-CZ3 3.79Å; W415-E417 PolarHBondContact NE1-OE1 3.38Å |
| 416 | C | 95 | Very high | 91.5 | Very high | 4 Ų | 4 | 43.7 Ų | 43.7 | 3% | 0.027 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 139.4 | -172 | -52.6 | 0 | 0 | 0 | 0 | 110.5 | V322 H396 N419 A420 | V322-C416 HydrophobicContact CG1-CB 4.3Å; H396-C416 WeakPolarHBondContact CB-O 3.27Å; H396-C416 PolarHBondContact CD2-O 3.15Å; H396-C416 PolarHBondContact O-N 3.02Å; C416-N419 VanDerWaalsContact CB-O 3.26Å; C416-N419 WeakPolarHBondContact CB-O 3.42Å; C416-A420 HydrophobicContact CB-CB 4.34Å |
| 417 | E | 90.3 | Very high | 92.2 | Very high | 92 Ų | 92 | 37.2 Ų | 37.2 | 43% | 0.43 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -122.7 | 131.8 | 176.8 | -69 | -72 | 169.4 | 0 | 0 | 108.7 | R352 W415 | R352-E417 IonicContact CZ-OE1 3.99Å; R352-E417 IonicContact NH2-OE1 3.78Å; R352-E417 PolarHBondContact NH2-OE1 2.89Å; W415-E417 PolarHBondContact NE1-OE1 3.38Å |
| 418 | P | 89.9 | Confident | 92.4 | Very high | 101 Ų | 101 | 36.8 Ų | 36.8 | 66% | 0.656 | 21% | 0.21 | S | C | * | . | S | Bend | cis | -79.7 | -12.4 | 1.3 | 33.2 | -36.8 | 0 | 0 | 0 | 114.4 | H396 | H396-P418 PolarHBondContact CD2-O 3.39Å; H396-P418 PolarHBondContact NE2-O 3.12Å; H396-P418 VanDerWaalsContact NE2-O 3.07Å |
| 419 | N | 93.1 | Very high | 92.2 | Very high | 64 Ų | 64 | 35.6 Ų | 35.6 | 34% | 0.342 | 20% | 0.203 | S | C | . | . | trans | -164.8 | 176.6 | 172.3 | 58.6 | 58.1 | 0 | 0 | 0 | 110 | V395 C416 A421 | V395-N419 HydrophobicContact CB-CB 4.48Å; V395-N419 HydrophobicContact CG2-CB 4.43Å; C416-N419 VanDerWaalsContact CB-O 3.26Å; C416-N419 WeakPolarHBondContact CB-O 3.42Å; N419-A421 VanDerWaalsContact C-N 3.34Å; N419-A421 PolarHBondContact O-N 2.82Å; N419-A421 WeakPolarHBondContact OD1-CB 3.24Å; N419-A421 PolarHBondContact OD1-N 3.43Å | ||
| 420 | A | 92.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.008 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -77.5 | -10 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | V391 V395 F398 C416 S422 L423 S424 | V391-A420 HydrophobicContact CG1-CB 4.03Å; V391-A420 HydrophobicContact CG2-CB 3.94Å; V395-A420 VanDerWaalsContact O-CB 3.27Å; V395-A420 WeakPolarHBondContact O-CB 3.21Å; V395-A420 PolarHBondContact O-N 3.16Å; F398-A420 HydrophobicContact CB-CB 3.84Å; C416-A420 HydrophobicContact CB-CB 4.34Å; A420-S422 PolarHBondContact O-N 3.18Å; A420-L423 PolarHBondContact O-N 3.48Å; A420-S424 PolarHBondContact O-N 3.4Å; A420-S424 PolarHBondContact O-OG 2.69Å |
| 421 | A | 85.9 | Confident | 91.4 | Very high | 50 Ų | 50 | 33.8 Ų | 33.8 | 41% | 0.413 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -56.2 | -51.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | N419 L423 S424 E425 | N419-A421 VanDerWaalsContact C-N 3.34Å; N419-A421 PolarHBondContact O-N 2.82Å; N419-A421 WeakPolarHBondContact OD1-CB 3.24Å; N419-A421 PolarHBondContact OD1-N 3.43Å; A421-L423 PolarHBondContact O-N 3.41Å; A421-S424 WeakPolarHBondContact CA-OG 3.36Å; A421-S424 PolarHBondContact O-N 2.89Å; A421-S424 PolarHBondContact O-OG 3.38Å; A421-E425 VanDerWaalsContact O-CB 3.29Å; A421-E425 WeakPolarHBondContact O-CB 3.46Å; A421-E425 PolarHBondContact O-N 3.07Å |
| 422 | S | 90.1 | Very high | 90.8 | Very high | 70 Ų | 70 | 38.2 Ų | 38.2 | 49% | 0.49 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -64.5 | -38.9 | -177.1 | -50.9 | 0 | 0 | 0 | 0 | 112.8 | A420 A426 | A420-S422 PolarHBondContact O-N 3.18Å; S422-A426 WeakPolarHBondContact O-CB 3.33Å; S422-A426 PolarHBondContact O-N 3.49Å; S422-A426 VanDerWaalsContact O-N 3.11Å |
| 423 | L | 93.1 | Very high | 90 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -70.8 | -45.3 | 177.5 | 177.5 | 60.1 | 0 | 0 | 0 | 110.9 | F320 V322 V360 V362 F398 A420 A421 E425 A426 V427 | F320-L423 HydrophobicContact CB-CD1 4.12Å; F320-L423 HydrophobicContact CD1-CB 4.46Å; F320-L423 HydrophobicContact CD2-CD1 3.63Å; F320-L423 HydrophobicContact CE2-CD1 4.26Å; F320-L423 HydrophobicContact CG-CB 4.34Å; F320-L423 HydrophobicContact CG-CD1 3.91Å; V322-L423 HydrophobicContact CG1-CD2 3.83Å; V360-L423 HydrophobicContact CB-CD1 4.07Å; V360-L423 HydrophobicContact CG1-CD1 3.88Å; V360-L423 HydrophobicContact CG2-CD2 4.49Å; V362-L423 HydrophobicContact CG2-CD1 4Å; F398-L423 HydrophobicContact CD1-CD2 3.58Å; F398-L423 HydrophobicContact CD1-CG 3.83Å; F398-L423 HydrophobicContact CE1-CD2 4.11Å; F398-L423 HydrophobicContact CE1-CG 3.96Å; F398-L423 HydrophobicContact CG-CD2 4.39Å; A420-L423 PolarHBondContact O-N 3.48Å; A421-L423 PolarHBondContact O-N 3.41Å; L423-E425 VanDerWaalsContact C-N 3.32Å; L423-E425 PolarHBondContact O-N 2.88Å; L423-A426 PolarHBondContact O-N 3.16Å; L423-V427 HydrophobicContact CD1-CG2 4Å; L423-V427 HydrophobicContact CG-CG2 4.49Å; L423-V427 WeakPolarHBondContact O-CG2 3.31Å; L423-V427 PolarHBondContact O-N 3.39Å |
| 424 | S | 92.1 | Very high | 89.1 | Confident | 17 Ų | 17 | 45 Ų | 45 | 12% | 0.119 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.9 | -42.3 | 178.7 | 54.6 | 0 | 0 | 0 | 0 | 112 | A420 A421 V427 Q428 | A420-S424 PolarHBondContact O-N 3.4Å; A420-S424 PolarHBondContact O-OG 2.69Å; A421-S424 WeakPolarHBondContact CA-OG 3.36Å; A421-S424 PolarHBondContact O-N 2.89Å; A421-S424 PolarHBondContact O-OG 3.38Å; S424-V427 PolarHBondContact O-N 3.47Å; S424-Q428 VanDerWaalsContact O-CB 3.24Å; S424-Q428 WeakPolarHBondContact O-CB 3.36Å; S424-Q428 PolarHBondContact O-N 2.92Å |
| 425 | E | 87.4 | Confident | 87.9 | Confident | 135 Ų | 135 | 48.3 Ų | 48.3 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 178.5 | -175.3 | 179.7 | -175.1 | 0 | 0 | 111.2 | A421 L423 V427 Q428 A429 | A421-E425 VanDerWaalsContact O-CB 3.29Å; A421-E425 WeakPolarHBondContact O-CB 3.46Å; A421-E425 PolarHBondContact O-N 3.07Å; L423-E425 VanDerWaalsContact C-N 3.32Å; L423-E425 PolarHBondContact O-N 2.88Å; E425-V427 PolarHBondContact O-N 3.39Å; E425-Q428 PolarHBondContact O-N 2.88Å; E425-A429 VanDerWaalsContact O-CB 3.31Å; E425-A429 WeakPolarHBondContact O-CB 3.5Å; E425-A429 PolarHBondContact O-N 2.93Å |
| 426 | A | 90.4 | Very high | 86.8 | Confident | 6 Ų | 6 | 51.7 Ų | 51.7 | 5% | 0.05 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F320 V362 S422 L423 A429 A430 | F320-A426 HydrophobicContact CE1-CB 4.45Å; F320-A426 HydrophobicContact CE2-CB 3.5Å; F320-A426 VanDerWaalsContact CE2-CB 3.5Å; F320-A426 HydrophobicContact CZ-CB 3.37Å; V362-A426 HydrophobicContact CG1-CB 4.31Å; V362-A426 HydrophobicContact CG2-CB 4.4Å; S422-A426 WeakPolarHBondContact O-CB 3.33Å; S422-A426 PolarHBondContact O-N 3.49Å; S422-A426 VanDerWaalsContact O-N 3.11Å; L423-A426 PolarHBondContact O-N 3.16Å; A426-A429 PolarHBondContact O-N 3.17Å; A426-A430 PolarHBondContact O-N 3.46Å |
| 427 | V | 93.8 | Very high | 85.8 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.006 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.9 | -41.5 | 176.9 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | V362 L367 L386 L389 F398 L423 S424 E425 A430 C431 | V362-V427 HydrophobicContact CG2-CG2 4.03Å; L367-V427 HydrophobicContact CD1-CG1 3.81Å; L367-V427 HydrophobicContact CD1-CG2 4.1Å; L367-V427 HydrophobicContact CD2-CG2 4.14Å; L386-V427 HydrophobicContact CD2-CG1 3.81Å; L389-V427 HydrophobicContact CD2-CG1 4.23Å; F398-V427 HydrophobicContact CE1-CG2 4.11Å; F398-V427 HydrophobicContact CZ-CB 4.1Å; F398-V427 HydrophobicContact CZ-CG1 4.31Å; F398-V427 HydrophobicContact CZ-CG2 4.17Å; L423-V427 HydrophobicContact CD1-CG2 4Å; L423-V427 HydrophobicContact CG-CG2 4.49Å; L423-V427 WeakPolarHBondContact O-CG2 3.31Å; L423-V427 PolarHBondContact O-N 3.39Å; S424-V427 PolarHBondContact O-N 3.47Å; E425-V427 PolarHBondContact O-N 3.39Å; V427-A430 PolarHBondContact O-N 2.57Å; V427-C431 PolarHBondContact O-N 2.76Å; V427-C431 PolarHBondContact O-SG 3.1Å; V427-C431 VanDerWaalsContact O-SG 3.36Å |
| 428 | Q | 86.3 | Confident | 84.9 | Confident | 84 Ų | 84 | 56.4 Ų | 56.4 | 39% | 0.393 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.1 | -46 | 175.1 | -178.3 | 178.3 | -20.2 | 0 | 0 | 111.5 | S424 E425 A430 C431 M432 | S424-Q428 VanDerWaalsContact O-CB 3.24Å; S424-Q428 WeakPolarHBondContact O-CB 3.36Å; S424-Q428 PolarHBondContact O-N 2.92Å; E425-Q428 PolarHBondContact O-N 2.88Å; Q428-A430 VanDerWaalsContact C-N 3.33Å; Q428-A430 PolarHBondContact O-N 2.84Å; Q428-C431 WeakPolarHBondContact O-CB 3.4Å; Q428-C431 PolarHBondContact O-N 2.78Å; Q428-M432 HydrophobicContact CG-CE 4.28Å; Q428-M432 WeakPolarHBondContact O-CG 3.34Å; Q428-M432 PolarHBondContact O-N 3.3Å |
| 429 | A | 85.3 | Confident | 83.9 | Confident | 34 Ų | 34 | 54 Ų | 54 | 28% | 0.281 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | E425 A426 C431 M432 L433 | E425-A429 VanDerWaalsContact O-CB 3.31Å; E425-A429 WeakPolarHBondContact O-CB 3.5Å; E425-A429 PolarHBondContact O-N 2.93Å; A426-A429 PolarHBondContact O-N 3.17Å; A429-C431 VanDerWaalsContact C-N 3.35Å; A429-C431 PolarHBondContact O-N 3.27Å; A429-M432 HydrophobicContact CB-CE 4.47Å; A429-M432 PolarHBondContact O-N 2.88Å; A429-L433 WeakPolarHBondContact O-CB 3.46Å; A429-L433 WeakPolarHBondContact O-CG 3.49Å; A429-L433 PolarHBondContact O-N 3.42Å |
| 430 | A | 86.5 | Confident | 82.6 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 6% | 0.058 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.2 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V362 V383 A426 V427 Q428 R434 | V362-A430 HydrophobicContact CG1-CB 4.01Å; V383-A430 HydrophobicContact CG2-CB 4.32Å; A426-A430 PolarHBondContact O-N 3.46Å; V427-A430 PolarHBondContact O-N 2.57Å; Q428-A430 VanDerWaalsContact C-N 3.33Å; Q428-A430 PolarHBondContact O-N 2.84Å; A430-R434 WeakPolarHBondContact O-CB 3.31Å; A430-R434 PolarHBondContact O-N 3.37Å; A430-R434 VanDerWaalsContact O-N 3.15Å |
| 431 | C | 84.7 | Confident | 81.1 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.014 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.9 | -51.6 | 173 | -69.8 | 0 | 0 | 0 | 0 | 111.3 | F7 V383 V427 Q428 A429 L433 R434 Y435 | F7-C431 HydrophobicContact CZ-CB 4.16Å; F7-C431 VanDerWaalsContact CZ-O 3.27Å; F7-C431 WeakPolarHBondContact CZ-O 3.18Å; V383-C431 HydrophobicContact CG1-CB 4.39Å; V427-C431 PolarHBondContact O-N 2.76Å; V427-C431 PolarHBondContact O-SG 3.1Å; V427-C431 VanDerWaalsContact O-SG 3.36Å; Q428-C431 WeakPolarHBondContact O-CB 3.4Å; Q428-C431 PolarHBondContact O-N 2.78Å; A429-C431 VanDerWaalsContact C-N 3.35Å; A429-C431 PolarHBondContact O-N 3.27Å; C431-L433 PolarHBondContact O-N 3.43Å; C431-R434 WeakPolarHBondContact O-CB 3.32Å; C431-R434 PolarHBondContact O-N 3.16Å; C431-R434 VanDerWaalsContact O-N 3.16Å; C431-Y435 PolarHBondContact O-N 3.31Å |
| 432 | M | 81.4 | Confident | 79.6 | Confident | 93 Ų | 93 | 61 Ų | 61 | 46% | 0.458 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.9 | -46.7 | -179 | -70.2 | -169.9 | -62.4 | 0 | 0 | 112.5 | Q428 A429 R434 Y435 Q436 | Q428-M432 HydrophobicContact CG-CE 4.28Å; Q428-M432 WeakPolarHBondContact O-CG 3.34Å; Q428-M432 PolarHBondContact O-N 3.3Å; A429-M432 HydrophobicContact CB-CE 4.47Å; A429-M432 PolarHBondContact O-N 2.88Å; M432-R434 VanDerWaalsContact C-N 3.27Å; M432-R434 PolarHBondContact O-N 2.81Å; M432-Y435 WeakPolarHBondContact O-CB 3.32Å; M432-Y435 PolarHBondContact O-N 3.49Å; M432-Y435 VanDerWaalsContact O-N 3.14Å; M432-Q436 PolarHBondContact O-N 3.09Å |
| 433 | L | 81.2 | Confident | 77.4 | Confident | 100 Ų | 100 | 60.4 Ų | 60.4 | 52% | 0.524 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.5 | -38.4 | 177.5 | -74.6 | 173.1 | 0 | 0 | 0 | 112.2 | A429 C431 Y435 K437 | A429-L433 WeakPolarHBondContact O-CB 3.46Å; A429-L433 WeakPolarHBondContact O-CG 3.49Å; A429-L433 PolarHBondContact O-N 3.42Å; C431-L433 PolarHBondContact O-N 3.43Å; L433-Y435 VanDerWaalsContact C-N 3.34Å; L433-K437 WeakPolarHBondContact O-CG 3.37Å; L433-K437 PolarHBondContact O-N 3.33Å; L433-K437 VanDerWaalsContact O-N 3.1Å |
| 434 | R | 78 | Confident | 75.1 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 22% | 0.215 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.9 | -39.8 | 177.1 | -173.1 | 175.8 | -168.9 | 109.5 | 11.1 | 111.7 | A365 V383 A430 C431 M432 C438 | A365-R434 PolarHBondContact O-NH1 3.26Å; V383-R434 HydrophobicContact CG1-CB 4.11Å; A430-R434 WeakPolarHBondContact O-CB 3.31Å; A430-R434 PolarHBondContact O-N 3.37Å; A430-R434 VanDerWaalsContact O-N 3.15Å; C431-R434 WeakPolarHBondContact O-CB 3.32Å; C431-R434 PolarHBondContact O-N 3.16Å; C431-R434 VanDerWaalsContact O-N 3.16Å; M432-R434 VanDerWaalsContact C-N 3.27Å; M432-R434 PolarHBondContact O-N 2.81Å; R434-C438 PolarHBondContact O-N 3.38Å; R434-C438 PolarHBondContact O-SG 3.26Å |
| 435 | Y | 72.9 | Confident | 72.7 | Confident | 70 Ų | 70 | 71 Ų | 71 | 28% | 0.275 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.1 | -45.8 | 176.9 | 178 | -108.8 | 0 | 0 | 0 | 112.5 | F7 C431 M432 L433 K437 C438 L439 | F7-Y435 HydrophobicContact CB-CD2 4.21Å; F7-Y435 HydrophobicContact CB-CE2 4.25Å; F7-Y435 HydrophobicContact CD1-CD1 4.25Å; F7-Y435 AromaticContact CD1-CD2 3.32Å; F7-Y435 HydrophobicContact CD1-CD2 3.32Å; F7-Y435 AromaticContact CD1-CE2 3.94Å; F7-Y435 HydrophobicContact CD1-CE2 3.94Å; F7-Y435 AromaticContact CD1-CG 3.51Å; F7-Y435 HydrophobicContact CD1-CG 3.51Å; F7-Y435 HydrophobicContact CD2-CD2 4.22Å; F7-Y435 HydrophobicContact CE1-CD1 4.32Å; F7-Y435 AromaticContact CE1-CD2 3.79Å; F7-Y435 HydrophobicContact CE1-CD2 3.79Å; F7-Y435 AromaticContact CE1-CG 3.54Å; F7-Y435 HydrophobicContact CE1-CG 3.54Å; F7-Y435 AromaticContact CG-CD2 3.6Å; F7-Y435 HydrophobicContact CG-CD2 3.6Å; F7-Y435 HydrophobicContact CG-CE2 4.13Å; F7-Y435 HydrophobicContact CG-CG 4.23Å; F7-Y435 HydrophobicContact CZ-CD2 4.39Å; F7-Y435 HydrophobicContact CZ-CG 4.23Å; C431-Y435 PolarHBondContact O-N 3.31Å; M432-Y435 WeakPolarHBondContact O-CB 3.32Å; M432-Y435 PolarHBondContact O-N 3.49Å; M432-Y435 VanDerWaalsContact O-N 3.14Å; L433-Y435 VanDerWaalsContact C-N 3.34Å; Y435-K437 VanDerWaalsContact C-N 3.3Å; Y435-K437 PolarHBondContact O-N 2.79Å; Y435-C438 CarbonylContact O-C 3.6Å; Y435-C438 WeakPolarHBondContact O-CA 3.48Å; Y435-C438 WeakPolarHBondContact O-CB 3.43Å; Y435-C438 PolarHBondContact O-N 2.99Å; Y435-L439 HydrophobicContact CD1-CD1 3.9Å; Y435-L439 HydrophobicContact CD1-CG 4.28Å; Y435-L439 HydrophobicContact CE1-CD1 3.31Å; Y435-L439 HydrophobicContact CE1-CD2 4.45Å; Y435-L439 HydrophobicContact CE1-CG 3.91Å; Y435-L439 HydrophobicContact CE2-CD1 4.49Å; Y435-L439 HydrophobicContact CE2-CD2 4.22Å; Y435-L439 HydrophobicContact CE2-CG 4.27Å; Y435-L439 PolarHBondContact O-N 2.85Å |
| 436 | Q | 73.1 | Confident | 70.6 | Confident | 92 Ų | 92 | 69.3 Ų | 69.3 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -55.2 | -47.8 | 175.9 | -171.4 | 59.4 | 47.9 | 0 | 0 | 111 | M432 C438 L439 D440 | M432-Q436 PolarHBondContact O-N 3.09Å; Q436-C438 PolarHBondContact O-N 3.34Å; Q436-L439 WeakPolarHBondContact O-CB 3.34Å; Q436-L439 PolarHBondContact O-N 2.81Å; Q436-D440 PolarHBondContact NE2-OD1 2.81Å; Q436-D440 VanDerWaalsContact O-CG 3.24Å; Q436-D440 PolarHBondContact O-N 2.7Å |
| 437 | K | 73.8 | Confident | 68.3 | Low | 135 Ų | 135 | 74.2 Ų | 74.2 | 59% | 0.587 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -58.1 | -32.9 | 175.2 | -74.1 | 178.7 | 179.3 | -179.7 | 0 | 113.4 | L433 Y435 A441 | L433-K437 WeakPolarHBondContact O-CG 3.37Å; L433-K437 PolarHBondContact O-N 3.33Å; L433-K437 VanDerWaalsContact O-N 3.1Å; Y435-K437 VanDerWaalsContact C-N 3.3Å; Y435-K437 PolarHBondContact O-N 2.79Å; K437-A441 WeakPolarHBondContact O-CB 3.48Å; K437-A441 PolarHBondContact O-N 2.87Å; K437-A441 VanDerWaalsContact O-N 3.14Å |
| 438 | C | 70.7 | Confident | 65.4 | Low | 60 Ų | 60 | 77.7 Ų | 77.7 | 41% | 0.405 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -75.9 | -33.1 | 177 | -65.5 | 0 | 0 | 0 | 0 | 112.3 | R434 Y435 Q436 R442 | R434-C438 PolarHBondContact O-N 3.38Å; R434-C438 PolarHBondContact O-SG 3.26Å; Y435-C438 CarbonylContact O-C 3.6Å; Y435-C438 WeakPolarHBondContact O-CA 3.48Å; Y435-C438 WeakPolarHBondContact O-CB 3.43Å; Y435-C438 PolarHBondContact O-N 2.99Å; Q436-C438 PolarHBondContact O-N 3.34Å; C438-R442 PolarHBondContact O-N 3.09Å |
| 439 | L | 69.2 | Low | 63.1 | Low | 51 Ų | 51 | 79.5 Ų | 79.5 | 27% | 0.267 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -70.1 | -45.7 | 172.8 | -68.8 | -175.4 | 0 | 0 | 0 | 111.5 | Y435 Q436 A441 R442 S443 | Y435-L439 HydrophobicContact CD1-CD1 3.9Å; Y435-L439 HydrophobicContact CD1-CG 4.28Å; Y435-L439 HydrophobicContact CE1-CD1 3.31Å; Y435-L439 HydrophobicContact CE1-CD2 4.45Å; Y435-L439 HydrophobicContact CE1-CG 3.91Å; Y435-L439 HydrophobicContact CE2-CD1 4.49Å; Y435-L439 HydrophobicContact CE2-CD2 4.22Å; Y435-L439 HydrophobicContact CE2-CG 4.27Å; Y435-L439 PolarHBondContact O-N 2.85Å; Q436-L439 WeakPolarHBondContact O-CB 3.34Å; Q436-L439 PolarHBondContact O-N 2.81Å; L439-A441 VanDerWaalsContact C-N 3.33Å; L439-A441 PolarHBondContact O-N 3.42Å; L439-R442 CarbonylContact O-C 3.54Å; L439-R442 WeakPolarHBondContact O-CA 3.11Å; L439-R442 WeakPolarHBondContact O-CB 3.39Å; L439-R442 PolarHBondContact O-N 2.85Å; L439-S443 PolarHBondContact O-N 2.87Å |
| 440 | D | 66.7 | Low | 60.6 | Low | 72 Ų | 72 | 85.1 Ų | 85.1 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.4 | -39.4 | 179.3 | -63.2 | -22.8 | 0 | 0 | 0 | 111.8 | Q436 R442 S443 Q444 | Q436-D440 PolarHBondContact NE2-OD1 2.81Å; Q436-D440 VanDerWaalsContact O-CG 3.24Å; Q436-D440 PolarHBondContact O-N 2.7Å; D440-R442 PolarHBondContact O-N 3.13Å; D440-S443 WeakPolarHBondContact CA-OG 3.41Å; D440-S443 PolarHBondContact O-N 2.73Å; D440-S443 PolarHBondContact O-OG 3.15Å; D440-Q444 WeakPolarHBondContact O-CG 3.27Å; D440-Q444 PolarHBondContact O-N 3.2Å; D440-Q444 VanDerWaalsContact O-N 3.16Å |
| 441 | A | 59.7 | Low | 58.1 | Low | 57 Ų | 57 | 90.5 Ų | 90.5 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -31 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K437 L439 | K437-A441 WeakPolarHBondContact O-CB 3.48Å; K437-A441 PolarHBondContact O-N 2.87Å; K437-A441 VanDerWaalsContact O-N 3.14Å; L439-A441 VanDerWaalsContact C-N 3.33Å; L439-A441 PolarHBondContact O-N 3.42Å |
| 442 | R | 54.3 | Low | 55.7 | Low | 132 Ų | 132 | 94.7 Ų | 94.7 | 50% | 0.498 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -78.3 | -37.7 | 176.1 | -95.5 | 171.1 | 67.8 | -138.3 | 3.7 | 112.6 | C438 L439 D440 Q444 T445 S446 | C438-R442 PolarHBondContact O-N 3.09Å; L439-R442 CarbonylContact O-C 3.54Å; L439-R442 WeakPolarHBondContact O-CA 3.11Å; L439-R442 WeakPolarHBondContact O-CB 3.39Å; L439-R442 PolarHBondContact O-N 2.85Å; D440-R442 PolarHBondContact O-N 3.13Å; R442-Q444 VanDerWaalsContact C-N 3.28Å; R442-Q444 PolarHBondContact O-N 3.25Å; R442-T445 WeakPolarHBondContact CA-OG1 3.32Å; R442-T445 PolarHBondContact O-N 2.75Å; R442-T445 VanDerWaalsContact O-N 3.07Å; R442-T445 PolarHBondContact O-OG1 2.61Å; R442-S446 PolarHBondContact O-N 2.75Å; R442-S446 VanDerWaalsContact O-N 3.16Å; R442-S446 PolarHBondContact O-OG 3.21Å |
| 443 | S | 45.3 | Very low | 53.7 | Low | 58 Ų | 58 | 95.6 Ų | 95.6 | 41% | 0.406 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.7 | -36.7 | 177 | 66.4 | 0 | 0 | 0 | 0 | 111.4 | L439 D440 T445 S446 T447 | L439-S443 PolarHBondContact O-N 2.87Å; D440-S443 WeakPolarHBondContact CA-OG 3.41Å; D440-S443 PolarHBondContact O-N 2.73Å; D440-S443 PolarHBondContact O-OG 3.15Å; S443-T445 VanDerWaalsContact C-N 3.29Å; S443-T445 PolarHBondContact O-N 2.82Å; S443-S446 WeakPolarHBondContact CA-OG 3.42Å; S443-S446 PolarHBondContact O-N 2.96Å; S443-S446 PolarHBondContact O-OG 3.38Å; S443-T447 PolarHBondContact O-N 2.95Å; S443-T447 PolarHBondContact O-OG1 2.71Å; S443-T447 VanDerWaalsContact O-OG1 3.07Å |
| 444 | Q | 43.7 | Very low | 51.4 | Low | 146 Ų | 146 | 97 Ų | 97 | 68% | 0.682 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.2 | -27.7 | 172 | -70.2 | -171.2 | -1 | 0 | 0 | 113.8 | D440 R442 | D440-Q444 WeakPolarHBondContact O-CG 3.27Å; D440-Q444 PolarHBondContact O-N 3.2Å; D440-Q444 VanDerWaalsContact O-N 3.16Å; R442-Q444 VanDerWaalsContact C-N 3.28Å; R442-Q444 PolarHBondContact O-N 3.25Å |
| 445 | T | 42.1 | Very low | 49.4 | Very low | 98 Ų | 98 | 99 Ų | 99 | 60% | 0.601 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -81.6 | -17.7 | 173.8 | 52.4 | 0 | 0 | 0 | 0 | 114 | R442 S443 S448 | R442-T445 WeakPolarHBondContact CA-OG1 3.32Å; R442-T445 PolarHBondContact O-N 2.75Å; R442-T445 VanDerWaalsContact O-N 3.07Å; R442-T445 PolarHBondContact O-OG1 2.61Å; S443-T445 VanDerWaalsContact C-N 3.29Å; S443-T445 PolarHBondContact O-N 2.82Å; T445-S448 PolarHBondContact O-OG 2.89Å |
| 446 | S | 44.1 | Very low | 47.6 | Very low | 100 Ų | 100 | 104.3 Ų | 104.3 | 70% | 0.699 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -87.4 | -14.6 | 174.8 | 45 | 0 | 0 | 0 | 0 | 114.3 | R442 S443 | R442-S446 PolarHBondContact O-N 2.75Å; R442-S446 VanDerWaalsContact O-N 3.16Å; R442-S446 PolarHBondContact O-OG 3.21Å; S443-S446 WeakPolarHBondContact CA-OG 3.42Å; S443-S446 PolarHBondContact O-N 2.96Å; S443-S446 PolarHBondContact O-OG 3.38Å |
| 447 | T | 41.4 | Very low | 45.7 | Very low | 110 Ų | 110 | 106 Ų | 106 | 68% | 0.675 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -109.9 | 12.6 | 172.8 | 35.4 | 0 | 0 | 0 | 0 | 113.6 | S443 C449 | S443-T447 PolarHBondContact O-N 2.95Å; S443-T447 PolarHBondContact O-OG1 2.71Å; S443-T447 VanDerWaalsContact O-OG1 3.07Å; T447-C449 VanDerWaalsContact C-N 3.35Å; T447-C449 PolarHBondContact O-N 3.37Å |
| 448 | S | 34 | Very low | 43.9 | Very low | 74 Ų | 74 | 106.6 Ų | 106.6 | 52% | 0.517 | 66% | 0.656 | S | S | . | * | trans | -78.8 | 87.9 | 169 | 71.3 | 0 | 0 | 0 | 0 | 109.9 | T445 L450 | T445-S448 PolarHBondContact O-OG 2.89Å; S448-L450 PolarHBondContact O-N 3.02Å | ||
| 449 | C | 36.8 | Very low | 42.1 | Very low | 121 Ų | 121 | 107.5 Ų | 107.5 | 82% | 0.818 | 67% | 0.667 | S | S | * | * | trans | -53.3 | 107.8 | 153.7 | -45 | 0 | 0 | 0 | 0 | 106.7 | T447 | T447-C449 VanDerWaalsContact C-N 3.35Å; T447-C449 PolarHBondContact O-N 3.37Å | ||
| 450 | L | 32.7 | Very low | 40.7 | Very low | 152 Ų | 152 | 116.1 Ų | 116.1 | 80% | 0.796 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 135.4 | 167.8 | -65.2 | 172.7 | 0 | 0 | 0 | 107.9 | S448 A452 | S448-L450 PolarHBondContact O-N 3.02Å; L450-A452 PolarHBondContact O-N 3.29Å |
| 451 | P | 34 | Very low | 39.3 | Very low | 121 Ų | 121 | 124.1 Ų | 124.1 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 128.1 | 165.8 | -15.2 | 27.4 | 0 | 0 | 0 | 107.7 | ||
| 452 | A | 35.4 | Very low | 38.2 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 135.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | L450 | L450-A452 PolarHBondContact O-N 3.29Š|
| 453 | P | 38.3 | Very low | 37.1 | Very low | 113 Ų | 113 | 125.5 Ų | 125.5 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 143 | 173.1 | 26.7 | -31.7 | 0 | 0 | 0 | 108.8 | A455 | P453-A455 PolarHBondContact O-N 3.34Š|
| 454 | P | 33 | Very low | 36.4 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 128.7 | -178.7 | 23.3 | -30.6 | 0 | 0 | 0 | 109.9 | E456 | P454-E456 PolarHBondContact O-N 3.14Š|
| 455 | A | 35.3 | Very low | 35.9 | Very low | 100 Ų | 100 | 132.9 Ų | 132.9 | 83% | 0.826 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -71.1 | 96.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | P453 | P453-A455 PolarHBondContact O-N 3.34Š|
| 456 | E | 36.8 | Very low | 35.5 | Very low | 182 Ų | 182 | 133.8 Ų | 133.8 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | trans | -177.5 | 98.3 | 140.7 | -104.1 | -178.5 | -167.6 | 0 | 0 | 109.8 | P454 | P454-E456 PolarHBondContact O-N 3.14Š| ||
| 457 | S | 32.2 | Very low | 35.1 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | trans | -164.3 | 86.8 | 153.3 | -82.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 458 | V | 35.6 | Very low | 34.9 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 90% | 0.897 | 80% | 0.802 | S | S | * | * | trans | -71.5 | 132.9 | 173.1 | 176.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 459 | A | 32.8 | Very low | 34.6 | Very low | 79 Ų | 79 | 146.1 Ų | 146.1 | 65% | 0.653 | 82% | 0.818 | S | S | * | * | trans | 117.7 | 117.3 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 460 | R | 40 | Very low | 34.5 | Very low | 231 Ų | 231 | 146 Ų | 146 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | cis | -148.9 | 125.4 | 17 | -63.3 | 177 | 172.1 | 89.6 | -1.6 | 107.4 | ||||
| 461 | R | 37.8 | Very low | 34.3 | Very low | 240 Ų | 240 | 147.2 Ų | 147.2 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | 41.6 | 93.4 | 93.8 | -161.4 | -172.9 | -64.3 | -144.1 | 2.7 | 115.7 | |||||
| 462 | V | 36.6 | Very low | 34.3 | Very low | 151 Ų | 151 | 146.5 Ų | 146.5 | 92% | 0.915 | 81% | 0.813 | S | S | * | * | -151.7 | 108 | 116.9 | -172.1 | 0 | 0 | 0 | 0 | 104 | |||||
| 463 | G | 30.6 | Very low | 34.1 | Very low | 68 Ų | 68 | 149 Ų | 149 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | 112.2 | 68.3 | 52 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 464 | W | 30.8 | Very low | 33.9 | Very low | 225 Ų | 225 | 155.1 Ų | 155.1 | 85% | 0.852 | 82% | 0.821 | S | S | * | * | trans | -69.2 | 138.8 | 172.1 | -176.2 | -35.5 | 0 | 0 | 0 | 110.4 | ||||
| 465 | T | 33.8 | Very low | 33.7 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 82% | 0.822 | 82% | 0.819 | S | S | * | * | trans | -154.1 | 98.6 | 147.6 | 16.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 466 | V | 32.6 | Very low | 33.5 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 70% | 0.703 | 82% | 0.82 | S | S | * | * | 71.2 | 127.7 | 92.1 | 175.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 467 | R | 36.7 | Very low | 33.2 | Very low | 223 Ų | 223 | 151.7 Ų | 151.7 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | trans | -60.8 | 155.5 | 177.6 | -68.8 | 175.7 | 166.5 | -173.9 | -4.2 | 114.2 | ||||
| 468 | R | 37.3 | Very low | 33.2 | Very low | 238 Ų | 238 | 154.5 Ų | 154.5 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | 68.5 | 111.2 | 147.3 | -85.1 | -175.9 | 179.8 | -176.7 | -0.5 | 118.7 | ||||
| 469 | G | 27.3 | Very low | 33.6 | Very low | 83 Ų | 83 | 152.9 Ų | 152.9 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -127.8 | 124.9 | 146.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 470 | V | 33.9 | Very low | 33.5 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | trans | -96.8 | 149.4 | 172.7 | 157.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 471 | Q | 30.3 | Very low | 33.3 | Very low | 177 Ų | 177 | 158.7 Ų | 158.7 | 83% | 0.827 | 81% | 0.814 | S | S | * | * | trans | 75.5 | 109.3 | 168.6 | -76 | 164.9 | 14.3 | 0 | 0 | 118 | ||||
| 472 | S | 32.3 | Very low | 33 | Very low | 105 Ų | 105 | 154.9 Ų | 154.9 | 73% | 0.734 | 81% | 0.811 | S | S | * | * | 163.4 | 138 | 88 | 52.2 | 0 | 0 | 0 | 0 | 114 | |||||
| 473 | L | 31.7 | Very low | 32.8 | Very low | 141 Ų | 141 | 151 Ų | 151 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | trans | 72.8 | 125.2 | 140.6 | -69.5 | 159 | 0 | 0 | 0 | 123.1 | ||||
| 474 | W | 34.1 | Very low | 32.9 | Very low | 242 Ų | 242 | 153.9 Ų | 153.9 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | trans | 78.4 | 130.7 | 152.9 | -62 | 0.8 | 0 | 0 | 0 | 116.1 | ||||
| 475 | G | 28.5 | Very low | 33.3 | Very low | 75 Ų | 75 | 151.2 Ų | 151.2 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | cis | 157.4 | 159.5 | 11.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 476 | S | 31.4 | Very low | 33.3 | Very low | 122 Ų | 122 | 150.2 Ų | 150.2 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 101 | 86.2 | 166.9 | -145.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 477 | L | 31.4 | Very low | 34.3 | Very low | 141 Ų | 141 | 154 Ų | 154 | 74% | 0.738 | 83% | 0.828 | S | S | * | * | trans | -2.2 | 124.5 | 132.3 | -66.5 | 155.9 | 0 | 0 | 0 | 120.5 | ||||
| 478 | K | 32.7 | Very low | 34.2 | Very low | 187 Ų | 187 | 150.6 Ų | 150.6 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | 69.3 | 163.8 | 129.4 | -75.7 | -173.4 | -177.7 | 177.6 | 0 | 120.3 | |||||
| 479 | P | 43 | Very low | 34 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 82% | 0.824 | S | S | * | * | cis | -140.3 | 167.7 | -17.3 | 29.3 | -6.4 | 0 | 0 | 0 | 117.7 | ||||
| 480 | K | 30.9 | Very low | 34.4 | Very low | 188 Ų | 188 | 149.4 Ų | 149.4 | 82% | 0.817 | 82% | 0.822 | S | S | * | * | trans | 23.6 | 135.2 | 144.2 | -86.3 | 178.8 | 168.7 | 178.8 | 0 | 122.5 | ||||
| 481 | R | 35 | Very low | 34.4 | Very low | 243 Ų | 243 | 151.2 Ų | 151.2 | 92% | 0.917 | 83% | 0.828 | S | S | * | * | -172.4 | 114.3 | 111.7 | -96.4 | 176.8 | -158 | -154.9 | 5.8 | 109.3 | |||||
| 482 | L | 32.8 | Very low | 34.7 | Very low | 161 Ų | 161 | 149.6 Ų | 149.6 | 84% | 0.843 | 83% | 0.828 | S | S | * | * | 55.8 | 103.9 | 95.7 | -113.4 | 103.2 | 0 | 0 | 0 | 116.7 | |||||
| 483 | G | 32.3 | Very low | 34.9 | Very low | 69 Ų | 69 | 152.6 Ų | 152.6 | 71% | 0.711 | 83% | 0.834 | S | S | * | * | 74.6 | 123.5 | 123.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 484 | S | 32.4 | Very low | 35.1 | Very low | 129 Ų | 129 | 153.4 Ų | 153.4 | 90% | 0.902 | 84% | 0.841 | S | S | * | * | 175.7 | 147.3 | 107.8 | 41.8 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 485 | Q | 39.3 | Very low | 35.2 | Very low | 168 Ų | 168 | 146.6 Ų | 146.6 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -81.9 | 158.3 | 179.8 | -82.3 | -169.3 | -11.5 | 0 | 0 | 112.8 | ||||
| 486 | T | 32.5 | Very low | 35.7 | Very low | 114 Ų | 114 | 152.6 Ų | 152.6 | 70% | 0.699 | 84% | 0.841 | S | S | * | * | trans | 75.6 | 154.1 | 142.3 | 48.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 487 | P | 55 | Low | 36.1 | Very low | 195 Ų | 195 | 155.4 Ų | 155.4 | 100% | 1.266 | 84% | 0.839 | S | S | * | * | -104.1 | 0 | 73.8 | 14.6 | -0.2 | 0 | 0 | 0 | 115.3 |
Retrieved 487 of 487 residues in 155 ms
(Link to these results)