| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36 | Very low | 34.5 | Very low | 245 Ų | 245 | 139.8 Ų | 139.8 | 100% | 1.207 | 79% | 0.79 | S | S | * | * | 0 | 97.1 | 0 | -66.3 | 171.7 | 178.7 | 0 | 0 | 105.3 | |||||
| 2 | G | 33.2 | Very low | 34.4 | Very low | 67 Ų | 67 | 138.2 Ų | 138.2 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | cis | 88.8 | 118.6 | 42.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | V | 29.2 | Very low | 34.6 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 95% | 0.945 | 76% | 0.755 | S | S | * | * | trans | 83.1 | 124.5 | 168.5 | -157.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 4 | G | 28 | Very low | 34.9 | Very low | 59 Ų | 59 | 139.9 Ų | 139.9 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | cis | 162.1 | 162.2 | 12.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 5 | D | 35.1 | Very low | 35.2 | Very low | 150 Ų | 150 | 139.3 Ų | 139.3 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | 66.2 | 97.8 | 162.2 | -59.2 | -22.8 | 0 | 0 | 0 | 118.6 | ||||
| 6 | R | 35.6 | Very low | 35.1 | Very low | 223 Ų | 223 | 140.6 Ų | 140.6 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | -149.9 | 66.6 | 128.5 | -102.8 | -173.9 | -90.5 | -155.5 | -2.8 | 109.8 | F8 | R6-F8 HydrophobicContact CG-CD2 3.89Å; R6-F8 HydrophobicContact CG-CE2 4.15Å; R6-F8 PolarHBondContact O-N 3.24Å | |||
| 7 | C | 36.1 | Very low | 35.5 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 89% | 0.892 | 75% | 0.749 | S | S | * | * | trans | -68.6 | 74.4 | 152.2 | -94 | 0 | 0 | 0 | 0 | 108.6 | S9 | C7-S9 VanDerWaalsContact C-N 3.33Å; C7-S9 PolarHBondContact O-N 3.28Å | ||
| 8 | F | 34.3 | Very low | 36.3 | Very low | 152 Ų | 152 | 137.7 Ų | 137.7 | 67% | 0.667 | 73% | 0.731 | S | S | * | * | trans | -86.3 | 89.1 | 157.9 | -90.4 | -85.5 | 0 | 0 | 0 | 108 | R6 V10 | R6-F8 HydrophobicContact CG-CD2 3.89Å; R6-F8 HydrophobicContact CG-CE2 4.15Å; R6-F8 PolarHBondContact O-N 3.24Å; F8-V10 PolarHBondContact O-N 3.16Å | ||
| 9 | S | 33 | Very low | 36.9 | Very low | 66 Ų | 66 | 138.3 Ų | 138.3 | 46% | 0.462 | 73% | 0.726 | S | S | . | * | trans | -5.9 | 116.3 | 156.6 | 179.5 | 0 | 0 | 0 | 0 | 115.9 | C7 M11 Q12 | C7-S9 VanDerWaalsContact C-N 3.33Å; C7-S9 PolarHBondContact O-N 3.28Å; S9-M11 PolarHBondContact O-N 2.98Å; S9-M11 WeakPolarHBondContact OG-CB 3.36Å; S9-M11 PolarHBondContact OG-N 3.08Å; S9-Q12 PolarHBondContact O-N 3.31Å; S9-Q12 VanDerWaalsContact O-N 3.15Å | ||
| 10 | V | 40.3 | Very low | 38 | Very low | 133 Ų | 133 | 134.5 Ų | 134.5 | 81% | 0.806 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.9 | -6.8 | 166.4 | 178.1 | 0 | 0 | 0 | 0 | 112.8 | F8 | F8-V10 PolarHBondContact O-N 3.16Š|
| 11 | M | 38.3 | Very low | 39.1 | Very low | 155 Ų | 155 | 132 Ų | 132 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.2 | -17.8 | 176.8 | -118.7 | 160.2 | -175 | 0 | 0 | 114.1 | S9 | S9-M11 PolarHBondContact O-N 2.98Å; S9-M11 WeakPolarHBondContact OG-CB 3.36Å; S9-M11 PolarHBondContact OG-N 3.08Å |
| 12 | Q | 34.2 | Very low | 40.5 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 56% | 0.561 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -86.2 | -16.8 | 176.4 | -85.8 | -174.4 | -21.7 | 0 | 0 | 114.3 | S9 K14 I15 | S9-Q12 PolarHBondContact O-N 3.31Å; S9-Q12 VanDerWaalsContact O-N 3.15Å; Q12-K14 VanDerWaalsContact C-N 3.31Å; Q12-K14 PolarHBondContact O-N 2.95Å; Q12-I15 PolarHBondContact O-N 3.41Å |
| 13 | I | 36.7 | Very low | 42.4 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 57% | 0.569 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -17.1 | 177.9 | -65.2 | 172.2 | 0 | 0 | 0 | 112 | I15 | I13-I15 VanDerWaalsContact C-N 3.29Å; I13-I15 PolarHBondContact O-N 3.18Å |
| 14 | K | 38.5 | Very low | 44.5 | Very low | 190 Ų | 190 | 122.5 Ų | 122.5 | 83% | 0.826 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -14 | 173.5 | -108.5 | 173.7 | 176.7 | 178.5 | 0 | 114 | Q12 | Q12-K14 VanDerWaalsContact C-N 3.31Å; Q12-K14 PolarHBondContact O-N 2.95Å |
| 15 | I | 39.3 | Very low | 46.7 | Very low | 130 Ų | 130 | 119.7 Ų | 119.7 | 67% | 0.667 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | -16.3 | -173.7 | -58.2 | 177 | 0 | 0 | 0 | 112.1 | Q12 I13 | Q12-I15 PolarHBondContact O-N 3.41Å; I13-I15 VanDerWaalsContact C-N 3.29Å; I13-I15 PolarHBondContact O-N 3.18Å |
| 16 | M | 34.2 | Very low | 48.8 | Very low | 161 Ų | 161 | 115 Ų | 115 | 79% | 0.793 | 57% | 0.57 | S | S | * | * | S | Bend | trans | -103 | 7 | -176.8 | -79.5 | -98.2 | -80.8 | 0 | 0 | 114.9 | ||
| 17 | R | 42.4 | Very low | 50.7 | Low | 169 Ų | 169 | 111.8 Ų | 111.8 | 64% | 0.638 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -105.2 | -9.5 | -178.3 | -85.5 | -172.6 | 176.9 | -179.9 | -1 | 115.8 | H21 | R17-H21 PolarHBondContact O-CD2 3.26Š|
| 18 | S | 48.2 | Very low | 52.6 | Low | 59 Ų | 59 | 106.4 Ų | 106.4 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -76.4 | -49.3 | -178.8 | 52 | 0 | 0 | 0 | 0 | 112.9 | H21 E22 | S18-H21 PolarHBondContact O-N 3.01Å; S18-E22 PolarHBondContact O-N 2.98Å |
| 19 | K | 49.4 | Very low | 54.7 | Low | 150 Ų | 150 | 101 Ų | 101 | 65% | 0.652 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.5 | -47.6 | -172 | -68.8 | -172 | 174.1 | -174.2 | 0 | 116.4 | H21 E22 E23 | K19-H21 VanDerWaalsContact C-N 3.25Å; K19-H21 PolarHBondContact O-N 3.08Å; K19-E22 PolarHBondContact O-N 3.46Å; K19-E23 PolarHBondContact O-N 3.41Å; K19-E23 VanDerWaalsContact O-N 3.17Å |
| 20 | P | 58.1 | Low | 57 | Low | 62 Ų | 62 | 105.5 Ų | 105.5 | 40% | 0.403 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.4 | -23 | -178.5 | 25.9 | -32.4 | 0 | 0 | 0 | 112.7 | V24 | P20-V24 WeakPolarHBondContact O-CB 3.28Å; P20-V24 WeakPolarHBondContact O-CG2 3.24Å; P20-V24 PolarHBondContact O-N 3.33Å |
| 21 | H | 61.8 | Low | 59 | Low | 81 Ų | 81 | 104.5 Ų | 104.5 | 38% | 0.375 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -80.1 | -27.8 | 175.7 | -65.8 | -43.8 | 0 | 0 | 0 | 112.5 | R17 S18 K19 G25 V44 | R17-H21 PolarHBondContact O-CD2 3.26Å; S18-H21 PolarHBondContact O-N 3.01Å; K19-H21 VanDerWaalsContact C-N 3.25Å; K19-H21 PolarHBondContact O-N 3.08Å; H21-G25 PolarHBondContact O-N 3.32Å; H21-V44 HydrophobicContact CB-CG2 3.52Å |
| 22 | E | 64.4 | Low | 60.8 | Low | 67 Ų | 67 | 98.9 Ų | 98.9 | 31% | 0.313 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.5 | -48.7 | 169.6 | -71.8 | 179.2 | 157.6 | 0 | 0 | 111.3 | S18 K19 V24 G25 D26 V44 | S18-E22 PolarHBondContact O-N 2.98Å; K19-E22 PolarHBondContact O-N 3.46Å; E22-V24 VanDerWaalsContact C-N 3.35Å; E22-V24 PolarHBondContact O-N 3.43Å; E22-G25 CarbonylContact O-C 3.57Å; E22-G25 WeakPolarHBondContact O-CA 3.22Å; E22-G25 PolarHBondContact O-N 3.45Å; E22-G25 VanDerWaalsContact O-N 3.1Å; E22-D26 VanDerWaalsContact O-CG 3.32Å; E22-D26 PolarHBondContact O-N 3.19Å; E22-V44 HydrophobicContact CG-CG1 3.46Å; E22-V44 VanDerWaalsContact CG-CG1 3.46Å |
| 23 | E | 73.7 | Confident | 63.1 | Low | 130 Ų | 130 | 97.7 Ų | 97.7 | 61% | 0.607 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -63.6 | -38.6 | 179.5 | -68.7 | 171.8 | -172 | 0 | 0 | 112.5 | K19 R27 | K19-E23 PolarHBondContact O-N 3.41Å; K19-E23 VanDerWaalsContact O-N 3.17Å; E23-R27 WeakPolarHBondContact O-CG 3.33Å; E23-R27 PolarHBondContact O-N 2.83Å |
| 24 | V | 72.4 | Confident | 65.1 | Low | 73 Ų | 73 | 95.5 Ų | 95.5 | 44% | 0.442 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | 173.7 | 174 | 0 | 0 | 0 | 0 | 110.8 | P20 E22 C28 L40 | P20-V24 WeakPolarHBondContact O-CB 3.28Å; P20-V24 WeakPolarHBondContact O-CG2 3.24Å; P20-V24 PolarHBondContact O-N 3.33Å; E22-V24 VanDerWaalsContact C-N 3.35Å; E22-V24 PolarHBondContact O-N 3.43Å; V24-C28 WeakPolarHBondContact O-CB 3.17Å; V24-C28 PolarHBondContact O-N 3.17Å; V24-C28 PolarHBondContact O-SG 2.9Å; V24-L40 HydrophobicContact CG1-CD1 4.02Å |
| 25 | G | 75.1 | Confident | 67 | Low | 0 Ų | 0 | 93.7 Ų | 93.7 | 0% | 0 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H21 E22 R27 C28 Y29 Y41 | H21-G25 PolarHBondContact O-N 3.32Å; E22-G25 CarbonylContact O-C 3.57Å; E22-G25 WeakPolarHBondContact O-CA 3.22Å; E22-G25 PolarHBondContact O-N 3.45Å; E22-G25 VanDerWaalsContact O-N 3.1Å; G25-R27 PolarHBondContact O-N 3.35Å; G25-C28 PolarHBondContact O-N 3.18Å; G25-Y29 WeakPolarHBondContact O-CB 3.42Å; G25-Y29 PolarHBondContact O-N 3.33Å; G25-Y41 PolarHBondContact O-OH 3.27Å |
| 26 | D | 78.1 | Confident | 68.7 | Low | 52 Ų | 52 | 89.5 Ų | 89.5 | 28% | 0.278 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 179.3 | -70.4 | -13.1 | 0 | 0 | 0 | 111.4 | E22 Y29 E30 Y41 | E22-D26 VanDerWaalsContact O-CG 3.32Å; E22-D26 PolarHBondContact O-N 3.19Å; D26-Y29 WeakPolarHBondContact O-CB 3.41Å; D26-Y29 PolarHBondContact O-N 3.18Å; D26-E30 WeakPolarHBondContact O-CG 3.35Å; D26-E30 PolarHBondContact O-N 3.38Å; D26-Y41 VanDerWaalsContact CA-OH 3.28Å; D26-Y41 WeakPolarHBondContact CA-OH 3.38Å; D26-Y41 PolarHBondContact N-OH 3.44Å; D26-Y41 PolarHBondContact OD1-OH 3.25Å |
| 27 | R | 77.3 | Confident | 70.7 | Confident | 155 Ų | 155 | 81.9 Ų | 81.9 | 59% | 0.585 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -65 | -43 | 172.6 | -74.5 | -172 | 62 | -172.5 | -6.3 | 113 | E23 G25 Y29 E30 E31 | E23-R27 WeakPolarHBondContact O-CG 3.33Å; E23-R27 PolarHBondContact O-N 2.83Å; G25-R27 PolarHBondContact O-N 3.35Å; R27-Y29 PolarHBondContact O-N 3.23Å; R27-E30 PolarHBondContact O-N 2.92Å; R27-E31 IonicContact NH2-OE1 3.53Å; R27-E31 PolarHBondContact NH2-OE1 3Å; R27-E31 WeakPolarHBondContact O-CB 3.36Å; R27-E31 WeakPolarHBondContact O-CG 3.25Å; R27-E31 PolarHBondContact O-N 3.28Å |
| 28 | C | 75.8 | Confident | 72.5 | Confident | 18 Ų | 18 | 76.7 Ų | 76.7 | 12% | 0.122 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.8 | -32.4 | 175.3 | -70.2 | 0 | 0 | 0 | 0 | 112.1 | V24 G25 G32 M33 A37 | V24-C28 WeakPolarHBondContact O-CB 3.17Å; V24-C28 PolarHBondContact O-N 3.17Å; V24-C28 PolarHBondContact O-SG 2.9Å; G25-C28 PolarHBondContact O-N 3.18Å; C28-G32 PolarHBondContact O-N 3.46Å; C28-M33 PolarHBondContact O-N 3.43Å; C28-A37 HydrophobicContact CB-CB 4.23Å |
| 29 | Y | 78.6 | Confident | 74 | Confident | 39 Ų | 39 | 79.3 Ų | 79.3 | 15% | 0.153 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -66.1 | -47.8 | 173.7 | -174 | -91.9 | 0 | 0 | 0 | 111.9 | G25 D26 R27 E31 G32 Y34 Y41 S52 T53 H56 | G25-Y29 WeakPolarHBondContact O-CB 3.42Å; G25-Y29 PolarHBondContact O-N 3.33Å; D26-Y29 WeakPolarHBondContact O-CB 3.41Å; D26-Y29 PolarHBondContact O-N 3.18Å; R27-Y29 PolarHBondContact O-N 3.23Å; Y29-E31 VanDerWaalsContact C-N 3.29Å; Y29-E31 PolarHBondContact O-N 3.29Å; Y29-G32 PolarHBondContact O-N 3.44Å; Y29-G32 VanDerWaalsContact O-N 3.16Å; Y29-Y34 HydrophobicContact CD2-CD1 4.17Å; Y29-Y34 HydrophobicContact CD2-CE1 4.04Å; Y29-Y34 HydrophobicContact CE2-CD1 4.21Å; Y29-Y34 AromaticContact CE2-CE1 3.91Å; Y29-Y34 HydrophobicContact CE2-CE1 3.91Å; Y29-Y41 HydrophobicContact CD2-CE2 4.49Å; Y29-S52 PolarHBondContact OH-OG 3.23Å; Y29-T53 HydrophobicContact CD2-CG2 3.39Å; Y29-T53 HydrophobicContact CE2-CG2 3.74Å; Y29-H56 AromaticContact CZ-CD2 3.91Å; Y29-H56 PolarHBondContact OH-CD2 2.92Å; Y29-H56 PolarHBondContact OH-NE2 3.17Å |
| 30 | E | 80.2 | Confident | 75.3 | Confident | 161 Ų | 161 | 74.2 Ų | 74.2 | 75% | 0.752 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.1 | -33.9 | 177.9 | -72.2 | 175 | -179.7 | 0 | 0 | 112.5 | D26 R27 G32 | D26-E30 WeakPolarHBondContact O-CG 3.35Å; D26-E30 PolarHBondContact O-N 3.38Å; R27-E30 PolarHBondContact O-N 2.92Å; E30-G32 VanDerWaalsContact C-N 3.27Å; E30-G32 PolarHBondContact O-N 3.27Å |
| 31 | E | 82 | Confident | 76.3 | Confident | 112 Ų | 112 | 71.3 Ų | 71.3 | 52% | 0.523 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 0.6 | 177 | -68.4 | 175.5 | -170.2 | 0 | 0 | 113.3 | R27 Y29 M33 | R27-E31 IonicContact NH2-OE1 3.53Å; R27-E31 PolarHBondContact NH2-OE1 3Å; R27-E31 WeakPolarHBondContact O-CB 3.36Å; R27-E31 WeakPolarHBondContact O-CG 3.25Å; R27-E31 PolarHBondContact O-N 3.28Å; Y29-E31 VanDerWaalsContact C-N 3.29Å; Y29-E31 PolarHBondContact O-N 3.29Å; E31-M33 VanDerWaalsContact C-N 3.33Å; E31-M33 HydrophobicContact CB-CE 4.45Å; E31-M33 PolarHBondContact O-N 2.9Å; E31-M33 WeakPolarHBondContact OE2-CE 3.46Å |
| 32 | G | 77.1 | Confident | 77.2 | Confident | 36 Ų | 36 | 70.2 Ų | 70.2 | 37% | 0.371 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 11 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | C28 Y29 E30 Y34 | C28-G32 PolarHBondContact O-N 3.46Å; Y29-G32 PolarHBondContact O-N 3.44Å; Y29-G32 VanDerWaalsContact O-N 3.16Å; E30-G32 VanDerWaalsContact C-N 3.27Å; E30-G32 PolarHBondContact O-N 3.27Å; G32-Y34 VanDerWaalsContact C-N 3.29Å; G32-Y34 VanDerWaalsContact O-CD2 3.25Å; G32-Y34 WeakPolarHBondContact O-CD2 3.37Å; G32-Y34 PolarHBondContact O-N 3.48Å |
| 33 | M | 82.9 | Confident | 77.9 | Confident | 95 Ų | 95 | 73.5 Ų | 73.5 | 47% | 0.468 | 37% | 0.374 | S | S | . | . | trans | -84.9 | 66.7 | 177.7 | -70.1 | -165.3 | -77.5 | 0 | 0 | 111.6 | C28 E31 E35 A36 A37 | C28-M33 PolarHBondContact O-N 3.43Å; E31-M33 VanDerWaalsContact C-N 3.33Å; E31-M33 HydrophobicContact CB-CE 4.45Å; E31-M33 PolarHBondContact O-N 2.9Å; E31-M33 WeakPolarHBondContact OE2-CE 3.46Å; M33-E35 PolarHBondContact O-N 3.36Å; M33-A36 HydrophobicContact CB-CB 4.44Å; M33-A36 PolarHBondContact O-N 3.25Å; M33-A37 PolarHBondContact O-N 3.33Å; M33-A37 VanDerWaalsContact O-N 3.07Å | ||
| 34 | Y | 78.5 | Confident | 78 | Confident | 65 Ų | 65 | 68.4 Ų | 68.4 | 26% | 0.255 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.5 | -31.5 | -170.8 | -57.8 | -66.1 | 0 | 0 | 0 | 114.6 | Y29 G32 A37 K38 T53 H56 | Y29-Y34 HydrophobicContact CD2-CD1 4.17Å; Y29-Y34 HydrophobicContact CD2-CE1 4.04Å; Y29-Y34 HydrophobicContact CE2-CD1 4.21Å; Y29-Y34 AromaticContact CE2-CE1 3.91Å; Y29-Y34 HydrophobicContact CE2-CE1 3.91Å; G32-Y34 VanDerWaalsContact C-N 3.29Å; G32-Y34 VanDerWaalsContact O-CD2 3.25Å; G32-Y34 WeakPolarHBondContact O-CD2 3.37Å; G32-Y34 PolarHBondContact O-N 3.48Å; Y34-A37 PolarHBondContact O-N 2.93Å; Y34-K38 WeakPolarHBondContact O-CB 3.24Å; Y34-K38 PolarHBondContact O-N 3.04Å; Y34-T53 HydrophobicContact CD1-CG2 4.38Å; Y34-H56 HydrophobicContact CD1-CB 3.83Å; Y34-H56 HydrophobicContact CD2-CB 3.92Å; Y34-H56 HydrophobicContact CE1-CB 3.78Å; Y34-H56 AromaticContact CE1-CD2 3.75Å; Y34-H56 AromaticContact CE1-CG 3.81Å; Y34-H56 HydrophobicContact CE2-CB 3.86Å; Y34-H56 HydrophobicContact CG-CB 3.91Å; Y34-H56 AromaticContact CZ-CG 3.77Å |
| 35 | E | 77.1 | Confident | 78.2 | Confident | 153 Ų | 153 | 68.6 Ų | 68.6 | 72% | 0.715 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -66.6 | -41.5 | 177.4 | -65.4 | -176.2 | 171.1 | 0 | 0 | 112.5 | M33 L39 L57 | M33-E35 PolarHBondContact O-N 3.36Å; E35-L39 PolarHBondContact O-N 2.85Å; E35-L57 HydrophobicContact CG-CD2 3.82Å |
| 36 | A | 75.9 | Confident | 78.4 | Confident | 42 Ų | 42 | 70.5 Ų | 70.5 | 35% | 0.347 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -69.1 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | M33 K38 L39 L40 | M33-A36 HydrophobicContact CB-CB 4.44Å; M33-A36 PolarHBondContact O-N 3.25Å; A36-K38 VanDerWaalsContact C-N 3.32Å; A36-K38 PolarHBondContact O-N 3.45Å; A36-L39 PolarHBondContact O-N 2.87Å; A36-L40 WeakPolarHBondContact O-CG 3.35Å; A36-L40 PolarHBondContact O-N 2.98Å; A36-L40 VanDerWaalsContact O-N 3.12Å |
| 37 | A | 76.2 | Confident | 78.4 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | C28 M33 Y34 L39 L40 Y41 T53 | C28-A37 HydrophobicContact CB-CB 4.23Å; M33-A37 PolarHBondContact O-N 3.33Å; M33-A37 VanDerWaalsContact O-N 3.07Å; Y34-A37 PolarHBondContact O-N 2.93Å; A37-L39 PolarHBondContact O-N 3.36Å; A37-L40 PolarHBondContact O-N 3.25Å; A37-Y41 HydrophobicContact CB-CD2 4.17Å; A37-Y41 HydrophobicContact CB-CE2 3.98Å; A37-Y41 WeakPolarHBondContact O-CB 3.44Å; A37-Y41 WeakPolarHBondContact O-CD2 3.3Å; A37-Y41 PolarHBondContact O-N 3.42Å; A37-T53 HydrophobicContact CB-CG2 3.64Å |
| 38 | K | 80 | Confident | 78.4 | Confident | 61 Ų | 61 | 65.2 Ų | 65.2 | 27% | 0.265 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -56.9 | -47.8 | 174.3 | 174.7 | -179 | 174.3 | 171.6 | 0 | 112.2 | Y34 A36 S42 L50 L54 L57 E59 | Y34-K38 WeakPolarHBondContact O-CB 3.24Å; Y34-K38 PolarHBondContact O-N 3.04Å; A36-K38 VanDerWaalsContact C-N 3.32Å; A36-K38 PolarHBondContact O-N 3.45Å; K38-S42 VanDerWaalsContact O-CB 3.28Å; K38-S42 WeakPolarHBondContact O-CB 3.19Å; K38-S42 PolarHBondContact O-N 3.17Å; K38-S42 PolarHBondContact O-OG 3.39Å; K38-L50 HydrophobicContact CB-CD1 4.42Å; K38-L50 HydrophobicContact CG-CD1 4.11Å; K38-L50 WeakPolarHBondContact O-CD1 3.33Å; K38-L54 HydrophobicContact CD-CD2 3.59Å; K38-L54 HydrophobicContact CG-CD2 3.98Å; K38-L57 HydrophobicContact CB-CD1 4.23Å; K38-L57 HydrophobicContact CD-CD1 4Å; K38-E59 IonicContact NZ-OE1 3.68Å; K38-E59 PolarHBondContact NZ-OE1 3.26Å; K38-E59 IonicContact NZ-OE2 3.37Å; K38-E59 PolarHBondContact NZ-OE2 3.45Å |
| 39 | L | 79.4 | Confident | 78.5 | Confident | 114 Ų | 114 | 68.5 Ų | 68.5 | 60% | 0.597 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -64.6 | -43.2 | 178.9 | -69 | 175 | 0 | 0 | 0 | 111.3 | E35 A36 A37 S42 N43 | E35-L39 PolarHBondContact O-N 2.85Å; A36-L39 PolarHBondContact O-N 2.87Å; A37-L39 PolarHBondContact O-N 3.36Å; L39-S42 PolarHBondContact O-OG 3.4Å; L39-N43 PolarHBondContact O-N 3.27Å; L39-N43 PolarHBondContact O-ND2 3.24Å |
| 40 | L | 77 | Confident | 78.5 | Confident | 43 Ų | 43 | 67 Ų | 67 | 23% | 0.225 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64 | -50.7 | 178.8 | -67.7 | 172.8 | 0 | 0 | 0 | 111.8 | V24 A36 A37 S42 N43 V44 | V24-L40 HydrophobicContact CG1-CD1 4.02Å; A36-L40 WeakPolarHBondContact O-CG 3.35Å; A36-L40 PolarHBondContact O-N 2.98Å; A36-L40 VanDerWaalsContact O-N 3.12Å; A37-L40 PolarHBondContact O-N 3.25Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-S42 PolarHBondContact O-N 3.32Å; L40-N43 PolarHBondContact O-N 3.14Å; L40-V44 WeakPolarHBondContact O-CB 3.49Å; L40-V44 VanDerWaalsContact O-CG2 3.26Å; L40-V44 WeakPolarHBondContact O-CG2 3.38Å; L40-V44 PolarHBondContact O-N 2.95Å |
| 41 | Y | 79.3 | Confident | 78.4 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.4 | -29.6 | -179.7 | -67 | -50.1 | 0 | 0 | 0 | 113.4 | G25 D26 Y29 A37 N43 V44 S45 N46 R49 T53 | G25-Y41 PolarHBondContact O-OH 3.27Å; D26-Y41 VanDerWaalsContact CA-OH 3.28Å; D26-Y41 WeakPolarHBondContact CA-OH 3.38Å; D26-Y41 PolarHBondContact N-OH 3.44Å; D26-Y41 PolarHBondContact OD1-OH 3.25Å; Y29-Y41 HydrophobicContact CD2-CE2 4.49Å; A37-Y41 HydrophobicContact CB-CD2 4.17Å; A37-Y41 HydrophobicContact CB-CE2 3.98Å; A37-Y41 WeakPolarHBondContact O-CB 3.44Å; A37-Y41 WeakPolarHBondContact O-CD2 3.3Å; A37-Y41 PolarHBondContact O-N 3.42Å; Y41-N43 VanDerWaalsContact C-N 3.34Å; Y41-V44 PolarHBondContact O-N 3.49Å; Y41-S45 PolarHBondContact O-N 2.98Å; Y41-N46 HydrophobicContact CD1-CB 4.26Å; Y41-N46 PolarHBondContact O-N 3.21Å; Y41-R49 HydrophobicContact CD1-CB 3.94Å; Y41-R49 HydrophobicContact CD2-CB 4Å; Y41-R49 HydrophobicContact CE1-CB 3.65Å; Y41-R49 HydrophobicContact CE1-CG 4.16Å; Y41-R49 HydrophobicContact CE2-CB 3.72Å; Y41-R49 HydrophobicContact CG-CB 4.11Å; Y41-T53 HydrophobicContact CD2-CG2 3.72Å; Y41-T53 HydrophobicContact CE2-CG2 3.65Å |
| 42 | S | 79.9 | Confident | 78.3 | Confident | 59 Ų | 59 | 54.5 Ų | 54.5 | 41% | 0.413 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -64.3 | -38.9 | 172.9 | 77.3 | 0 | 0 | 0 | 0 | 112.4 | K38 L39 L40 | K38-S42 VanDerWaalsContact O-CB 3.28Å; K38-S42 WeakPolarHBondContact O-CB 3.19Å; K38-S42 PolarHBondContact O-N 3.17Å; K38-S42 PolarHBondContact O-OG 3.39Å; L39-S42 PolarHBondContact O-OG 3.4Å; L40-S42 VanDerWaalsContact C-N 3.33Å; L40-S42 PolarHBondContact O-N 3.32Å |
| 43 | N | 78.6 | Confident | 78.4 | Confident | 136 Ų | 136 | 52.8 Ų | 52.8 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -75.5 | -30.7 | 178.9 | -72.4 | -36.4 | 0 | 0 | 0 | 112.5 | L39 L40 Y41 | L39-N43 PolarHBondContact O-N 3.27Å; L39-N43 PolarHBondContact O-ND2 3.24Å; L40-N43 PolarHBondContact O-N 3.14Å; Y41-N43 VanDerWaalsContact C-N 3.34Å |
| 44 | V | 77.6 | Confident | 78.3 | Confident | 23 Ų | 23 | 48.4 Ų | 48.4 | 14% | 0.139 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -84.9 | -10.2 | 179.8 | 175.5 | 0 | 0 | 0 | 0 | 112.2 | H21 E22 L40 Y41 N46 | H21-V44 HydrophobicContact CB-CG2 3.52Å; E22-V44 HydrophobicContact CG-CG1 3.46Å; E22-V44 VanDerWaalsContact CG-CG1 3.46Å; L40-V44 WeakPolarHBondContact O-CB 3.49Å; L40-V44 VanDerWaalsContact O-CG2 3.26Å; L40-V44 WeakPolarHBondContact O-CG2 3.38Å; L40-V44 PolarHBondContact O-N 2.95Å; Y41-V44 PolarHBondContact O-N 3.49Å; V44-N46 HydrophobicContact CG1-CB 4.31Å; V44-N46 PolarHBondContact O-N 3.37Å |
| 45 | S | 75.2 | Confident | 78.3 | Confident | 76 Ų | 76 | 45.9 Ų | 45.9 | 53% | 0.531 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | 21.7 | -176.1 | 66.6 | 0 | 0 | 0 | 0 | 114.9 | Y41 F47 | Y41-S45 PolarHBondContact O-N 2.98Å; S45-F47 VanDerWaalsContact C-N 3.33Å; S45-F47 WeakPolarHBondContact O-CD2 3.24Å; S45-F47 WeakPolarHBondContact O-CE2 3.44Å; S45-F47 PolarHBondContact O-N 3.29Å |
| 46 | N | 79.2 | Confident | 78.4 | Confident | 41 Ų | 41 | 43.4 Ų | 43.4 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | trans | -81.8 | 81.7 | 172.1 | -170.1 | -23.5 | 0 | 0 | 0 | 109.7 | Y41 V44 A48 R49 L50 | Y41-N46 HydrophobicContact CD1-CB 4.26Å; Y41-N46 PolarHBondContact O-N 3.21Å; V44-N46 HydrophobicContact CG1-CB 4.31Å; V44-N46 PolarHBondContact O-N 3.37Å; N46-A48 PolarHBondContact O-N 3.32Å; N46-A48 PolarHBondContact OD1-N 3.33Å; N46-R49 PolarHBondContact OD1-N 3.26Å; N46-L50 VanDerWaalsContact O-CB 3.29Å; N46-L50 WeakPolarHBondContact O-CB 3.39Å; N46-L50 PolarHBondContact O-N 2.86Å | ||
| 47 | F | 78.1 | Confident | 78.7 | Confident | 64 Ų | 64 | 44 Ų | 44 | 28% | 0.281 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.2 | -23.6 | -175.4 | -59.9 | -67 | 0 | 0 | 0 | 113.6 | S45 L50 A51 K69 A70 | S45-F47 VanDerWaalsContact C-N 3.33Å; S45-F47 WeakPolarHBondContact O-CD2 3.24Å; S45-F47 WeakPolarHBondContact O-CE2 3.44Å; S45-F47 PolarHBondContact O-N 3.29Å; F47-L50 HydrophobicContact CD1-CD2 4.25Å; F47-A51 WeakPolarHBondContact O-CB 3.48Å; F47-A51 PolarHBondContact O-N 3.45Å; F47-K69 HydrophobicContact CB-CB 4.41Å; F47-K69 HydrophobicContact CD1-CB 4.25Å; F47-K69 HydrophobicContact CD1-CD 4.17Å; F47-K69 HydrophobicContact CD2-CB 4.09Å; F47-K69 HydrophobicContact CE1-CD 4.01Å; F47-K69 HydrophobicContact CE2-CB 4.46Å; F47-K69 HydrophobicContact CG-CB 3.98Å; F47-K69 HydrophobicContact CZ-CD 4.38Å; F47-A70 HydrophobicContact CB-CB 3.86Å |
| 48 | A | 77.1 | Confident | 78.8 | Confident | 31 Ų | 31 | 45.9 Ų | 45.9 | 26% | 0.256 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67.7 | -54.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | N46 L50 A51 S52 T75 | N46-A48 PolarHBondContact O-N 3.32Å; N46-A48 PolarHBondContact OD1-N 3.33Å; A48-L50 VanDerWaalsContact C-N 3.34Å; A48-A51 PolarHBondContact O-N 3.29Å; A48-S52 PolarHBondContact O-N 2.99Å; A48-T75 VanDerWaalsContact CA-CG2 3.48Å; A48-T75 HydrophobicContact CB-CG2 3.29Å |
| 49 | R | 77.8 | Confident | 79 | Confident | 87 Ų | 87 | 46.8 Ų | 46.8 | 33% | 0.328 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -70.3 | -32.4 | 176.1 | -68.9 | -63.1 | -166.4 | -179.5 | 4.9 | 112.2 | Y41 N46 S52 T53 | Y41-R49 HydrophobicContact CD1-CB 3.94Å; Y41-R49 HydrophobicContact CD2-CB 4Å; Y41-R49 HydrophobicContact CE1-CB 3.65Å; Y41-R49 HydrophobicContact CE1-CG 4.16Å; Y41-R49 HydrophobicContact CE2-CB 3.72Å; Y41-R49 HydrophobicContact CG-CB 4.11Å; N46-R49 PolarHBondContact OD1-N 3.26Å; R49-S52 WeakPolarHBondContact O-CB 3.46Å; R49-S52 PolarHBondContact O-N 3.1Å; R49-T53 PolarHBondContact O-N 3.24Å; R49-T53 PolarHBondContact O-OG1 3.37Å |
| 50 | L | 79.6 | Confident | 79.1 | Confident | 8 Ų | 8 | 43.5 Ų | 43.5 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 173.2 | -175.5 | 63.5 | 0 | 0 | 0 | 111.9 | K38 N46 F47 A48 S52 T53 L54 | K38-L50 HydrophobicContact CB-CD1 4.42Å; K38-L50 HydrophobicContact CG-CD1 4.11Å; K38-L50 WeakPolarHBondContact O-CD1 3.33Å; N46-L50 VanDerWaalsContact O-CB 3.29Å; N46-L50 WeakPolarHBondContact O-CB 3.39Å; N46-L50 PolarHBondContact O-N 2.86Å; F47-L50 HydrophobicContact CD1-CD2 4.25Å; A48-L50 VanDerWaalsContact C-N 3.34Å; L50-S52 VanDerWaalsContact C-N 3.3Å; L50-S52 PolarHBondContact O-N 2.88Å; L50-T53 WeakPolarHBondContact CA-OG1 3.04Å; L50-T53 PolarHBondContact O-N 3.47Å; L50-T53 PolarHBondContact O-OG1 3.49Å; L50-L54 HydrophobicContact CD1-CD1 4.24Å; L50-L54 HydrophobicContact CD1-CG 4.37Å; L50-L54 HydrophobicContact CG-CD1 3.88Å; L50-L54 HydrophobicContact CG-CG 4.44Å; L50-L54 WeakPolarHBondContact O-CB 3.49Å; L50-L54 VanDerWaalsContact O-CG 3.24Å; L50-L54 WeakPolarHBondContact O-CG 3.27Å; L50-L54 PolarHBondContact O-N 2.99Å |
| 51 | A | 78.5 | Confident | 79.4 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F47 A48 T53 L54 V55 N66 V79 | F47-A51 WeakPolarHBondContact O-CB 3.48Å; F47-A51 PolarHBondContact O-N 3.45Å; A48-A51 PolarHBondContact O-N 3.29Å; A51-T53 PolarHBondContact O-N 3.07Å; A51-L54 PolarHBondContact O-N 3.36Å; A51-V55 VanDerWaalsContact O-CG2 3.25Å; A51-V55 WeakPolarHBondContact O-CG2 3.49Å; A51-V55 PolarHBondContact O-N 3.42Å; A51-N66 HydrophobicContact CB-CB 4.3Å; A51-V79 HydrophobicContact CB-CG2 3.85Å |
| 52 | S | 79.5 | Confident | 79.6 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.8 | -42.9 | 175.2 | -151.2 | 0 | 0 | 0 | 0 | 112.5 | Y29 A48 R49 L50 V55 H56 E78 | Y29-S52 PolarHBondContact OH-OG 3.23Å; A48-S52 PolarHBondContact O-N 2.99Å; R49-S52 WeakPolarHBondContact O-CB 3.46Å; R49-S52 PolarHBondContact O-N 3.1Å; L50-S52 VanDerWaalsContact C-N 3.3Å; L50-S52 PolarHBondContact O-N 2.88Å; S52-V55 WeakPolarHBondContact O-CB 3.31Å; S52-H56 PolarHBondContact O-CD2 3.15Å; S52-H56 PolarHBondContact O-N 3.49Å; S52-E78 PolarHBondContact OG-OE2 3.36Å |
| 53 | T | 79.3 | Confident | 79.7 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.3 | -41.3 | 173.9 | 49.1 | 0 | 0 | 0 | 0 | 113.8 | Y29 Y34 A37 Y41 R49 L50 A51 V55 H56 L57 | Y29-T53 HydrophobicContact CD2-CG2 3.39Å; Y29-T53 HydrophobicContact CE2-CG2 3.74Å; Y34-T53 HydrophobicContact CD1-CG2 4.38Å; A37-T53 HydrophobicContact CB-CG2 3.64Å; Y41-T53 HydrophobicContact CD2-CG2 3.72Å; Y41-T53 HydrophobicContact CE2-CG2 3.65Å; R49-T53 PolarHBondContact O-N 3.24Å; R49-T53 PolarHBondContact O-OG1 3.37Å; L50-T53 WeakPolarHBondContact CA-OG1 3.04Å; L50-T53 PolarHBondContact O-N 3.47Å; L50-T53 PolarHBondContact O-OG1 3.49Å; A51-T53 PolarHBondContact O-N 3.07Å; T53-V55 VanDerWaalsContact C-N 3.29Å; T53-V55 PolarHBondContact O-N 2.82Å; T53-H56 PolarHBondContact O-N 3.45Å; T53-L57 WeakPolarHBondContact O-CG 3.49Å; T53-L57 PolarHBondContact O-N 3.35Å |
| 54 | L | 79.9 | Confident | 80 | Confident | 4 Ų | 4 | 40.3 Ų | 40.3 | 2% | 0.021 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.9 | -33.1 | -176.5 | -73.4 | 168.2 | 0 | 0 | 0 | 111.9 | K38 L50 A51 L57 G58 E59 A62 A63 N66 | K38-L54 HydrophobicContact CD-CD2 3.59Å; K38-L54 HydrophobicContact CG-CD2 3.98Å; L50-L54 HydrophobicContact CD1-CD1 4.24Å; L50-L54 HydrophobicContact CD1-CG 4.37Å; L50-L54 HydrophobicContact CG-CD1 3.88Å; L50-L54 HydrophobicContact CG-CG 4.44Å; L50-L54 WeakPolarHBondContact O-CB 3.49Å; L50-L54 VanDerWaalsContact O-CG 3.24Å; L50-L54 WeakPolarHBondContact O-CG 3.27Å; L50-L54 PolarHBondContact O-N 2.99Å; A51-L54 PolarHBondContact O-N 3.36Å; L54-L57 PolarHBondContact O-N 2.78Å; L54-G58 PolarHBondContact O-N 2.64Å; L54-E59 HydrophobicContact CD2-CB 4.31Å; L54-E59 WeakPolarHBondContact CD2-OE2 3.33Å; L54-E59 PolarHBondContact O-N 2.94Å; L54-A62 HydrophobicContact CD1-CB 4.04Å; L54-A62 HydrophobicContact CD2-CB 4.39Å; L54-A63 HydrophobicContact CB-CB 3.97Å; L54-N66 WeakPolarHBondContact CD1-ND2 3.19Å |
| 55 | V | 80.1 | Confident | 80.3 | Confident | 11 Ų | 11 | 43.2 Ų | 43.2 | 7% | 0.067 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 170.7 | 159.9 | 0 | 0 | 0 | 0 | 111.4 | A51 S52 T53 L57 G58 A63 V79 A82 | A51-V55 VanDerWaalsContact O-CG2 3.25Å; A51-V55 WeakPolarHBondContact O-CG2 3.49Å; A51-V55 PolarHBondContact O-N 3.42Å; S52-V55 WeakPolarHBondContact O-CB 3.31Å; T53-V55 VanDerWaalsContact C-N 3.29Å; T53-V55 PolarHBondContact O-N 2.82Å; V55-L57 PolarHBondContact O-N 3.17Å; V55-G58 PolarHBondContact O-N 3.02Å; V55-A63 HydrophobicContact CG2-CB 3.74Å; V55-V79 HydrophobicContact CG2-CB 4.06Å; V55-V79 HydrophobicContact CG2-CG1 3.94Å; V55-V79 HydrophobicContact CG2-CG2 3.71Å; V55-A82 HydrophobicContact CB-CB 4.33Å; V55-A82 HydrophobicContact CG1-CB 2.98Å; V55-A82 HydrophobicContact CG2-CB 4.49Å |
| 56 | H | 78.4 | Confident | 80.6 | Confident | 101 Ų | 101 | 40.4 Ų | 40.4 | 47% | 0.468 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -67.1 | -22.3 | 177.8 | -74.8 | -65.1 | 0 | 0 | 0 | 113.3 | Y29 Y34 S52 T53 G58 | Y29-H56 AromaticContact CZ-CD2 3.91Å; Y29-H56 PolarHBondContact OH-CD2 2.92Å; Y29-H56 PolarHBondContact OH-NE2 3.17Å; Y34-H56 HydrophobicContact CD1-CB 3.83Å; Y34-H56 HydrophobicContact CD2-CB 3.92Å; Y34-H56 HydrophobicContact CE1-CB 3.78Å; Y34-H56 AromaticContact CE1-CD2 3.75Å; Y34-H56 AromaticContact CE1-CG 3.81Å; Y34-H56 HydrophobicContact CE2-CB 3.86Å; Y34-H56 HydrophobicContact CG-CB 3.91Å; Y34-H56 AromaticContact CZ-CG 3.77Å; S52-H56 PolarHBondContact O-CD2 3.15Å; S52-H56 PolarHBondContact O-N 3.49Å; T53-H56 PolarHBondContact O-N 3.45Å; H56-G58 VanDerWaalsContact C-N 3.34Å |
| 57 | L | 81.3 | Confident | 80.8 | Confident | 54 Ų | 54 | 38.5 Ų | 38.5 | 28% | 0.283 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.8 | 173.4 | -69.6 | 167.8 | 0 | 0 | 0 | 113.6 | E35 K38 T53 L54 V55 E59 | E35-L57 HydrophobicContact CG-CD2 3.82Å; K38-L57 HydrophobicContact CB-CD1 4.23Å; K38-L57 HydrophobicContact CD-CD1 4Å; T53-L57 WeakPolarHBondContact O-CG 3.49Å; T53-L57 PolarHBondContact O-N 3.35Å; L54-L57 PolarHBondContact O-N 2.78Å; V55-L57 PolarHBondContact O-N 3.17Å; L57-E59 PolarHBondContact O-N 3.45Å |
| 58 | G | 78.4 | Confident | 81.1 | Confident | 41 Ų | 41 | 42.1 Ų | 42.1 | 42% | 0.423 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.7 | 9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | L54 V55 H56 Y60 | L54-G58 PolarHBondContact O-N 2.64Å; V55-G58 PolarHBondContact O-N 3.02Å; H56-G58 VanDerWaalsContact C-N 3.34Å; G58-Y60 VanDerWaalsContact C-N 3.35Å; G58-Y60 WeakPolarHBondContact O-CD2 2.94Å; G58-Y60 PolarHBondContact O-N 3.45Å; G58-Y60 VanDerWaalsContact O-N 3.15Å |
| 59 | E | 84.9 | Confident | 81.3 | Confident | 80 Ų | 80 | 46.9 Ų | 46.9 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | trans | -88.5 | 67.4 | 178.6 | -68.9 | -174.7 | -165.2 | 0 | 0 | 111.4 | K38 L54 L57 Q61 A62 A63 | K38-E59 IonicContact NZ-OE1 3.68Å; K38-E59 PolarHBondContact NZ-OE1 3.26Å; K38-E59 IonicContact NZ-OE2 3.37Å; K38-E59 PolarHBondContact NZ-OE2 3.45Å; L54-E59 HydrophobicContact CD2-CB 4.31Å; L54-E59 WeakPolarHBondContact CD2-OE2 3.33Å; L54-E59 PolarHBondContact O-N 2.94Å; L57-E59 PolarHBondContact O-N 3.45Å; E59-Q61 PolarHBondContact O-N 2.89Å; E59-A62 HydrophobicContact CB-CB 4.4Å; E59-A62 PolarHBondContact O-N 3.22Å; E59-A63 PolarHBondContact O-N 3.37Å | ||
| 60 | Y | 81.1 | Confident | 81.4 | Confident | 45 Ų | 45 | 43.9 Ų | 43.9 | 18% | 0.176 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.7 | -35.5 | -171.6 | -60.1 | -69.5 | 0 | 0 | 0 | 114.6 | G58 A63 V64 C83 E88 | G58-Y60 VanDerWaalsContact C-N 3.35Å; G58-Y60 WeakPolarHBondContact O-CD2 2.94Å; G58-Y60 PolarHBondContact O-N 3.45Å; G58-Y60 VanDerWaalsContact O-N 3.15Å; Y60-A63 WeakPolarHBondContact O-CB 3.43Å; Y60-A63 PolarHBondContact O-N 2.84Å; Y60-V64 VanDerWaalsContact O-CG2 3.24Å; Y60-V64 WeakPolarHBondContact O-CG2 3.31Å; Y60-V64 PolarHBondContact O-N 2.65Å; Y60-C83 HydrophobicContact CD1-CB 4.46Å; Y60-C83 WeakPolarHBondContact CD1-SG 3.45Å; Y60-E88 HydrophobicContact CD2-CB 4.34Å; Y60-E88 HydrophobicContact CD2-CG 3.77Å; Y60-E88 HydrophobicContact CE2-CG 3.91Å |
| 61 | Q | 83.6 | Confident | 81.4 | Confident | 133 Ų | 133 | 48.3 Ų | 48.3 | 62% | 0.621 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -60.6 | -48.5 | 177 | -71.7 | 178.8 | 8.2 | 0 | 0 | 111.8 | E59 A63 V64 D65 F91 | E59-Q61 PolarHBondContact O-N 2.89Å; Q61-A63 VanDerWaalsContact C-N 3.29Å; Q61-A63 PolarHBondContact O-N 3.48Å; Q61-V64 PolarHBondContact O-N 3.11Å; Q61-D65 PolarHBondContact O-N 3.03Å; Q61-F91 HydrophobicContact CG-CE1 3.62Å; Q61-F91 HydrophobicContact CG-CE2 4.02Å; Q61-F91 HydrophobicContact CG-CZ 3.29Å |
| 62 | A | 83.3 | Confident | 81.7 | Confident | 30 Ų | 30 | 50.5 Ų | 50.5 | 25% | 0.248 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -33.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L54 E59 N66 | L54-A62 HydrophobicContact CD1-CB 4.04Å; L54-A62 HydrophobicContact CD2-CB 4.39Å; E59-A62 HydrophobicContact CB-CB 4.4Å; E59-A62 PolarHBondContact O-N 3.22Å; A62-N66 WeakPolarHBondContact O-CB 3.48Å; A62-N66 PolarHBondContact O-N 2.94Å; A62-N66 VanDerWaalsContact O-N 3.17Å; A62-N66 PolarHBondContact O-ND2 2.83Å |
| 63 | A | 82.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L54 V55 E59 Y60 Q61 D65 N66 S67 V79 | L54-A63 HydrophobicContact CB-CB 3.97Å; V55-A63 HydrophobicContact CG2-CB 3.74Å; E59-A63 PolarHBondContact O-N 3.37Å; Y60-A63 WeakPolarHBondContact O-CB 3.43Å; Y60-A63 PolarHBondContact O-N 2.84Å; Q61-A63 VanDerWaalsContact C-N 3.29Å; Q61-A63 PolarHBondContact O-N 3.48Å; A63-D65 PolarHBondContact O-N 2.82Å; A63-N66 PolarHBondContact O-N 2.83Å; A63-S67 PolarHBondContact O-N 2.9Å; A63-S67 PolarHBondContact O-OG 3.48Å; A63-S67 VanDerWaalsContact O-OG 3.06Å; A63-V79 HydrophobicContact CB-CG1 4.1Å |
| 64 | V | 83.8 | Confident | 82.2 | Confident | 7 Ų | 7 | 59.9 Ų | 59.9 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59.7 | -44.7 | 179 | 172.4 | 0 | 0 | 0 | 0 | 112.1 | Y60 Q61 N66 S67 R68 W76 V79 F91 L94 | Y60-V64 VanDerWaalsContact O-CG2 3.24Å; Y60-V64 WeakPolarHBondContact O-CG2 3.31Å; Y60-V64 PolarHBondContact O-N 2.65Å; Q61-V64 PolarHBondContact O-N 3.11Å; V64-N66 VanDerWaalsContact C-N 3.29Å; V64-N66 PolarHBondContact O-N 3.23Å; V64-S67 WeakPolarHBondContact O-CB 3.42Å; V64-S67 PolarHBondContact O-N 2.84Å; V64-R68 PolarHBondContact O-N 3.42Å; V64-W76 HydrophobicContact CG1-CH2 4.45Å; V64-W76 HydrophobicContact CG1-CZ3 4.22Å; V64-V79 HydrophobicContact CG2-CG1 4.44Å; V64-F91 HydrophobicContact CG2-CB 4.11Å; V64-F91 HydrophobicContact CG2-CD1 4.18Å; V64-F91 HydrophobicContact CG2-CG 4.46Å; V64-L94 HydrophobicContact CG1-CD2 3.63Å |
| 65 | D | 84.8 | Confident | 82.5 | Confident | 84 Ų | 84 | 60 Ų | 60 | 45% | 0.449 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.8 | -35.1 | 179.1 | -75.1 | -25.6 | 0 | 0 | 0 | 112.4 | Q61 A63 K69 | Q61-D65 PolarHBondContact O-N 3.03Å; A63-D65 PolarHBondContact O-N 2.82Å; D65-K69 WeakPolarHBondContact O-CG 3.28Å; D65-K69 PolarHBondContact O-N 3.26Å |
| 66 | N | 81.3 | Confident | 82.8 | Confident | 18 Ų | 18 | 60.2 Ų | 60.2 | 10% | 0.096 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -75.4 | -34.9 | 175.5 | -72.7 | -51.8 | 0 | 0 | 0 | 112 | A51 L54 A62 A63 V64 R68 K69 A70 | A51-N66 HydrophobicContact CB-CB 4.3Å; L54-N66 WeakPolarHBondContact CD1-ND2 3.19Å; A62-N66 WeakPolarHBondContact O-CB 3.48Å; A62-N66 PolarHBondContact O-N 2.94Å; A62-N66 VanDerWaalsContact O-N 3.17Å; A62-N66 PolarHBondContact O-ND2 2.83Å; A63-N66 PolarHBondContact O-N 2.83Å; V64-N66 VanDerWaalsContact C-N 3.29Å; V64-N66 PolarHBondContact O-N 3.23Å; N66-R68 VanDerWaalsContact C-N 3.27Å; N66-R68 PolarHBondContact O-N 2.91Å; N66-K69 WeakPolarHBondContact O-CB 3.49Å; N66-K69 PolarHBondContact O-N 3.41Å; N66-K69 VanDerWaalsContact O-N 3.09Å; N66-A70 PolarHBondContact O-N 3.09Å |
| 67 | S | 83.2 | Confident | 83.3 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.4 | -37.2 | 170.8 | -60.6 | 0 | 0 | 0 | 0 | 112 | A63 V64 K69 A70 S71 V79 | A63-S67 PolarHBondContact O-N 2.9Å; A63-S67 PolarHBondContact O-OG 3.48Å; A63-S67 VanDerWaalsContact O-OG 3.06Å; V64-S67 WeakPolarHBondContact O-CB 3.42Å; V64-S67 PolarHBondContact O-N 2.84Å; S67-K69 VanDerWaalsContact C-N 3.32Å; S67-K69 PolarHBondContact O-N 3.3Å; S67-A70 PolarHBondContact O-N 2.96Å; S67-S71 PolarHBondContact O-N 3.21Å; S67-V79 VanDerWaalsContact OG-CG2 3.25Å; S67-V79 WeakPolarHBondContact OG-CG2 3.47Å |
| 68 | R | 84 | Confident | 83.5 | Confident | 141 Ų | 141 | 56.7 Ų | 56.7 | 53% | 0.532 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 173 | -169.7 | -179 | -69.9 | 167.3 | 0.6 | 112.8 | V64 N66 W76 | V64-R68 PolarHBondContact O-N 3.42Å; N66-R68 VanDerWaalsContact C-N 3.27Å; N66-R68 PolarHBondContact O-N 2.91Å; R68-W76 VanDerWaalsContact CA-CZ2 3.47Å; R68-W76 HydrophobicContact CB-CH2 4.07Å; R68-W76 HydrophobicContact CB-CZ2 3.99Å |
| 69 | K | 82.6 | Confident | 83.8 | Confident | 130 Ų | 130 | 54.8 Ų | 54.8 | 57% | 0.565 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -74.1 | -33.7 | 176 | -65.6 | 171.5 | -171 | 167.6 | 0 | 112.5 | F47 D65 N66 S67 | F47-K69 HydrophobicContact CB-CB 4.41Å; F47-K69 HydrophobicContact CD1-CB 4.25Å; F47-K69 HydrophobicContact CD1-CD 4.17Å; F47-K69 HydrophobicContact CD2-CB 4.09Å; F47-K69 HydrophobicContact CE1-CD 4.01Å; F47-K69 HydrophobicContact CE2-CB 4.46Å; F47-K69 HydrophobicContact CG-CB 3.98Å; F47-K69 HydrophobicContact CZ-CD 4.38Å; D65-K69 WeakPolarHBondContact O-CG 3.28Å; D65-K69 PolarHBondContact O-N 3.26Å; N66-K69 WeakPolarHBondContact O-CB 3.49Å; N66-K69 PolarHBondContact O-N 3.41Å; N66-K69 VanDerWaalsContact O-N 3.09Å; S67-K69 VanDerWaalsContact C-N 3.32Å; S67-K69 PolarHBondContact O-N 3.3Å |
| 70 | A | 78.1 | Confident | 83.9 | Confident | 25 Ų | 25 | 51 Ų | 51 | 21% | 0.207 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.2 | -34.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | F47 N66 S67 S72 T75 | F47-A70 HydrophobicContact CB-CB 3.86Å; N66-A70 PolarHBondContact O-N 3.09Å; S67-A70 PolarHBondContact O-N 2.96Å; A70-S72 PolarHBondContact O-N 3.24Å; A70-S72 VanDerWaalsContact O-N 3.08Å; A70-T75 HydrophobicContact CB-CG2 4.45Å |
| 71 | S | 79.6 | Confident | 84.2 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 70% | 0.699 | 25% | 0.252 | S | S | * | . | trans | 54.7 | 23 | 179.4 | 67.1 | 0 | 0 | 0 | 0 | 115.1 | S67 | S67-S71 PolarHBondContact O-N 3.21Š| ||
| 72 | S | 85.5 | Confident | 84.3 | Confident | 47 Ų | 47 | 44.9 Ų | 44.9 | 33% | 0.329 | 23% | 0.23 | S | C | . | . | trans | -100.8 | 130.7 | -179.7 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | A70 R74 T75 W76 | A70-S72 PolarHBondContact O-N 3.24Å; A70-S72 VanDerWaalsContact O-N 3.08Å; S72-R74 VanDerWaalsContact C-N 3.3Å; S72-R74 PolarHBondContact O-N 3.26Å; S72-T75 WeakPolarHBondContact CB-OG1 3.47Å; S72-T75 PolarHBondContact O-N 3.08Å; S72-T75 VanDerWaalsContact O-N 3.14Å; S72-T75 PolarHBondContact O-OG1 3.06Å; S72-W76 PolarHBondContact O-N 3.4Å; S72-W76 VanDerWaalsContact O-N 3.11Å | ||
| 73 | T | 84.8 | Confident | 84.5 | Confident | 46 Ų | 46 | 43.5 Ų | 43.5 | 28% | 0.282 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -57 | -42.8 | 177.7 | 52.1 | 0 | 0 | 0 | 0 | 112.1 | T75 W76 K77 H102 | T73-T75 VanDerWaalsContact C-N 3.32Å; T73-T75 PolarHBondContact O-N 3.41Å; T73-W76 PolarHBondContact O-N 3.28Å; T73-K77 WeakPolarHBondContact O-CG 3.34Å; T73-K77 PolarHBondContact O-N 3.19Å; T73-H102 VanDerWaalsContact CG2-CD2 3.45Å; T73-H102 WeakPolarHBondContact CG2-CD2 2.94Å; T73-H102 VanDerWaalsContact CG2-NE2 3.34Å; T73-H102 WeakPolarHBondContact CG2-NE2 3.35Å |
| 74 | R | 85.2 | Confident | 84.5 | Confident | 161 Ų | 161 | 43.5 Ų | 43.5 | 61% | 0.608 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -58 | -43.7 | 176.3 | -177.9 | 178.6 | 173 | 163.7 | 5.3 | 112.3 | S72 K77 E78 | S72-R74 VanDerWaalsContact C-N 3.3Å; S72-R74 PolarHBondContact O-N 3.26Å; R74-K77 PolarHBondContact O-N 3.33Å; R74-E78 IonicContact CZ-OE1 3Å; R74-E78 IonicContact NE-OE1 3.43Å; R74-E78 PolarHBondContact NE-OE1 3.15Å; R74-E78 IonicContact NH2-OE1 3.84Å; R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 2.9Å |
| 75 | T | 85.4 | Confident | 84.6 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 4% | 0.043 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -67 | -38.9 | 179.4 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | A48 A70 S72 T73 K77 E78 V79 | A48-T75 VanDerWaalsContact CA-CG2 3.48Å; A48-T75 HydrophobicContact CB-CG2 3.29Å; A70-T75 HydrophobicContact CB-CG2 4.45Å; S72-T75 WeakPolarHBondContact CB-OG1 3.47Å; S72-T75 PolarHBondContact O-N 3.08Å; S72-T75 VanDerWaalsContact O-N 3.14Å; S72-T75 PolarHBondContact O-OG1 3.06Å; T73-T75 VanDerWaalsContact C-N 3.32Å; T73-T75 PolarHBondContact O-N 3.41Å; T75-K77 VanDerWaalsContact C-N 3.34Å; T75-K77 PolarHBondContact O-N 2.97Å; T75-E78 PolarHBondContact O-N 3.3Å; T75-V79 VanDerWaalsContact O-CG2 3.27Å; T75-V79 WeakPolarHBondContact O-CG2 3.46Å; T75-V79 PolarHBondContact O-N 3.21Å |
| 76 | W | 87.5 | Confident | 84.6 | Confident | 15 Ų | 15 | 45.1 Ų | 45.1 | 6% | 0.057 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.9 | -41.7 | 173.5 | -74.3 | 116.1 | 0 | 0 | 0 | 111.9 | V64 R68 S72 T73 V79 C80 C95 H98 I99 | V64-W76 HydrophobicContact CG1-CH2 4.45Å; V64-W76 HydrophobicContact CG1-CZ3 4.22Å; R68-W76 VanDerWaalsContact CA-CZ2 3.47Å; R68-W76 HydrophobicContact CB-CH2 4.07Å; R68-W76 HydrophobicContact CB-CZ2 3.99Å; S72-W76 PolarHBondContact O-N 3.4Å; S72-W76 VanDerWaalsContact O-N 3.11Å; T73-W76 PolarHBondContact O-N 3.28Å; W76-V79 PolarHBondContact O-N 3.09Å; W76-C80 WeakPolarHBondContact O-CB 3.35Å; W76-C80 PolarHBondContact O-N 3.16Å; W76-C95 HydrophobicContact CE3-CB 3.94Å; W76-C95 HydrophobicContact CZ3-CB 4.28Å; W76-H98 HydrophobicContact CD2-CB 4.06Å; W76-H98 HydrophobicContact CG-CB 4.24Å; W76-H98 AromaticContact CH2-CD2 3.59Å; W76-H98 HydrophobicContact CZ2-CB 4.39Å; W76-H98 AromaticContact CZ2-CD2 3.6Å; W76-I99 HydrophobicContact CB-CD1 4.15Å; W76-I99 HydrophobicContact CB-CG1 3.68Å |
| 77 | K | 87.6 | Confident | 84.7 | Confident | 22 Ų | 22 | 50.4 Ų | 50.4 | 10% | 0.096 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -51.2 | 176.4 | -72.6 | 176 | 64.6 | 179.6 | 0 | 112.3 | T73 R74 T75 V79 C80 F81 I99 E105 E108 | T73-K77 WeakPolarHBondContact O-CG 3.34Å; T73-K77 PolarHBondContact O-N 3.19Å; R74-K77 PolarHBondContact O-N 3.33Å; T75-K77 VanDerWaalsContact C-N 3.34Å; T75-K77 PolarHBondContact O-N 2.97Å; K77-V79 VanDerWaalsContact C-N 3.31Å; K77-V79 PolarHBondContact O-N 3.29Å; K77-C80 PolarHBondContact O-N 3.17Å; K77-C80 VanDerWaalsContact O-N 3.17Å; K77-F81 WeakPolarHBondContact O-CB 3.38Å; K77-F81 VanDerWaalsContact O-CG 3.26Å; K77-F81 WeakPolarHBondContact O-CG 3.26Å; K77-F81 PolarHBondContact O-N 3.29Å; K77-I99 HydrophobicContact CB-CD1 4.43Å; K77-I99 HydrophobicContact CG-CD1 3.94Å; K77-I99 HydrophobicContact CG-CG1 4.23Å; K77-I99 HydrophobicContact CG-CG2 3.99Å; K77-E105 HydrophobicContact CD-CG 4.48Å; K77-E105 VanDerWaalsContact CD-OE2 3.29Å; K77-E105 WeakPolarHBondContact CD-OE2 3.49Å; K77-E105 WeakPolarHBondContact CE-OE2 3.37Å; K77-E105 IonicContact NZ-OE2 3.79Å; K77-E105 PolarHBondContact NZ-OE2 3.31Å; K77-E108 VanDerWaalsContact CE-OE1 3.26Å; K77-E108 WeakPolarHBondContact CE-OE1 3.49Å; K77-E108 IonicContact NZ-OE1 3.54Å; K77-E108 PolarHBondContact NZ-OE1 3.44Å; K77-E108 IonicContact NZ-OE2 2.87Å; K77-E108 PolarHBondContact NZ-OE2 3.1Å |
| 78 | E | 85.1 | Confident | 84.9 | Confident | 58 Ų | 58 | 54.4 Ų | 54.4 | 27% | 0.271 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57 | -45.7 | 179 | -71.2 | 175.7 | -163.7 | 0 | 0 | 111.2 | S52 R74 T75 A82 | S52-E78 PolarHBondContact OG-OE2 3.36Å; R74-E78 IonicContact CZ-OE1 3Å; R74-E78 IonicContact NE-OE1 3.43Å; R74-E78 PolarHBondContact NE-OE1 3.15Å; R74-E78 IonicContact NH2-OE1 3.84Å; R74-E78 WeakPolarHBondContact O-CG 3.49Å; R74-E78 PolarHBondContact O-N 2.9Å; T75-E78 PolarHBondContact O-N 3.3Å; E78-A82 WeakPolarHBondContact O-CB 3.39Å; E78-A82 PolarHBondContact O-N 2.99Å |
| 79 | V | 85.6 | Confident | 85 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.006 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.1 | -40.7 | 177 | 176.9 | 0 | 0 | 0 | 0 | 112 | A51 V55 A63 V64 S67 T75 W76 K77 A82 C83 | A51-V79 HydrophobicContact CB-CG2 3.85Å; V55-V79 HydrophobicContact CG2-CB 4.06Å; V55-V79 HydrophobicContact CG2-CG1 3.94Å; V55-V79 HydrophobicContact CG2-CG2 3.71Å; A63-V79 HydrophobicContact CB-CG1 4.1Å; V64-V79 HydrophobicContact CG2-CG1 4.44Å; S67-V79 VanDerWaalsContact OG-CG2 3.25Å; S67-V79 WeakPolarHBondContact OG-CG2 3.47Å; T75-V79 VanDerWaalsContact O-CG2 3.27Å; T75-V79 WeakPolarHBondContact O-CG2 3.46Å; T75-V79 PolarHBondContact O-N 3.21Å; W76-V79 PolarHBondContact O-N 3.09Å; K77-V79 VanDerWaalsContact C-N 3.31Å; K77-V79 PolarHBondContact O-N 3.29Å; V79-A82 PolarHBondContact O-N 3.33Å; V79-C83 WeakPolarHBondContact O-CB 3.43Å; V79-C83 PolarHBondContact O-N 3.2Å; V79-C83 PolarHBondContact O-SG 3.12Å |
| 80 | C | 87 | Confident | 85.1 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -45.3 | 179.2 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | W76 K77 C83 M84 A92 C95 I99 | W76-C80 WeakPolarHBondContact O-CB 3.35Å; W76-C80 PolarHBondContact O-N 3.16Å; K77-C80 PolarHBondContact O-N 3.17Å; K77-C80 VanDerWaalsContact O-N 3.17Å; C80-C83 PolarHBondContact O-N 3.03Å; C80-M84 WeakPolarHBondContact O-CG 3.46Å; C80-M84 PolarHBondContact O-N 2.97Å; C80-A92 PolarHBondContact SG-O 3.1Å; C80-C95 HydrophobicContact CB-CB 3.8Å; C80-I99 HydrophobicContact CB-CD1 3.58Å |
| 81 | F | 88.2 | Confident | 85.5 | Confident | 33 Ų | 33 | 54.4 Ų | 54.4 | 15% | 0.145 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.8 | -46 | 178.7 | -71.9 | -4.2 | 0 | 0 | 0 | 111.2 | K77 M84 D85 L109 Y112 | K77-F81 WeakPolarHBondContact O-CB 3.38Å; K77-F81 VanDerWaalsContact O-CG 3.26Å; K77-F81 WeakPolarHBondContact O-CG 3.26Å; K77-F81 PolarHBondContact O-N 3.29Å; F81-M84 HydrophobicContact CD1-CE 3.48Å; F81-M84 VanDerWaalsContact CD1-CE 3.48Å; F81-M84 HydrophobicContact CE1-CE 4.07Å; F81-M84 WeakPolarHBondContact O-CB 3.15Å; F81-M84 PolarHBondContact O-N 3.4Å; F81-M84 VanDerWaalsContact O-N 3.16Å; F81-D85 PolarHBondContact O-N 3.43Å; F81-L109 HydrophobicContact CD1-CD1 4.49Å; F81-L109 HydrophobicContact CE1-CD1 3.79Å; F81-Y112 HydrophobicContact CB-CE1 3.91Å; F81-Y112 HydrophobicContact CB-CE2 4.03Å; F81-Y112 WeakPolarHBondContact CB-OH 3.36Å; F81-Y112 AromaticContact CD1-CD1 3.63Å; F81-Y112 HydrophobicContact CD1-CD1 3.63Å; F81-Y112 HydrophobicContact CD1-CD2 4.1Å; F81-Y112 AromaticContact CD1-CE1 3.77Å; F81-Y112 HydrophobicContact CD1-CE1 3.77Å; F81-Y112 HydrophobicContact CD1-CE2 4.23Å; F81-Y112 AromaticContact CD1-CG 3.76Å; F81-Y112 HydrophobicContact CD1-CG 3.76Å; F81-Y112 HydrophobicContact CD2-CD2 4.05Å; F81-Y112 AromaticContact CD2-CE2 3.93Å; F81-Y112 HydrophobicContact CD2-CE2 3.93Å; F81-Y112 AromaticContact CE1-CD1 3.9Å; F81-Y112 HydrophobicContact CE1-CD1 3.9Å; F81-Y112 HydrophobicContact CE1-CD2 4.11Å; F81-Y112 HydrophobicContact CE1-CE1 4.48Å; F81-Y112 AromaticContact CE1-CG 3.66Å; F81-Y112 HydrophobicContact CE1-CG 3.66Å; F81-Y112 HydrophobicContact CE2-CD2 4.1Å; F81-Y112 HydrophobicContact CE2-CE2 4.43Å; F81-Y112 HydrophobicContact CE2-CG 4.45Å; F81-Y112 HydrophobicContact CG-CD1 4.16Å; F81-Y112 HydrophobicContact CG-CD2 4.04Å; F81-Y112 AromaticContact CG-CE1 3.93Å; F81-Y112 HydrophobicContact CG-CE1 3.93Å; F81-Y112 AromaticContact CG-CE2 3.81Å; F81-Y112 HydrophobicContact CG-CE2 3.81Å; F81-Y112 HydrophobicContact CG-CG 4.18Å; F81-Y112 AromaticContact CG-CZ 3.71Å; F81-Y112 HydrophobicContact CZ-CD2 4.12Å; F81-Y112 HydrophobicContact CZ-CG 4.03Å; F81-Y112 PolarHBondContact O-OH 3.05Å; F81-Y112 VanDerWaalsContact O-OH 3.09Å |
| 82 | A | 85.7 | Confident | 85.8 | Confident | 18 Ų | 18 | 49.6 Ų | 49.6 | 15% | 0.149 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.4 | -27.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | V55 E78 V79 M84 D85 G86 | V55-A82 HydrophobicContact CB-CB 4.33Å; V55-A82 HydrophobicContact CG1-CB 2.98Å; V55-A82 HydrophobicContact CG2-CB 4.49Å; E78-A82 WeakPolarHBondContact O-CB 3.39Å; E78-A82 PolarHBondContact O-N 2.99Å; V79-A82 PolarHBondContact O-N 3.33Å; A82-M84 VanDerWaalsContact C-N 3.27Å; A82-D85 WeakPolarHBondContact O-CB 3.21Å; A82-D85 PolarHBondContact O-N 3.35Å; A82-G86 PolarHBondContact O-N 3.38Å |
| 83 | C | 85.7 | Confident | 85.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.7 | -35.7 | 167.4 | -74.3 | 0 | 0 | 0 | 0 | 111.3 | Y60 V79 C80 G86 Q87 E88 A92 | Y60-C83 HydrophobicContact CD1-CB 4.46Å; Y60-C83 WeakPolarHBondContact CD1-SG 3.45Å; V79-C83 WeakPolarHBondContact O-CB 3.43Å; V79-C83 PolarHBondContact O-N 3.2Å; V79-C83 PolarHBondContact O-SG 3.12Å; C80-C83 PolarHBondContact O-N 3.03Å; C83-G86 PolarHBondContact O-N 3.4Å; C83-Q87 PolarHBondContact O-N 2.81Å; C83-E88 PolarHBondContact O-N 3.31Å; C83-A92 HydrophobicContact CB-CB 3.93Å |
| 84 | M | 84.8 | Confident | 85.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.2 | -40.1 | 173.5 | -72.8 | -171.9 | -87.3 | 0 | 0 | 112.4 | C80 F81 A82 G86 Q87 A92 L109 Y112 Y113 | C80-M84 WeakPolarHBondContact O-CG 3.46Å; C80-M84 PolarHBondContact O-N 2.97Å; F81-M84 HydrophobicContact CD1-CE 3.48Å; F81-M84 VanDerWaalsContact CD1-CE 3.48Å; F81-M84 HydrophobicContact CE1-CE 4.07Å; F81-M84 WeakPolarHBondContact O-CB 3.15Å; F81-M84 PolarHBondContact O-N 3.4Å; F81-M84 VanDerWaalsContact O-N 3.16Å; A82-M84 VanDerWaalsContact C-N 3.27Å; M84-G86 PolarHBondContact O-N 2.92Å; M84-Q87 PolarHBondContact O-N 2.71Å; M84-Q87 VanDerWaalsContact O-N 3.13Å; M84-A92 HydrophobicContact CG-CB 3.87Å; M84-L109 HydrophobicContact CE-CD1 4.41Å; M84-Y112 HydrophobicContact CB-CE1 4.15Å; M84-Y112 HydrophobicContact CE-CD1 3.27Å; M84-Y112 HydrophobicContact CE-CE1 3.47Å; M84-Y112 VanDerWaalsContact CE-CE1 3.47Å; M84-Y112 HydrophobicContact CE-CG 4.38Å; M84-Y112 HydrophobicContact SD-CD1 3.92Å; M84-Y112 HydrophobicContact SD-CE1 4.06Å; M84-Y113 HydrophobicContact CE-CD2 3.77Å; M84-Y113 HydrophobicContact CE-CE2 3.39Å; M84-Y113 HydrophobicContact CG-CE1 4.45Å; M84-Y113 HydrophobicContact SD-CD1 3.81Å; M84-Y113 HydrophobicContact SD-CD2 3.51Å; M84-Y113 VanDerWaalsContact SD-CD2 3.51Å; M84-Y113 HydrophobicContact SD-CE1 3.53Å; M84-Y113 VanDerWaalsContact SD-CE1 3.53Å; M84-Y113 HydrophobicContact SD-CE2 3.21Å; M84-Y113 WeakPolarHBondContact SD-CE2 3.41Å; M84-Y113 HydrophobicContact SD-CG 3.8Å |
| 85 | D | 86 | Confident | 86 | Confident | 95 Ų | 95 | 43.4 Ų | 43.4 | 51% | 0.508 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.1 | -42.3 | 169.7 | -82.7 | -50.2 | 0 | 0 | 0 | 112 | F81 A82 Q87 Y112 R116 | F81-D85 PolarHBondContact O-N 3.43Å; A82-D85 WeakPolarHBondContact O-CB 3.21Å; A82-D85 PolarHBondContact O-N 3.35Å; D85-Q87 VanDerWaalsContact C-N 3.26Å; D85-Q87 PolarHBondContact O-N 3.2Å; D85-Y112 PolarHBondContact OD2-OH 2.92Å; D85-Y112 VanDerWaalsContact OD2-OH 3.06Å; D85-R116 VanDerWaalsContact CA-NH1 3.3Å; D85-R116 VanDerWaalsContact CG-NH2 3.33Å; D85-R116 IonicContact OD1-CZ 2.62Å; D85-R116 IonicContact OD1-NH1 2.75Å; D85-R116 PolarHBondContact OD1-NH1 2.93Å; D85-R116 IonicContact OD1-NH2 3.85Å; D85-R116 PolarHBondContact OD1-NH2 3.38Å; D85-R116 IonicContact OD2-NH1 3.67Å; D85-R116 IonicContact OD2-NH2 2.64Å; D85-R116 PolarHBondContact OD2-NH2 3.22Å |
| 86 | G | 82.9 | Confident | 86 | Confident | 30 Ų | 30 | 43 Ų | 43 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 1.2 | 178 | 0 | 0 | 0 | 0 | 0 | 115.6 | A82 C83 M84 E88 | A82-G86 PolarHBondContact O-N 3.38Å; C83-G86 PolarHBondContact O-N 3.4Å; M84-G86 PolarHBondContact O-N 2.92Å; G86-E88 PolarHBondContact O-N 3.18Å |
| 87 | Q | 85.1 | Confident | 86.1 | Confident | 129 Ų | 129 | 44.2 Ų | 44.2 | 60% | 0.603 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 23.3 | -174.7 | -57.3 | -177.3 | -8.4 | 0 | 0 | 114.8 | C83 M84 D85 F89 | C83-Q87 PolarHBondContact O-N 2.81Å; M84-Q87 PolarHBondContact O-N 2.71Å; M84-Q87 VanDerWaalsContact O-N 3.13Å; D85-Q87 VanDerWaalsContact C-N 3.26Å; D85-Q87 PolarHBondContact O-N 3.2Å; Q87-F89 HydrophobicContact CB-CE2 4.19Å; Q87-F89 HydrophobicContact CB-CZ 4.21Å; Q87-F89 WeakPolarHBondContact O-CD2 3.34Å; Q87-F89 WeakPolarHBondContact O-CE2 3.46Å; Q87-F89 PolarHBondContact O-N 2.96Å |
| 88 | E | 86.4 | Confident | 86 | Confident | 84 Ų | 84 | 46.5 Ų | 46.5 | 39% | 0.393 | 22% | 0.224 | S | C | . | . | trans | -93.5 | 70.7 | 179 | -74.7 | -68.4 | 171.9 | 0 | 0 | 110.6 | Y60 C83 G86 R90 F91 A92 | Y60-E88 HydrophobicContact CD2-CB 4.34Å; Y60-E88 HydrophobicContact CD2-CG 3.77Å; Y60-E88 HydrophobicContact CE2-CG 3.91Å; C83-E88 PolarHBondContact O-N 3.31Å; G86-E88 PolarHBondContact O-N 3.18Å; E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.12Å; E88-F91 HydrophobicContact CB-CD2 4.24Å; E88-F91 PolarHBondContact O-N 3.39Å; E88-A92 PolarHBondContact O-N 2.99Å; E88-A92 VanDerWaalsContact O-N 3.12Å | ||
| 89 | F | 85.4 | Confident | 86.2 | Confident | 51 Ų | 51 | 43.8 Ų | 43.8 | 22% | 0.224 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.5 | -32.5 | -170.6 | -57.4 | -65.8 | 0 | 0 | 0 | 114 | Q87 F91 A92 Q93 Y118 E121 | Q87-F89 HydrophobicContact CB-CE2 4.19Å; Q87-F89 HydrophobicContact CB-CZ 4.21Å; Q87-F89 WeakPolarHBondContact O-CD2 3.34Å; Q87-F89 WeakPolarHBondContact O-CE2 3.46Å; Q87-F89 PolarHBondContact O-N 2.96Å; F89-F91 VanDerWaalsContact C-N 3.33Å; F89-F91 PolarHBondContact O-N 3.41Å; F89-A92 PolarHBondContact O-N 3.41Å; F89-Q93 WeakPolarHBondContact O-CB 3.45Å; F89-Q93 PolarHBondContact O-N 3.21Å; F89-Y118 AromaticContact CE1-CD1 3.79Å; F89-Y118 HydrophobicContact CE1-CD1 3.79Å; F89-Y118 HydrophobicContact CE1-CD2 4.17Å; F89-Y118 AromaticContact CE1-CE1 3.85Å; F89-Y118 HydrophobicContact CE1-CE1 3.85Å; F89-Y118 HydrophobicContact CE1-CE2 4.2Å; F89-Y118 AromaticContact CE1-CG 3.98Å; F89-Y118 HydrophobicContact CE1-CG 3.98Å; F89-Y118 AromaticContact CZ-CD1 3.88Å; F89-Y118 HydrophobicContact CZ-CD1 3.88Å; F89-Y118 AromaticContact CZ-CE1 3.59Å; F89-Y118 HydrophobicContact CZ-CE1 3.59Å; F89-Y118 AromaticContact CZ-CZ 3.97Å; F89-E121 HydrophobicContact CB-CG 4.24Å; F89-E121 HydrophobicContact CD1-CB 4.42Å; F89-E121 HydrophobicContact CD1-CG 3.77Å; F89-E121 HydrophobicContact CE1-CG 4.28Å; F89-E121 HydrophobicContact CG-CG 3.95Å |
| 90 | R | 86.1 | Confident | 86.3 | Confident | 204 Ų | 204 | 43.7 Ų | 43.7 | 77% | 0.77 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -61.9 | -40.7 | 179 | -174.6 | 179.9 | 177.4 | -175.9 | -0.3 | 112.4 | E88 L94 | E88-R90 VanDerWaalsContact C-N 3.3Å; E88-R90 PolarHBondContact O-N 3.12Å; R90-L94 PolarHBondContact O-N 3.43Å |
| 91 | F | 85.3 | Confident | 86.2 | Confident | 41 Ų | 41 | 45.3 Ų | 45.3 | 18% | 0.18 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -78.5 | -36.5 | 177.6 | -63.5 | -63.1 | 0 | 0 | 0 | 111.2 | Q61 V64 E88 F89 Q93 L94 C95 | Q61-F91 HydrophobicContact CG-CE1 3.62Å; Q61-F91 HydrophobicContact CG-CE2 4.02Å; Q61-F91 HydrophobicContact CG-CZ 3.29Å; V64-F91 HydrophobicContact CG2-CB 4.11Å; V64-F91 HydrophobicContact CG2-CD1 4.18Å; V64-F91 HydrophobicContact CG2-CG 4.46Å; E88-F91 HydrophobicContact CB-CD2 4.24Å; E88-F91 PolarHBondContact O-N 3.39Å; F89-F91 VanDerWaalsContact C-N 3.33Å; F89-F91 PolarHBondContact O-N 3.41Å; F91-Q93 VanDerWaalsContact C-N 3.3Å; F91-Q93 PolarHBondContact O-N 2.92Å; F91-L94 PolarHBondContact O-N 3.19Å; F91-C95 PolarHBondContact O-N 3.41Å; F91-C95 PolarHBondContact O-SG 3.12Å; F91-C95 VanDerWaalsContact O-SG 3.33Å |
| 92 | A | 86.9 | Confident | 86.2 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59 | -40.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | C80 C83 M84 E88 F89 C95 G96 | C80-A92 PolarHBondContact SG-O 3.1Å; C83-A92 HydrophobicContact CB-CB 3.93Å; M84-A92 HydrophobicContact CG-CB 3.87Å; E88-A92 PolarHBondContact O-N 2.99Å; E88-A92 VanDerWaalsContact O-N 3.12Å; F89-A92 PolarHBondContact O-N 3.41Å; A92-C95 PolarHBondContact O-N 2.96Å; A92-G96 PolarHBondContact O-N 2.85Å |
| 93 | Q | 86.4 | Confident | 86.1 | Confident | 57 Ų | 57 | 49 Ų | 49 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 177.1 | -166 | -177.6 | 10.7 | 0 | 0 | 111.4 | F89 F91 C95 G96 L97 L124 L125 | F89-Q93 WeakPolarHBondContact O-CB 3.45Å; F89-Q93 PolarHBondContact O-N 3.21Å; F91-Q93 VanDerWaalsContact C-N 3.3Å; F91-Q93 PolarHBondContact O-N 2.92Å; Q93-C95 PolarHBondContact O-N 3.04Å; Q93-G96 PolarHBondContact O-N 3.38Å; Q93-L97 WeakPolarHBondContact O-CG 3.31Å; Q93-L97 PolarHBondContact O-N 3.39Å; Q93-L124 PolarHBondContact NE2-O 3.04Å; Q93-L125 HydrophobicContact CG-CB 4.26Å; Q93-L125 HydrophobicContact CG-CD1 4.41Å; Q93-L125 HydrophobicContact CG-CG 4.3Å |
| 94 | L | 86.4 | Confident | 86.2 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 35% | 0.346 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 179.2 | -166.5 | 143.6 | 0 | 0 | 0 | 112.1 | V64 R90 F91 H98 | V64-L94 HydrophobicContact CG1-CD2 3.63Å; R90-L94 PolarHBondContact O-N 3.43Å; F91-L94 PolarHBondContact O-N 3.19Å; L94-H98 PolarHBondContact O-CD2 3.3Å |
| 95 | C | 85.6 | Confident | 86.4 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -46.1 | 173.1 | -70.5 | 0 | 0 | 0 | 0 | 111.6 | W76 C80 F91 A92 Q93 L97 H98 I99 | W76-C95 HydrophobicContact CE3-CB 3.94Å; W76-C95 HydrophobicContact CZ3-CB 4.28Å; C80-C95 HydrophobicContact CB-CB 3.8Å; F91-C95 PolarHBondContact O-N 3.41Å; F91-C95 PolarHBondContact O-SG 3.12Å; F91-C95 VanDerWaalsContact O-SG 3.33Å; A92-C95 PolarHBondContact O-N 2.96Å; Q93-C95 PolarHBondContact O-N 3.04Å; C95-L97 VanDerWaalsContact C-N 3.32Å; C95-L97 PolarHBondContact O-N 3.26Å; C95-H98 WeakPolarHBondContact O-CB 3.49Å; C95-H98 PolarHBondContact O-N 3.28Å; C95-H98 VanDerWaalsContact O-N 3.07Å; C95-I99 PolarHBondContact O-N 2.95Å |
| 96 | G | 87.1 | Confident | 86.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.7 | -31 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A92 Q93 H98 I99 V100 | A92-G96 PolarHBondContact O-N 2.85Å; Q93-G96 PolarHBondContact O-N 3.38Å; G96-H98 PolarHBondContact O-N 2.95Å; G96-I99 PolarHBondContact O-N 3.38Å; G96-V100 WeakPolarHBondContact O-CB 3.41Å; G96-V100 WeakPolarHBondContact O-CG2 3.5Å; G96-V100 PolarHBondContact O-N 2.9Å |
| 97 | L | 88.5 | Confident | 86.8 | Confident | 39 Ų | 39 | 60 Ų | 60 | 20% | 0.204 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.9 | -33.2 | 170.9 | -71.9 | 174 | 0 | 0 | 0 | 112.8 | Q93 C95 I101 A128 A129 L132 | Q93-L97 WeakPolarHBondContact O-CG 3.31Å; Q93-L97 PolarHBondContact O-N 3.39Å; C95-L97 VanDerWaalsContact C-N 3.32Å; C95-L97 PolarHBondContact O-N 3.26Å; L97-I101 WeakPolarHBondContact O-CD1 3.46Å; L97-I101 WeakPolarHBondContact O-CG1 3.11Å; L97-A128 HydrophobicContact CD2-CB 3.98Å; L97-A129 HydrophobicContact CD2-CB 3.73Å; L97-L132 HydrophobicContact CD2-CD1 4.22Å |
| 98 | H | 86.8 | Confident | 87 | Confident | 71 Ų | 71 | 58.6 Ų | 58.6 | 33% | 0.329 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -78 | -24.7 | 175.8 | -71.1 | -61.9 | 0 | 0 | 0 | 113.2 | W76 L94 C95 G96 | W76-H98 HydrophobicContact CD2-CB 4.06Å; W76-H98 HydrophobicContact CG-CB 4.24Å; W76-H98 AromaticContact CH2-CD2 3.59Å; W76-H98 HydrophobicContact CZ2-CB 4.39Å; W76-H98 AromaticContact CZ2-CD2 3.6Å; L94-H98 PolarHBondContact O-CD2 3.3Å; C95-H98 WeakPolarHBondContact O-CB 3.49Å; C95-H98 PolarHBondContact O-N 3.28Å; C95-H98 VanDerWaalsContact O-N 3.07Å; G96-H98 PolarHBondContact O-N 2.95Å |
| 99 | I | 87.5 | Confident | 87.1 | Confident | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -82.7 | -47.9 | 179.2 | -57.8 | 165.7 | 0 | 0 | 0 | 110.6 | W76 K77 C80 C95 G96 I101 H102 E105 L109 | W76-I99 HydrophobicContact CB-CD1 4.15Å; W76-I99 HydrophobicContact CB-CG1 3.68Å; K77-I99 HydrophobicContact CB-CD1 4.43Å; K77-I99 HydrophobicContact CG-CD1 3.94Å; K77-I99 HydrophobicContact CG-CG1 4.23Å; K77-I99 HydrophobicContact CG-CG2 3.99Å; C80-I99 HydrophobicContact CB-CD1 3.58Å; C95-I99 PolarHBondContact O-N 2.95Å; G96-I99 PolarHBondContact O-N 3.38Å; I99-I101 PolarHBondContact O-N 3.19Å; I99-H102 WeakPolarHBondContact O-CB 3.45Å; I99-H102 PolarHBondContact O-N 2.67Å; I99-E105 HydrophobicContact CG2-CB 3.95Å; I99-L109 HydrophobicContact CB-CD2 4.4Å; I99-L109 HydrophobicContact CD1-CD1 4.31Å; I99-L109 HydrophobicContact CG2-CD2 4.22Å |
| 100 | V | 87.6 | Confident | 87.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.4 | -173.9 | 167.8 | 0 | 0 | 0 | 0 | 113.5 | G96 H102 L106 L109 L125 L126 A129 H136 M139 | G96-V100 WeakPolarHBondContact O-CB 3.41Å; G96-V100 WeakPolarHBondContact O-CG2 3.5Å; G96-V100 PolarHBondContact O-N 2.9Å; V100-H102 PolarHBondContact O-N 3.18Å; V100-L106 HydrophobicContact CB-CD1 4.48Å; V100-L106 HydrophobicContact CG1-CD1 4.06Å; V100-L106 HydrophobicContact CG2-CD1 4.01Å; V100-L109 HydrophobicContact CG2-CD2 3.4Å; V100-L125 HydrophobicContact CB-CD2 4.38Å; V100-L125 HydrophobicContact CG2-CD2 3.47Å; V100-L125 VanDerWaalsContact CG2-CD2 3.47Å; V100-L126 HydrophobicContact CG1-CD2 3.99Å; V100-A129 HydrophobicContact CG1-CB 3.85Å; V100-H136 PolarHBondContact O-CE1 2.82Å; V100-M139 HydrophobicContact CG1-CE 3.52Å; V100-M139 HydrophobicContact CG1-CG 3.71Å; V100-M139 HydrophobicContact CG1-SD 3.75Å |
| 101 | I | 86.4 | Confident | 87.4 | Confident | 34 Ų | 34 | 45.6 Ų | 45.6 | 17% | 0.174 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.6 | -29.9 | 172.7 | -64.1 | 164.3 | 0 | 0 | 0 | 111.3 | L97 I99 L132 R134 H136 | L97-I101 WeakPolarHBondContact O-CD1 3.46Å; L97-I101 WeakPolarHBondContact O-CG1 3.11Å; I99-I101 PolarHBondContact O-N 3.19Å; I101-L132 HydrophobicContact CD1-CD1 4.16Å; I101-L132 HydrophobicContact CG1-CD1 4.01Å; I101-R134 HydrophobicContact CG2-CB 3.64Å; I101-R134 HydrophobicContact CG2-CG 4.48Å; I101-H136 PolarHBondContact O-ND1 2.74Å |
| 102 | H | 87.2 | Confident | 87.6 | Confident | 72 Ų | 72 | 45.8 Ų | 45.8 | 33% | 0.333 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -88.7 | 112.8 | 179.7 | -62.1 | -81.7 | 0 | 0 | 0 | 110.5 | T73 I99 V100 D104 E105 L106 | T73-H102 VanDerWaalsContact CG2-CD2 3.45Å; T73-H102 WeakPolarHBondContact CG2-CD2 2.94Å; T73-H102 VanDerWaalsContact CG2-NE2 3.34Å; T73-H102 WeakPolarHBondContact CG2-NE2 3.35Å; I99-H102 WeakPolarHBondContact O-CB 3.45Å; I99-H102 PolarHBondContact O-N 2.67Å; V100-H102 PolarHBondContact O-N 3.18Å; H102-D104 VanDerWaalsContact C-N 3.31Å; H102-D104 PolarHBondContact O-N 3.31Å; H102-E105 HydrophobicContact CB-CB 4.28Å; H102-E105 HydrophobicContact CB-CG 4.06Å; H102-E105 PolarHBondContact O-N 3.09Å; H102-L106 PolarHBondContact O-N 3.29Å |
| 103 | A | 84.5 | Confident | 87.7 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 46% | 0.455 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -38.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E105 L106 H136 | A103-E105 PolarHBondContact O-N 3.34Å; A103-L106 PolarHBondContact O-N 3.06Å; A103-H136 WeakPolarHBondContact CA-NE2 3.42Å |
| 104 | D | 87.6 | Confident | 87.8 | Confident | 155 Ų | 155 | 46.7 Ų | 46.7 | 83% | 0.829 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -65.8 | -23.5 | -177.9 | -54.8 | -30.7 | 0 | 0 | 0 | 112.9 | H102 | H102-D104 VanDerWaalsContact C-N 3.31Å; H102-D104 PolarHBondContact O-N 3.31Å |
| 105 | E | 87.6 | Confident | 88 | Confident | 44 Ų | 44 | 50.3 Ų | 50.3 | 21% | 0.206 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -97.7 | -9.8 | -174.9 | -59.4 | -69.7 | -173.1 | 0 | 0 | 112.8 | K77 I99 H102 A103 L109 | K77-E105 HydrophobicContact CD-CG 4.48Å; K77-E105 VanDerWaalsContact CD-OE2 3.29Å; K77-E105 WeakPolarHBondContact CD-OE2 3.49Å; K77-E105 WeakPolarHBondContact CE-OE2 3.37Å; K77-E105 IonicContact NZ-OE2 3.79Å; K77-E105 PolarHBondContact NZ-OE2 3.31Å; I99-E105 HydrophobicContact CG2-CB 3.95Å; H102-E105 HydrophobicContact CB-CB 4.28Å; H102-E105 HydrophobicContact CB-CG 4.06Å; H102-E105 PolarHBondContact O-N 3.09Å; A103-E105 PolarHBondContact O-N 3.34Å; E105-L109 WeakPolarHBondContact O-CB 3.48Å; E105-L109 PolarHBondContact O-N 2.9Å; E105-L109 VanDerWaalsContact O-N 3.16Å |
| 106 | L | 88.9 | Confident | 88.2 | Confident | 7 Ų | 7 | 54.4 Ų | 54.4 | 4% | 0.037 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.7 | -43.5 | -175.6 | -178.6 | 63.2 | 0 | 0 | 0 | 111.8 | V100 H102 A103 L109 M110 L126 M139 E142 | V100-L106 HydrophobicContact CB-CD1 4.48Å; V100-L106 HydrophobicContact CG1-CD1 4.06Å; V100-L106 HydrophobicContact CG2-CD1 4.01Å; H102-L106 PolarHBondContact O-N 3.29Å; A103-L106 PolarHBondContact O-N 3.06Å; L106-L109 PolarHBondContact O-N 3.44Å; L106-M110 HydrophobicContact CD1-CG 4.37Å; L106-M110 HydrophobicContact CD1-SD 4.34Å; L106-M110 HydrophobicContact CG-SD 4.15Å; L106-M110 WeakPolarHBondContact O-CB 3.46Å; L106-M110 VanDerWaalsContact O-CG 3.26Å; L106-M110 WeakPolarHBondContact O-CG 3.36Å; L106-M110 PolarHBondContact O-N 2.97Å; L106-L126 HydrophobicContact CD1-CD2 4.19Å; L106-M139 HydrophobicContact CD2-CG 4.33Å; L106-E142 HydrophobicContact CD2-CG 4.02Å |
| 107 | E | 88.5 | Confident | 88.2 | Confident | 152 Ų | 152 | 56.2 Ų | 56.2 | 71% | 0.71 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.5 | -45.7 | -177.6 | -174.7 | 170.5 | -166.9 | 0 | 0 | 111.6 | M110 C111 | E107-M110 PolarHBondContact O-N 3.07Å; E107-C111 PolarHBondContact O-N 2.84Å; E107-C111 PolarHBondContact O-SG 3.37Å; E107-C111 VanDerWaalsContact O-SG 3.37Å |
| 108 | E | 90.3 | Very high | 88.3 | Confident | 99 Ų | 99 | 57.1 Ų | 57.1 | 46% | 0.463 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 178.8 | -168.6 | -174.3 | 138.3 | 0 | 0 | 111.9 | K77 M110 C111 Y112 | K77-E108 VanDerWaalsContact CE-OE1 3.26Å; K77-E108 WeakPolarHBondContact CE-OE1 3.49Å; K77-E108 IonicContact NZ-OE1 3.54Å; K77-E108 PolarHBondContact NZ-OE1 3.44Å; K77-E108 IonicContact NZ-OE2 2.87Å; K77-E108 PolarHBondContact NZ-OE2 3.1Å; E108-M110 VanDerWaalsContact C-N 3.29Å; E108-M110 PolarHBondContact O-N 3.17Å; E108-C111 PolarHBondContact O-N 2.96Å; E108-Y112 PolarHBondContact O-N 3.49Å; E108-Y112 VanDerWaalsContact O-N 3.13Å |
| 109 | L | 89.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.005 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -45.1 | 175.2 | -176.3 | 68.6 | 0 | 0 | 0 | 110.6 | F81 M84 I99 V100 E105 L106 Y112 Y113 | F81-L109 HydrophobicContact CD1-CD1 4.49Å; F81-L109 HydrophobicContact CE1-CD1 3.79Å; M84-L109 HydrophobicContact CE-CD1 4.41Å; I99-L109 HydrophobicContact CB-CD2 4.4Å; I99-L109 HydrophobicContact CD1-CD1 4.31Å; I99-L109 HydrophobicContact CG2-CD2 4.22Å; V100-L109 HydrophobicContact CG2-CD2 3.4Å; E105-L109 WeakPolarHBondContact O-CB 3.48Å; E105-L109 PolarHBondContact O-N 2.9Å; E105-L109 VanDerWaalsContact O-N 3.16Å; L106-L109 PolarHBondContact O-N 3.44Å; L109-Y112 PolarHBondContact O-N 2.86Å; L109-Y113 HydrophobicContact CD1-CD2 4.04Å; L109-Y113 HydrophobicContact CD1-CE2 3.7Å; L109-Y113 HydrophobicContact CG-CD2 4.07Å; L109-Y113 HydrophobicContact CG-CE2 4.01Å; L109-Y113 WeakPolarHBondContact O-CD2 3.41Å; L109-Y113 PolarHBondContact O-N 3.09Å; L109-Y113 VanDerWaalsContact O-N 3.08Å |
| 110 | M | 88.1 | Confident | 88.5 | Confident | 6 Ų | 6 | 61 Ų | 61 | 3% | 0.03 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.3 | -46.3 | -179.9 | -75.6 | -176.9 | 64.4 | 0 | 0 | 113 | L106 E107 E108 Y112 Y113 Q114 L122 E142 | L106-M110 HydrophobicContact CD1-CG 4.37Å; L106-M110 HydrophobicContact CD1-SD 4.34Å; L106-M110 HydrophobicContact CG-SD 4.15Å; L106-M110 WeakPolarHBondContact O-CB 3.46Å; L106-M110 VanDerWaalsContact O-CG 3.26Å; L106-M110 WeakPolarHBondContact O-CG 3.36Å; L106-M110 PolarHBondContact O-N 2.97Å; E107-M110 PolarHBondContact O-N 3.07Å; E108-M110 VanDerWaalsContact C-N 3.29Å; E108-M110 PolarHBondContact O-N 3.17Å; M110-Y112 PolarHBondContact O-N 3.44Å; M110-Y113 PolarHBondContact O-N 3.27Å; M110-Y113 VanDerWaalsContact O-N 3.17Å; M110-Q114 WeakPolarHBondContact O-CB 3.29Å; M110-Q114 VanDerWaalsContact O-CG 3.24Å; M110-Q114 WeakPolarHBondContact O-CG 3.5Å; M110-Q114 PolarHBondContact O-N 2.88Å; M110-L122 HydrophobicContact CG-CD1 4.33Å; M110-L122 HydrophobicContact CG-CD2 4.29Å; M110-E142 HydrophobicContact CE-CB 3.69Å; M110-E142 HydrophobicContact CE-CG 3.97Å; M110-E142 VanDerWaalsContact CE-OE2 3.24Å; M110-E142 WeakPolarHBondContact CE-OE2 3.34Å; M110-E142 HydrophobicContact SD-CB 3.44Å; M110-E142 WeakPolarHBondContact SD-CB 3.43Å; M110-E142 HydrophobicContact SD-CG 3.39Å; M110-E142 WeakPolarHBondContact SD-CG 3.35Å |
| 111 | C | 89.4 | Confident | 88.5 | Confident | 58 Ų | 58 | 63.6 Ų | 63.6 | 39% | 0.392 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -54.5 | -44.1 | 175.8 | -70.7 | 0 | 0 | 0 | 0 | 110.7 | E107 E108 Y113 Q114 D115 | E107-C111 PolarHBondContact O-N 2.84Å; E107-C111 PolarHBondContact O-SG 3.37Å; E107-C111 VanDerWaalsContact O-SG 3.37Å; E108-C111 PolarHBondContact O-N 2.96Å; C111-Y113 PolarHBondContact O-N 3.31Å; C111-Q114 PolarHBondContact O-N 3.29Å; C111-D115 WeakPolarHBondContact O-CB 3.49Å; C111-D115 PolarHBondContact O-N 3.05Å |
| 112 | Y | 89.4 | Confident | 88.7 | Confident | 45 Ų | 45 | 62 Ų | 62 | 18% | 0.176 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 178.8 | -167.1 | -84.9 | 0 | 0 | 0 | 113.5 | F81 M84 D85 E108 L109 M110 R116 | F81-Y112 HydrophobicContact CB-CE1 3.91Å; F81-Y112 HydrophobicContact CB-CE2 4.03Å; F81-Y112 WeakPolarHBondContact CB-OH 3.36Å; F81-Y112 AromaticContact CD1-CD1 3.63Å; F81-Y112 HydrophobicContact CD1-CD1 3.63Å; F81-Y112 HydrophobicContact CD1-CD2 4.1Å; F81-Y112 AromaticContact CD1-CE1 3.77Å; F81-Y112 HydrophobicContact CD1-CE1 3.77Å; F81-Y112 HydrophobicContact CD1-CE2 4.23Å; F81-Y112 AromaticContact CD1-CG 3.76Å; F81-Y112 HydrophobicContact CD1-CG 3.76Å; F81-Y112 HydrophobicContact CD2-CD2 4.05Å; F81-Y112 AromaticContact CD2-CE2 3.93Å; F81-Y112 HydrophobicContact CD2-CE2 3.93Å; F81-Y112 AromaticContact CE1-CD1 3.9Å; F81-Y112 HydrophobicContact CE1-CD1 3.9Å; F81-Y112 HydrophobicContact CE1-CD2 4.11Å; F81-Y112 HydrophobicContact CE1-CE1 4.48Å; F81-Y112 AromaticContact CE1-CG 3.66Å; F81-Y112 HydrophobicContact CE1-CG 3.66Å; F81-Y112 HydrophobicContact CE2-CD2 4.1Å; F81-Y112 HydrophobicContact CE2-CE2 4.43Å; F81-Y112 HydrophobicContact CE2-CG 4.45Å; F81-Y112 HydrophobicContact CG-CD1 4.16Å; F81-Y112 HydrophobicContact CG-CD2 4.04Å; F81-Y112 AromaticContact CG-CE1 3.93Å; F81-Y112 HydrophobicContact CG-CE1 3.93Å; F81-Y112 AromaticContact CG-CE2 3.81Å; F81-Y112 HydrophobicContact CG-CE2 3.81Å; F81-Y112 HydrophobicContact CG-CG 4.18Å; F81-Y112 AromaticContact CG-CZ 3.71Å; F81-Y112 HydrophobicContact CZ-CD2 4.12Å; F81-Y112 HydrophobicContact CZ-CG 4.03Å; F81-Y112 PolarHBondContact O-OH 3.05Å; F81-Y112 VanDerWaalsContact O-OH 3.09Å; M84-Y112 HydrophobicContact CB-CE1 4.15Å; M84-Y112 HydrophobicContact CE-CD1 3.27Å; M84-Y112 HydrophobicContact CE-CE1 3.47Å; M84-Y112 VanDerWaalsContact CE-CE1 3.47Å; M84-Y112 HydrophobicContact CE-CG 4.38Å; M84-Y112 HydrophobicContact SD-CD1 3.92Å; M84-Y112 HydrophobicContact SD-CE1 4.06Å; D85-Y112 PolarHBondContact OD2-OH 2.92Å; D85-Y112 VanDerWaalsContact OD2-OH 3.06Å; E108-Y112 PolarHBondContact O-N 3.49Å; E108-Y112 VanDerWaalsContact O-N 3.13Å; L109-Y112 PolarHBondContact O-N 2.86Å; M110-Y112 PolarHBondContact O-N 3.44Å; Y112-R116 VanDerWaalsContact CE1-CZ 3.5Å; Y112-R116 VanDerWaalsContact CZ-NE 3.3Å; Y112-R116 VanDerWaalsContact CZ-NH2 3.34Å; Y112-R116 WeakPolarHBondContact O-CD 3.42Å; Y112-R116 WeakPolarHBondContact O-CG 3.26Å; Y112-R116 PolarHBondContact OH-NH2 2.91Å |
| 113 | Y | 89.3 | Confident | 89 | Confident | 3 Ų | 3 | 58.6 Ų | 58.6 | 1% | 0.012 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.7 | -38.7 | 174 | -90.7 | -96.6 | 0 | 0 | 0 | 112 | M84 L109 M110 C111 G117 Y118 E121 L122 L125 | M84-Y113 HydrophobicContact CE-CD2 3.77Å; M84-Y113 HydrophobicContact CE-CE2 3.39Å; M84-Y113 HydrophobicContact CG-CE1 4.45Å; M84-Y113 HydrophobicContact SD-CD1 3.81Å; M84-Y113 HydrophobicContact SD-CD2 3.51Å; M84-Y113 VanDerWaalsContact SD-CD2 3.51Å; M84-Y113 HydrophobicContact SD-CE1 3.53Å; M84-Y113 VanDerWaalsContact SD-CE1 3.53Å; M84-Y113 HydrophobicContact SD-CE2 3.21Å; M84-Y113 WeakPolarHBondContact SD-CE2 3.41Å; M84-Y113 HydrophobicContact SD-CG 3.8Å; L109-Y113 HydrophobicContact CD1-CD2 4.04Å; L109-Y113 HydrophobicContact CD1-CE2 3.7Å; L109-Y113 HydrophobicContact CG-CD2 4.07Å; L109-Y113 HydrophobicContact CG-CE2 4.01Å; L109-Y113 WeakPolarHBondContact O-CD2 3.41Å; L109-Y113 PolarHBondContact O-N 3.09Å; L109-Y113 VanDerWaalsContact O-N 3.08Å; M110-Y113 PolarHBondContact O-N 3.27Å; M110-Y113 VanDerWaalsContact O-N 3.17Å; C111-Y113 PolarHBondContact O-N 3.31Å; Y113-G117 PolarHBondContact O-N 3.42Å; Y113-Y118 PolarHBondContact O-N 3.15Å; Y113-Y118 VanDerWaalsContact O-N 3.08Å; Y113-E121 HydrophobicContact CE1-CB 4.25Å; Y113-L122 HydrophobicContact CD1-CB 3.78Å; Y113-L122 HydrophobicContact CD1-CD1 4.33Å; Y113-L122 HydrophobicContact CD2-CD1 4.15Å; Y113-L122 HydrophobicContact CE1-CB 4.44Å; Y113-L122 HydrophobicContact CG-CB 4.11Å; Y113-L122 HydrophobicContact CG-CD1 3.98Å; Y113-L122 HydrophobicContact CG-CG 4.44Å; Y113-L125 WeakPolarHBondContact OH-CD1 3.48Å |
| 114 | Q | 88.2 | Confident | 89.3 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 34% | 0.341 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -72.4 | -42.7 | -177.7 | -71.1 | 178.6 | 8.5 | 0 | 0 | 112.5 | M110 C111 R116 G117 F119 | M110-Q114 WeakPolarHBondContact O-CB 3.29Å; M110-Q114 VanDerWaalsContact O-CG 3.24Å; M110-Q114 WeakPolarHBondContact O-CG 3.5Å; M110-Q114 PolarHBondContact O-N 2.88Å; C111-Q114 PolarHBondContact O-N 3.29Å; Q114-R116 PolarHBondContact O-N 3.42Å; Q114-R116 VanDerWaalsContact O-N 3.12Å; Q114-G117 PolarHBondContact O-N 2.8Å; Q114-F119 HydrophobicContact CB-CE1 4.11Å; Q114-F119 HydrophobicContact CG-CD1 4.38Å; Q114-F119 HydrophobicContact CG-CE1 3.98Å |
| 115 | D | 91.1 | Very high | 89.4 | Confident | 143 Ų | 143 | 51.9 Ų | 51.9 | 77% | 0.765 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -59 | -26.9 | 178.7 | -72.6 | -19 | 0 | 0 | 0 | 112.2 | C111 | C111-D115 WeakPolarHBondContact O-CB 3.49Å; C111-D115 PolarHBondContact O-N 3.05Å |
| 116 | R | 88 | Confident | 89.5 | Confident | 85 Ų | 85 | 49.8 Ų | 49.8 | 32% | 0.321 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -9 | 179.1 | -64.6 | 174.3 | 173.5 | -121.9 | -12.9 | 114.2 | D85 Y112 Q114 Y118 | D85-R116 VanDerWaalsContact CA-NH1 3.3Å; D85-R116 VanDerWaalsContact CG-NH2 3.33Å; D85-R116 IonicContact OD1-CZ 2.62Å; D85-R116 IonicContact OD1-NH1 2.75Å; D85-R116 PolarHBondContact OD1-NH1 2.93Å; D85-R116 IonicContact OD1-NH2 3.85Å; D85-R116 PolarHBondContact OD1-NH2 3.38Å; D85-R116 IonicContact OD2-NH1 3.67Å; D85-R116 IonicContact OD2-NH2 2.64Å; D85-R116 PolarHBondContact OD2-NH2 3.22Å; Y112-R116 VanDerWaalsContact CE1-CZ 3.5Å; Y112-R116 VanDerWaalsContact CZ-NE 3.3Å; Y112-R116 VanDerWaalsContact CZ-NH2 3.34Å; Y112-R116 WeakPolarHBondContact O-CD 3.42Å; Y112-R116 WeakPolarHBondContact O-CG 3.26Å; Y112-R116 PolarHBondContact OH-NH2 2.91Å; Q114-R116 PolarHBondContact O-N 3.42Å; Q114-R116 VanDerWaalsContact O-N 3.12Å; R116-Y118 HydrophobicContact CB-CD2 3.52Å; R116-Y118 HydrophobicContact CB-CE2 3.65Å; R116-Y118 HydrophobicContact CB-CG 4.39Å; R116-Y118 HydrophobicContact CG-CE2 4.4Å |
| 117 | G | 88.2 | Confident | 89.6 | Confident | 38 Ų | 38 | 52 Ų | 52 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 16 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y113 Q114 F119 | Y113-G117 PolarHBondContact O-N 3.42Å; Q114-G117 PolarHBondContact O-N 2.8Å; G117-F119 VanDerWaalsContact C-N 3.25Å; G117-F119 VanDerWaalsContact O-CD2 3.27Å; G117-F119 WeakPolarHBondContact O-CD2 3.28Å; G117-F119 PolarHBondContact O-N 3.15Å |
| 118 | Y | 90.3 | Very high | 89.7 | Confident | 58 Ų | 58 | 46.9 Ų | 46.9 | 23% | 0.227 | 24% | 0.241 | C | C | . | . | trans | -84.9 | 59.8 | -179.9 | -61.9 | -52.8 | 0 | 0 | 0 | 112.2 | F89 Y113 R116 L122 | F89-Y118 AromaticContact CE1-CD1 3.79Å; F89-Y118 HydrophobicContact CE1-CD1 3.79Å; F89-Y118 HydrophobicContact CE1-CD2 4.17Å; F89-Y118 AromaticContact CE1-CE1 3.85Å; F89-Y118 HydrophobicContact CE1-CE1 3.85Å; F89-Y118 HydrophobicContact CE1-CE2 4.2Å; F89-Y118 AromaticContact CE1-CG 3.98Å; F89-Y118 HydrophobicContact CE1-CG 3.98Å; F89-Y118 AromaticContact CZ-CD1 3.88Å; F89-Y118 HydrophobicContact CZ-CD1 3.88Å; F89-Y118 AromaticContact CZ-CE1 3.59Å; F89-Y118 HydrophobicContact CZ-CE1 3.59Å; F89-Y118 AromaticContact CZ-CZ 3.97Å; Y113-Y118 PolarHBondContact O-N 3.15Å; Y113-Y118 VanDerWaalsContact O-N 3.08Å; R116-Y118 HydrophobicContact CB-CD2 3.52Å; R116-Y118 HydrophobicContact CB-CE2 3.65Å; R116-Y118 HydrophobicContact CB-CG 4.39Å; R116-Y118 HydrophobicContact CG-CE2 4.4Å; Y118-L122 PolarHBondContact O-N 3.22Å | ||
| 119 | F | 88.9 | Confident | 89.7 | Confident | 61 Ų | 61 | 42.2 Ų | 42.2 | 27% | 0.268 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -71.5 | -37.6 | -174.4 | -52.6 | -69.7 | 0 | 0 | 0 | 113.7 | Q114 G117 L122 I123 F150 | Q114-F119 HydrophobicContact CB-CE1 4.11Å; Q114-F119 HydrophobicContact CG-CD1 4.38Å; Q114-F119 HydrophobicContact CG-CE1 3.98Å; G117-F119 VanDerWaalsContact C-N 3.25Å; G117-F119 VanDerWaalsContact O-CD2 3.27Å; G117-F119 WeakPolarHBondContact O-CD2 3.28Å; G117-F119 PolarHBondContact O-N 3.15Å; F119-L122 PolarHBondContact O-N 3.04Å; F119-I123 VanDerWaalsContact O-CG1 3.27Å; F119-I123 WeakPolarHBondContact O-CG1 3.27Å; F119-I123 PolarHBondContact O-N 3.09Å; F119-F150 HydrophobicContact CB-CD1 4.39Å; F119-F150 HydrophobicContact CB-CD2 4.09Å; F119-F150 HydrophobicContact CB-CE1 4.17Å; F119-F150 HydrophobicContact CB-CE2 3.86Å; F119-F150 HydrophobicContact CB-CG 4.36Å; F119-F150 HydrophobicContact CB-CZ 3.91Å; F119-F150 HydrophobicContact CD1-CD2 4.5Å; F119-F150 HydrophobicContact CD1-CE1 4.26Å; F119-F150 AromaticContact CD1-CE2 3.49Å; F119-F150 HydrophobicContact CD1-CE2 3.49Å; F119-F150 VanDerWaalsContact CD1-CE2 3.49Å; F119-F150 AromaticContact CD1-CZ 3.35Å; F119-F150 HydrophobicContact CD1-CZ 3.35Å; F119-F150 AromaticContact CD2-CE1 3.68Å; F119-F150 HydrophobicContact CD2-CE1 3.68Å; F119-F150 HydrophobicContact CD2-CE2 4.37Å; F119-F150 AromaticContact CD2-CZ 3.58Å; F119-F150 HydrophobicContact CD2-CZ 3.58Å; F119-F150 HydrophobicContact CE1-CE2 4.11Å; F119-F150 AromaticContact CE1-CZ 3.65Å; F119-F150 HydrophobicContact CE1-CZ 3.65Å; F119-F150 HydrophobicContact CE2-CE1 4.09Å; F119-F150 AromaticContact CE2-CZ 3.87Å; F119-F150 HydrophobicContact CE2-CZ 3.87Å; F119-F150 HydrophobicContact CG-CD1 4.47Å; F119-F150 HydrophobicContact CG-CD2 4.36Å; F119-F150 AromaticContact CG-CE1 3.77Å; F119-F150 HydrophobicContact CG-CE1 3.77Å; F119-F150 AromaticContact CG-CE2 3.65Å; F119-F150 HydrophobicContact CG-CE2 3.65Å; F119-F150 AromaticContact CG-CZ 3.31Å; F119-F150 HydrophobicContact CG-CZ 3.31Å; F119-F150 AromaticContact CZ-CZ 3.9Å; F119-F150 HydrophobicContact CZ-CZ 3.9Å |
| 120 | E | 89.3 | Confident | 89.6 | Confident | 92 Ų | 92 | 43.6 Ų | 43.6 | 43% | 0.43 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -64.3 | -45.1 | -179.8 | -74.5 | -65.9 | 159 | 0 | 0 | 112.1 | L122 I123 L124 K151 | E120-L122 VanDerWaalsContact C-N 3.35Å; E120-L122 PolarHBondContact O-N 2.86Å; E120-I123 PolarHBondContact O-N 2.75Å; E120-L124 WeakPolarHBondContact O-CG 3.46Å; E120-L124 PolarHBondContact O-N 2.62Å; E120-K151 VanDerWaalsContact OE1-CE 3.25Å; E120-K151 WeakPolarHBondContact OE1-CE 3.5Å; E120-K151 IonicContact OE1-NZ 2.67Å; E120-K151 WeakPolarHBondContact OE2-CE 3.49Å; E120-K151 IonicContact OE2-NZ 2.74Å; E120-K151 PolarHBondContact OE2-NZ 3.12Å |
| 121 | E | 88.6 | Confident | 89.5 | Confident | 55 Ų | 55 | 46.7 Ų | 46.7 | 26% | 0.257 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.2 | -36.7 | 178.3 | -60.5 | -57.6 | 145.4 | 0 | 0 | 111.7 | F89 Y113 L124 L125 | F89-E121 HydrophobicContact CB-CG 4.24Å; F89-E121 HydrophobicContact CD1-CB 4.42Å; F89-E121 HydrophobicContact CD1-CG 3.77Å; F89-E121 HydrophobicContact CE1-CG 4.28Å; F89-E121 HydrophobicContact CG-CG 3.95Å; Y113-E121 HydrophobicContact CE1-CB 4.25Å; E121-L124 PolarHBondContact O-N 3.33Å; E121-L125 VanDerWaalsContact O-CB 3.25Å; E121-L125 WeakPolarHBondContact O-CB 3.37Å; E121-L125 PolarHBondContact O-N 3.35Å |
| 122 | L | 90.6 | Very high | 89.4 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -42.2 | 173.7 | -178.6 | 61.4 | 0 | 0 | 0 | 111.6 | M110 Y113 Y118 F119 E120 L125 L126 L146 | M110-L122 HydrophobicContact CG-CD1 4.33Å; M110-L122 HydrophobicContact CG-CD2 4.29Å; Y113-L122 HydrophobicContact CD1-CB 3.78Å; Y113-L122 HydrophobicContact CD1-CD1 4.33Å; Y113-L122 HydrophobicContact CD2-CD1 4.15Å; Y113-L122 HydrophobicContact CE1-CB 4.44Å; Y113-L122 HydrophobicContact CG-CB 4.11Å; Y113-L122 HydrophobicContact CG-CD1 3.98Å; Y113-L122 HydrophobicContact CG-CG 4.44Å; Y118-L122 PolarHBondContact O-N 3.22Å; F119-L122 PolarHBondContact O-N 3.04Å; E120-L122 VanDerWaalsContact C-N 3.35Å; E120-L122 PolarHBondContact O-N 2.86Å; L122-L125 PolarHBondContact O-N 3.37Å; L122-L126 HydrophobicContact CD1-CD1 4.48Å; L122-L126 HydrophobicContact CD1-CG 4.47Å; L122-L126 HydrophobicContact CG-CD1 4.43Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 3.34Å; L122-L146 HydrophobicContact CD2-CD1 3.61Å; L122-L146 HydrophobicContact CD2-CD2 4.16Å; L122-L146 HydrophobicContact CG-CD1 3.73Å |
| 123 | I | 91.9 | Very high | 89 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.7 | -47.6 | 176.4 | -69.9 | 165.1 | 0 | 0 | 0 | 110.3 | F119 E120 L125 L126 E127 L143 L146 Y147 F150 | F119-I123 VanDerWaalsContact O-CG1 3.27Å; F119-I123 WeakPolarHBondContact O-CG1 3.27Å; F119-I123 PolarHBondContact O-N 3.09Å; E120-I123 PolarHBondContact O-N 2.75Å; I123-L125 VanDerWaalsContact C-N 3.31Å; I123-L125 PolarHBondContact O-N 2.96Å; I123-L126 PolarHBondContact O-N 3.42Å; I123-E127 HydrophobicContact CG2-CG 4.3Å; I123-E127 WeakPolarHBondContact O-CB 3.12Å; I123-E127 WeakPolarHBondContact O-CG 3.41Å; I123-E127 PolarHBondContact O-N 2.94Å; I123-L143 HydrophobicContact CG2-CD1 4.24Å; I123-L146 HydrophobicContact CD1-CB 4.34Å; I123-L146 HydrophobicContact CG1-CB 3.93Å; I123-L146 HydrophobicContact CG1-CD1 4.11Å; I123-Y147 HydrophobicContact CG2-CD1 4.33Å; I123-Y147 HydrophobicContact CG2-CE1 3.62Å; I123-F150 HydrophobicContact CD1-CB 4.05Å; I123-F150 HydrophobicContact CD1-CD2 4.46Å |
| 124 | L | 91.2 | Very high | 88.8 | Confident | 68 Ų | 68 | 62.5 Ų | 62.5 | 36% | 0.356 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 178 | -71.9 | 172.7 | 0 | 0 | 0 | 112.6 | Q93 E120 E121 A128 | Q93-L124 PolarHBondContact NE2-O 3.04Å; E120-L124 WeakPolarHBondContact O-CG 3.46Å; E120-L124 PolarHBondContact O-N 2.62Å; E121-L124 PolarHBondContact O-N 3.33Å; L124-A128 WeakPolarHBondContact O-CB 3.12Å; L124-A128 PolarHBondContact O-N 3.47Å; L124-A128 VanDerWaalsContact O-N 3.08Å |
| 125 | L | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64 | -48.2 | 176 | -171.6 | 148.8 | 0 | 0 | 0 | 110.9 | Q93 V100 Y113 E121 L122 I123 A128 A129 | Q93-L125 HydrophobicContact CG-CB 4.26Å; Q93-L125 HydrophobicContact CG-CD1 4.41Å; Q93-L125 HydrophobicContact CG-CG 4.3Å; V100-L125 HydrophobicContact CB-CD2 4.38Å; V100-L125 HydrophobicContact CG2-CD2 3.47Å; V100-L125 VanDerWaalsContact CG2-CD2 3.47Å; Y113-L125 WeakPolarHBondContact OH-CD1 3.48Å; E121-L125 VanDerWaalsContact O-CB 3.25Å; E121-L125 WeakPolarHBondContact O-CB 3.37Å; E121-L125 PolarHBondContact O-N 3.35Å; L122-L125 PolarHBondContact O-N 3.37Å; I123-L125 VanDerWaalsContact C-N 3.31Å; I123-L125 PolarHBondContact O-N 2.96Å; L125-A128 PolarHBondContact O-N 3.25Å; L125-A129 VanDerWaalsContact O-CB 3.29Å; L125-A129 WeakPolarHBondContact O-CB 3.41Å; L125-A129 PolarHBondContact O-N 2.88Å |
| 126 | L | 90.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 177.2 | -72.2 | 176.7 | 0 | 0 | 0 | 111.1 | V100 L106 L122 I123 A128 A129 L130 L143 L146 | V100-L126 HydrophobicContact CG1-CD2 3.99Å; L106-L126 HydrophobicContact CD1-CD2 4.19Å; L122-L126 HydrophobicContact CD1-CD1 4.48Å; L122-L126 HydrophobicContact CD1-CG 4.47Å; L122-L126 HydrophobicContact CG-CD1 4.43Å; L122-L126 WeakPolarHBondContact O-CG 3.39Å; L122-L126 PolarHBondContact O-N 3.34Å; I123-L126 PolarHBondContact O-N 3.42Å; L126-A128 VanDerWaalsContact C-N 3.29Å; L126-A128 PolarHBondContact O-N 3.31Å; L126-A129 CarbonylContact O-C 3.57Å; L126-A129 WeakPolarHBondContact O-CA 3.35Å; L126-A129 WeakPolarHBondContact O-CB 3.4Å; L126-A129 PolarHBondContact O-N 3.42Å; L126-L130 VanDerWaalsContact C-CD1 3.44Å; L126-L130 WeakPolarHBondContact O-CD1 3.41Å; L126-L130 PolarHBondContact O-N 2.98Å; L126-L143 HydrophobicContact CB-CB 4.39Å; L126-L143 HydrophobicContact CB-CD1 4Å; L126-L143 HydrophobicContact CD1-CB 4.17Å; L126-L143 HydrophobicContact CD1-CD1 4.36Å; L126-L146 HydrophobicContact CD1-CD1 3.66Å |
| 127 | E | 90.4 | Very high | 88.9 | Confident | 55 Ų | 55 | 55.3 Ų | 55.3 | 26% | 0.257 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -49.8 | -47.1 | 175.5 | -80.2 | -178.3 | -178.6 | 0 | 0 | 111.8 | I123 Y147 K154 | I123-E127 HydrophobicContact CG2-CG 4.3Å; I123-E127 WeakPolarHBondContact O-CB 3.12Å; I123-E127 WeakPolarHBondContact O-CG 3.41Å; I123-E127 PolarHBondContact O-N 2.94Å; E127-Y147 VanDerWaalsContact CD-OH 3.26Å; E127-Y147 WeakPolarHBondContact CG-OH 3.34Å; E127-Y147 PolarHBondContact OE1-OH 3Å; E127-K154 IonicContact OE1-NZ 2.68Å; E127-K154 PolarHBondContact OE1-NZ 3.2Å; E127-K154 IonicContact OE2-NZ 2.83Å |
| 128 | A | 90.6 | Very high | 89 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -68.2 | -35.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L97 L124 L125 L126 L130 G131 | L97-A128 HydrophobicContact CD2-CB 3.98Å; L124-A128 WeakPolarHBondContact O-CB 3.12Å; L124-A128 PolarHBondContact O-N 3.47Å; L124-A128 VanDerWaalsContact O-N 3.08Å; L125-A128 PolarHBondContact O-N 3.25Å; L126-A128 VanDerWaalsContact C-N 3.29Å; L126-A128 PolarHBondContact O-N 3.31Å; A128-L130 VanDerWaalsContact C-N 3.35Å; A128-L130 PolarHBondContact O-N 3.08Å; A128-G131 PolarHBondContact O-N 3.36Å |
| 129 | A | 89.3 | Confident | 89.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.1 | -28.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113 | L97 V100 L125 L126 G131 L132 M139 | L97-A129 HydrophobicContact CD2-CB 3.73Å; V100-A129 HydrophobicContact CG1-CB 3.85Å; L125-A129 VanDerWaalsContact O-CB 3.29Å; L125-A129 WeakPolarHBondContact O-CB 3.41Å; L125-A129 PolarHBondContact O-N 2.88Å; L126-A129 CarbonylContact O-C 3.57Å; L126-A129 WeakPolarHBondContact O-CA 3.35Å; L126-A129 WeakPolarHBondContact O-CB 3.4Å; L126-A129 PolarHBondContact O-N 3.42Å; A129-G131 PolarHBondContact O-N 3.02Å; A129-L132 HydrophobicContact CB-CD1 4.37Å; A129-L132 WeakPolarHBondContact O-CB 3.3Å; A129-L132 WeakPolarHBondContact O-CG 3.46Å; A129-L132 PolarHBondContact O-N 3.47Å; A129-L132 VanDerWaalsContact O-N 3.1Å; A129-M139 HydrophobicContact CB-CE 3.23Å; A129-M139 VanDerWaalsContact O-CE 3.25Å; A129-M139 WeakPolarHBondContact O-CE 3.43Å |
| 130 | L | 87.8 | Confident | 89.2 | Confident | 30 Ų | 30 | 49 Ų | 49 | 16% | 0.157 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.5 | -27.6 | 174.5 | -71.2 | 98.6 | 0 | 0 | 0 | 112.9 | L126 A128 L132 F140 L143 F162 | L126-L130 VanDerWaalsContact C-CD1 3.44Å; L126-L130 WeakPolarHBondContact O-CD1 3.41Å; L126-L130 PolarHBondContact O-N 2.98Å; A128-L130 VanDerWaalsContact C-N 3.35Å; A128-L130 PolarHBondContact O-N 3.08Å; L130-L132 PolarHBondContact O-N 3.44Å; L130-F140 HydrophobicContact CD2-CD1 3.36Å; L130-F140 HydrophobicContact CD2-CE1 3.36Å; L130-F140 HydrophobicContact CD2-CG 4.31Å; L130-F140 HydrophobicContact CD2-CZ 4.25Å; L130-F140 HydrophobicContact CG-CD1 4.35Å; L130-F140 HydrophobicContact CG-CE1 4.16Å; L130-L143 HydrophobicContact CD1-CD2 3.27Å; L130-L143 HydrophobicContact CD2-CD2 4.17Å; L130-L143 HydrophobicContact CG-CD2 4.35Å; L130-F162 HydrophobicContact CD2-CD2 4.18Å; L130-F162 HydrophobicContact CD2-CE2 3.98Å; L130-F162 HydrophobicContact CD2-CZ 4.28Å |
| 131 | G | 86.9 | Confident | 89.4 | Confident | 71 Ų | 71 | 44.8 Ų | 44.8 | 73% | 0.732 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -7.1 | 178 | 0 | 0 | 0 | 0 | 0 | 114.5 | A128 A129 | A128-G131 PolarHBondContact O-N 3.36Å; A129-G131 PolarHBondContact O-N 3.02Å |
| 132 | L | 87.7 | Confident | 89.5 | Confident | 60 Ų | 60 | 43.6 Ų | 43.6 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -80.9 | 140 | -179.8 | -60.5 | 174.1 | 0 | 0 | 0 | 111.4 | L97 I101 A129 L130 R134 A135 | L97-L132 HydrophobicContact CD2-CD1 4.22Å; I101-L132 HydrophobicContact CD1-CD1 4.16Å; I101-L132 HydrophobicContact CG1-CD1 4.01Å; A129-L132 HydrophobicContact CB-CD1 4.37Å; A129-L132 WeakPolarHBondContact O-CB 3.3Å; A129-L132 WeakPolarHBondContact O-CG 3.46Å; A129-L132 PolarHBondContact O-N 3.47Å; A129-L132 VanDerWaalsContact O-N 3.1Å; L130-L132 PolarHBondContact O-N 3.44Å; L132-R134 PolarHBondContact O-N 3.15Å; L132-R134 VanDerWaalsContact O-N 3.08Å; L132-A135 WeakPolarHBondContact O-CB 3.45Å; L132-A135 PolarHBondContact O-N 3.49Å; L132-A135 VanDerWaalsContact O-N 3.11Å |
| 133 | E | 80.6 | Confident | 89.6 | Confident | 205 Ų | 205 | 43.6 Ų | 43.6 | 96% | 0.958 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -25.9 | 178.9 | -67 | -177.3 | 166.6 | 0 | 0 | 113.5 | ||
| 134 | R | 85.2 | Confident | 89.6 | Confident | 174 Ų | 174 | 43.6 Ų | 43.6 | 66% | 0.657 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.6 | 19.8 | -179.1 | -60.4 | -176.5 | 70.9 | -171.4 | 1.7 | 113.8 | I101 L132 | I101-R134 HydrophobicContact CG2-CB 3.64Å; I101-R134 HydrophobicContact CG2-CG 4.48Å; L132-R134 PolarHBondContact O-N 3.15Å; L132-R134 VanDerWaalsContact O-N 3.08Å |
| 135 | A | 89.1 | Confident | 89.7 | Confident | 10 Ų | 10 | 41.3 Ų | 41.3 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | trans | -63.4 | 135.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L132 M139 F140 R165 | L132-A135 WeakPolarHBondContact O-CB 3.45Å; L132-A135 PolarHBondContact O-N 3.49Å; L132-A135 VanDerWaalsContact O-N 3.11Å; A135-M139 HydrophobicContact CB-CE 4.07Å; A135-M139 HydrophobicContact CB-SD 3.97Å; A135-F140 HydrophobicContact CB-CE2 4.11Å; A135-F140 HydrophobicContact CB-CZ 4.21Å; A135-R165 PolarHBondContact O-NH2 3.19Å | ||
| 136 | H | 90.2 | Very high | 89.7 | Confident | 39 Ų | 39 | 41.4 Ų | 41.4 | 18% | 0.181 | 23% | 0.225 | C | C | . | . | trans | -118.7 | 165.7 | -178.6 | 66.9 | -89.5 | 0 | 0 | 0 | 111.5 | V100 I101 A103 G138 M139 F140 | V100-H136 PolarHBondContact O-CE1 2.82Å; I101-H136 PolarHBondContact O-ND1 2.74Å; A103-H136 WeakPolarHBondContact CA-NE2 3.42Å; H136-G138 VanDerWaalsContact C-N 3.26Å; H136-G138 PolarHBondContact CD2-N 2.89Å; H136-G138 VanDerWaalsContact CD2-N 3.34Å; H136-G138 PolarHBondContact O-N 3.17Å; H136-M139 WeakPolarHBondContact O-CB 3.33Å; H136-M139 PolarHBondContact O-N 2.87Å; H136-M139 VanDerWaalsContact O-N 3.15Å; H136-F140 VanDerWaalsContact O-CD2 3.27Å; H136-F140 WeakPolarHBondContact O-CD2 3.29Å | ||
| 137 | M | 89 | Confident | 89.9 | Confident | 100 Ų | 100 | 42.1 Ų | 42.1 | 49% | 0.493 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -55.6 | -34.8 | -172.7 | 174.6 | -179.8 | -70.6 | 0 | 0 | 114.5 | M139 F140 T141 R165 N167 | M137-M139 VanDerWaalsContact C-N 3.3Å; M137-M139 PolarHBondContact O-N 3.23Å; M137-F140 PolarHBondContact O-N 3.04Å; M137-T141 PolarHBondContact O-N 3.47Å; M137-T141 VanDerWaalsContact O-N 3.15Å; M137-T141 PolarHBondContact O-OG1 3.23Å; M137-R165 WeakPolarHBondContact CA-O 3.48Å; M137-R165 VanDerWaalsContact CG-O 3.29Å; M137-R165 WeakPolarHBondContact CG-O 3.35Å; M137-N167 HydrophobicContact SD-CB 4.46Å |
| 138 | G | 90.6 | Very high | 89.9 | Confident | 23 Ų | 23 | 39.7 Ų | 39.7 | 24% | 0.237 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54.8 | -44.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | H136 F140 T141 E142 | H136-G138 VanDerWaalsContact C-N 3.26Å; H136-G138 PolarHBondContact CD2-N 2.89Å; H136-G138 VanDerWaalsContact CD2-N 3.34Å; H136-G138 PolarHBondContact O-N 3.17Å; G138-F140 PolarHBondContact O-N 3.32Å; G138-T141 PolarHBondContact O-N 3.39Å; G138-E142 WeakPolarHBondContact O-CB 3.38Å; G138-E142 WeakPolarHBondContact O-CG 3.41Å; G138-E142 PolarHBondContact O-N 3.48Å |
| 139 | M | 91.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 43.5 Ų | 43.5 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59 | -45.7 | -179.1 | -58.9 | 169.6 | 56.7 | 0 | 0 | 112.7 | V100 L106 A129 A135 H136 M137 T141 L143 | V100-M139 HydrophobicContact CG1-CE 3.52Å; V100-M139 HydrophobicContact CG1-CG 3.71Å; V100-M139 HydrophobicContact CG1-SD 3.75Å; L106-M139 HydrophobicContact CD2-CG 4.33Å; A129-M139 HydrophobicContact CB-CE 3.23Å; A129-M139 VanDerWaalsContact O-CE 3.25Å; A129-M139 WeakPolarHBondContact O-CE 3.43Å; A135-M139 HydrophobicContact CB-CE 4.07Å; A135-M139 HydrophobicContact CB-SD 3.97Å; H136-M139 WeakPolarHBondContact O-CB 3.33Å; H136-M139 PolarHBondContact O-N 2.87Å; H136-M139 VanDerWaalsContact O-N 3.15Å; M137-M139 VanDerWaalsContact C-N 3.3Å; M137-M139 PolarHBondContact O-N 3.23Å; M139-T141 VanDerWaalsContact C-N 3.34Å; M139-L143 VanDerWaalsContact O-CB 3.26Å; M139-L143 WeakPolarHBondContact O-CB 2.95Å; M139-L143 PolarHBondContact O-N 3.23Å |
| 140 | F | 92.7 | Very high | 89.9 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -67.7 | -37.4 | 179.9 | -59.4 | -93.2 | 0 | 0 | 0 | 112 | L130 A135 H136 M137 G138 A144 H158 F162 R165 V166 | L130-F140 HydrophobicContact CD2-CD1 3.36Å; L130-F140 HydrophobicContact CD2-CE1 3.36Å; L130-F140 HydrophobicContact CD2-CG 4.31Å; L130-F140 HydrophobicContact CD2-CZ 4.25Å; L130-F140 HydrophobicContact CG-CD1 4.35Å; L130-F140 HydrophobicContact CG-CE1 4.16Å; A135-F140 HydrophobicContact CB-CE2 4.11Å; A135-F140 HydrophobicContact CB-CZ 4.21Å; H136-F140 VanDerWaalsContact O-CD2 3.27Å; H136-F140 WeakPolarHBondContact O-CD2 3.29Å; M137-F140 PolarHBondContact O-N 3.04Å; G138-F140 PolarHBondContact O-N 3.32Å; F140-A144 WeakPolarHBondContact O-CB 3.34Å; F140-A144 PolarHBondContact O-N 3.46Å; F140-A144 VanDerWaalsContact O-N 3.12Å; F140-H158 PolarHBondContact O-NE2 3.19Å; F140-F162 HydrophobicContact CD1-CB 3.65Å; F140-F162 AromaticContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD2 4.22Å; F140-F162 AromaticContact CD1-CG 3.67Å; F140-F162 HydrophobicContact CD1-CG 3.67Å; F140-F162 HydrophobicContact CE1-CB 4.13Å; F140-F162 AromaticContact CE1-CD1 3.49Å; F140-F162 HydrophobicContact CE1-CD1 3.49Å; F140-F162 VanDerWaalsContact CE1-CD1 3.49Å; F140-F162 HydrophobicContact CE1-CD2 4.39Å; F140-F162 AromaticContact CE1-CE1 3.92Å; F140-F162 HydrophobicContact CE1-CE1 3.92Å; F140-F162 AromaticContact CE1-CG 3.75Å; F140-F162 HydrophobicContact CE1-CG 3.75Å; F140-R165 HydrophobicContact CD2-CB 4.12Å; F140-R165 HydrophobicContact CE2-CB 4.3Å; F140-R165 HydrophobicContact CG-CB 4.35Å; F140-R165 VanDerWaalsContact CZ-CZ 3.48Å; F140-V166 HydrophobicContact CB-CG2 3.48Å; F140-V166 VanDerWaalsContact CB-CG2 3.48Å |
| 141 | T | 93.2 | Very high | 90.1 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.8 | -48.2 | -179.3 | -54.3 | 0 | 0 | 0 | 0 | 110.7 | M137 G138 M139 A144 I145 N167 K170 V171 | M137-T141 PolarHBondContact O-N 3.47Å; M137-T141 VanDerWaalsContact O-N 3.15Å; M137-T141 PolarHBondContact O-OG1 3.23Å; G138-T141 PolarHBondContact O-N 3.39Å; M139-T141 VanDerWaalsContact C-N 3.34Å; T141-A144 WeakPolarHBondContact O-CB 3.44Å; T141-A144 PolarHBondContact O-N 3.04Å; T141-I145 HydrophobicContact CG2-CD1 4.42Å; T141-I145 WeakPolarHBondContact O-CG1 3.44Å; T141-I145 PolarHBondContact O-N 2.98Å; T141-I145 VanDerWaalsContact O-N 3.15Å; T141-N167 HydrophobicContact CG2-CB 3.82Å; T141-N167 PolarHBondContact OG1-N 3.34Å; T141-K170 HydrophobicContact CG2-CB 4.18Å; T141-K170 HydrophobicContact CG2-CD 3.95Å; T141-K170 HydrophobicContact CG2-CG 4.39Å; T141-V171 HydrophobicContact CG2-CG2 3.9Å |
| 142 | E | 90.4 | Very high | 90.2 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 14% | 0.14 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.5 | -38.1 | -180 | -67.3 | -51.7 | 144.2 | 0 | 0 | 112.2 | L106 M110 G138 A144 I145 L146 K170 | L106-E142 HydrophobicContact CD2-CG 4.02Å; M110-E142 HydrophobicContact CE-CB 3.69Å; M110-E142 HydrophobicContact CE-CG 3.97Å; M110-E142 VanDerWaalsContact CE-OE2 3.24Å; M110-E142 WeakPolarHBondContact CE-OE2 3.34Å; M110-E142 HydrophobicContact SD-CB 3.44Å; M110-E142 WeakPolarHBondContact SD-CB 3.43Å; M110-E142 HydrophobicContact SD-CG 3.39Å; M110-E142 WeakPolarHBondContact SD-CG 3.35Å; G138-E142 WeakPolarHBondContact O-CB 3.38Å; G138-E142 WeakPolarHBondContact O-CG 3.41Å; G138-E142 PolarHBondContact O-N 3.48Å; E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 3.29Å; E142-I145 PolarHBondContact O-N 2.83Å; E142-L146 WeakPolarHBondContact O-CG 3.44Å; E142-L146 PolarHBondContact O-N 2.94Å; E142-K170 IonicContact OE1-NZ 2.67Å; E142-K170 PolarHBondContact OE1-NZ 2.96Å |
| 143 | L | 92 | Very high | 90.3 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -41 | 172.4 | -178.8 | 59.6 | 0 | 0 | 0 | 111.7 | I123 L126 L130 M139 I145 L146 Y147 | I123-L143 HydrophobicContact CG2-CD1 4.24Å; L126-L143 HydrophobicContact CB-CB 4.39Å; L126-L143 HydrophobicContact CB-CD1 4Å; L126-L143 HydrophobicContact CD1-CB 4.17Å; L126-L143 HydrophobicContact CD1-CD1 4.36Å; L130-L143 HydrophobicContact CD1-CD2 3.27Å; L130-L143 HydrophobicContact CD2-CD2 4.17Å; L130-L143 HydrophobicContact CG-CD2 4.35Å; M139-L143 VanDerWaalsContact O-CB 3.26Å; M139-L143 WeakPolarHBondContact O-CB 2.95Å; M139-L143 PolarHBondContact O-N 3.23Å; L143-I145 VanDerWaalsContact C-N 3.31Å; L143-I145 PolarHBondContact O-N 3.02Å; L143-L146 PolarHBondContact O-N 3.45Å; L143-Y147 HydrophobicContact CD1-CD1 4.22Å; L143-Y147 HydrophobicContact CD1-CD2 4.34Å; L143-Y147 HydrophobicContact CD1-CE1 3.84Å; L143-Y147 HydrophobicContact CD1-CE2 3.95Å; L143-Y147 HydrophobicContact CD1-CG 4.48Å; L143-Y147 HydrophobicContact CD2-CE2 3.79Å; L143-Y147 HydrophobicContact CG-CD2 3.98Å; L143-Y147 HydrophobicContact CG-CE1 4.43Å; L143-Y147 HydrophobicContact CG-CE2 3.61Å; L143-Y147 PolarHBondContact O-N 3.4Å |
| 144 | A | 92.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.2 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | F140 T141 E142 L146 Y147 S148 L159 V171 | F140-A144 WeakPolarHBondContact O-CB 3.34Å; F140-A144 PolarHBondContact O-N 3.46Å; F140-A144 VanDerWaalsContact O-N 3.12Å; T141-A144 WeakPolarHBondContact O-CB 3.44Å; T141-A144 PolarHBondContact O-N 3.04Å; E142-A144 VanDerWaalsContact C-N 3.3Å; E142-A144 PolarHBondContact O-N 3.29Å; A144-L146 VanDerWaalsContact C-N 3.32Å; A144-Y147 PolarHBondContact O-N 3.27Å; A144-S148 PolarHBondContact O-N 3.22Å; A144-L159 HydrophobicContact CB-CD2 4.39Å; A144-V171 HydrophobicContact CB-CG1 3.94Å; A144-V171 HydrophobicContact CB-CG2 3.89Å |
| 145 | I | 92 | Very high | 91 | Very high | 19 Ų | 19 | 39.1 Ų | 39.1 | 10% | 0.097 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.5 | -35.3 | 176 | -63.9 | 165.4 | 0 | 0 | 0 | 111.3 | T141 E142 L143 S148 K170 A174 | T141-I145 HydrophobicContact CG2-CD1 4.42Å; T141-I145 WeakPolarHBondContact O-CG1 3.44Å; T141-I145 PolarHBondContact O-N 2.98Å; T141-I145 VanDerWaalsContact O-N 3.15Å; E142-I145 PolarHBondContact O-N 2.83Å; L143-I145 VanDerWaalsContact C-N 3.31Å; L143-I145 PolarHBondContact O-N 3.02Å; I145-S148 PolarHBondContact O-OG 3.13Å; I145-K170 HydrophobicContact CD1-CD 4Å; I145-K170 HydrophobicContact CD1-CG 4.09Å; I145-A174 HydrophobicContact CB-CB 4.41Å; I145-A174 HydrophobicContact CG1-CB 3.87Å; I145-A174 HydrophobicContact CG2-CB 4.28Å |
| 146 | L | 91.6 | Very high | 90.9 | Very high | 3 Ų | 3 | 40.9 Ų | 40.9 | 2% | 0.016 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -72 | -41.8 | 174.7 | -66 | 173.4 | 0 | 0 | 0 | 111.6 | L122 I123 L126 E142 L143 A144 S148 K149 F150 | L122-L146 HydrophobicContact CD2-CD1 3.61Å; L122-L146 HydrophobicContact CD2-CD2 4.16Å; L122-L146 HydrophobicContact CG-CD1 3.73Å; I123-L146 HydrophobicContact CD1-CB 4.34Å; I123-L146 HydrophobicContact CG1-CB 3.93Å; I123-L146 HydrophobicContact CG1-CD1 4.11Å; L126-L146 HydrophobicContact CD1-CD1 3.66Å; E142-L146 WeakPolarHBondContact O-CG 3.44Å; E142-L146 PolarHBondContact O-N 2.94Å; L143-L146 PolarHBondContact O-N 3.45Å; A144-L146 VanDerWaalsContact C-N 3.32Å; L146-S148 VanDerWaalsContact C-N 3.3Å; L146-S148 PolarHBondContact O-N 3.34Å; L146-K149 PolarHBondContact O-N 3.16Å; L146-F150 HydrophobicContact CD2-CD2 4.31Å; L146-F150 HydrophobicContact CD2-CE2 4.08Å; L146-F150 WeakPolarHBondContact O-CD2 3.3Å; L146-F150 PolarHBondContact O-N 3.44Å |
| 147 | Y | 93.6 | Very high | 91 | Very high | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.5 | -38.7 | 175 | -74 | -25 | 0 | 0 | 0 | 112.3 | I123 E127 L143 A144 K149 K151 K154 H158 | I123-Y147 HydrophobicContact CG2-CD1 4.33Å; I123-Y147 HydrophobicContact CG2-CE1 3.62Å; E127-Y147 VanDerWaalsContact CD-OH 3.26Å; E127-Y147 WeakPolarHBondContact CG-OH 3.34Å; E127-Y147 PolarHBondContact OE1-OH 3Å; L143-Y147 HydrophobicContact CD1-CD1 4.22Å; L143-Y147 HydrophobicContact CD1-CD2 4.34Å; L143-Y147 HydrophobicContact CD1-CE1 3.84Å; L143-Y147 HydrophobicContact CD1-CE2 3.95Å; L143-Y147 HydrophobicContact CD1-CG 4.48Å; L143-Y147 HydrophobicContact CD2-CE2 3.79Å; L143-Y147 HydrophobicContact CG-CD2 3.98Å; L143-Y147 HydrophobicContact CG-CE1 4.43Å; L143-Y147 HydrophobicContact CG-CE2 3.61Å; L143-Y147 PolarHBondContact O-N 3.4Å; A144-Y147 PolarHBondContact O-N 3.27Å; Y147-K149 PolarHBondContact O-N 3.23Å; Y147-K151 HydrophobicContact CD1-CB 4.08Å; Y147-K151 CarbonylContact O-C 3.54Å; Y147-K151 PolarHBondContact O-N 3.06Å; Y147-K154 HydrophobicContact CD1-CB 4.43Å; Y147-K154 HydrophobicContact CE1-CB 4.26Å; Y147-K154 HydrophobicContact CE1-CD 4.08Å; Y147-K154 HydrophobicContact CE2-CB 4.4Å; Y147-H158 HydrophobicContact CD2-CB 3.87Å; Y147-H158 AromaticContact CD2-CG 3.95Å; Y147-H158 HydrophobicContact CE2-CB 3.78Å; Y147-H158 AromaticContact CE2-CG 3.83Å |
| 148 | S | 91.9 | Very high | 91.2 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61 | -35.2 | 178.9 | 78.4 | 0 | 0 | 0 | 0 | 112.8 | A144 I145 L146 M155 A174 A178 | A144-S148 PolarHBondContact O-N 3.22Å; I145-S148 PolarHBondContact O-OG 3.13Å; L146-S148 VanDerWaalsContact C-N 3.3Å; L146-S148 PolarHBondContact O-N 3.34Å; S148-M155 VanDerWaalsContact CA-SD 3.54Å; S148-M155 VanDerWaalsContact CB-SD 3.51Å; S148-A174 PolarHBondContact OG-O 3.25Å; S148-A178 WeakPolarHBondContact O-CB 3.38Å |
| 149 | K | 89.4 | Confident | 91.2 | Very high | 125 Ų | 125 | 39.7 Ų | 39.7 | 54% | 0.543 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -87.6 | -39.8 | -178.2 | -65.3 | 179 | -178.4 | 179.6 | 0 | 113.9 | L146 Y147 | L146-K149 PolarHBondContact O-N 3.16Å; Y147-K149 PolarHBondContact O-N 3.23Å |
| 150 | F | 89.8 | Confident | 91.2 | Very high | 80 Ų | 80 | 44.7 Ų | 44.7 | 35% | 0.351 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -112.9 | -31.8 | -166.5 | -60.2 | -69.8 | 0 | 0 | 0 | 114.1 | F119 I123 L146 | F119-F150 HydrophobicContact CB-CD1 4.39Å; F119-F150 HydrophobicContact CB-CD2 4.09Å; F119-F150 HydrophobicContact CB-CE1 4.17Å; F119-F150 HydrophobicContact CB-CE2 3.86Å; F119-F150 HydrophobicContact CB-CG 4.36Å; F119-F150 HydrophobicContact CB-CZ 3.91Å; F119-F150 HydrophobicContact CD1-CD2 4.5Å; F119-F150 HydrophobicContact CD1-CE1 4.26Å; F119-F150 AromaticContact CD1-CE2 3.49Å; F119-F150 HydrophobicContact CD1-CE2 3.49Å; F119-F150 VanDerWaalsContact CD1-CE2 3.49Å; F119-F150 AromaticContact CD1-CZ 3.35Å; F119-F150 HydrophobicContact CD1-CZ 3.35Å; F119-F150 AromaticContact CD2-CE1 3.68Å; F119-F150 HydrophobicContact CD2-CE1 3.68Å; F119-F150 HydrophobicContact CD2-CE2 4.37Å; F119-F150 AromaticContact CD2-CZ 3.58Å; F119-F150 HydrophobicContact CD2-CZ 3.58Å; F119-F150 HydrophobicContact CE1-CE2 4.11Å; F119-F150 AromaticContact CE1-CZ 3.65Å; F119-F150 HydrophobicContact CE1-CZ 3.65Å; F119-F150 HydrophobicContact CE2-CE1 4.09Å; F119-F150 AromaticContact CE2-CZ 3.87Å; F119-F150 HydrophobicContact CE2-CZ 3.87Å; F119-F150 HydrophobicContact CG-CD1 4.47Å; F119-F150 HydrophobicContact CG-CD2 4.36Å; F119-F150 AromaticContact CG-CE1 3.77Å; F119-F150 HydrophobicContact CG-CE1 3.77Å; F119-F150 AromaticContact CG-CE2 3.65Å; F119-F150 HydrophobicContact CG-CE2 3.65Å; F119-F150 AromaticContact CG-CZ 3.31Å; F119-F150 HydrophobicContact CG-CZ 3.31Å; F119-F150 AromaticContact CZ-CZ 3.9Å; F119-F150 HydrophobicContact CZ-CZ 3.9Å; I123-F150 HydrophobicContact CD1-CB 4.05Å; I123-F150 HydrophobicContact CD1-CD2 4.46Å; L146-F150 HydrophobicContact CD2-CD2 4.31Å; L146-F150 HydrophobicContact CD2-CE2 4.08Å; L146-F150 WeakPolarHBondContact O-CD2 3.3Å; L146-F150 PolarHBondContact O-N 3.44Å |
| 151 | K | 91.1 | Very high | 91.2 | Very high | 51 Ų | 51 | 50.6 Ų | 50.6 | 22% | 0.222 | 24% | 0.241 | C | C | . | . | trans | -138.7 | 71.3 | -177.7 | -66.3 | -174.4 | -178.9 | 169.9 | 0 | 112.3 | E120 Y147 Q153 K154 | E120-K151 VanDerWaalsContact OE1-CE 3.25Å; E120-K151 WeakPolarHBondContact OE1-CE 3.5Å; E120-K151 IonicContact OE1-NZ 2.67Å; E120-K151 WeakPolarHBondContact OE2-CE 3.49Å; E120-K151 IonicContact OE2-NZ 2.74Å; E120-K151 PolarHBondContact OE2-NZ 3.12Å; Y147-K151 HydrophobicContact CD1-CB 4.08Å; Y147-K151 CarbonylContact O-C 3.54Å; Y147-K151 PolarHBondContact O-N 3.06Å; K151-Q153 PolarHBondContact O-N 3.27Å; K151-Q153 VanDerWaalsContact O-N 3.16Å; K151-K154 HydrophobicContact CD-CD 4.48Å; K151-K154 PolarHBondContact O-N 3.42Å | ||
| 152 | P | 89.3 | Confident | 91.1 | Very high | 53 Ų | 53 | 53.4 Ų | 53.4 | 34% | 0.344 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -53 | -38.4 | 179.5 | -31.1 | 38.2 | 0 | 0 | 0 | 114.1 | K154 M155 L180 | P152-K154 PolarHBondContact O-N 3.38Å; P152-K154 VanDerWaalsContact O-N 3.15Å; P152-M155 VanDerWaalsContact O-CB 3.27Å; P152-M155 WeakPolarHBondContact O-CB 3.41Å; P152-M155 PolarHBondContact O-N 3.39Å; P152-L180 HydrophobicContact CB-CD1 4.36Å; P152-L180 HydrophobicContact CB-CD2 3.74Å; P152-L180 HydrophobicContact CG-CD2 4.21Å |
| 153 | Q | 89.9 | Confident | 91.1 | Very high | 185 Ų | 185 | 56.9 Ų | 56.9 | 86% | 0.864 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -58 | -32.7 | -176.3 | -62.6 | 175.2 | 3 | 0 | 0 | 113.9 | K151 | K151-Q153 PolarHBondContact O-N 3.27Å; K151-Q153 VanDerWaalsContact O-N 3.16Å |
| 154 | K | 90.1 | Very high | 91 | Very high | 78 Ų | 78 | 60.8 Ų | 60.8 | 34% | 0.339 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -88.4 | -12.3 | 179.6 | -70.8 | -170.6 | 174.5 | -164.4 | 0 | 113.2 | E127 Y147 K151 P152 H158 | E127-K154 IonicContact OE1-NZ 2.68Å; E127-K154 PolarHBondContact OE1-NZ 3.2Å; E127-K154 IonicContact OE2-NZ 2.83Å; Y147-K154 HydrophobicContact CD1-CB 4.43Å; Y147-K154 HydrophobicContact CE1-CB 4.26Å; Y147-K154 HydrophobicContact CE1-CD 4.08Å; Y147-K154 HydrophobicContact CE2-CB 4.4Å; K151-K154 HydrophobicContact CD-CD 4.48Å; K151-K154 PolarHBondContact O-N 3.42Å; P152-K154 PolarHBondContact O-N 3.38Å; P152-K154 VanDerWaalsContact O-N 3.15Å; K154-H158 PolarHBondContact O-N 2.94Å; K154-H158 VanDerWaalsContact O-N 3.12Å |
| 155 | M | 90.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.9 | -43.8 | -171.4 | -174.9 | 168 | 170.8 | 0 | 0 | 111.6 | S148 P152 H158 L159 V171 A175 L180 E183 | S148-M155 VanDerWaalsContact CA-SD 3.54Å; S148-M155 VanDerWaalsContact CB-SD 3.51Å; P152-M155 VanDerWaalsContact O-CB 3.27Å; P152-M155 WeakPolarHBondContact O-CB 3.41Å; P152-M155 PolarHBondContact O-N 3.39Å; M155-H158 PolarHBondContact O-N 3.01Å; M155-L159 HydrophobicContact CE-CD1 3.93Å; M155-L159 HydrophobicContact CG-CD1 4.06Å; M155-L159 HydrophobicContact CG-CG 4.4Å; M155-L159 WeakPolarHBondContact O-CG 3.39Å; M155-L159 PolarHBondContact O-N 3.36Å; M155-V171 HydrophobicContact CE-CG1 4.08Å; M155-A175 HydrophobicContact CE-CB 3.86Å; M155-L180 HydrophobicContact CE-CD1 4.32Å; M155-L180 HydrophobicContact SD-CD1 3.21Å; M155-L180 WeakPolarHBondContact SD-CD1 3.41Å; M155-L180 HydrophobicContact SD-CG 4.5Å; M155-E183 HydrophobicContact CB-CG 4.25Å; M155-E183 HydrophobicContact CE-CB 4.36Å; M155-E183 HydrophobicContact CG-CG 4.06Å; M155-E183 HydrophobicContact SD-CG 4.47Å |
| 156 | L | 88.2 | Confident | 90.9 | Very high | 48 Ų | 48 | 65.3 Ų | 65.3 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.2 | -48 | 179.9 | -167.8 | 147.2 | 0 | 0 | 0 | 111.8 | H158 L159 E160 A182 E183 | L156-H158 VanDerWaalsContact C-N 3.3Å; L156-H158 PolarHBondContact O-N 3.22Å; L156-L159 PolarHBondContact O-N 3.2Å; L156-E160 VanDerWaalsContact CD2-CD 3.47Å; L156-E160 HydrophobicContact CD2-CG 4Å; L156-E160 WeakPolarHBondContact CD2-OE1 3.49Å; L156-E160 WeakPolarHBondContact O-CG 3.41Å; L156-E160 PolarHBondContact O-N 3.17Å; L156-A182 HydrophobicContact CD1-CB 4.5Å; L156-E183 HydrophobicContact CB-CG 3.89Å; L156-E183 HydrophobicContact CD1-CG 4.46Å; L156-E183 HydrophobicContact CG-CG 4.43Å |
| 157 | E | 91.7 | Very high | 91 | Very high | 126 Ų | 126 | 68.5 Ų | 68.5 | 59% | 0.589 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.1 | -41.7 | 177.5 | -63.2 | -179.5 | 171.8 | 0 | 0 | 111.9 | E160 L161 | E157-E160 PolarHBondContact O-N 3.39Å; E157-L161 WeakPolarHBondContact O-CG 3.34Å; E157-L161 PolarHBondContact O-N 3.15Å |
| 158 | H | 92.4 | Very high | 90.9 | Very high | 10 Ų | 10 | 68.9 Ų | 68.9 | 5% | 0.046 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 176.9 | 178.9 | 69.6 | 0 | 0 | 0 | 112 | F140 Y147 K154 M155 L156 L161 F162 | F140-H158 PolarHBondContact O-NE2 3.19Å; Y147-H158 HydrophobicContact CD2-CB 3.87Å; Y147-H158 AromaticContact CD2-CG 3.95Å; Y147-H158 HydrophobicContact CE2-CB 3.78Å; Y147-H158 AromaticContact CE2-CG 3.83Å; K154-H158 PolarHBondContact O-N 2.94Å; K154-H158 VanDerWaalsContact O-N 3.12Å; M155-H158 PolarHBondContact O-N 3.01Å; L156-H158 VanDerWaalsContact C-N 3.3Å; L156-H158 PolarHBondContact O-N 3.22Å; H158-L161 PolarHBondContact O-N 3.42Å; H158-F162 AromaticContact CE1-CD2 3.75Å; H158-F162 AromaticContact ND1-CD2 3.4Å; H158-F162 WeakPolarHBondContact ND1-CD2 3.49Å; H158-F162 AromaticContact ND1-CE2 3.98Å; H158-F162 WeakPolarHBondContact O-CB 3.26Å; H158-F162 WeakPolarHBondContact O-CD2 3.45Å; H158-F162 PolarHBondContact O-N 3.47Å |
| 159 | L | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -69.4 | -39.9 | 179.8 | -66.4 | 178.5 | 0 | 0 | 0 | 112 | A144 M155 L156 L161 F162 W163 V171 E183 F186 L187 | A144-L159 HydrophobicContact CB-CD2 4.39Å; M155-L159 HydrophobicContact CE-CD1 3.93Å; M155-L159 HydrophobicContact CG-CD1 4.06Å; M155-L159 HydrophobicContact CG-CG 4.4Å; M155-L159 WeakPolarHBondContact O-CG 3.39Å; M155-L159 PolarHBondContact O-N 3.36Å; L156-L159 PolarHBondContact O-N 3.2Å; L159-L161 VanDerWaalsContact C-N 3.27Å; L159-L161 PolarHBondContact O-N 3.45Å; L159-F162 PolarHBondContact O-N 2.9Å; L159-W163 VanDerWaalsContact O-CB 3.23Å; L159-W163 WeakPolarHBondContact O-CB 3.29Å; L159-W163 PolarHBondContact O-N 3.04Å; L159-V171 HydrophobicContact CD2-CG1 4.35Å; L159-E183 HydrophobicContact CD1-CB 3.97Å; L159-E183 HydrophobicContact CD1-CG 4.44Å; L159-F186 HydrophobicContact CB-CD1 4.15Å; L159-F186 HydrophobicContact CB-CE1 4.08Å; L159-L187 HydrophobicContact CD1-CD1 3.98Å; L159-L187 HydrophobicContact CD1-CD2 4.04Å; L159-L187 HydrophobicContact CD1-CG 3.94Å; L159-L187 HydrophobicContact CD2-CD2 4.02Å |
| 160 | E | 91.3 | Very high | 91.1 | Very high | 107 Ų | 107 | 69.7 Ų | 69.7 | 50% | 0.5 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -58.7 | -39.2 | 176.5 | -77.4 | -173.3 | 164.6 | 0 | 0 | 112.3 | L156 E157 F186 | L156-E160 VanDerWaalsContact CD2-CD 3.47Å; L156-E160 HydrophobicContact CD2-CG 4Å; L156-E160 WeakPolarHBondContact CD2-OE1 3.49Å; L156-E160 WeakPolarHBondContact O-CG 3.41Å; L156-E160 PolarHBondContact O-N 3.17Å; E157-E160 PolarHBondContact O-N 3.39Å; E160-F186 HydrophobicContact CG-CE2 4.17Å; E160-F186 HydrophobicContact CG-CZ 4.14Å |
| 161 | L | 91.8 | Very high | 91.3 | Very high | 125 Ų | 125 | 65.9 Ų | 65.9 | 65% | 0.654 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -80.1 | -38.7 | 179.8 | -66.4 | 174.6 | 0 | 0 | 0 | 113.4 | E157 H158 L159 | E157-L161 WeakPolarHBondContact O-CG 3.34Å; E157-L161 PolarHBondContact O-N 3.15Å; H158-L161 PolarHBondContact O-N 3.42Å; L159-L161 VanDerWaalsContact C-N 3.27Å; L159-L161 PolarHBondContact O-N 3.45Å |
| 162 | F | 92 | Very high | 91.4 | Very high | 63 Ų | 63 | 64 Ų | 64 | 28% | 0.276 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -121.3 | 10.5 | -163.8 | -55.6 | -63.9 | 0 | 0 | 0 | 116 | L130 F140 H158 L159 S164 R165 V166 | L130-F162 HydrophobicContact CD2-CD2 4.18Å; L130-F162 HydrophobicContact CD2-CE2 3.98Å; L130-F162 HydrophobicContact CD2-CZ 4.28Å; F140-F162 HydrophobicContact CD1-CB 3.65Å; F140-F162 AromaticContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD2 4.22Å; F140-F162 AromaticContact CD1-CG 3.67Å; F140-F162 HydrophobicContact CD1-CG 3.67Å; F140-F162 HydrophobicContact CE1-CB 4.13Å; F140-F162 AromaticContact CE1-CD1 3.49Å; F140-F162 HydrophobicContact CE1-CD1 3.49Å; F140-F162 VanDerWaalsContact CE1-CD1 3.49Å; F140-F162 HydrophobicContact CE1-CD2 4.39Å; F140-F162 AromaticContact CE1-CE1 3.92Å; F140-F162 HydrophobicContact CE1-CE1 3.92Å; F140-F162 AromaticContact CE1-CG 3.75Å; F140-F162 HydrophobicContact CE1-CG 3.75Å; H158-F162 AromaticContact CE1-CD2 3.75Å; H158-F162 AromaticContact ND1-CD2 3.4Å; H158-F162 WeakPolarHBondContact ND1-CD2 3.49Å; H158-F162 AromaticContact ND1-CE2 3.98Å; H158-F162 WeakPolarHBondContact O-CB 3.26Å; H158-F162 WeakPolarHBondContact O-CD2 3.45Å; H158-F162 PolarHBondContact O-N 3.47Å; L159-F162 PolarHBondContact O-N 2.9Å; F162-S164 PolarHBondContact O-N 2.97Å; F162-R165 PolarHBondContact O-N 2.58Å; F162-V166 WeakPolarHBondContact O-CG2 3.08Å |
| 163 | W | 90.1 | Very high | 91.5 | Very high | 102 Ų | 102 | 70 Ų | 70 | 39% | 0.386 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -51.5 | -32.8 | -179.1 | 63.6 | -86.7 | 0 | 0 | 0 | 114.6 | L159 R165 F186 K190 | L159-W163 VanDerWaalsContact O-CB 3.23Å; L159-W163 WeakPolarHBondContact O-CB 3.29Å; L159-W163 PolarHBondContact O-N 3.04Å; W163-R165 VanDerWaalsContact C-N 3.27Å; W163-R165 PolarHBondContact O-N 2.89Å; W163-F186 HydrophobicContact CB-CE1 4.21Å; W163-F186 HydrophobicContact CG-CE1 4.48Å; W163-K190 HydrophobicContact CD2-CD 4.34Å; W163-K190 HydrophobicContact CD2-CG 4.17Å; W163-K190 HydrophobicContact CE3-CB 4.07Å; W163-K190 HydrophobicContact CE3-CD 4.43Å; W163-K190 HydrophobicContact CE3-CG 4.21Å; W163-K190 HydrophobicContact CG-CG 4.39Å |
| 164 | S | 91.1 | Very high | 91.6 | Very high | 83 Ų | 83 | 61.5 Ų | 61.5 | 58% | 0.58 | 29% | 0.291 | S | S | * | . | G | 310 helix | trans | -69.9 | -19.6 | 180 | 62.2 | 0 | 0 | 0 | 0 | 114.4 | F162 | F162-S164 PolarHBondContact O-N 2.97Š|
| 165 | R | 89.8 | Confident | 91.7 | Very high | 106 Ų | 106 | 57.8 Ų | 57.8 | 40% | 0.4 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -112.8 | 19.6 | -175.9 | -60.6 | -177.8 | 69 | -174.2 | 1.7 | 112.6 | A135 M137 F140 F162 W163 | A135-R165 PolarHBondContact O-NH2 3.19Å; M137-R165 WeakPolarHBondContact CA-O 3.48Å; M137-R165 VanDerWaalsContact CG-O 3.29Å; M137-R165 WeakPolarHBondContact CG-O 3.35Å; F140-R165 HydrophobicContact CD2-CB 4.12Å; F140-R165 HydrophobicContact CE2-CB 4.3Å; F140-R165 HydrophobicContact CG-CB 4.35Å; F140-R165 VanDerWaalsContact CZ-CZ 3.48Å; F162-R165 PolarHBondContact O-N 2.58Å; W163-R165 VanDerWaalsContact C-N 3.27Å; W163-R165 PolarHBondContact O-N 2.89Å |
| 166 | V | 92.9 | Very high | 91.7 | Very high | 9 Ų | 9 | 62.7 Ų | 62.7 | 6% | 0.055 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -119.1 | 147.5 | -176 | 168.7 | 0 | 0 | 0 | 0 | 110.3 | F140 F162 I168 V171 | F140-V166 HydrophobicContact CB-CG2 3.48Å; F140-V166 VanDerWaalsContact CB-CG2 3.48Å; F162-V166 WeakPolarHBondContact O-CG2 3.08Å; V166-I168 PolarHBondContact O-N 3.49Å; V166-V171 HydrophobicContact CG1-CB 4.28Å; V166-V171 HydrophobicContact CG1-CG2 3.41Å; V166-V171 VanDerWaalsContact CG1-CG2 3.41Å |
| 167 | N | 92.8 | Very high | 91.8 | Very high | 70 Ų | 70 | 67.3 Ų | 67.3 | 37% | 0.374 | 32% | 0.318 | S | S | . | . | trans | -78.6 | 96.1 | 168.3 | -176.4 | -32.5 | 0 | 0 | 0 | 110.2 | M137 T141 P169 K170 V171 | M137-N167 HydrophobicContact SD-CB 4.46Å; T141-N167 HydrophobicContact CG2-CB 3.82Å; T141-N167 PolarHBondContact OG1-N 3.34Å; N167-P169 VanDerWaalsContact OD1-CD 3.3Å; N167-P169 WeakPolarHBondContact OD1-CD 3.42Å; N167-K170 HydrophobicContact CB-CB 4.36Å; N167-K170 PolarHBondContact O-N 3Å; N167-K170 PolarHBondContact OD1-N 3.19Å; N167-V171 WeakPolarHBondContact O-CG2 3.33Å; N167-V171 PolarHBondContact O-N 3.24Å | ||
| 168 | I | 91.5 | Very high | 91.8 | Very high | 22 Ų | 22 | 62.8 Ų | 62.8 | 11% | 0.113 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -58.2 | -49.2 | -174.1 | -60.8 | 166 | 0 | 0 | 0 | 112.7 | V166 K170 V171 L172 L187 Y191 | V166-I168 PolarHBondContact O-N 3.49Å; I168-K170 VanDerWaalsContact C-N 3.3Å; I168-K170 PolarHBondContact O-N 2.89Å; I168-V171 PolarHBondContact O-N 3.04Å; I168-V171 VanDerWaalsContact O-N 3.16Å; I168-L172 HydrophobicContact CG2-CD1 3.75Å; I168-L172 HydrophobicContact CG2-CG 3.98Å; I168-L172 WeakPolarHBondContact O-CB 3.34Å; I168-L172 WeakPolarHBondContact O-CG 3.4Å; I168-L172 PolarHBondContact O-N 3.46Å; I168-L187 HydrophobicContact CG2-CB 4.49Å; I168-L187 HydrophobicContact CG2-CD2 4.41Å; I168-Y191 HydrophobicContact CB-CD2 3.92Å; I168-Y191 HydrophobicContact CB-CE2 4.37Å; I168-Y191 HydrophobicContact CD1-CD2 3.87Å; I168-Y191 HydrophobicContact CG2-CD2 3.72Å; I168-Y191 HydrophobicContact CG2-CE2 4.47Å; I168-Y191 HydrophobicContact CG2-CG 3.84Å |
| 169 | P | 93.7 | Very high | 91.7 | Very high | 51 Ų | 51 | 68 Ų | 68 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.8 | -37.6 | 178.7 | -29 | 34.9 | 0 | 0 | 0 | 114.8 | N167 R173 Y191 | N167-P169 VanDerWaalsContact OD1-CD 3.3Å; N167-P169 WeakPolarHBondContact OD1-CD 3.42Å; P169-R173 PolarHBondContact O-N 3.35Å; P169-Y191 HydrophobicContact CG-CE2 4.22Å |
| 170 | K | 92.6 | Very high | 91.6 | Very high | 94 Ų | 94 | 69 Ų | 69 | 41% | 0.409 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.8 | -42.4 | 178.7 | -166.6 | 179.2 | -178.7 | -179.3 | 0 | 111 | T141 E142 I145 N167 I168 A174 | T141-K170 HydrophobicContact CG2-CB 4.18Å; T141-K170 HydrophobicContact CG2-CD 3.95Å; T141-K170 HydrophobicContact CG2-CG 4.39Å; E142-K170 IonicContact OE1-NZ 2.67Å; E142-K170 PolarHBondContact OE1-NZ 2.96Å; I145-K170 HydrophobicContact CD1-CD 4Å; I145-K170 HydrophobicContact CD1-CG 4.09Å; N167-K170 HydrophobicContact CB-CB 4.36Å; N167-K170 PolarHBondContact O-N 3Å; N167-K170 PolarHBondContact OD1-N 3.19Å; I168-K170 VanDerWaalsContact C-N 3.3Å; I168-K170 PolarHBondContact O-N 2.89Å; K170-A174 PolarHBondContact O-N 3.45Å |
| 171 | V | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.1 | -36.3 | 178.9 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | T141 A144 M155 L159 V166 N167 I168 R173 A174 A175 L187 | T141-V171 HydrophobicContact CG2-CG2 3.9Å; A144-V171 HydrophobicContact CB-CG1 3.94Å; A144-V171 HydrophobicContact CB-CG2 3.89Å; M155-V171 HydrophobicContact CE-CG1 4.08Å; L159-V171 HydrophobicContact CD2-CG1 4.35Å; V166-V171 HydrophobicContact CG1-CB 4.28Å; V166-V171 HydrophobicContact CG1-CG2 3.41Å; V166-V171 VanDerWaalsContact CG1-CG2 3.41Å; N167-V171 WeakPolarHBondContact O-CG2 3.33Å; N167-V171 PolarHBondContact O-N 3.24Å; I168-V171 PolarHBondContact O-N 3.04Å; I168-V171 VanDerWaalsContact O-N 3.16Å; V171-R173 VanDerWaalsContact C-N 3.34Å; V171-R173 PolarHBondContact O-N 2.7Å; V171-A174 CarbonylContact O-C 2.87Å; V171-A174 PolarHBondContact O-N 2.92Å; V171-A174 VanDerWaalsContact O-N 3.09Å; V171-A175 WeakPolarHBondContact O-CB 3.19Å; V171-A175 PolarHBondContact O-N 2.96Å; V171-L187 HydrophobicContact CB-CD1 4.37Å; V171-L187 HydrophobicContact CG1-CD1 3.73Å |
| 172 | L | 92.6 | Very high | 91.6 | Very high | 13 Ų | 13 | 61.2 Ų | 61.2 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.4 | -48 | 175.4 | -81.2 | 171 | 0 | 0 | 0 | 111.8 | I168 A174 A175 E176 L184 L187 Y188 Y191 | I168-L172 HydrophobicContact CG2-CD1 3.75Å; I168-L172 HydrophobicContact CG2-CG 3.98Å; I168-L172 WeakPolarHBondContact O-CB 3.34Å; I168-L172 WeakPolarHBondContact O-CG 3.4Å; I168-L172 PolarHBondContact O-N 3.46Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.32Å; L172-A175 PolarHBondContact O-N 3.14Å; L172-E176 WeakPolarHBondContact O-CB 3.46Å; L172-E176 PolarHBondContact O-N 3.47Å; L172-L184 HydrophobicContact CD2-CG 4.4Å; L172-L187 HydrophobicContact CD2-CB 3.49Å; L172-L187 VanDerWaalsContact CD2-CB 3.49Å; L172-L187 HydrophobicContact CD2-CD1 4.02Å; L172-L187 HydrophobicContact CD2-CG 4.41Å; L172-L187 HydrophobicContact CG-CB 4.18Å; L172-L187 HydrophobicContact CG-CD1 4.37Å; L172-Y188 HydrophobicContact CD1-CD1 4.02Å; L172-Y188 HydrophobicContact CD1-CE1 3.82Å; L172-Y188 HydrophobicContact CD2-CD1 3.74Å; L172-Y188 HydrophobicContact CD2-CE1 3.64Å; L172-Y188 HydrophobicContact CD2-CG 4.3Å; L172-Y188 HydrophobicContact CG-CE1 4.33Å; L172-Y191 HydrophobicContact CD1-CD1 4.4Å |
| 173 | R | 92 | Very high | 91.5 | Very high | 177 Ų | 177 | 59.3 Ų | 59.3 | 67% | 0.668 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61 | -39.4 | 176.4 | -65 | -178.3 | -164.3 | 175.7 | 4.3 | 112.3 | P169 V171 Q177 | P169-R173 PolarHBondContact O-N 3.35Å; V171-R173 VanDerWaalsContact C-N 3.34Å; V171-R173 PolarHBondContact O-N 2.7Å; R173-Q177 WeakPolarHBondContact O-CB 3.49Å; R173-Q177 VanDerWaalsContact O-CG 3.23Å; R173-Q177 WeakPolarHBondContact O-CG 3.28Å; R173-Q177 PolarHBondContact O-N 3.03Å; R173-Q177 VanDerWaalsContact O-N 3.1Å |
| 174 | A | 91.8 | Very high | 91.6 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 7% | 0.066 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.1 | -34.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I145 S148 K170 V171 L172 A178 | I145-A174 HydrophobicContact CB-CB 4.41Å; I145-A174 HydrophobicContact CG1-CB 3.87Å; I145-A174 HydrophobicContact CG2-CB 4.28Å; S148-A174 PolarHBondContact OG-O 3.25Å; K170-A174 PolarHBondContact O-N 3.45Å; V171-A174 CarbonylContact O-C 2.87Å; V171-A174 PolarHBondContact O-N 2.92Å; V171-A174 VanDerWaalsContact O-N 3.09Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.32Å; A174-A178 WeakPolarHBondContact O-CB 3.24Å; A174-A178 PolarHBondContact O-N 3.41Å |
| 175 | A | 91.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.5 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | M155 V171 L172 A178 H179 L180 L184 L187 | M155-A175 HydrophobicContact CE-CB 3.86Å; V171-A175 WeakPolarHBondContact O-CB 3.19Å; V171-A175 PolarHBondContact O-N 2.96Å; L172-A175 PolarHBondContact O-N 3.14Å; A175-A178 CarbonylContact O-C 3.6Å; A175-A178 PolarHBondContact O-N 3.35Å; A175-H179 PolarHBondContact O-N 3.11Å; A175-L180 PolarHBondContact O-N 3.18Å; A175-L180 VanDerWaalsContact O-N 3.17Å; A175-L184 HydrophobicContact CB-CB 4.27Å; A175-L184 HydrophobicContact CB-CD1 4.44Å; A175-L184 HydrophobicContact CB-CG 4.42Å; A175-L187 HydrophobicContact CB-CD1 4.45Å |
| 176 | E | 89.9 | Confident | 91.8 | Very high | 103 Ų | 103 | 47.1 Ų | 47.1 | 48% | 0.481 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -64.2 | -43.2 | 176.2 | -171 | 177.7 | -166.9 | 0 | 0 | 111.3 | L172 A178 H179 L184 | L172-E176 WeakPolarHBondContact O-CB 3.46Å; L172-E176 PolarHBondContact O-N 3.47Å; E176-A178 PolarHBondContact O-N 2.99Å; E176-H179 PolarHBondContact O-N 3.04Å; E176-H179 PolarHBondContact O-ND1 3.36Å; E176-L184 HydrophobicContact CB-CD1 3.93Å; E176-L184 HydrophobicContact CG-CD1 4.44Å |
| 177 | Q | 91.3 | Very high | 91.7 | Very high | 144 Ų | 144 | 46.7 Ų | 46.7 | 67% | 0.673 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.3 | -29.5 | 173.6 | -73.8 | 171.8 | 15.9 | 0 | 0 | 113.3 | R173 | R173-Q177 WeakPolarHBondContact O-CB 3.49Å; R173-Q177 VanDerWaalsContact O-CG 3.23Å; R173-Q177 WeakPolarHBondContact O-CG 3.28Å; R173-Q177 PolarHBondContact O-N 3.03Å; R173-Q177 VanDerWaalsContact O-N 3.1Å |
| 178 | A | 90.8 | Very high | 91.7 | Very high | 32 Ų | 32 | 44.6 Ų | 44.6 | 26% | 0.264 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -2.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S148 A174 A175 E176 L180 | S148-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 WeakPolarHBondContact O-CB 3.24Å; A174-A178 PolarHBondContact O-N 3.41Å; A175-A178 CarbonylContact O-C 3.6Å; A175-A178 PolarHBondContact O-N 3.35Å; E176-A178 PolarHBondContact O-N 2.99Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 HydrophobicContact CB-CD1 3.91Å; A178-L180 HydrophobicContact CB-CG 3.89Å; A178-L180 PolarHBondContact O-N 2.76Å |
| 179 | H | 90.3 | Very high | 91.8 | Very high | 118 Ų | 118 | 44.8 Ų | 44.8 | 55% | 0.546 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.4 | 39.5 | -176.8 | -57.2 | -47.9 | 0 | 0 | 0 | 114.2 | A175 E176 W181 | A175-H179 PolarHBondContact O-N 3.11Å; E176-H179 PolarHBondContact O-N 3.04Å; E176-H179 PolarHBondContact O-ND1 3.36Å; H179-W181 HydrophobicContact CB-CZ2 3.88Å; H179-W181 AromaticContact CG-CZ2 3.92Å; H179-W181 AromaticContact ND1-CH2 3.71Å; H179-W181 AromaticContact ND1-CZ2 3.37Å; H179-W181 WeakPolarHBondContact ND1-CZ2 3.37Å; H179-W181 PolarHBondContact O-N 3.18Å; H179-W181 PolarHBondContact O-NE1 3.1Å |
| 180 | L | 91.8 | Very high | 91.7 | Very high | 22 Ų | 22 | 46 Ų | 46 | 12% | 0.115 | 22% | 0.215 | C | C | . | . | trans | -93.1 | 76.3 | -179.8 | -63.8 | 178.1 | 0 | 0 | 0 | 110.8 | P152 M155 A175 A178 A182 E183 L184 | P152-L180 HydrophobicContact CB-CD1 4.36Å; P152-L180 HydrophobicContact CB-CD2 3.74Å; P152-L180 HydrophobicContact CG-CD2 4.21Å; M155-L180 HydrophobicContact CE-CD1 4.32Å; M155-L180 HydrophobicContact SD-CD1 3.21Å; M155-L180 WeakPolarHBondContact SD-CD1 3.41Å; M155-L180 HydrophobicContact SD-CG 4.5Å; A175-L180 PolarHBondContact O-N 3.18Å; A175-L180 VanDerWaalsContact O-N 3.17Å; A178-L180 VanDerWaalsContact C-N 3.29Å; A178-L180 HydrophobicContact CB-CD1 3.91Å; A178-L180 HydrophobicContact CB-CG 3.89Å; A178-L180 PolarHBondContact O-N 2.76Å; L180-A182 PolarHBondContact O-N 3.03Å; L180-E183 HydrophobicContact CB-CB 4.37Å; L180-E183 WeakPolarHBondContact CB-OE2 3.5Å; L180-E183 PolarHBondContact O-N 3.34Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 PolarHBondContact O-N 3.12Å | ||
| 181 | W | 92 | Very high | 91.6 | Very high | 38 Ų | 38 | 46.1 Ų | 46.1 | 14% | 0.144 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.7 | -33.8 | -166.6 | -53.1 | 115.9 | 0 | 0 | 0 | 114.1 | H179 L184 V185 T200 H204 E207 A208 | H179-W181 HydrophobicContact CB-CZ2 3.88Å; H179-W181 AromaticContact CG-CZ2 3.92Å; H179-W181 AromaticContact ND1-CH2 3.71Å; H179-W181 AromaticContact ND1-CZ2 3.37Å; H179-W181 WeakPolarHBondContact ND1-CZ2 3.37Å; H179-W181 PolarHBondContact O-N 3.18Å; H179-W181 PolarHBondContact O-NE1 3.1Å; W181-L184 HydrophobicContact CE3-CD1 3.93Å; W181-L184 HydrophobicContact CZ3-CD1 3.95Å; W181-V185 WeakPolarHBondContact O-CB 3.38Å; W181-V185 WeakPolarHBondContact O-CG2 3.29Å; W181-V185 PolarHBondContact O-N 3.43Å; W181-T200 HydrophobicContact CB-CG2 4.18Å; W181-T200 HydrophobicContact CD2-CG2 4.2Å; W181-T200 HydrophobicContact CE3-CG2 3.47Å; W181-T200 VanDerWaalsContact CE3-CG2 3.47Å; W181-T200 HydrophobicContact CZ3-CG2 4.21Å; W181-H204 HydrophobicContact CB-CB 4.23Å; W181-H204 AromaticContact CD1-CG 3.65Å; W181-H204 HydrophobicContact CD2-CB 4.35Å; W181-H204 AromaticContact CD2-CD2 3.3Å; W181-H204 AromaticContact CD2-CG 3.72Å; W181-H204 AromaticContact CD2-NE2 3.82Å; W181-H204 AromaticContact CE2-CD2 3.37Å; W181-H204 AromaticContact CE2-CE1 3.63Å; W181-H204 AromaticContact CE2-CG 3.65Å; W181-H204 AromaticContact CE2-ND1 3.79Å; W181-H204 AromaticContact CE2-NE2 3.43Å; W181-H204 AromaticContact CE3-CD2 3.62Å; W181-H204 HydrophobicContact CG-CB 3.87Å; W181-H204 AromaticContact CG-CD2 3.78Å; W181-H204 AromaticContact CG-CG 3.73Å; W181-H204 AromaticContact CH2-CD2 3.99Å; W181-H204 AromaticContact CH2-NE2 3.53Å; W181-H204 AromaticContact CZ2-CD2 3.74Å; W181-H204 AromaticContact CZ2-CE1 3.58Å; W181-H204 AromaticContact CZ2-NE2 3.29Å; W181-H204 VanDerWaalsContact CZ2-NE2 3.29Å; W181-H204 WeakPolarHBondContact CZ2-NE2 3.43Å; W181-H204 AromaticContact CZ3-CD2 3.94Å; W181-H204 AromaticContact CZ3-NE2 3.9Å; W181-H204 AromaticContact NE1-CD2 3.84Å; W181-H204 AromaticContact NE1-CE1 3.84Å; W181-H204 AromaticContact NE1-CG 3.61Å; W181-H204 AromaticContact NE1-ND1 3.6Å; W181-E207 VanDerWaalsContact CD1-OE2 3.29Å; W181-A208 HydrophobicContact CB-CB 4.03Å |
| 182 | A | 89.3 | Confident | 91.5 | Very high | 31 Ų | 31 | 52.9 Ų | 52.9 | 26% | 0.256 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.2 | -44.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L156 L180 F186 | L156-A182 HydrophobicContact CD1-CB 4.5Å; L180-A182 PolarHBondContact O-N 3.03Å; A182-F186 PolarHBondContact O-N 3.33Å |
| 183 | E | 90.4 | Very high | 91.5 | Very high | 23 Ų | 23 | 55.5 Ų | 55.5 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 177 | -65.2 | 80 | -178.3 | 0 | 0 | 111.4 | M155 L156 L159 L180 F186 L187 | M155-E183 HydrophobicContact CB-CG 4.25Å; M155-E183 HydrophobicContact CE-CB 4.36Å; M155-E183 HydrophobicContact CG-CG 4.06Å; M155-E183 HydrophobicContact SD-CG 4.47Å; L156-E183 HydrophobicContact CB-CG 3.89Å; L156-E183 HydrophobicContact CD1-CG 4.46Å; L156-E183 HydrophobicContact CG-CG 4.43Å; L159-E183 HydrophobicContact CD1-CB 3.97Å; L159-E183 HydrophobicContact CD1-CG 4.44Å; L180-E183 HydrophobicContact CB-CB 4.37Å; L180-E183 WeakPolarHBondContact CB-OE2 3.5Å; L180-E183 PolarHBondContact O-N 3.34Å; E183-F186 WeakPolarHBondContact O-CB 3.3Å; E183-F186 PolarHBondContact O-N 3.26Å; E183-L187 WeakPolarHBondContact O-CG 3.43Å; E183-L187 PolarHBondContact O-N 3.07Å |
| 184 | L | 92.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.005 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -42.7 | 179.3 | -169.5 | 165.3 | 0 | 0 | 0 | 110.9 | L172 A175 E176 L180 W181 F186 L187 Y188 T200 | L172-L184 HydrophobicContact CD2-CG 4.4Å; A175-L184 HydrophobicContact CB-CB 4.27Å; A175-L184 HydrophobicContact CB-CD1 4.44Å; A175-L184 HydrophobicContact CB-CG 4.42Å; E176-L184 HydrophobicContact CB-CD1 3.93Å; E176-L184 HydrophobicContact CG-CD1 4.44Å; L180-L184 WeakPolarHBondContact O-CB 3.39Å; L180-L184 PolarHBondContact O-N 3.12Å; W181-L184 HydrophobicContact CE3-CD1 3.93Å; W181-L184 HydrophobicContact CZ3-CD1 3.95Å; L184-F186 VanDerWaalsContact C-N 3.34Å; L184-F186 PolarHBondContact O-N 2.94Å; L184-L187 WeakPolarHBondContact O-CB 3.5Å; L184-L187 PolarHBondContact O-N 2.91Å; L184-Y188 HydrophobicContact CD2-CD2 3.33Å; L184-Y188 HydrophobicContact CD2-CE2 2.97Å; L184-Y188 HydrophobicContact CD2-CG 4.3Å; L184-Y188 HydrophobicContact CG-CE2 4.27Å; L184-Y188 PolarHBondContact O-N 2.82Å; L184-T200 HydrophobicContact CD2-CG2 4.2Å |
| 185 | V | 92.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.5 | -39 | 174.1 | 164.8 | 0 | 0 | 0 | 0 | 112.2 | W181 L187 Y188 D189 T200 M201 A208 | W181-V185 WeakPolarHBondContact O-CB 3.38Å; W181-V185 WeakPolarHBondContact O-CG2 3.29Å; W181-V185 PolarHBondContact O-N 3.43Å; V185-L187 VanDerWaalsContact C-N 3.34Å; V185-Y188 PolarHBondContact O-N 3.08Å; V185-D189 PolarHBondContact O-N 3.39Å; V185-T200 HydrophobicContact CG2-CG2 3.72Å; V185-M201 HydrophobicContact CG1-CE 3.25Å; V185-M201 HydrophobicContact CG1-CG 4.05Å; V185-M201 HydrophobicContact CG1-SD 4.38Å; V185-M201 HydrophobicContact CG2-CG 4Å; V185-A208 HydrophobicContact CG2-CB 3.9Å |
| 186 | F | 92 | Very high | 91.5 | Very high | 32 Ų | 32 | 53.9 Ų | 53.9 | 14% | 0.14 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 173 | 175.9 | -93.7 | 0 | 0 | 0 | 111.7 | L159 E160 W163 A182 E183 L184 D189 K190 | L159-F186 HydrophobicContact CB-CD1 4.15Å; L159-F186 HydrophobicContact CB-CE1 4.08Å; E160-F186 HydrophobicContact CG-CE2 4.17Å; E160-F186 HydrophobicContact CG-CZ 4.14Å; W163-F186 HydrophobicContact CB-CE1 4.21Å; W163-F186 HydrophobicContact CG-CE1 4.48Å; A182-F186 PolarHBondContact O-N 3.33Å; E183-F186 WeakPolarHBondContact O-CB 3.3Å; E183-F186 PolarHBondContact O-N 3.26Å; L184-F186 VanDerWaalsContact C-N 3.34Å; L184-F186 PolarHBondContact O-N 2.94Å; F186-D189 PolarHBondContact O-N 3.38Å; F186-K190 HydrophobicContact CD1-CG 4.47Å; F186-K190 HydrophobicContact CE1-CG 4.02Å; F186-K190 HydrophobicContact CE2-CG 4.4Å; F186-K190 HydrophobicContact CZ-CD 4.49Å; F186-K190 HydrophobicContact CZ-CG 3.98Å; F186-K190 WeakPolarHBondContact O-CG 3.42Å; F186-K190 PolarHBondContact O-N 2.84Å; F186-K190 VanDerWaalsContact O-N 3.08Å |
| 187 | L | 92.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 176.3 | -71.2 | 172.5 | 0 | 0 | 0 | 112 | L159 I168 V171 L172 A175 E183 L184 V185 K190 Y191 | L159-L187 HydrophobicContact CD1-CD1 3.98Å; L159-L187 HydrophobicContact CD1-CD2 4.04Å; L159-L187 HydrophobicContact CD1-CG 3.94Å; L159-L187 HydrophobicContact CD2-CD2 4.02Å; I168-L187 HydrophobicContact CG2-CB 4.49Å; I168-L187 HydrophobicContact CG2-CD2 4.41Å; V171-L187 HydrophobicContact CB-CD1 4.37Å; V171-L187 HydrophobicContact CG1-CD1 3.73Å; L172-L187 HydrophobicContact CD2-CB 3.49Å; L172-L187 VanDerWaalsContact CD2-CB 3.49Å; L172-L187 HydrophobicContact CD2-CD1 4.02Å; L172-L187 HydrophobicContact CD2-CG 4.41Å; L172-L187 HydrophobicContact CG-CB 4.18Å; L172-L187 HydrophobicContact CG-CD1 4.37Å; A175-L187 HydrophobicContact CB-CD1 4.45Å; E183-L187 WeakPolarHBondContact O-CG 3.43Å; E183-L187 PolarHBondContact O-N 3.07Å; L184-L187 WeakPolarHBondContact O-CB 3.5Å; L184-L187 PolarHBondContact O-N 2.91Å; V185-L187 VanDerWaalsContact C-N 3.34Å; L187-K190 PolarHBondContact O-N 3.49Å; L187-Y191 VanDerWaalsContact O-CB 3.25Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 PolarHBondContact O-N 3.18Å |
| 188 | Y | 93.2 | Very high | 91.6 | Very high | 26 Ų | 26 | 42.1 Ų | 42.1 | 10% | 0.102 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.5 | -37.8 | 175.8 | -75.6 | -38.5 | 0 | 0 | 0 | 113 | L172 L184 V185 K190 Y191 E192 E193 N196 A197 | L172-Y188 HydrophobicContact CD1-CD1 4.02Å; L172-Y188 HydrophobicContact CD1-CE1 3.82Å; L172-Y188 HydrophobicContact CD2-CD1 3.74Å; L172-Y188 HydrophobicContact CD2-CE1 3.64Å; L172-Y188 HydrophobicContact CD2-CG 4.3Å; L172-Y188 HydrophobicContact CG-CE1 4.33Å; L184-Y188 HydrophobicContact CD2-CD2 3.33Å; L184-Y188 HydrophobicContact CD2-CE2 2.97Å; L184-Y188 HydrophobicContact CD2-CG 4.3Å; L184-Y188 HydrophobicContact CG-CE2 4.27Å; L184-Y188 PolarHBondContact O-N 2.82Å; V185-Y188 PolarHBondContact O-N 3.08Å; Y188-K190 PolarHBondContact O-N 3.06Å; Y188-Y191 PolarHBondContact O-N 3.24Å; Y188-E192 PolarHBondContact O-N 3.23Å; Y188-E192 VanDerWaalsContact O-N 3.11Å; Y188-E193 HydrophobicContact CD1-CB 3.91Å; Y188-E193 WeakPolarHBondContact CE1-OE2 3.33Å; Y188-E193 PolarHBondContact O-N 3.3Å; Y188-N196 HydrophobicContact CD1-CB 4.02Å; Y188-N196 HydrophobicContact CD2-CB 3.75Å; Y188-N196 HydrophobicContact CE1-CB 3.85Å; Y188-N196 HydrophobicContact CE2-CB 3.5Å; Y188-N196 VanDerWaalsContact CE2-CB 3.5Å; Y188-N196 HydrophobicContact CG-CB 4.02Å; Y188-A197 HydrophobicContact CD2-CB 4.45Å |
| 189 | D | 92.3 | Very high | 91.6 | Very high | 27 Ų | 27 | 43.8 Ų | 43.8 | 14% | 0.144 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -59.5 | -45.4 | 173.2 | 175.9 | 62.2 | 0 | 0 | 0 | 111.5 | V185 F186 E192 I217 | V185-D189 PolarHBondContact O-N 3.39Å; F186-D189 PolarHBondContact O-N 3.38Å; D189-E192 PolarHBondContact O-N 3.25Å; D189-I217 HydrophobicContact CB-CD1 4.41Å |
| 190 | K | 91.1 | Very high | 91.6 | Very high | 75 Ų | 75 | 38.9 Ų | 38.9 | 33% | 0.326 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -73.2 | -27 | 178.4 | -62.2 | -51.6 | 175.4 | -143.7 | 0 | 114.2 | W163 F186 L187 Y188 E192 | W163-K190 HydrophobicContact CD2-CD 4.34Å; W163-K190 HydrophobicContact CD2-CG 4.17Å; W163-K190 HydrophobicContact CE3-CB 4.07Å; W163-K190 HydrophobicContact CE3-CD 4.43Å; W163-K190 HydrophobicContact CE3-CG 4.21Å; W163-K190 HydrophobicContact CG-CG 4.39Å; F186-K190 HydrophobicContact CD1-CG 4.47Å; F186-K190 HydrophobicContact CE1-CG 4.02Å; F186-K190 HydrophobicContact CE2-CG 4.4Å; F186-K190 HydrophobicContact CZ-CD 4.49Å; F186-K190 HydrophobicContact CZ-CG 3.98Å; F186-K190 WeakPolarHBondContact O-CG 3.42Å; F186-K190 PolarHBondContact O-N 2.84Å; F186-K190 VanDerWaalsContact O-N 3.08Å; L187-K190 PolarHBondContact O-N 3.49Å; Y188-K190 PolarHBondContact O-N 3.06Å; K190-E192 VanDerWaalsContact C-N 3.25Å |
| 191 | Y | 92.3 | Very high | 91.6 | Very high | 97 Ų | 97 | 37.8 Ų | 37.8 | 38% | 0.38 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | 0.8 | 176.5 | -158.4 | -119.7 | 0 | 0 | 0 | 113.1 | I168 P169 L172 L187 Y188 E193 | I168-Y191 HydrophobicContact CB-CD2 3.92Å; I168-Y191 HydrophobicContact CB-CE2 4.37Å; I168-Y191 HydrophobicContact CD1-CD2 3.87Å; I168-Y191 HydrophobicContact CG2-CD2 3.72Å; I168-Y191 HydrophobicContact CG2-CE2 4.47Å; I168-Y191 HydrophobicContact CG2-CG 3.84Å; P169-Y191 HydrophobicContact CG-CE2 4.22Å; L172-Y191 HydrophobicContact CD1-CD1 4.4Å; L187-Y191 VanDerWaalsContact O-CB 3.25Å; L187-Y191 WeakPolarHBondContact O-CB 3.48Å; L187-Y191 PolarHBondContact O-N 3.18Å; Y188-Y191 PolarHBondContact O-N 3.24Å; Y191-E193 HydrophobicContact CD1-CB 4.38Å; Y191-E193 HydrophobicContact CD1-CG 3.65Å; Y191-E193 WeakPolarHBondContact CD1-OE1 3.16Å; Y191-E193 HydrophobicContact CE1-CG 4.17Å; Y191-E193 VanDerWaalsContact CE1-OE1 3.23Å; Y191-E193 WeakPolarHBondContact CE1-OE1 3.41Å; Y191-E193 PolarHBondContact O-N 3.3Å |
| 192 | E | 90.6 | Very high | 91.4 | Very high | 143 Ų | 143 | 37.7 Ų | 37.7 | 67% | 0.668 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.1 | 16.3 | -177.9 | -51.2 | -177.9 | 155.1 | 0 | 0 | 114 | Y188 D189 K190 Y194 | Y188-E192 PolarHBondContact O-N 3.23Å; Y188-E192 VanDerWaalsContact O-N 3.11Å; D189-E192 PolarHBondContact O-N 3.25Å; K190-E192 VanDerWaalsContact C-N 3.25Å; E192-Y194 HydrophobicContact CB-CE2 3.94Å; E192-Y194 HydrophobicContact CG-CE2 4.5Å; E192-Y194 WeakPolarHBondContact O-CD2 3.48Å; E192-Y194 PolarHBondContact O-N 2.81Å; E192-Y194 VanDerWaalsContact O-N 3.1Å |
| 193 | E | 92.4 | Very high | 91.4 | Very high | 68 Ų | 68 | 39.6 Ų | 39.6 | 32% | 0.318 | 19% | 0.194 | S | C | . | . | trans | -86.9 | 61.3 | 171.6 | -77.2 | -171.9 | -174 | 0 | 0 | 110.4 | Y188 Y191 D195 N196 A197 | Y188-E193 HydrophobicContact CD1-CB 3.91Å; Y188-E193 WeakPolarHBondContact CE1-OE2 3.33Å; Y188-E193 PolarHBondContact O-N 3.3Å; Y191-E193 HydrophobicContact CD1-CB 4.38Å; Y191-E193 HydrophobicContact CD1-CG 3.65Å; Y191-E193 WeakPolarHBondContact CD1-OE1 3.16Å; Y191-E193 HydrophobicContact CE1-CG 4.17Å; Y191-E193 VanDerWaalsContact CE1-OE1 3.23Å; Y191-E193 WeakPolarHBondContact CE1-OE1 3.41Å; Y191-E193 PolarHBondContact O-N 3.3Å; E193-D195 PolarHBondContact O-N 3.04Å; E193-N196 HydrophobicContact CB-CB 4.48Å; E193-N196 PolarHBondContact O-N 3.31Å; E193-N196 PolarHBondContact OE2-ND2 3.2Å; E193-A197 PolarHBondContact O-N 3.23Å; E193-A197 VanDerWaalsContact O-N 3.16Å | ||
| 194 | Y | 92.4 | Very high | 91.3 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 14% | 0.141 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.8 | -33.7 | -176.3 | -56.2 | -63 | 0 | 0 | 0 | 113 | E192 N196 A197 V198 I217 K220 | E192-Y194 HydrophobicContact CB-CE2 3.94Å; E192-Y194 HydrophobicContact CG-CE2 4.5Å; E192-Y194 WeakPolarHBondContact O-CD2 3.48Å; E192-Y194 PolarHBondContact O-N 2.81Å; E192-Y194 VanDerWaalsContact O-N 3.1Å; Y194-N196 VanDerWaalsContact C-N 3.34Å; Y194-N196 PolarHBondContact O-N 3.43Å; Y194-A197 WeakPolarHBondContact O-CB 3.3Å; Y194-A197 PolarHBondContact O-N 2.95Å; Y194-V198 WeakPolarHBondContact O-CG2 3.46Å; Y194-V198 PolarHBondContact O-N 3.42Å; Y194-I217 HydrophobicContact CD1-CG2 3.98Å; Y194-I217 HydrophobicContact CG-CG2 4.36Å; Y194-K220 HydrophobicContact CD1-CB 4.39Å; Y194-K220 HydrophobicContact CD1-CD 4.2Å; Y194-K220 HydrophobicContact CD2-CB 3.62Å; Y194-K220 HydrophobicContact CD2-CD 4.33Å; Y194-K220 HydrophobicContact CE1-CB 4.47Å; Y194-K220 HydrophobicContact CE1-CD 3.58Å; Y194-K220 HydrophobicContact CE2-CB 3.74Å; Y194-K220 HydrophobicContact CE2-CD 3.75Å; Y194-K220 HydrophobicContact CE2-CG 4.42Å; Y194-K220 HydrophobicContact CG-CB 3.96Å; Y194-K220 WeakPolarHBondContact OH-CD 3.22Å; Y194-K220 PolarHBondContact OH-NZ 2.97Å |
| 195 | D | 91.3 | Very high | 91 | Very high | 54 Ų | 54 | 43.3 Ų | 43.3 | 29% | 0.289 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.8 | -46.5 | 178.9 | -67.5 | 17 | 0 | 0 | 0 | 111.2 | E193 L199 V221 L226 | E193-D195 PolarHBondContact O-N 3.04Å; D195-L199 WeakPolarHBondContact O-CG 3.16Å; D195-L199 PolarHBondContact O-N 3.45Å; D195-L199 VanDerWaalsContact O-N 3.16Å; D195-V221 WeakPolarHBondContact OD1-CG1 3.36Å; D195-L226 HydrophobicContact CB-CD1 3.68Å |
| 196 | N | 90.6 | Very high | 90.7 | Very high | 60 Ų | 60 | 49.6 Ų | 49.6 | 32% | 0.321 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70.6 | -39.2 | 178.9 | -66 | -28.6 | 0 | 0 | 0 | 111.1 | Y188 E193 Y194 V198 L199 T200 | Y188-N196 HydrophobicContact CD1-CB 4.02Å; Y188-N196 HydrophobicContact CD2-CB 3.75Å; Y188-N196 HydrophobicContact CE1-CB 3.85Å; Y188-N196 HydrophobicContact CE2-CB 3.5Å; Y188-N196 VanDerWaalsContact CE2-CB 3.5Å; Y188-N196 HydrophobicContact CG-CB 4.02Å; E193-N196 HydrophobicContact CB-CB 4.48Å; E193-N196 PolarHBondContact O-N 3.31Å; E193-N196 PolarHBondContact OE2-ND2 3.2Å; Y194-N196 VanDerWaalsContact C-N 3.34Å; Y194-N196 PolarHBondContact O-N 3.43Å; N196-V198 VanDerWaalsContact C-N 3.35Å; N196-V198 PolarHBondContact O-N 3.22Å; N196-L199 PolarHBondContact O-N 2.66Å; N196-T200 PolarHBondContact O-N 3.39Å; N196-T200 PolarHBondContact O-OG1 3.06Å |
| 197 | A | 92 | Very high | 90.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.4 | -47.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y188 E193 Y194 T200 M201 I217 | Y188-A197 HydrophobicContact CD2-CB 4.45Å; E193-A197 PolarHBondContact O-N 3.23Å; E193-A197 VanDerWaalsContact O-N 3.16Å; Y194-A197 WeakPolarHBondContact O-CB 3.3Å; Y194-A197 PolarHBondContact O-N 2.95Å; A197-T200 PolarHBondContact O-N 3.25Å; A197-M201 WeakPolarHBondContact O-CG 3.23Å; A197-M201 PolarHBondContact O-N 3.09Å; A197-I217 HydrophobicContact CB-CD1 4.33Å; A197-I217 HydrophobicContact CB-CG2 4.2Å |
| 198 | V | 91.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.5 | -44.4 | 179 | 172.1 | 0 | 0 | 0 | 0 | 111 | Y194 N196 T200 M201 M202 F214 I217 I218 V221 L226 | Y194-V198 WeakPolarHBondContact O-CG2 3.46Å; Y194-V198 PolarHBondContact O-N 3.42Å; N196-V198 VanDerWaalsContact C-N 3.35Å; N196-V198 PolarHBondContact O-N 3.22Å; V198-T200 VanDerWaalsContact C-N 3.32Å; V198-T200 PolarHBondContact O-N 3.15Å; V198-M201 PolarHBondContact O-N 2.95Å; V198-M202 HydrophobicContact CG1-CG 4.33Å; V198-M202 HydrophobicContact CG1-SD 3.83Å; V198-M202 VanDerWaalsContact O-CG 3.27Å; V198-M202 WeakPolarHBondContact O-CG 3.5Å; V198-M202 PolarHBondContact O-N 3.47Å; V198-F214 HydrophobicContact CG1-CE2 3.93Å; V198-F214 HydrophobicContact CG1-CZ 3.84Å; V198-I217 HydrophobicContact CG2-CG2 3.55Å; V198-I218 HydrophobicContact CG1-CD1 3.9Å; V198-I218 HydrophobicContact CG2-CD1 3.96Å; V198-V221 HydrophobicContact CG2-CG2 3.87Å; V198-L226 HydrophobicContact CG1-CD2 4.31Å |
| 199 | L | 91.9 | Very high | 89.5 | Confident | 68 Ų | 68 | 54.4 Ų | 54.4 | 36% | 0.356 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 177.1 | -75.4 | 171.8 | 0 | 0 | 0 | 111.9 | D195 N196 M202 S203 L226 | D195-L199 WeakPolarHBondContact O-CG 3.16Å; D195-L199 PolarHBondContact O-N 3.45Å; D195-L199 VanDerWaalsContact O-N 3.16Å; N196-L199 PolarHBondContact O-N 2.66Å; L199-M202 PolarHBondContact O-N 3.05Å; L199-S203 PolarHBondContact O-N 3.4Å; L199-S203 PolarHBondContact O-OG 2.84Å; L199-L226 HydrophobicContact CD1-CD2 4.45Å; L199-L226 HydrophobicContact CD2-CD2 3.53Å; L199-L226 HydrophobicContact CG-CD2 3.68Å |
| 200 | T | 90.5 | Very high | 89.3 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 9% | 0.086 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.6 | -41.8 | 177.2 | -54 | 0 | 0 | 0 | 0 | 112.1 | W181 L184 V185 N196 A197 V198 M202 S203 H204 | W181-T200 HydrophobicContact CB-CG2 4.18Å; W181-T200 HydrophobicContact CD2-CG2 4.2Å; W181-T200 HydrophobicContact CE3-CG2 3.47Å; W181-T200 VanDerWaalsContact CE3-CG2 3.47Å; W181-T200 HydrophobicContact CZ3-CG2 4.21Å; L184-T200 HydrophobicContact CD2-CG2 4.2Å; V185-T200 HydrophobicContact CG2-CG2 3.72Å; N196-T200 PolarHBondContact O-N 3.39Å; N196-T200 PolarHBondContact O-OG1 3.06Å; A197-T200 PolarHBondContact O-N 3.25Å; V198-T200 VanDerWaalsContact C-N 3.32Å; V198-T200 PolarHBondContact O-N 3.15Å; T200-M202 VanDerWaalsContact C-N 3.25Å; T200-M202 PolarHBondContact O-N 2.96Å; T200-S203 PolarHBondContact O-N 3.21Å; T200-S203 PolarHBondContact O-OG 3.23Å; T200-H204 PolarHBondContact O-N 3.22Å |
| 201 | M | 90.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.2 | -32.6 | 175.4 | -72.4 | -175.5 | 173.2 | 0 | 0 | 112.4 | V185 A197 V198 A208 Q213 F214 I217 | V185-M201 HydrophobicContact CG1-CE 3.25Å; V185-M201 HydrophobicContact CG1-CG 4.05Å; V185-M201 HydrophobicContact CG1-SD 4.38Å; V185-M201 HydrophobicContact CG2-CG 4Å; A197-M201 WeakPolarHBondContact O-CG 3.23Å; A197-M201 PolarHBondContact O-N 3.09Å; V198-M201 PolarHBondContact O-N 2.95Å; M201-A208 HydrophobicContact CG-CB 4.21Å; M201-Q213 HydrophobicContact CE-CB 4.21Å; M201-Q213 HydrophobicContact CE-CG 3.81Å; M201-F214 HydrophobicContact CB-CD2 4.06Å; M201-F214 HydrophobicContact CB-CE2 4.22Å; M201-F214 HydrophobicContact SD-CB 4.06Å; M201-F214 HydrophobicContact SD-CD2 3.52Å; M201-F214 VanDerWaalsContact SD-CD2 3.52Å; M201-F214 HydrophobicContact SD-CE2 4.39Å; M201-F214 HydrophobicContact SD-CG 4.23Å; M201-I217 HydrophobicContact CE-CD1 3.67Å |
| 202 | M | 89.2 | Confident | 88.6 | Confident | 35 Ų | 35 | 55.7 Ų | 55.7 | 17% | 0.172 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76.9 | -38.6 | 178.6 | -70.7 | 176.7 | 60.5 | 0 | 0 | 112.8 | V198 L199 T200 F214 R229 A230 F233 | V198-M202 HydrophobicContact CG1-CG 4.33Å; V198-M202 HydrophobicContact CG1-SD 3.83Å; V198-M202 VanDerWaalsContact O-CG 3.27Å; V198-M202 WeakPolarHBondContact O-CG 3.5Å; V198-M202 PolarHBondContact O-N 3.47Å; L199-M202 PolarHBondContact O-N 3.05Å; T200-M202 VanDerWaalsContact C-N 3.25Å; T200-M202 PolarHBondContact O-N 2.96Å; M202-F214 HydrophobicContact CG-CE2 4.3Å; M202-R229 HydrophobicContact CE-CB 3.8Å; M202-R229 WeakPolarHBondContact CE-O 3.47Å; M202-A230 HydrophobicContact SD-CB 4.29Å; M202-F233 HydrophobicContact CE-CB 3.9Å; M202-F233 HydrophobicContact CG-CB 4.49Å; M202-F233 HydrophobicContact CG-CD1 4.38Å; M202-F233 HydrophobicContact CG-CG 4.28Å |
| 203 | S | 89.3 | Confident | 88.5 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 50% | 0.503 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -76.8 | -27.6 | 177.7 | 64.1 | 0 | 0 | 0 | 0 | 112.7 | L199 T200 P205 | L199-S203 PolarHBondContact O-N 3.4Å; L199-S203 PolarHBondContact O-OG 2.84Å; T200-S203 PolarHBondContact O-N 3.21Å; T200-S203 PolarHBondContact O-OG 3.23Å; S203-P205 VanDerWaalsContact C-CD 3.48Å; S203-P205 WeakPolarHBondContact O-CD 3.08Å |
| 204 | H | 88.8 | Confident | 88.5 | Confident | 57 Ų | 57 | 47.9 Ų | 47.9 | 26% | 0.264 | 26% | 0.259 | S | S | . | . | trans | -125.8 | 69.7 | 179.9 | -54.8 | -65.5 | 0 | 0 | 0 | 113.2 | W181 T200 T206 A208 | W181-H204 HydrophobicContact CB-CB 4.23Å; W181-H204 AromaticContact CD1-CG 3.65Å; W181-H204 HydrophobicContact CD2-CB 4.35Å; W181-H204 AromaticContact CD2-CD2 3.3Å; W181-H204 AromaticContact CD2-CG 3.72Å; W181-H204 AromaticContact CD2-NE2 3.82Å; W181-H204 AromaticContact CE2-CD2 3.37Å; W181-H204 AromaticContact CE2-CE1 3.63Å; W181-H204 AromaticContact CE2-CG 3.65Å; W181-H204 AromaticContact CE2-ND1 3.79Å; W181-H204 AromaticContact CE2-NE2 3.43Å; W181-H204 AromaticContact CE3-CD2 3.62Å; W181-H204 HydrophobicContact CG-CB 3.87Å; W181-H204 AromaticContact CG-CD2 3.78Å; W181-H204 AromaticContact CG-CG 3.73Å; W181-H204 AromaticContact CH2-CD2 3.99Å; W181-H204 AromaticContact CH2-NE2 3.53Å; W181-H204 AromaticContact CZ2-CD2 3.74Å; W181-H204 AromaticContact CZ2-CE1 3.58Å; W181-H204 AromaticContact CZ2-NE2 3.29Å; W181-H204 VanDerWaalsContact CZ2-NE2 3.29Å; W181-H204 WeakPolarHBondContact CZ2-NE2 3.43Å; W181-H204 AromaticContact CZ3-CD2 3.94Å; W181-H204 AromaticContact CZ3-NE2 3.9Å; W181-H204 AromaticContact NE1-CD2 3.84Å; W181-H204 AromaticContact NE1-CE1 3.84Å; W181-H204 AromaticContact NE1-CG 3.61Å; W181-H204 AromaticContact NE1-ND1 3.6Å; T200-H204 PolarHBondContact O-N 3.22Å; H204-T206 VanDerWaalsContact C-N 3.32Å; H204-T206 PolarHBondContact O-N 2.78Å; H204-A208 PolarHBondContact O-N 3.27Å | ||
| 205 | P | 86.1 | Confident | 88.3 | Confident | 44 Ų | 44 | 47.5 Ų | 47.5 | 29% | 0.286 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -28.9 | -174.5 | -28.4 | 39.7 | 0 | 0 | 0 | 115.9 | S203 W209 F233 | S203-P205 VanDerWaalsContact C-CD 3.48Å; S203-P205 WeakPolarHBondContact O-CD 3.08Å; P205-W209 WeakPolarHBondContact O-CB 2.95Å; P205-F233 HydrophobicContact CB-CE2 4.09Å; P205-F233 HydrophobicContact CB-CZ 3.77Å; P205-F233 HydrophobicContact CG-CE2 3.37Å; P205-F233 HydrophobicContact CG-CZ 3.55Å |
| 206 | T | 84.2 | Confident | 88.3 | Confident | 133 Ų | 133 | 50 Ų | 50 | 82% | 0.816 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -30.7 | -171.8 | 44.4 | 0 | 0 | 0 | 0 | 113.2 | H204 | H204-T206 VanDerWaalsContact C-N 3.32Å; H204-T206 PolarHBondContact O-N 2.78Å |
| 207 | E | 83.1 | Confident | 88.3 | Confident | 119 Ų | 119 | 47.2 Ų | 47.2 | 56% | 0.556 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.3 | -40.2 | -170 | -65.7 | 177.2 | -167.4 | 0 | 0 | 112.2 | W181 | W181-E207 VanDerWaalsContact CD1-OE2 3.29Š|
| 208 | A | 82.4 | Confident | 88.2 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -28.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | W181 V185 M201 H204 K210 | W181-A208 HydrophobicContact CB-CB 4.03Å; V185-A208 HydrophobicContact CG2-CB 3.9Å; M201-A208 HydrophobicContact CG-CB 4.21Å; H204-A208 PolarHBondContact O-N 3.27Å; A208-K210 PolarHBondContact O-N 3.24Å |
| 209 | W | 87.9 | Confident | 88.1 | Confident | 37 Ų | 37 | 50 Ų | 50 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | trans | -75.8 | 123.5 | -169.3 | -174.8 | 91.7 | 0 | 0 | 0 | 111.6 | P205 E211 F214 F233 Y234 K238 L241 | P205-W209 WeakPolarHBondContact O-CB 2.95Å; W209-E211 HydrophobicContact CH2-CB 3.55Å; W209-E211 HydrophobicContact CH2-CG 3.95Å; W209-E211 HydrophobicContact CZ2-CB 4.07Å; W209-E211 HydrophobicContact CZ2-CG 4.24Å; W209-E211 HydrophobicContact CZ3-CB 4.04Å; W209-F214 AromaticContact CD1-CD2 3.86Å; W209-F214 AromaticContact NE1-CD2 3.98Å; W209-F233 AromaticContact CD1-CE1 3.99Å; W209-Y234 AromaticContact CZ2-CE1 3.91Å; W209-Y234 HydrophobicContact CZ2-CE1 3.91Å; W209-Y234 AromaticContact CZ2-CZ 3.9Å; W209-Y234 WeakPolarHBondContact CZ2-OH 3.34Å; W209-Y234 AromaticContact NE1-CE2 3.92Å; W209-Y234 AromaticContact NE1-CZ 3.54Å; W209-Y234 PolarHBondContact NE1-OH 3.36Å; W209-K238 HydrophobicContact CH2-CD 3.7Å; W209-K238 HydrophobicContact CZ2-CD 3.84Å; W209-K238 HydrophobicContact CZ3-CD 4.23Å; W209-L241 HydrophobicContact CH2-CD1 3.92Å; W209-L241 HydrophobicContact CZ2-CD1 4.38Å | ||
| 210 | K | 87.8 | Confident | 88 | Confident | 114 Ų | 114 | 51.8 Ų | 51.8 | 50% | 0.496 | 28% | 0.278 | S | S | . | . | trans | -129.8 | 130.7 | 167.6 | -65.3 | 180 | -174.4 | 171 | 0 | 108.6 | A208 G212 Q213 F214 | A208-K210 PolarHBondContact O-N 3.24Å; K210-G212 PolarHBondContact O-N 3.44Å; K210-Q213 HydrophobicContact CB-CB 4Å; K210-Q213 PolarHBondContact O-N 2.96Å; K210-F214 WeakPolarHBondContact O-CB 3.22Å; K210-F214 PolarHBondContact O-N 3.35Å | ||
| 211 | E | 82 | Confident | 87.9 | Confident | 69 Ų | 69 | 51.1 Ų | 51.1 | 32% | 0.322 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -57.5 | -55.2 | -169.8 | -169.8 | -169.5 | 145.5 | 0 | 0 | 113.3 | W209 F214 K215 L241 | W209-E211 HydrophobicContact CH2-CB 3.55Å; W209-E211 HydrophobicContact CH2-CG 3.95Å; W209-E211 HydrophobicContact CZ2-CB 4.07Å; W209-E211 HydrophobicContact CZ2-CG 4.24Å; W209-E211 HydrophobicContact CZ3-CB 4.04Å; E211-F214 PolarHBondContact O-N 3.35Å; E211-K215 HydrophobicContact CG-CD 4.44Å; E211-K215 WeakPolarHBondContact O-CG 3.38Å; E211-K215 PolarHBondContact O-N 3Å; E211-K215 VanDerWaalsContact O-N 3.13Å; E211-K215 IonicContact OE1-NZ 3.93Å; E211-K215 PolarHBondContact OE1-NZ 2.99Å; E211-L241 HydrophobicContact CG-CD1 4.35Å |
| 212 | G | 86.4 | Confident | 87.6 | Confident | 43 Ų | 43 | 55 Ų | 55 | 44% | 0.443 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | K210 F214 K215 D216 | K210-G212 PolarHBondContact O-N 3.44Å; G212-F214 VanDerWaalsContact C-N 3.33Å; G212-F214 PolarHBondContact O-N 2.73Å; G212-K215 PolarHBondContact O-N 2.92Å; G212-D216 PolarHBondContact O-N 3.25Å |
| 213 | Q | 88.8 | Confident | 87.5 | Confident | 47 Ų | 47 | 56.5 Ų | 56.5 | 22% | 0.22 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 179.6 | -167.2 | -178.5 | -2.1 | 0 | 0 | 111.9 | M201 K210 D216 I217 | M201-Q213 HydrophobicContact CE-CB 4.21Å; M201-Q213 HydrophobicContact CE-CG 3.81Å; K210-Q213 HydrophobicContact CB-CB 4Å; K210-Q213 PolarHBondContact O-N 2.96Å; Q213-D216 PolarHBondContact O-N 2.81Å; Q213-I217 HydrophobicContact CG-CD1 3.76Å; Q213-I217 HydrophobicContact CG-CG1 4.42Å; Q213-I217 WeakPolarHBondContact O-CB 3.47Å; Q213-I217 VanDerWaalsContact O-CG1 3.23Å; Q213-I217 WeakPolarHBondContact O-CG1 3.33Å; Q213-I217 PolarHBondContact O-N 3.21Å |
| 214 | F | 91.3 | Very high | 87.3 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 176.5 | -169.8 | -77.5 | 0 | 0 | 0 | 111.3 | V198 M201 M202 W209 K210 E211 G212 D216 I217 I218 A230 Y234 L245 | V198-F214 HydrophobicContact CG1-CE2 3.93Å; V198-F214 HydrophobicContact CG1-CZ 3.84Å; M201-F214 HydrophobicContact CB-CD2 4.06Å; M201-F214 HydrophobicContact CB-CE2 4.22Å; M201-F214 HydrophobicContact SD-CB 4.06Å; M201-F214 HydrophobicContact SD-CD2 3.52Å; M201-F214 VanDerWaalsContact SD-CD2 3.52Å; M201-F214 HydrophobicContact SD-CE2 4.39Å; M201-F214 HydrophobicContact SD-CG 4.23Å; M202-F214 HydrophobicContact CG-CE2 4.3Å; W209-F214 AromaticContact CD1-CD2 3.86Å; W209-F214 AromaticContact NE1-CD2 3.98Å; K210-F214 WeakPolarHBondContact O-CB 3.22Å; K210-F214 PolarHBondContact O-N 3.35Å; E211-F214 PolarHBondContact O-N 3.35Å; G212-F214 VanDerWaalsContact C-N 3.33Å; G212-F214 PolarHBondContact O-N 2.73Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 2.96Å; F214-I217 PolarHBondContact O-N 2.7Å; F214-I218 HydrophobicContact CD1-CB 4.42Å; F214-I218 HydrophobicContact CD1-CG2 4.47Å; F214-I218 HydrophobicContact CE1-CB 4.15Å; F214-I218 HydrophobicContact CE1-CD1 4.36Å; F214-I218 HydrophobicContact CE1-CG1 4.29Å; F214-I218 HydrophobicContact CE1-CG2 4.47Å; F214-I218 HydrophobicContact CZ-CD1 4.45Å; F214-I218 WeakPolarHBondContact O-CB 3.47Å; F214-I218 WeakPolarHBondContact O-CG2 3.14Å; F214-I218 PolarHBondContact O-N 3.44Å; F214-A230 HydrophobicContact CE1-CB 4.12Å; F214-A230 HydrophobicContact CZ-CB 3.77Å; F214-Y234 AromaticContact CD1-CE2 3.66Å; F214-Y234 HydrophobicContact CD1-CE2 3.66Å; F214-Y234 AromaticContact CD1-CZ 3.77Å; F214-Y234 WeakPolarHBondContact CD1-OH 3.28Å; F214-Y234 HydrophobicContact CD2-CE2 4.44Å; F214-Y234 HydrophobicContact CE1-CD2 4.38Å; F214-Y234 AromaticContact CE1-CE2 3.43Å; F214-Y234 HydrophobicContact CE1-CE2 3.43Å; F214-Y234 VanDerWaalsContact CE1-CE2 3.43Å; F214-Y234 HydrophobicContact CE2-CE2 4.27Å; F214-Y234 HydrophobicContact CG-CE2 4.19Å; F214-Y234 VanDerWaalsContact CG-OH 3.27Å; F214-Y234 WeakPolarHBondContact CG-OH 3.43Å; F214-Y234 AromaticContact CZ-CE2 3.77Å; F214-Y234 HydrophobicContact CZ-CE2 3.77Å; F214-L245 HydrophobicContact CD1-CD1 4.27Å; F214-L245 HydrophobicContact CE1-CD1 4.2Å |
| 215 | K | 88.9 | Confident | 87.2 | Confident | 29 Ų | 29 | 57.1 Ų | 57.1 | 13% | 0.126 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.4 | -39.1 | 178 | -73.6 | 172.6 | 173.5 | 173 | 0 | 111.6 | E211 G212 I218 T219 D244 | E211-K215 HydrophobicContact CG-CD 4.44Å; E211-K215 WeakPolarHBondContact O-CG 3.38Å; E211-K215 PolarHBondContact O-N 3Å; E211-K215 VanDerWaalsContact O-N 3.13Å; E211-K215 IonicContact OE1-NZ 3.93Å; E211-K215 PolarHBondContact OE1-NZ 2.99Å; G212-K215 PolarHBondContact O-N 2.92Å; K215-I218 WeakPolarHBondContact O-CG2 3.35Å; K215-T219 WeakPolarHBondContact O-CG2 3.44Å; K215-D244 IonicContact NZ-OD2 2.66Å; K215-D244 PolarHBondContact NZ-OD2 3.06Å; K215-D244 VanDerWaalsContact NZ-OD2 3.12Å |
| 216 | D | 90.3 | Very high | 87.4 | Confident | 106 Ų | 106 | 55.5 Ų | 55.5 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -72 | -43.8 | 178.6 | -66.1 | -24.8 | 0 | 0 | 0 | 112.1 | G212 Q213 F214 T219 | G212-D216 PolarHBondContact O-N 3.25Å; Q213-D216 PolarHBondContact O-N 2.81Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 2.96Å; D216-T219 PolarHBondContact O-OG1 3.42Å |
| 217 | I | 91.2 | Very high | 87.5 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.4 | -45.8 | -178.3 | -68.8 | 171.8 | 0 | 0 | 0 | 111.1 | D189 Y194 A197 V198 M201 Q213 F214 T219 K220 V221 | D189-I217 HydrophobicContact CB-CD1 4.41Å; Y194-I217 HydrophobicContact CD1-CG2 3.98Å; Y194-I217 HydrophobicContact CG-CG2 4.36Å; A197-I217 HydrophobicContact CB-CD1 4.33Å; A197-I217 HydrophobicContact CB-CG2 4.2Å; V198-I217 HydrophobicContact CG2-CG2 3.55Å; M201-I217 HydrophobicContact CE-CD1 3.67Å; Q213-I217 HydrophobicContact CG-CD1 3.76Å; Q213-I217 HydrophobicContact CG-CG1 4.42Å; Q213-I217 WeakPolarHBondContact O-CB 3.47Å; Q213-I217 VanDerWaalsContact O-CG1 3.23Å; Q213-I217 WeakPolarHBondContact O-CG1 3.33Å; Q213-I217 PolarHBondContact O-N 3.21Å; F214-I217 PolarHBondContact O-N 2.7Å; I217-T219 PolarHBondContact O-N 3.43Å; I217-T219 VanDerWaalsContact O-N 3.16Å; I217-K220 PolarHBondContact O-N 3.28Å; I217-V221 PolarHBondContact O-N 3.43Å |
| 218 | I | 89.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.8 | -26.9 | -174.3 | -162.8 | 70 | 0 | 0 | 0 | 112.7 | V198 F214 K215 K220 V221 A230 L245 L249 | V198-I218 HydrophobicContact CG1-CD1 3.9Å; V198-I218 HydrophobicContact CG2-CD1 3.96Å; F214-I218 HydrophobicContact CD1-CB 4.42Å; F214-I218 HydrophobicContact CD1-CG2 4.47Å; F214-I218 HydrophobicContact CE1-CB 4.15Å; F214-I218 HydrophobicContact CE1-CD1 4.36Å; F214-I218 HydrophobicContact CE1-CG1 4.29Å; F214-I218 HydrophobicContact CE1-CG2 4.47Å; F214-I218 HydrophobicContact CZ-CD1 4.45Å; F214-I218 WeakPolarHBondContact O-CB 3.47Å; F214-I218 WeakPolarHBondContact O-CG2 3.14Å; F214-I218 PolarHBondContact O-N 3.44Å; K215-I218 WeakPolarHBondContact O-CG2 3.35Å; I218-K220 PolarHBondContact O-N 3.47Å; I218-V221 HydrophobicContact CD1-CG2 4.37Å; I218-A230 HydrophobicContact CD1-CB 4.24Å; I218-L245 HydrophobicContact CG2-CD1 3.96Å; I218-L249 HydrophobicContact CB-CD2 4.48Å; I218-L249 HydrophobicContact CG1-CD1 4.4Å; I218-L249 HydrophobicContact CG1-CD2 3.91Å; I218-L249 HydrophobicContact CG2-CD2 3.89Å; I218-L249 HydrophobicContact CG2-CG 4.45Å |
| 219 | T | 89.9 | Confident | 88 | Confident | 58 Ų | 58 | 50.8 Ų | 50.8 | 36% | 0.356 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.5 | -28 | 176 | 61.9 | 0 | 0 | 0 | 0 | 113.2 | K215 D216 I217 V248 R252 | K215-T219 WeakPolarHBondContact O-CG2 3.44Å; D216-T219 PolarHBondContact O-OG1 3.42Å; I217-T219 PolarHBondContact O-N 3.43Å; I217-T219 VanDerWaalsContact O-N 3.16Å; T219-V248 HydrophobicContact CG2-CG1 3.12Å; T219-R252 PolarHBondContact O-NH1 3.44Å |
| 220 | K | 89.1 | Confident | 88.1 | Confident | 107 Ų | 107 | 49 Ų | 49 | 47% | 0.465 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -91.3 | -18.3 | -176.1 | -56.7 | 179.3 | -174.1 | 172.1 | 0 | 113.6 | Y194 I217 I218 A222 | Y194-K220 HydrophobicContact CD1-CB 4.39Å; Y194-K220 HydrophobicContact CD1-CD 4.2Å; Y194-K220 HydrophobicContact CD2-CB 3.62Å; Y194-K220 HydrophobicContact CD2-CD 4.33Å; Y194-K220 HydrophobicContact CE1-CB 4.47Å; Y194-K220 HydrophobicContact CE1-CD 3.58Å; Y194-K220 HydrophobicContact CE2-CB 3.74Å; Y194-K220 HydrophobicContact CE2-CD 3.75Å; Y194-K220 HydrophobicContact CE2-CG 4.42Å; Y194-K220 HydrophobicContact CG-CB 3.96Å; Y194-K220 WeakPolarHBondContact OH-CD 3.22Å; Y194-K220 PolarHBondContact OH-NZ 2.97Å; I217-K220 PolarHBondContact O-N 3.28Å; I218-K220 PolarHBondContact O-N 3.47Å; K220-A222 PolarHBondContact O-N 2.91Å |
| 221 | V | 88.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.234 | C | C | . | . | trans | -59.2 | 127.7 | 178.9 | 163.8 | 0 | 0 | 0 | 0 | 110.8 | D195 V198 I217 I218 N223 L226 R252 | D195-V221 WeakPolarHBondContact OD1-CG1 3.36Å; V198-V221 HydrophobicContact CG2-CG2 3.87Å; I217-V221 PolarHBondContact O-N 3.43Å; I218-V221 HydrophobicContact CD1-CG2 4.37Å; V221-N223 HydrophobicContact CG1-CB 4.39Å; V221-N223 WeakPolarHBondContact CG1-O 3.49Å; V221-L226 HydrophobicContact CG1-CB 4.01Å; V221-L226 HydrophobicContact CG1-CD1 3.99Å; V221-R252 PolarHBondContact O-NH1 3.44Å; V221-R252 PolarHBondContact O-NH2 3.27Å | ||
| 222 | A | 84.4 | Confident | 88.4 | Confident | 81 Ų | 81 | 45.1 Ų | 45.1 | 67% | 0.669 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -75.1 | -35.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K220 V224 R252 | K220-A222 PolarHBondContact O-N 2.91Å; A222-V224 PolarHBondContact O-N 3.33Å; A222-R252 PolarHBondContact O-NH2 2.91Å |
| 223 | N | 86.9 | Confident | 88.6 | Confident | 66 Ų | 66 | 43.8 Ų | 43.8 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | trans | -78.3 | 115.9 | -174 | -174.7 | -3.7 | 0 | 0 | 0 | 112.7 | V221 E225 L226 | V221-N223 HydrophobicContact CG1-CB 4.39Å; V221-N223 WeakPolarHBondContact CG1-O 3.49Å; N223-E225 VanDerWaalsContact C-N 3.31Å; N223-E225 PolarHBondContact O-N 3Å; N223-E225 VanDerWaalsContact OD1-CB 3.26Å; N223-E225 WeakPolarHBondContact OD1-CB 3.36Å; N223-E225 PolarHBondContact OD1-N 3.09Å; N223-L226 HydrophobicContact CB-CD1 4.17Å; N223-L226 PolarHBondContact O-N 3.37Å | ||
| 224 | V | 85.1 | Confident | 88.5 | Confident | 47 Ų | 47 | 41.6 Ų | 41.6 | 29% | 0.285 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -70.2 | -26.3 | 179.5 | -172.6 | 0 | 0 | 0 | 0 | 112.4 | A222 L226 C227 Y228 | A222-V224 PolarHBondContact O-N 3.33Å; V224-L226 PolarHBondContact O-N 3.28Å; V224-C227 VanDerWaalsContact O-CB 3.28Å; V224-C227 WeakPolarHBondContact O-CB 3.35Å; V224-C227 PolarHBondContact O-N 3.12Å; V224-Y228 HydrophobicContact CG1-CD2 4.48Å; V224-Y228 HydrophobicContact CG1-CE1 4.5Å; V224-Y228 HydrophobicContact CG1-CE2 3.77Å; V224-Y228 PolarHBondContact O-N 3.49Å |
| 225 | E | 87.6 | Confident | 88.4 | Confident | 96 Ų | 96 | 42.2 Ų | 42.2 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.1 | -35.3 | 177.9 | -163.7 | -163.9 | 154.6 | 0 | 0 | 111.6 | N223 C227 Y228 R229 | N223-E225 VanDerWaalsContact C-N 3.31Å; N223-E225 PolarHBondContact O-N 3Å; N223-E225 VanDerWaalsContact OD1-CB 3.26Å; N223-E225 WeakPolarHBondContact OD1-CB 3.36Å; N223-E225 PolarHBondContact OD1-N 3.09Å; E225-C227 VanDerWaalsContact C-N 3.29Å; E225-C227 PolarHBondContact O-N 3.28Å; E225-Y228 PolarHBondContact O-N 3.38Å; E225-Y228 VanDerWaalsContact O-N 3.16Å; E225-R229 WeakPolarHBondContact O-CG 3.33Å; E225-R229 PolarHBondContact O-N 2.87Å; E225-R229 IonicContact OE1-CZ 2.8Å; E225-R229 VanDerWaalsContact OE1-CZ 3.29Å; E225-R229 IonicContact OE1-NE 3.31Å; E225-R229 PolarHBondContact OE1-NE 3.04Å; E225-R229 VanDerWaalsContact OE1-NE 3.13Å; E225-R229 IonicContact OE1-NH2 3.65Å; E225-R229 PolarHBondContact OE1-NH2 3.24Å |
| 226 | L | 88.7 | Confident | 88.3 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 5% | 0.047 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.5 | -36.6 | 174.8 | -89.1 | 164.5 | 0 | 0 | 0 | 111.9 | D195 V198 L199 V221 N223 V224 Y228 R229 A230 | D195-L226 HydrophobicContact CB-CD1 3.68Å; V198-L226 HydrophobicContact CG1-CD2 4.31Å; L199-L226 HydrophobicContact CD1-CD2 4.45Å; L199-L226 HydrophobicContact CD2-CD2 3.53Å; L199-L226 HydrophobicContact CG-CD2 3.68Å; V221-L226 HydrophobicContact CG1-CB 4.01Å; V221-L226 HydrophobicContact CG1-CD1 3.99Å; N223-L226 HydrophobicContact CB-CD1 4.17Å; N223-L226 PolarHBondContact O-N 3.37Å; V224-L226 PolarHBondContact O-N 3.28Å; L226-Y228 VanDerWaalsContact C-N 3.33Å; L226-Y228 PolarHBondContact O-N 2.85Å; L226-R229 PolarHBondContact O-N 3.33Å; L226-A230 VanDerWaalsContact O-CB 3.25Å; L226-A230 WeakPolarHBondContact O-CB 3.5Å; L226-A230 PolarHBondContact O-N 3.24Å |
| 227 | C | 86.4 | Confident | 88 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.014 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.7 | -42.5 | 173.8 | -59.9 | 0 | 0 | 0 | 0 | 111.2 | V224 E225 A230 L231 L249 L253 | V224-C227 VanDerWaalsContact O-CB 3.28Å; V224-C227 WeakPolarHBondContact O-CB 3.35Å; V224-C227 PolarHBondContact O-N 3.12Å; E225-C227 VanDerWaalsContact C-N 3.29Å; E225-C227 PolarHBondContact O-N 3.28Å; C227-A230 WeakPolarHBondContact O-CB 3.5Å; C227-A230 PolarHBondContact O-N 3.14Å; C227-L231 WeakPolarHBondContact O-CG 3.19Å; C227-L231 PolarHBondContact O-N 3.02Å; C227-L249 HydrophobicContact CB-CD1 4.36Å; C227-L253 HydrophobicContact CB-CD2 4.25Å |
| 228 | Y | 87.6 | Confident | 87.7 | Confident | 32 Ų | 32 | 51.9 Ų | 51.9 | 13% | 0.125 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 178 | -61.6 | -40.2 | 0 | 0 | 0 | 112.6 | V224 E225 L226 A230 L231 Q232 L253 D254 W257 | V224-Y228 HydrophobicContact CG1-CD2 4.48Å; V224-Y228 HydrophobicContact CG1-CE1 4.5Å; V224-Y228 HydrophobicContact CG1-CE2 3.77Å; V224-Y228 PolarHBondContact O-N 3.49Å; E225-Y228 PolarHBondContact O-N 3.38Å; E225-Y228 VanDerWaalsContact O-N 3.16Å; L226-Y228 VanDerWaalsContact C-N 3.33Å; L226-Y228 PolarHBondContact O-N 2.85Å; Y228-A230 VanDerWaalsContact C-N 3.33Å; Y228-L231 HydrophobicContact CD1-CD1 4.42Å; Y228-L231 PolarHBondContact O-N 3.37Å; Y228-Q232 PolarHBondContact O-N 2.99Å; Y228-Q232 VanDerWaalsContact O-N 3.15Å; Y228-L253 HydrophobicContact CD1-CD2 4.06Å; Y228-L253 HydrophobicContact CE1-CD2 3.66Å; Y228-D254 WeakPolarHBondContact OH-CB 3.4Å; Y228-D254 PolarHBondContact OH-N 3.29Å; Y228-D254 PolarHBondContact OH-OD2 3.47Å; Y228-W257 AromaticContact CD1-CD2 3.97Å; Y228-W257 HydrophobicContact CD1-CD2 3.97Å; Y228-W257 AromaticContact CD1-CE3 3.24Å; Y228-W257 HydrophobicContact CD1-CE3 3.24Å; Y228-W257 AromaticContact CD1-CH2 3.66Å; Y228-W257 HydrophobicContact CD1-CH2 3.66Å; Y228-W257 HydrophobicContact CD1-CZ2 4.29Å; Y228-W257 AromaticContact CD1-CZ3 3.08Å; Y228-W257 HydrophobicContact CD1-CZ3 3.08Å; Y228-W257 AromaticContact CE1-CD2 3.85Å; Y228-W257 HydrophobicContact CE1-CD2 3.85Å; Y228-W257 AromaticContact CE1-CE3 3.27Å; Y228-W257 HydrophobicContact CE1-CE3 3.27Å; Y228-W257 HydrophobicContact CE1-CG 4.49Å; Y228-W257 HydrophobicContact CE1-CH2 4.49Å; Y228-W257 AromaticContact CE1-CZ3 3.68Å; Y228-W257 HydrophobicContact CE1-CZ3 3.68Å; Y228-W257 HydrophobicContact CE2-CD2 4.49Å; Y228-W257 HydrophobicContact CG-CD2 4.35Å; Y228-W257 AromaticContact CG-CE3 3.96Å; Y228-W257 HydrophobicContact CG-CE3 3.96Å; Y228-W257 AromaticContact CG-CH2 3.69Å; Y228-W257 HydrophobicContact CG-CH2 3.69Å; Y228-W257 HydrophobicContact CG-CZ2 4.05Å; Y228-W257 AromaticContact CG-CZ3 3.64Å; Y228-W257 HydrophobicContact CG-CZ3 3.64Å |
| 229 | R | 88.9 | Confident | 87.4 | Confident | 123 Ų | 123 | 54.2 Ų | 54.2 | 46% | 0.464 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.8 | -38.5 | 173.3 | -64.2 | -176.8 | -175.9 | -169.6 | 2.5 | 111.6 | M202 E225 L226 L231 Q232 F233 | M202-R229 HydrophobicContact CE-CB 3.8Å; M202-R229 WeakPolarHBondContact CE-O 3.47Å; E225-R229 WeakPolarHBondContact O-CG 3.33Å; E225-R229 PolarHBondContact O-N 2.87Å; E225-R229 IonicContact OE1-CZ 2.8Å; E225-R229 VanDerWaalsContact OE1-CZ 3.29Å; E225-R229 IonicContact OE1-NE 3.31Å; E225-R229 PolarHBondContact OE1-NE 3.04Å; E225-R229 VanDerWaalsContact OE1-NE 3.13Å; E225-R229 IonicContact OE1-NH2 3.65Å; E225-R229 PolarHBondContact OE1-NH2 3.24Å; L226-R229 PolarHBondContact O-N 3.33Å; R229-L231 VanDerWaalsContact C-N 3.35Å; R229-Q232 WeakPolarHBondContact O-CB 3.49Å; R229-Q232 PolarHBondContact O-N 3.25Å; R229-F233 PolarHBondContact O-N 3.37Å |
| 230 | A | 90.1 | Very high | 87.3 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -62.7 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | M202 F214 I218 L226 C227 Y228 Q232 F233 Y234 | M202-A230 HydrophobicContact SD-CB 4.29Å; F214-A230 HydrophobicContact CE1-CB 4.12Å; F214-A230 HydrophobicContact CZ-CB 3.77Å; I218-A230 HydrophobicContact CD1-CB 4.24Å; L226-A230 VanDerWaalsContact O-CB 3.25Å; L226-A230 WeakPolarHBondContact O-CB 3.5Å; L226-A230 PolarHBondContact O-N 3.24Å; C227-A230 WeakPolarHBondContact O-CB 3.5Å; C227-A230 PolarHBondContact O-N 3.14Å; Y228-A230 VanDerWaalsContact C-N 3.33Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.49Å; A230-F233 WeakPolarHBondContact O-CB 3.38Å; A230-F233 PolarHBondContact O-N 3.42Å; A230-Y234 WeakPolarHBondContact O-CD2 3.37Å; A230-Y234 PolarHBondContact O-N 3.42Å |
| 231 | L | 87.4 | Confident | 87.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -42.3 | 174.6 | -72.1 | 175.7 | 0 | 0 | 0 | 112 | C227 Y228 R229 Y234 L235 I242 L245 L246 L253 | C227-L231 WeakPolarHBondContact O-CG 3.19Å; C227-L231 PolarHBondContact O-N 3.02Å; Y228-L231 HydrophobicContact CD1-CD1 4.42Å; Y228-L231 PolarHBondContact O-N 3.37Å; R229-L231 VanDerWaalsContact C-N 3.35Å; L231-Y234 PolarHBondContact O-N 3.01Å; L231-L235 VanDerWaalsContact O-CB 3.31Å; L231-L235 WeakPolarHBondContact O-CB 2.75Å; L231-L235 PolarHBondContact O-N 3.47Å; L231-I242 HydrophobicContact CD2-CG1 4.29Å; L231-L245 HydrophobicContact CD2-CD2 4.12Å; L231-L246 HydrophobicContact CD1-CD2 4.05Å; L231-L246 HydrophobicContact CD2-CD2 3.48Å; L231-L246 VanDerWaalsContact CD2-CD2 3.48Å; L231-L246 HydrophobicContact CD2-CG 3.96Å; L231-L246 HydrophobicContact CG-CD2 4.44Å; L231-L253 HydrophobicContact CD1-CD1 4.44Å; L231-L253 HydrophobicContact CD1-CD2 4.06Å |
| 232 | Q | 89.1 | Confident | 87.1 | Confident | 101 Ų | 101 | 55.6 Ų | 55.6 | 47% | 0.472 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.8 | -45.9 | 174.3 | -176.6 | 176 | -5.9 | 0 | 0 | 111.4 | Y228 R229 A230 Y234 L235 D236 F261 | Y228-Q232 PolarHBondContact O-N 2.99Å; Y228-Q232 VanDerWaalsContact O-N 3.15Å; R229-Q232 WeakPolarHBondContact O-CB 3.49Å; R229-Q232 PolarHBondContact O-N 3.25Å; A230-Q232 VanDerWaalsContact C-N 3.32Å; A230-Q232 PolarHBondContact O-N 3.49Å; Q232-Y234 PolarHBondContact O-N 3.13Å; Q232-L235 WeakPolarHBondContact O-CB 3.14Å; Q232-L235 PolarHBondContact O-N 2.89Å; Q232-D236 WeakPolarHBondContact O-CB 3.28Å; Q232-D236 VanDerWaalsContact O-CG 3.26Å; Q232-D236 PolarHBondContact O-N 3.06Å; Q232-F261 HydrophobicContact CB-CZ 4.06Å; Q232-F261 HydrophobicContact CG-CZ 4.45Å |
| 233 | F | 89.6 | Confident | 87.3 | Confident | 14 Ų | 14 | 52.8 Ų | 52.8 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.9 | -44.4 | 176.8 | 171.2 | -98.7 | 0 | 0 | 0 | 113 | M202 P205 W209 R229 A230 L235 D236 Y237 | M202-F233 HydrophobicContact CE-CB 3.9Å; M202-F233 HydrophobicContact CG-CB 4.49Å; M202-F233 HydrophobicContact CG-CD1 4.38Å; M202-F233 HydrophobicContact CG-CG 4.28Å; P205-F233 HydrophobicContact CB-CE2 4.09Å; P205-F233 HydrophobicContact CB-CZ 3.77Å; P205-F233 HydrophobicContact CG-CE2 3.37Å; P205-F233 HydrophobicContact CG-CZ 3.55Å; W209-F233 AromaticContact CD1-CE1 3.99Å; R229-F233 PolarHBondContact O-N 3.37Å; A230-F233 WeakPolarHBondContact O-CB 3.38Å; A230-F233 PolarHBondContact O-N 3.42Å; F233-L235 VanDerWaalsContact C-N 3.33Å; F233-L235 PolarHBondContact O-N 3.19Å; F233-D236 PolarHBondContact O-N 3Å; F233-Y237 AromaticContact CD2-CD2 3.37Å; F233-Y237 HydrophobicContact CD2-CD2 3.37Å; F233-Y237 AromaticContact CD2-CE2 3.67Å; F233-Y237 HydrophobicContact CD2-CE2 3.67Å; F233-Y237 HydrophobicContact CD2-CG 4.42Å; F233-Y237 AromaticContact CE2-CD2 3.37Å; F233-Y237 HydrophobicContact CE2-CD2 3.37Å; F233-Y237 AromaticContact CE2-CE2 3.76Å; F233-Y237 HydrophobicContact CE2-CE2 3.76Å; F233-Y237 HydrophobicContact CE2-CG 4.06Å; F233-Y237 HydrophobicContact CG-CD2 4.24Å; F233-Y237 HydrophobicContact CZ-CD2 4.25Å; F233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F233-Y237 PolarHBondContact O-N 3.25Å |
| 234 | Y | 88.7 | Confident | 87.2 | Confident | 1 Ų | 1 | 52.9 Ų | 52.9 | 0% | 0.004 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.7 | -36.2 | 175.9 | -88 | -104.8 | 0 | 0 | 0 | 112 | W209 F214 A230 L231 Q232 K238 L241 L245 | W209-Y234 AromaticContact CZ2-CE1 3.91Å; W209-Y234 HydrophobicContact CZ2-CE1 3.91Å; W209-Y234 AromaticContact CZ2-CZ 3.9Å; W209-Y234 WeakPolarHBondContact CZ2-OH 3.34Å; W209-Y234 AromaticContact NE1-CE2 3.92Å; W209-Y234 AromaticContact NE1-CZ 3.54Å; W209-Y234 PolarHBondContact NE1-OH 3.36Å; F214-Y234 AromaticContact CD1-CE2 3.66Å; F214-Y234 HydrophobicContact CD1-CE2 3.66Å; F214-Y234 AromaticContact CD1-CZ 3.77Å; F214-Y234 WeakPolarHBondContact CD1-OH 3.28Å; F214-Y234 HydrophobicContact CD2-CE2 4.44Å; F214-Y234 HydrophobicContact CE1-CD2 4.38Å; F214-Y234 AromaticContact CE1-CE2 3.43Å; F214-Y234 HydrophobicContact CE1-CE2 3.43Å; F214-Y234 VanDerWaalsContact CE1-CE2 3.43Å; F214-Y234 HydrophobicContact CE2-CE2 4.27Å; F214-Y234 HydrophobicContact CG-CE2 4.19Å; F214-Y234 VanDerWaalsContact CG-OH 3.27Å; F214-Y234 WeakPolarHBondContact CG-OH 3.43Å; F214-Y234 AromaticContact CZ-CE2 3.77Å; F214-Y234 HydrophobicContact CZ-CE2 3.77Å; A230-Y234 WeakPolarHBondContact O-CD2 3.37Å; A230-Y234 PolarHBondContact O-N 3.42Å; L231-Y234 PolarHBondContact O-N 3.01Å; Q232-Y234 PolarHBondContact O-N 3.13Å; Y234-K238 CarbonylContact O-C 3.5Å; Y234-K238 VanDerWaalsContact O-CA 3.3Å; Y234-K238 WeakPolarHBondContact O-CA 3.48Å; Y234-K238 PolarHBondContact O-N 3.13Å; Y234-K238 VanDerWaalsContact O-O 3.08Å; Y234-L241 HydrophobicContact CD1-CB 4.38Å; Y234-L241 HydrophobicContact CE1-CB 4.4Å; Y234-L245 HydrophobicContact CD1-CD2 4.05Å; Y234-L245 HydrophobicContact CD2-CD2 3.55Å; Y234-L245 HydrophobicContact CE1-CD2 4.28Å; Y234-L245 HydrophobicContact CE2-CD2 3.82Å; Y234-L245 HydrophobicContact CG-CD2 3.67Å |
| 235 | L | 87.9 | Confident | 87.3 | Confident | 13 Ų | 13 | 50.7 Ų | 50.7 | 7% | 0.068 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.3 | -41.5 | 176.6 | -169.5 | 62 | 0 | 0 | 0 | 112 | L231 Q232 F233 I242 F261 F262 A265 Q267 L270 | L231-L235 VanDerWaalsContact O-CB 3.31Å; L231-L235 WeakPolarHBondContact O-CB 2.75Å; L231-L235 PolarHBondContact O-N 3.47Å; Q232-L235 WeakPolarHBondContact O-CB 3.14Å; Q232-L235 PolarHBondContact O-N 2.89Å; F233-L235 VanDerWaalsContact C-N 3.33Å; F233-L235 PolarHBondContact O-N 3.19Å; L235-I242 HydrophobicContact CB-CD1 4.05Å; L235-I242 HydrophobicContact CD1-CD1 4.07Å; L235-F261 HydrophobicContact CD2-CE1 3.75Å; L235-F261 HydrophobicContact CD2-CZ 4.03Å; L235-F262 HydrophobicContact CD1-CD1 4.4Å; L235-F262 HydrophobicContact CD1-CE1 3.96Å; L235-F262 HydrophobicContact CD2-CD1 4.3Å; L235-F262 HydrophobicContact CD2-CE1 4.13Å; L235-A265 HydrophobicContact CD2-CB 3.96Å; L235-Q267 HydrophobicContact CD1-CB 4.34Å; L235-L270 HydrophobicContact CD1-CD2 4.21Å |
| 236 | D | 87.2 | Confident | 87.3 | Confident | 103 Ų | 103 | 46.1 Ų | 46.1 | 55% | 0.551 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -73.8 | -40.5 | -177.2 | -67.9 | -20.2 | 0 | 0 | 0 | 112.2 | Q232 F233 | Q232-D236 WeakPolarHBondContact O-CB 3.28Å; Q232-D236 VanDerWaalsContact O-CG 3.26Å; Q232-D236 PolarHBondContact O-N 3.06Å; F233-D236 PolarHBondContact O-N 3Å |
| 237 | Y | 84 | Confident | 87.3 | Confident | 161 Ų | 161 | 49.8 Ų | 49.8 | 63% | 0.631 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -107.6 | -30.3 | -171.2 | -65.2 | -79.5 | 0 | 0 | 0 | 114.8 | F233 | F233-Y237 AromaticContact CD2-CD2 3.37Å; F233-Y237 HydrophobicContact CD2-CD2 3.37Å; F233-Y237 AromaticContact CD2-CE2 3.67Å; F233-Y237 HydrophobicContact CD2-CE2 3.67Å; F233-Y237 HydrophobicContact CD2-CG 4.42Å; F233-Y237 AromaticContact CE2-CD2 3.37Å; F233-Y237 HydrophobicContact CE2-CD2 3.37Å; F233-Y237 AromaticContact CE2-CE2 3.76Å; F233-Y237 HydrophobicContact CE2-CE2 3.76Å; F233-Y237 HydrophobicContact CE2-CG 4.06Å; F233-Y237 HydrophobicContact CG-CD2 4.24Å; F233-Y237 HydrophobicContact CZ-CD2 4.25Å; F233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F233-Y237 PolarHBondContact O-N 3.25Å |
| 238 | K | 85.1 | Confident | 87.4 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 33% | 0.33 | 26% | 0.255 | S | S | . | . | trans | -143.8 | 69.7 | -174.6 | -63 | -168.4 | -177.9 | -173.5 | 0 | 113.6 | W209 Y234 L240 L241 | W209-K238 HydrophobicContact CH2-CD 3.7Å; W209-K238 HydrophobicContact CZ2-CD 3.84Å; W209-K238 HydrophobicContact CZ3-CD 4.23Å; Y234-K238 CarbonylContact O-C 3.5Å; Y234-K238 VanDerWaalsContact O-CA 3.3Å; Y234-K238 WeakPolarHBondContact O-CA 3.48Å; Y234-K238 PolarHBondContact O-N 3.13Å; Y234-K238 VanDerWaalsContact O-O 3.08Å; K238-L240 VanDerWaalsContact C-N 3.32Å; K238-L240 PolarHBondContact O-N 3.38Å; K238-L241 HydrophobicContact CB-CD1 4.43Å; K238-L241 HydrophobicContact CD-CD1 4.03Å; K238-L241 PolarHBondContact O-N 3.38Å | ||
| 239 | P | 83.9 | Confident | 87.3 | Confident | 48 Ų | 48 | 51.2 Ų | 51.2 | 31% | 0.312 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -57.6 | -38.4 | -175.5 | -24.4 | 31.9 | 0 | 0 | 0 | 114.3 | L241 I242 L270 | P239-L241 VanDerWaalsContact C-N 3.27Å; P239-L241 PolarHBondContact O-N 3.14Å; P239-I242 WeakPolarHBondContact O-CB 3.11Å; P239-I242 WeakPolarHBondContact O-CG2 3.16Å; P239-I242 PolarHBondContact O-N 3.02Å; P239-L270 HydrophobicContact CB-CD2 3.77Å; P239-L270 WeakPolarHBondContact O-CD2 3.49Å |
| 240 | L | 86.4 | Confident | 87.1 | Confident | 150 Ų | 150 | 46.2 Ų | 46.2 | 79% | 0.785 | 23% | 0.233 | S | C | * | . | G | 310 helix | trans | -64.9 | -28.8 | -174 | -62.6 | 174.8 | 0 | 0 | 0 | 113.8 | K238 | K238-L240 VanDerWaalsContact C-N 3.32Å; K238-L240 PolarHBondContact O-N 3.38Å |
| 241 | L | 86.8 | Confident | 86.9 | Confident | 44 Ų | 44 | 51.8 Ų | 51.8 | 23% | 0.23 | 27% | 0.269 | C | S | . | . | G | 310 helix | trans | -90.2 | -2.4 | -175.7 | -61.5 | 176 | 0 | 0 | 0 | 113.1 | W209 E211 Y234 K238 P239 N243 D244 L245 | W209-L241 HydrophobicContact CH2-CD1 3.92Å; W209-L241 HydrophobicContact CZ2-CD1 4.38Å; E211-L241 HydrophobicContact CG-CD1 4.35Å; Y234-L241 HydrophobicContact CD1-CB 4.38Å; Y234-L241 HydrophobicContact CE1-CB 4.4Å; K238-L241 HydrophobicContact CB-CD1 4.43Å; K238-L241 HydrophobicContact CD-CD1 4.03Å; K238-L241 PolarHBondContact O-N 3.38Å; P239-L241 VanDerWaalsContact C-N 3.27Å; P239-L241 PolarHBondContact O-N 3.14Å; L241-N243 VanDerWaalsContact C-N 3.31Å; L241-N243 PolarHBondContact O-N 3.15Å; L241-D244 PolarHBondContact O-N 3.44Å; L241-L245 PolarHBondContact O-N 2.9Å |
| 242 | I | 88.5 | Confident | 86.6 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.3 | -32.6 | -173.5 | -157.8 | 163.5 | 0 | 0 | 0 | 112.6 | L231 L235 P239 D244 L245 L246 F262 L270 V271 | L231-I242 HydrophobicContact CD2-CG1 4.29Å; L235-I242 HydrophobicContact CB-CD1 4.05Å; L235-I242 HydrophobicContact CD1-CD1 4.07Å; P239-I242 WeakPolarHBondContact O-CB 3.11Å; P239-I242 WeakPolarHBondContact O-CG2 3.16Å; P239-I242 PolarHBondContact O-N 3.02Å; I242-D244 PolarHBondContact O-N 2.85Å; I242-L245 PolarHBondContact O-N 3.2Å; I242-L246 HydrophobicContact CG1-CD1 4.21Å; I242-L246 HydrophobicContact CG1-CG 4.39Å; I242-L246 WeakPolarHBondContact O-CB 3.25Å; I242-L246 VanDerWaalsContact O-CG 3.28Å; I242-L246 WeakPolarHBondContact O-CG 3.42Å; I242-L246 PolarHBondContact O-N 3.09Å; I242-F262 HydrophobicContact CD1-CE1 3.66Å; I242-F262 HydrophobicContact CD1-CZ 3.6Å; I242-F262 HydrophobicContact CG1-CZ 4.34Å; I242-L270 HydrophobicContact CG2-CD2 3.75Å; I242-L270 HydrophobicContact CG2-CG 3.95Å; I242-V271 HydrophobicContact CG2-CG1 4.36Å |
| 243 | N | 86.9 | Confident | 86.4 | Confident | 22 Ų | 22 | 51.3 Ų | 51.3 | 12% | 0.118 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.3 | -44.5 | -179.9 | -77 | -61.7 | 0 | 0 | 0 | 111.5 | L241 L245 L246 L247 L270 V271 | L241-N243 VanDerWaalsContact C-N 3.31Å; L241-N243 PolarHBondContact O-N 3.15Å; N243-L245 VanDerWaalsContact C-N 3.31Å; N243-L245 PolarHBondContact O-N 3.44Å; N243-L246 PolarHBondContact O-N 3.15Å; N243-L247 WeakPolarHBondContact O-CG 3.45Å; N243-L247 PolarHBondContact O-N 3.35Å; N243-L270 PolarHBondContact ND2-O 3.4Å; N243-L270 PolarHBondContact OD1-O 2.97Å; N243-V271 WeakPolarHBondContact OD1-CA 3.3Å |
| 244 | D | 86.5 | Confident | 86.3 | Confident | 69 Ų | 69 | 55.2 Ų | 55.2 | 37% | 0.369 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 178.4 | -63.2 | -8.9 | 0 | 0 | 0 | 111.9 | K215 L241 I242 L247 V248 | K215-D244 IonicContact NZ-OD2 2.66Å; K215-D244 PolarHBondContact NZ-OD2 3.06Å; K215-D244 VanDerWaalsContact NZ-OD2 3.12Å; L241-D244 PolarHBondContact O-N 3.44Å; I242-D244 PolarHBondContact O-N 2.85Å; D244-L247 PolarHBondContact O-N 3.35Å; D244-V248 WeakPolarHBondContact O-CG2 3.41Å; D244-V248 PolarHBondContact O-N 2.72Å |
| 245 | L | 86.9 | Confident | 86.3 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64 | -44.7 | 176 | -179.8 | 66 | 0 | 0 | 0 | 111 | F214 I218 L231 Y234 L241 I242 N243 L247 V248 L249 | F214-L245 HydrophobicContact CD1-CD1 4.27Å; F214-L245 HydrophobicContact CE1-CD1 4.2Å; I218-L245 HydrophobicContact CG2-CD1 3.96Å; L231-L245 HydrophobicContact CD2-CD2 4.12Å; Y234-L245 HydrophobicContact CD1-CD2 4.05Å; Y234-L245 HydrophobicContact CD2-CD2 3.55Å; Y234-L245 HydrophobicContact CE1-CD2 4.28Å; Y234-L245 HydrophobicContact CE2-CD2 3.82Å; Y234-L245 HydrophobicContact CG-CD2 3.67Å; L241-L245 PolarHBondContact O-N 2.9Å; I242-L245 PolarHBondContact O-N 3.2Å; N243-L245 VanDerWaalsContact C-N 3.31Å; N243-L245 PolarHBondContact O-N 3.44Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 3.31Å; L245-V248 PolarHBondContact O-N 3.25Å; L245-L249 HydrophobicContact CD1-CD1 3.93Å; L245-L249 HydrophobicContact CD1-CG 4.3Å; L245-L249 HydrophobicContact CD2-CD1 4.46Å; L245-L249 HydrophobicContact CG-CD1 3.85Å; L245-L249 HydrophobicContact CG-CG 4.5Å; L245-L249 WeakPolarHBondContact O-CB 3.45Å; L245-L249 WeakPolarHBondContact O-CG 3.45Å; L245-L249 PolarHBondContact O-N 3.5Å |
| 246 | L | 87.6 | Confident | 86.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -63.4 | -36 | 178.3 | -75 | 168.8 | 0 | 0 | 0 | 112.5 | L231 I242 N243 L249 S250 L253 T258 F262 V271 Y274 | L231-L246 HydrophobicContact CD1-CD2 4.05Å; L231-L246 HydrophobicContact CD2-CD2 3.48Å; L231-L246 VanDerWaalsContact CD2-CD2 3.48Å; L231-L246 HydrophobicContact CD2-CG 3.96Å; L231-L246 HydrophobicContact CG-CD2 4.44Å; I242-L246 HydrophobicContact CG1-CD1 4.21Å; I242-L246 HydrophobicContact CG1-CG 4.39Å; I242-L246 WeakPolarHBondContact O-CB 3.25Å; I242-L246 VanDerWaalsContact O-CG 3.28Å; I242-L246 WeakPolarHBondContact O-CG 3.42Å; I242-L246 PolarHBondContact O-N 3.09Å; N243-L246 PolarHBondContact O-N 3.15Å; L246-L249 PolarHBondContact O-N 3.18Å; L246-S250 PolarHBondContact O-N 3.4Å; L246-S250 PolarHBondContact O-OG 3.42Å; L246-L253 HydrophobicContact CD2-CD1 3.84Å; L246-T258 HydrophobicContact CD2-CG2 3.98Å; L246-F262 HydrophobicContact CD1-CE2 4.02Å; L246-F262 HydrophobicContact CD1-CZ 4.1Å; L246-F262 HydrophobicContact CD2-CE2 4.32Å; L246-V271 HydrophobicContact CD1-CB 4.24Å; L246-V271 HydrophobicContact CD1-CG1 3.57Å; L246-Y274 HydrophobicContact CB-CD1 4.43Å; L246-Y274 HydrophobicContact CB-CD2 3.48Å; L246-Y274 VanDerWaalsContact CB-CD2 3.48Å; L246-Y274 HydrophobicContact CB-CE2 3.81Å; L246-Y274 HydrophobicContact CB-CG 3.78Å; L246-Y274 HydrophobicContact CD1-CD1 3.97Å; L246-Y274 HydrophobicContact CD1-CD2 4.47Å; L246-Y274 HydrophobicContact CD1-CE1 4.47Å; L246-Y274 HydrophobicContact CD1-CG 3.94Å; L246-Y274 HydrophobicContact CD2-CE1 4.33Å; L246-Y274 HydrophobicContact CD2-CE2 4.34Å; L246-Y274 HydrophobicContact CG-CD2 4.42Å; L246-Y274 HydrophobicContact CG-CG 4.38Å |
| 247 | L | 87.8 | Confident | 86.4 | Confident | 87 Ų | 87 | 58.6 Ų | 58.6 | 46% | 0.455 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.7 | -46.5 | 174.2 | -73.3 | 172.4 | 0 | 0 | 0 | 111.6 | N243 D244 L245 L249 S250 S277 | N243-L247 WeakPolarHBondContact O-CG 3.45Å; N243-L247 PolarHBondContact O-N 3.35Å; D244-L247 PolarHBondContact O-N 3.35Å; L245-L247 VanDerWaalsContact C-N 3.32Å; L245-L247 PolarHBondContact O-N 3.31Å; L247-L249 VanDerWaalsContact C-N 3.3Å; L247-L249 PolarHBondContact O-N 3.1Å; L247-S250 WeakPolarHBondContact O-CB 3.39Å; L247-S250 PolarHBondContact O-N 2.9Å; L247-S250 PolarHBondContact O-OG 3.01Å; L247-S277 WeakPolarHBondContact CD2-OG 3.44Å |
| 248 | V | 88 | Confident | 86.5 | Confident | 62 Ų | 62 | 51 Ų | 51 | 38% | 0.376 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.9 | -36.6 | 178.2 | 172.4 | 0 | 0 | 0 | 0 | 111.6 | T219 D244 L245 | T219-V248 HydrophobicContact CG2-CG1 3.12Å; D244-V248 WeakPolarHBondContact O-CG2 3.41Å; D244-V248 PolarHBondContact O-N 2.72Å; L245-V248 PolarHBondContact O-N 3.25Å |
| 249 | L | 86.6 | Confident | 86.6 | Confident | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -85.9 | -3 | -178.8 | -67.1 | 177.8 | 0 | 0 | 0 | 114.6 | I218 C227 L245 L246 L247 P251 R252 L253 | I218-L249 HydrophobicContact CB-CD2 4.48Å; I218-L249 HydrophobicContact CG1-CD1 4.4Å; I218-L249 HydrophobicContact CG1-CD2 3.91Å; I218-L249 HydrophobicContact CG2-CD2 3.89Å; I218-L249 HydrophobicContact CG2-CG 4.45Å; C227-L249 HydrophobicContact CB-CD1 4.36Å; L245-L249 HydrophobicContact CD1-CD1 3.93Å; L245-L249 HydrophobicContact CD1-CG 4.3Å; L245-L249 HydrophobicContact CD2-CD1 4.46Å; L245-L249 HydrophobicContact CG-CD1 3.85Å; L245-L249 HydrophobicContact CG-CG 4.5Å; L245-L249 WeakPolarHBondContact O-CB 3.45Å; L245-L249 WeakPolarHBondContact O-CG 3.45Å; L245-L249 PolarHBondContact O-N 3.5Å; L246-L249 PolarHBondContact O-N 3.18Å; L247-L249 VanDerWaalsContact C-N 3.3Å; L247-L249 PolarHBondContact O-N 3.1Å; L249-P251 VanDerWaalsContact C-CD 3.48Å; L249-R252 PolarHBondContact O-N 2.89Å; L249-L253 HydrophobicContact CB-CD1 3.4Å; L249-L253 VanDerWaalsContact CB-CD1 3.4Å; L249-L253 HydrophobicContact CB-CG 3.85Å; L249-L253 HydrophobicContact CD1-CD1 4.36Å; L249-L253 WeakPolarHBondContact O-CG 3.34Å; L249-L253 PolarHBondContact O-N 3.44Å |
| 250 | S | 83.9 | Confident | 86.8 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -52.1 | -44.1 | -171.9 | -71.3 | 0 | 0 | 0 | 0 | 114.7 | L246 L247 R252 H255 | L246-S250 PolarHBondContact O-N 3.4Å; L246-S250 PolarHBondContact O-OG 3.42Å; L247-S250 WeakPolarHBondContact O-CB 3.39Å; L247-S250 PolarHBondContact O-N 2.9Å; L247-S250 PolarHBondContact O-OG 3.01Å; S250-R252 PolarHBondContact O-N 3.04Å; S250-R252 VanDerWaalsContact O-N 3.13Å; S250-H255 PolarHBondContact O-CE1 3.41Å; S250-H255 VanDerWaalsContact O-CE1 3.25Å |
| 251 | P | 85.5 | Confident | 86.9 | Confident | 117 Ų | 117 | 42.6 Ų | 42.6 | 76% | 0.76 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -67.3 | -14.8 | -177.8 | -21.4 | 34.1 | 0 | 0 | 0 | 115 | L249 | L249-P251 VanDerWaalsContact C-CD 3.48Š|
| 252 | R | 82.6 | Confident | 87 | Confident | 83 Ų | 83 | 40.5 Ų | 40.5 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -117.1 | -11.4 | -169.1 | -60.9 | -172.3 | 64.6 | -162.2 | -9.2 | 113.9 | T219 V221 A222 L249 S250 | T219-R252 PolarHBondContact O-NH1 3.44Å; V221-R252 PolarHBondContact O-NH1 3.44Å; V221-R252 PolarHBondContact O-NH2 3.27Å; A222-R252 PolarHBondContact O-NH2 2.91Å; L249-R252 PolarHBondContact O-N 2.89Å; S250-R252 PolarHBondContact O-N 3.04Å; S250-R252 VanDerWaalsContact O-N 3.13Å |
| 253 | L | 84.4 | Confident | 87 | Confident | 9 Ų | 9 | 44.2 Ų | 44.2 | 5% | 0.047 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -88.8 | 139.4 | -176.9 | -77.6 | 169.2 | 0 | 0 | 0 | 111.4 | C227 Y228 L231 L246 L249 H255 | C227-L253 HydrophobicContact CB-CD2 4.25Å; Y228-L253 HydrophobicContact CD1-CD2 4.06Å; Y228-L253 HydrophobicContact CE1-CD2 3.66Å; L231-L253 HydrophobicContact CD1-CD1 4.44Å; L231-L253 HydrophobicContact CD1-CD2 4.06Å; L246-L253 HydrophobicContact CD2-CD1 3.84Å; L249-L253 HydrophobicContact CB-CD1 3.4Å; L249-L253 VanDerWaalsContact CB-CD1 3.4Å; L249-L253 HydrophobicContact CB-CG 3.85Å; L249-L253 HydrophobicContact CD1-CD1 4.36Å; L249-L253 WeakPolarHBondContact O-CG 3.34Å; L249-L253 PolarHBondContact O-N 3.44Å; L253-H255 PolarHBondContact O-N 3.15Å; L253-H255 VanDerWaalsContact O-N 3.14Å |
| 254 | D | 87.2 | Confident | 87.1 | Confident | 96 Ų | 96 | 51.9 Ų | 51.9 | 51% | 0.513 | 28% | 0.275 | S | S | . | . | trans | -76.2 | 100.9 | 166 | -62.1 | -44.6 | 0 | 0 | 0 | 109.5 | Y228 T256 W257 T258 | Y228-D254 WeakPolarHBondContact OH-CB 3.4Å; Y228-D254 PolarHBondContact OH-N 3.29Å; Y228-D254 PolarHBondContact OH-OD2 3.47Å; D254-T256 PolarHBondContact O-N 3Å; D254-T256 VanDerWaalsContact O-N 3.15Å; D254-W257 HydrophobicContact CB-CB 4.15Å; D254-W257 PolarHBondContact O-N 3.35Å; D254-T258 PolarHBondContact O-N 3.01Å; D254-T258 PolarHBondContact O-OG1 3.36Å; D254-T258 VanDerWaalsContact O-OG1 3.14Å | ||
| 255 | H | 87.7 | Confident | 87.1 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.6 | -31.5 | -175.4 | -51 | -56.7 | 0 | 0 | 0 | 113.5 | S250 L253 T258 V259 Y274 V278 V286 | S250-H255 PolarHBondContact O-CE1 3.41Å; S250-H255 VanDerWaalsContact O-CE1 3.25Å; L253-H255 PolarHBondContact O-N 3.15Å; L253-H255 VanDerWaalsContact O-N 3.14Å; H255-T258 PolarHBondContact O-N 3.33Å; H255-V259 VanDerWaalsContact O-CG2 3.31Å; H255-V259 WeakPolarHBondContact O-CG2 3.35Å; H255-V259 PolarHBondContact O-N 3.35Å; H255-Y274 PolarHBondContact ND1-OH 3.07Å; H255-V278 HydrophobicContact CB-CG1 4.16Å; H255-V278 WeakPolarHBondContact ND1-CG1 3.49Å; H255-V286 HydrophobicContact CB-CG2 4.01Å |
| 256 | T | 88.3 | Confident | 86.9 | Confident | 75 Ų | 75 | 53.8 Ų | 53.8 | 46% | 0.46 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62 | -46.1 | 175.4 | 50.5 | 0 | 0 | 0 | 0 | 112 | D254 S260 N283 S285 | D254-T256 PolarHBondContact O-N 3Å; D254-T256 VanDerWaalsContact O-N 3.15Å; T256-S260 PolarHBondContact O-N 3.14Å; T256-S260 VanDerWaalsContact O-N 3.15Å; T256-N283 WeakPolarHBondContact CG2-ND2 3.23Å; T256-N283 WeakPolarHBondContact CG2-OD1 3.46Å; T256-S285 WeakPolarHBondContact CA-OG 3.31Å |
| 257 | W | 89.3 | Confident | 86.7 | Confident | 91 Ų | 91 | 57.5 Ų | 57.5 | 35% | 0.345 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.1 | -47.4 | 177.8 | -175.8 | 94.7 | 0 | 0 | 0 | 110.2 | Y228 D254 V259 S260 F261 | Y228-W257 AromaticContact CD1-CD2 3.97Å; Y228-W257 HydrophobicContact CD1-CD2 3.97Å; Y228-W257 AromaticContact CD1-CE3 3.24Å; Y228-W257 HydrophobicContact CD1-CE3 3.24Å; Y228-W257 AromaticContact CD1-CH2 3.66Å; Y228-W257 HydrophobicContact CD1-CH2 3.66Å; Y228-W257 HydrophobicContact CD1-CZ2 4.29Å; Y228-W257 AromaticContact CD1-CZ3 3.08Å; Y228-W257 HydrophobicContact CD1-CZ3 3.08Å; Y228-W257 AromaticContact CE1-CD2 3.85Å; Y228-W257 HydrophobicContact CE1-CD2 3.85Å; Y228-W257 AromaticContact CE1-CE3 3.27Å; Y228-W257 HydrophobicContact CE1-CE3 3.27Å; Y228-W257 HydrophobicContact CE1-CG 4.49Å; Y228-W257 HydrophobicContact CE1-CH2 4.49Å; Y228-W257 AromaticContact CE1-CZ3 3.68Å; Y228-W257 HydrophobicContact CE1-CZ3 3.68Å; Y228-W257 HydrophobicContact CE2-CD2 4.49Å; Y228-W257 HydrophobicContact CG-CD2 4.35Å; Y228-W257 AromaticContact CG-CE3 3.96Å; Y228-W257 HydrophobicContact CG-CE3 3.96Å; Y228-W257 AromaticContact CG-CH2 3.69Å; Y228-W257 HydrophobicContact CG-CH2 3.69Å; Y228-W257 HydrophobicContact CG-CZ2 4.05Å; Y228-W257 AromaticContact CG-CZ3 3.64Å; Y228-W257 HydrophobicContact CG-CZ3 3.64Å; D254-W257 HydrophobicContact CB-CB 4.15Å; D254-W257 PolarHBondContact O-N 3.35Å; W257-V259 VanDerWaalsContact C-N 3.34Å; W257-V259 PolarHBondContact O-N 2.82Å; W257-S260 PolarHBondContact O-N 2.99Å; W257-S260 VanDerWaalsContact O-N 3.09Å; W257-S260 PolarHBondContact O-OG 3.16Å; W257-F261 HydrophobicContact CE3-CB 4.17Å; W257-F261 HydrophobicContact CH2-CB 3.95Å; W257-F261 AromaticContact CH2-CD2 3.7Å; W257-F261 HydrophobicContact CH2-CD2 3.7Å; W257-F261 HydrophobicContact CH2-CE2 4.36Å; W257-F261 AromaticContact CH2-CG 3.8Å; W257-F261 HydrophobicContact CH2-CG 3.8Å; W257-F261 HydrophobicContact CZ2-CB 4.41Å; W257-F261 HydrophobicContact CZ2-CD2 4.19Å; W257-F261 HydrophobicContact CZ3-CB 3.81Å; W257-F261 HydrophobicContact CZ3-CD1 4.42Å; W257-F261 HydrophobicContact CZ3-CD2 4.32Å; W257-F261 AromaticContact CZ3-CG 3.94Å; W257-F261 HydrophobicContact CZ3-CG 3.94Å; W257-F261 PolarHBondContact O-N 3.39Å |
| 258 | T | 86.8 | Confident | 86.6 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -56.7 | -46.1 | -179.3 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | L246 D254 H255 F261 F262 Y274 | L246-T258 HydrophobicContact CD2-CG2 3.98Å; D254-T258 PolarHBondContact O-N 3.01Å; D254-T258 PolarHBondContact O-OG1 3.36Å; D254-T258 VanDerWaalsContact O-OG1 3.14Å; H255-T258 PolarHBondContact O-N 3.33Å; T258-F261 WeakPolarHBondContact O-CB 3.5Å; T258-F261 PolarHBondContact O-N 3Å; T258-F262 HydrophobicContact CG2-CD2 3.76Å; T258-F262 HydrophobicContact CG2-CE2 3.44Å; T258-F262 VanDerWaalsContact CG2-CE2 3.44Å; T258-F262 WeakPolarHBondContact O-CD2 3.27Å; T258-F262 PolarHBondContact O-N 2.76Å; T258-F262 VanDerWaalsContact O-N 3.1Å; T258-Y274 HydrophobicContact CG2-CE1 4.04Å |
| 259 | V | 87.6 | Confident | 86.6 | Confident | 11 Ų | 11 | 54.6 Ų | 54.6 | 7% | 0.067 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -44.2 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | H255 W257 F261 F262 S263 L268 L275 V286 A289 | H255-V259 VanDerWaalsContact O-CG2 3.31Å; H255-V259 WeakPolarHBondContact O-CG2 3.35Å; H255-V259 PolarHBondContact O-N 3.35Å; W257-V259 VanDerWaalsContact C-N 3.34Å; W257-V259 PolarHBondContact O-N 2.82Å; V259-F261 VanDerWaalsContact C-N 3.27Å; V259-F261 PolarHBondContact O-N 2.98Å; V259-F262 PolarHBondContact O-N 3.3Å; V259-S263 VanDerWaalsContact O-CB 3.25Å; V259-S263 WeakPolarHBondContact O-CB 3.33Å; V259-S263 PolarHBondContact O-N 3.39Å; V259-L268 HydrophobicContact CG1-CD1 4.33Å; V259-L275 HydrophobicContact CG2-CD2 3.89Å; V259-V286 HydrophobicContact CG2-CG2 3.83Å; V259-A289 HydrophobicContact CG1-CB 3.54Å |
| 260 | S | 88.2 | Confident | 86.6 | Confident | 46 Ų | 46 | 56.6 Ų | 56.6 | 32% | 0.322 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -34.5 | 178.7 | 79.7 | 0 | 0 | 0 | 0 | 112.7 | T256 W257 K264 | T256-S260 PolarHBondContact O-N 3.14Å; T256-S260 VanDerWaalsContact O-N 3.15Å; W257-S260 PolarHBondContact O-N 2.99Å; W257-S260 VanDerWaalsContact O-N 3.09Å; W257-S260 PolarHBondContact O-OG 3.16Å; S260-K264 WeakPolarHBondContact O-CB 3.35Å; S260-K264 VanDerWaalsContact O-CG 3.27Å; S260-K264 WeakPolarHBondContact O-CG 3.1Å; S260-K264 PolarHBondContact O-N 3.44Å; S260-K264 VanDerWaalsContact O-N 3.07Å |
| 261 | F | 88.5 | Confident | 86.8 | Confident | 40 Ų | 40 | 55.9 Ų | 55.9 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.2 | -50.8 | 176.6 | 173.5 | -100 | 0 | 0 | 0 | 110.9 | Q232 L235 W257 T258 V259 S263 K264 A265 | Q232-F261 HydrophobicContact CB-CZ 4.06Å; Q232-F261 HydrophobicContact CG-CZ 4.45Å; L235-F261 HydrophobicContact CD2-CE1 3.75Å; L235-F261 HydrophobicContact CD2-CZ 4.03Å; W257-F261 HydrophobicContact CE3-CB 4.17Å; W257-F261 HydrophobicContact CH2-CB 3.95Å; W257-F261 AromaticContact CH2-CD2 3.7Å; W257-F261 HydrophobicContact CH2-CD2 3.7Å; W257-F261 HydrophobicContact CH2-CE2 4.36Å; W257-F261 AromaticContact CH2-CG 3.8Å; W257-F261 HydrophobicContact CH2-CG 3.8Å; W257-F261 HydrophobicContact CZ2-CB 4.41Å; W257-F261 HydrophobicContact CZ2-CD2 4.19Å; W257-F261 HydrophobicContact CZ3-CB 3.81Å; W257-F261 HydrophobicContact CZ3-CD1 4.42Å; W257-F261 HydrophobicContact CZ3-CD2 4.32Å; W257-F261 AromaticContact CZ3-CG 3.94Å; W257-F261 HydrophobicContact CZ3-CG 3.94Å; W257-F261 PolarHBondContact O-N 3.39Å; T258-F261 WeakPolarHBondContact O-CB 3.5Å; T258-F261 PolarHBondContact O-N 3Å; V259-F261 VanDerWaalsContact C-N 3.27Å; V259-F261 PolarHBondContact O-N 2.98Å; F261-S263 PolarHBondContact O-N 2.99Å; F261-K264 PolarHBondContact O-N 3.06Å; F261-A265 WeakPolarHBondContact O-CB 3.49Å; F261-A265 PolarHBondContact O-N 3.06Å |
| 262 | F | 88.8 | Confident | 86.9 | Confident | 1 Ų | 1 | 52.4 Ų | 52.4 | 0% | 0.004 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.5 | -33 | 178.7 | -71.8 | -63 | 0 | 0 | 0 | 113.5 | L235 I242 L246 T258 V259 A265 G266 Q267 L268 V271 | L235-F262 HydrophobicContact CD1-CD1 4.4Å; L235-F262 HydrophobicContact CD1-CE1 3.96Å; L235-F262 HydrophobicContact CD2-CD1 4.3Å; L235-F262 HydrophobicContact CD2-CE1 4.13Å; I242-F262 HydrophobicContact CD1-CE1 3.66Å; I242-F262 HydrophobicContact CD1-CZ 3.6Å; I242-F262 HydrophobicContact CG1-CZ 4.34Å; L246-F262 HydrophobicContact CD1-CE2 4.02Å; L246-F262 HydrophobicContact CD1-CZ 4.1Å; L246-F262 HydrophobicContact CD2-CE2 4.32Å; T258-F262 HydrophobicContact CG2-CD2 3.76Å; T258-F262 HydrophobicContact CG2-CE2 3.44Å; T258-F262 VanDerWaalsContact CG2-CE2 3.44Å; T258-F262 WeakPolarHBondContact O-CD2 3.27Å; T258-F262 PolarHBondContact O-N 2.76Å; T258-F262 VanDerWaalsContact O-N 3.1Å; V259-F262 PolarHBondContact O-N 3.3Å; F262-A265 PolarHBondContact O-N 2.82Å; F262-G266 PolarHBondContact O-N 2.9Å; F262-Q267 PolarHBondContact O-N 3.3Å; F262-L268 HydrophobicContact CB-CD1 4.16Å; F262-V271 HydrophobicContact CB-CG2 4.35Å; F262-V271 HydrophobicContact CD1-CG1 4.09Å; F262-V271 HydrophobicContact CD2-CG1 3.93Å; F262-V271 HydrophobicContact CD2-CG2 4.08Å; F262-V271 HydrophobicContact CE1-CG1 3.92Å; F262-V271 HydrophobicContact CE2-CG1 3.73Å; F262-V271 HydrophobicContact CG-CG1 4.12Å; F262-V271 HydrophobicContact CG-CG2 4.16Å; F262-V271 HydrophobicContact CZ-CG1 3.74Å |
| 263 | S | 87.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 52.1 Ų | 52.1 | 55% | 0.545 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 173.3 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | V259 F261 A265 G266 | V259-S263 VanDerWaalsContact O-CB 3.25Å; V259-S263 WeakPolarHBondContact O-CB 3.33Å; V259-S263 PolarHBondContact O-N 3.39Å; F261-S263 PolarHBondContact O-N 2.99Å; S263-A265 VanDerWaalsContact C-N 3.3Å; S263-A265 PolarHBondContact O-N 3.47Å; S263-G266 PolarHBondContact O-N 3.16Å; S263-G266 VanDerWaalsContact O-N 3.14Å |
| 264 | K | 89.1 | Confident | 87.4 | Confident | 182 Ų | 182 | 51.8 Ų | 51.8 | 79% | 0.791 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64 | -34.4 | 174.7 | -73.6 | 172.8 | -176.9 | 175 | 0 | 112.9 | S260 F261 G266 | S260-K264 WeakPolarHBondContact O-CB 3.35Å; S260-K264 VanDerWaalsContact O-CG 3.27Å; S260-K264 WeakPolarHBondContact O-CG 3.1Å; S260-K264 PolarHBondContact O-N 3.44Å; S260-K264 VanDerWaalsContact O-N 3.07Å; F261-K264 PolarHBondContact O-N 3.06Å; K264-G266 VanDerWaalsContact C-N 3.27Å; K264-G266 PolarHBondContact O-N 3.27Å |
| 265 | A | 86.3 | Confident | 87.4 | Confident | 48 Ų | 48 | 47.3 Ų | 47.3 | 40% | 0.397 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -76.6 | -11.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | L235 F261 F262 S263 Q267 | L235-A265 HydrophobicContact CD2-CB 3.96Å; F261-A265 WeakPolarHBondContact O-CB 3.49Å; F261-A265 PolarHBondContact O-N 3.06Å; F262-A265 PolarHBondContact O-N 2.82Å; S263-A265 VanDerWaalsContact C-N 3.3Å; S263-A265 PolarHBondContact O-N 3.47Å; A265-Q267 PolarHBondContact O-N 2.96Å |
| 266 | G | 83 | Confident | 87.4 | Confident | 61 Ų | 61 | 52.1 Ų | 52.1 | 63% | 0.629 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.6 | 12.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.6 | F262 S263 K264 | F262-G266 PolarHBondContact O-N 2.9Å; S263-G266 PolarHBondContact O-N 3.16Å; S263-G266 VanDerWaalsContact O-N 3.14Å; K264-G266 VanDerWaalsContact C-N 3.27Å; K264-G266 PolarHBondContact O-N 3.27Å |
| 267 | Q | 84.4 | Confident | 87.3 | Confident | 78 Ų | 78 | 51.2 Ų | 51.2 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | trans | -108.6 | 28.2 | -178.6 | -63.7 | -160.4 | 3.8 | 0 | 0 | 112.9 | L235 F262 A265 P269 L270 | L235-Q267 HydrophobicContact CD1-CB 4.34Å; F262-Q267 PolarHBondContact O-N 3.3Å; A265-Q267 PolarHBondContact O-N 2.96Å; Q267-P269 VanDerWaalsContact C-N 3.34Å; Q267-L270 WeakPolarHBondContact O-CB 3.36Å; Q267-L270 PolarHBondContact O-N 3.37Å | ||
| 268 | L | 84.9 | Confident | 87.2 | Confident | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -55.4 | -37.8 | 178.1 | -160 | 90.4 | 0 | 0 | 0 | 114.1 | V259 F262 L270 V271 A289 L293 | V259-L268 HydrophobicContact CG1-CD1 4.33Å; F262-L268 HydrophobicContact CB-CD1 4.16Å; L268-L270 PolarHBondContact O-N 3.19Å; L268-V271 WeakPolarHBondContact O-CG2 3.49Å; L268-V271 PolarHBondContact O-N 3.42Å; L268-A289 HydrophobicContact CD1-CB 4.11Å; L268-A289 HydrophobicContact CD2-CB 3.82Å; L268-A289 HydrophobicContact CG-CB 4.49Å; L268-L293 HydrophobicContact CB-CD2 4.25Å; L268-L293 HydrophobicContact CD2-CD1 3.69Å; L268-L293 HydrophobicContact CD2-CD2 3.72Å; L268-L293 HydrophobicContact CD2-CG 3.49Å; L268-L293 VanDerWaalsContact CD2-CG 3.49Å; L268-L293 HydrophobicContact CG-CD1 3.97Å; L268-L293 HydrophobicContact CG-CD2 4.25Å; L268-L293 HydrophobicContact CG-CG 4.24Å |
| 269 | P | 87.2 | Confident | 87.1 | Confident | 70 Ų | 70 | 47.8 Ų | 47.8 | 46% | 0.455 | 27% | 0.274 | S | S | . | . | G | 310 helix | trans | -60.8 | -29.7 | 179.7 | -25.4 | 34.7 | 0 | 0 | 0 | 114.1 | Q267 V271 K272 L293 | Q267-P269 VanDerWaalsContact C-N 3.34Å; P269-V271 PolarHBondContact O-N 3.48Å; P269-K272 WeakPolarHBondContact O-CB 3.19Å; P269-K272 PolarHBondContact O-N 3.22Å; P269-L293 HydrophobicContact CB-CD2 4.12Å; P269-L293 HydrophobicContact CG-CD2 3.7Å |
| 270 | L | 88 | Confident | 87 | Confident | 44 Ų | 44 | 50.8 Ų | 50.8 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -62.3 | -34.3 | -178.9 | -178.1 | 65.2 | 0 | 0 | 0 | 112.1 | L235 P239 I242 N243 Q267 L268 K272 | L235-L270 HydrophobicContact CD1-CD2 4.21Å; P239-L270 HydrophobicContact CB-CD2 3.77Å; P239-L270 WeakPolarHBondContact O-CD2 3.49Å; I242-L270 HydrophobicContact CG2-CD2 3.75Å; I242-L270 HydrophobicContact CG2-CG 3.95Å; N243-L270 PolarHBondContact ND2-O 3.4Å; N243-L270 PolarHBondContact OD1-O 2.97Å; Q267-L270 WeakPolarHBondContact O-CB 3.36Å; Q267-L270 PolarHBondContact O-N 3.37Å; L268-L270 PolarHBondContact O-N 3.19Å; L270-K272 VanDerWaalsContact C-N 3.34Å |
| 271 | V | 87.6 | Confident | 86.7 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -92.5 | 11.7 | -175.3 | -63.2 | 0 | 0 | 0 | 0 | 113.6 | I242 N243 L246 F262 L268 P269 Y274 L275 | I242-V271 HydrophobicContact CG2-CG1 4.36Å; N243-V271 WeakPolarHBondContact OD1-CA 3.3Å; L246-V271 HydrophobicContact CD1-CB 4.24Å; L246-V271 HydrophobicContact CD1-CG1 3.57Å; F262-V271 HydrophobicContact CB-CG2 4.35Å; F262-V271 HydrophobicContact CD1-CG1 4.09Å; F262-V271 HydrophobicContact CD2-CG1 3.93Å; F262-V271 HydrophobicContact CD2-CG2 4.08Å; F262-V271 HydrophobicContact CE1-CG1 3.92Å; F262-V271 HydrophobicContact CE2-CG1 3.73Å; F262-V271 HydrophobicContact CG-CG1 4.12Å; F262-V271 HydrophobicContact CG-CG2 4.16Å; F262-V271 HydrophobicContact CZ-CG1 3.74Å; L268-V271 WeakPolarHBondContact O-CG2 3.49Å; L268-V271 PolarHBondContact O-N 3.42Å; P269-V271 PolarHBondContact O-N 3.48Å; V271-Y274 HydrophobicContact CB-CD1 4.39Å; V271-Y274 WeakPolarHBondContact O-CB 3.49Å; V271-Y274 PolarHBondContact O-N 3.5Å; V271-Y274 VanDerWaalsContact O-N 3.07Å; V271-L275 HydrophobicContact CG2-CD1 4.33Å; V271-L275 HydrophobicContact CG2-CG 4.34Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 2.99Å |
| 272 | K | 87.1 | Confident | 86.7 | Confident | 44 Ų | 44 | 54.3 Ų | 54.3 | 19% | 0.191 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -52.3 | -45.8 | 178.7 | 175.6 | -177.9 | -179.3 | 179.5 | 0 | 114.1 | P269 L270 Y274 L275 R276 E297 | P269-K272 WeakPolarHBondContact O-CB 3.19Å; P269-K272 PolarHBondContact O-N 3.22Å; L270-K272 VanDerWaalsContact C-N 3.34Å; K272-Y274 VanDerWaalsContact C-N 3.28Å; K272-Y274 PolarHBondContact O-N 2.9Å; K272-L275 PolarHBondContact O-N 3.5Å; K272-R276 PolarHBondContact O-N 3.3Å; K272-R276 VanDerWaalsContact O-N 3.08Å; K272-E297 WeakPolarHBondContact CD-OE1 3.38Å; K272-E297 VanDerWaalsContact CE-OE2 3.29Å; K272-E297 WeakPolarHBondContact CE-OE2 3.36Å; K272-E297 IonicContact NZ-OE1 3.46Å; K272-E297 PolarHBondContact NZ-OE1 3.43Å; K272-E297 IonicContact NZ-OE2 2.71Å; K272-E297 PolarHBondContact NZ-OE2 3.33Å |
| 273 | P | 89.3 | Confident | 86.7 | Confident | 78 Ų | 78 | 55.9 Ų | 55.9 | 51% | 0.506 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 176.8 | -23.9 | 34.8 | 0 | 0 | 0 | 112.5 | R276 S277 | P273-R276 PolarHBondContact O-N 3.08Å; P273-S277 PolarHBondContact O-N 3.44Å |
| 274 | Y | 88.8 | Confident | 86.7 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.008 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 176.1 | 164.5 | -105 | 0 | 0 | 0 | 112.3 | L246 H255 T258 V271 K272 R276 S277 V278 | L246-Y274 HydrophobicContact CB-CD1 4.43Å; L246-Y274 HydrophobicContact CB-CD2 3.48Å; L246-Y274 VanDerWaalsContact CB-CD2 3.48Å; L246-Y274 HydrophobicContact CB-CE2 3.81Å; L246-Y274 HydrophobicContact CB-CG 3.78Å; L246-Y274 HydrophobicContact CD1-CD1 3.97Å; L246-Y274 HydrophobicContact CD1-CD2 4.47Å; L246-Y274 HydrophobicContact CD1-CE1 4.47Å; L246-Y274 HydrophobicContact CD1-CG 3.94Å; L246-Y274 HydrophobicContact CD2-CE1 4.33Å; L246-Y274 HydrophobicContact CD2-CE2 4.34Å; L246-Y274 HydrophobicContact CG-CD2 4.42Å; L246-Y274 HydrophobicContact CG-CG 4.38Å; H255-Y274 PolarHBondContact ND1-OH 3.07Å; T258-Y274 HydrophobicContact CG2-CE1 4.04Å; V271-Y274 HydrophobicContact CB-CD1 4.39Å; V271-Y274 WeakPolarHBondContact O-CB 3.49Å; V271-Y274 PolarHBondContact O-N 3.5Å; V271-Y274 VanDerWaalsContact O-N 3.07Å; K272-Y274 VanDerWaalsContact C-N 3.28Å; K272-Y274 PolarHBondContact O-N 2.9Å; Y274-R276 VanDerWaalsContact C-N 3.28Å; Y274-R276 PolarHBondContact O-N 3.36Å; Y274-S277 WeakPolarHBondContact CA-OG 3.5Å; Y274-S277 PolarHBondContact O-N 2.69Å; Y274-S277 VanDerWaalsContact O-N 3.1Å; Y274-S277 PolarHBondContact O-OG 2.66Å; Y274-V278 HydrophobicContact CD2-CG2 3.73Å; Y274-V278 HydrophobicContact CE1-CG2 4.33Å; Y274-V278 HydrophobicContact CE2-CG2 3.32Å; Y274-V278 HydrophobicContact CG-CG2 4.43Å; Y274-V278 WeakPolarHBondContact O-CG2 3.27Å; Y274-V278 PolarHBondContact O-N 3.19Å |
| 275 | L | 87.4 | Confident | 86.7 | Confident | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.1 | -40.3 | 177.5 | -64.6 | 175.6 | 0 | 0 | 0 | 111.5 | V259 V271 K272 V278 Q279 V286 L290 L293 | V259-L275 HydrophobicContact CG2-CD2 3.89Å; V271-L275 HydrophobicContact CG2-CD1 4.33Å; V271-L275 HydrophobicContact CG2-CG 4.34Å; V271-L275 WeakPolarHBondContact O-CG 3.31Å; V271-L275 PolarHBondContact O-N 2.99Å; K272-L275 PolarHBondContact O-N 3.5Å; L275-V278 PolarHBondContact O-N 3.43Å; L275-Q279 WeakPolarHBondContact O-CB 3.48Å; L275-Q279 PolarHBondContact O-N 3.2Å; L275-V286 HydrophobicContact CB-CG1 4.42Å; L275-V286 HydrophobicContact CD2-CG1 4.02Å; L275-V286 HydrophobicContact CD2-CG2 4.48Å; L275-L290 HydrophobicContact CB-CD1 4.14Å; L275-L293 HydrophobicContact CD1-CD1 3.7Å |
| 276 | R | 86.6 | Confident | 86.8 | Confident | 124 Ų | 124 | 46.9 Ų | 46.9 | 47% | 0.468 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 175 | -73.2 | -172.2 | 175 | -172.1 | -2.4 | 112.8 | K272 P273 Y274 L290 D299 | K272-R276 PolarHBondContact O-N 3.3Å; K272-R276 VanDerWaalsContact O-N 3.08Å; P273-R276 PolarHBondContact O-N 3.08Å; Y274-R276 VanDerWaalsContact C-N 3.28Å; Y274-R276 PolarHBondContact O-N 3.36Å; R276-L290 HydrophobicContact CG-CD1 4.48Å; R276-D299 IonicContact NH2-OD2 3.85Å |
| 277 | S | 86.6 | Confident | 87.1 | Confident | 55 Ų | 55 | 44 Ų | 44 | 39% | 0.385 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -69.9 | -33.9 | 177 | 59.4 | 0 | 0 | 0 | 0 | 113.3 | L247 P273 Y274 | L247-S277 WeakPolarHBondContact CD2-OG 3.44Å; P273-S277 PolarHBondContact O-N 3.44Å; Y274-S277 WeakPolarHBondContact CA-OG 3.5Å; Y274-S277 PolarHBondContact O-N 2.69Å; Y274-S277 VanDerWaalsContact O-N 3.1Å; Y274-S277 PolarHBondContact O-OG 2.66Å |
| 278 | V | 86.5 | Confident | 87.2 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -84.4 | -15.8 | -177.1 | 171.4 | 0 | 0 | 0 | 0 | 112.4 | H255 Y274 L275 S280 H281 V286 | H255-V278 HydrophobicContact CB-CG1 4.16Å; H255-V278 WeakPolarHBondContact ND1-CG1 3.49Å; Y274-V278 HydrophobicContact CD2-CG2 3.73Å; Y274-V278 HydrophobicContact CE1-CG2 4.33Å; Y274-V278 HydrophobicContact CE2-CG2 3.32Å; Y274-V278 HydrophobicContact CG-CG2 4.43Å; Y274-V278 WeakPolarHBondContact O-CG2 3.27Å; Y274-V278 PolarHBondContact O-N 3.19Å; L275-V278 PolarHBondContact O-N 3.43Å; V278-S280 PolarHBondContact O-N 3.37Å; V278-H281 WeakPolarHBondContact O-CB 3.46Å; V278-H281 PolarHBondContact O-N 3.12Å; V278-H281 PolarHBondContact O-ND1 3.19Å; V278-H281 VanDerWaalsContact O-ND1 3.09Å; V278-V286 HydrophobicContact CG1-CG2 4.23Å |
| 279 | Q | 85 | Confident | 87.4 | Confident | 18 Ų | 18 | 43.6 Ų | 43.6 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -53.1 | -27.7 | -176.1 | -156.3 | 177.7 | 3 | 0 | 0 | 113.7 | L275 H281 N282 L290 S306 Y310 | L275-Q279 WeakPolarHBondContact O-CB 3.48Å; L275-Q279 PolarHBondContact O-N 3.2Å; Q279-H281 PolarHBondContact O-N 2.93Å; Q279-N282 PolarHBondContact O-N 3.34Å; Q279-L290 HydrophobicContact CG-CD2 4.28Å; Q279-S306 PolarHBondContact NE2-OG 3Å; Q279-Y310 HydrophobicContact CB-CD2 4.45Å; Q279-Y310 HydrophobicContact CB-CE2 3.99Å; Q279-Y310 HydrophobicContact CG-CD1 4.5Å; Q279-Y310 HydrophobicContact CG-CD2 3.45Å; Q279-Y310 VanDerWaalsContact CG-CD2 3.45Å; Q279-Y310 HydrophobicContact CG-CE2 3.46Å; Q279-Y310 VanDerWaalsContact CG-CE2 3.46Å; Q279-Y310 HydrophobicContact CG-CG 3.96Å; Q279-Y310 WeakPolarHBondContact O-CD1 3.32Å; Q279-Y310 WeakPolarHBondContact O-CE1 3.08Å |
| 280 | S | 85.4 | Confident | 87.5 | Confident | 75 Ų | 75 | 40.3 Ų | 40.3 | 52% | 0.524 | 21% | 0.211 | S | C | . | . | G | 310 helix | trans | -54.1 | -25.3 | 174.3 | 63.2 | 0 | 0 | 0 | 0 | 114.7 | V278 N282 | V278-S280 PolarHBondContact O-N 3.37Å; S280-N282 PolarHBondContact O-N 3.31Å |
| 281 | H | 83.3 | Confident | 87.5 | Confident | 115 Ų | 115 | 38.3 Ų | 38.3 | 53% | 0.532 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -78.1 | -4.3 | 178.6 | -63.3 | 84 | 0 | 0 | 0 | 113.4 | V278 Q279 N283 | V278-H281 WeakPolarHBondContact O-CB 3.46Å; V278-H281 PolarHBondContact O-N 3.12Å; V278-H281 PolarHBondContact O-ND1 3.19Å; V278-H281 VanDerWaalsContact O-ND1 3.09Å; Q279-H281 PolarHBondContact O-N 2.93Å; H281-N283 VanDerWaalsContact C-N 3.29Å; H281-N283 PolarHBondContact O-N 3.47Å |
| 282 | N | 87.2 | Confident | 87.5 | Confident | 45 Ų | 45 | 42.2 Ų | 42.2 | 24% | 0.241 | 22% | 0.218 | C | C | . | . | trans | 47.3 | 48.1 | -179.7 | -161.7 | 18.3 | 0 | 0 | 0 | 113.1 | Q279 S280 N287 Y310 D311 N312 | Q279-N282 PolarHBondContact O-N 3.34Å; S280-N282 PolarHBondContact O-N 3.31Å; N282-N287 PolarHBondContact OD1-ND2 3.22Å; N282-Y310 HydrophobicContact CB-CD1 4.23Å; N282-D311 PolarHBondContact ND2-OD1 3.22Å; N282-N312 WeakPolarHBondContact O-CB 3.33Å; N282-N312 PolarHBondContact O-ND2 3.23Å; N282-N312 WeakPolarHBondContact OD1-CB 3.39Å; N282-N312 PolarHBondContact OD1-N 3.16Å | ||
| 283 | N | 88.4 | Confident | 87.5 | Confident | 33 Ų | 33 | 40.2 Ų | 40.2 | 18% | 0.176 | 21% | 0.209 | C | C | . | . | trans | -87.8 | 128 | 180 | -174.4 | -29.9 | 0 | 0 | 0 | 110.5 | T256 H281 S285 V286 N287 | T256-N283 WeakPolarHBondContact CG2-ND2 3.23Å; T256-N283 WeakPolarHBondContact CG2-OD1 3.46Å; H281-N283 VanDerWaalsContact C-N 3.29Å; H281-N283 PolarHBondContact O-N 3.47Å; N283-S285 PolarHBondContact O-N 3.19Å; N283-S285 PolarHBondContact OD1-N 2.96Å; N283-S285 VanDerWaalsContact OD1-N 3.12Å; N283-S285 PolarHBondContact OD1-OG 3.39Å; N283-V286 HydrophobicContact CB-CB 4.25Å; N283-V286 HydrophobicContact CB-CG2 4.03Å; N283-V286 PolarHBondContact O-N 3.44Å; N283-V286 VanDerWaalsContact O-N 3.09Å; N283-N287 PolarHBondContact O-N 3.31Å | ||
| 284 | K | 89.3 | Confident | 87.5 | Confident | 93 Ų | 93 | 36.7 Ų | 36.7 | 40% | 0.404 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -48.5 | -50.9 | 179.2 | -176.8 | 171.5 | 178.4 | 176 | 0 | 114.2 | V286 N287 E288 N312 | K284-V286 VanDerWaalsContact C-N 3.31Å; K284-V286 PolarHBondContact O-N 2.99Å; K284-N287 PolarHBondContact O-N 3.3Å; K284-E288 WeakPolarHBondContact CE-OE1 3.28Å; K284-E288 HydrophobicContact CG-CG 4.35Å; K284-E288 IonicContact NZ-OE1 3.19Å; K284-E288 WeakPolarHBondContact O-CB 3.33Å; K284-E288 WeakPolarHBondContact O-CG 3.42Å; K284-E288 PolarHBondContact O-N 3.16Å; K284-N312 VanDerWaalsContact CA-O 3.28Å; K284-N312 WeakPolarHBondContact CA-O 3.27Å; K284-N312 PolarHBondContact N-ND2 2.93Å |
| 285 | S | 88 | Confident | 87.4 | Confident | 25 Ų | 25 | 37.4 Ų | 37.4 | 18% | 0.175 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.1 | -38.4 | -178.5 | 58 | 0 | 0 | 0 | 0 | 112.9 | T256 N283 A289 | T256-S285 WeakPolarHBondContact CA-OG 3.31Å; N283-S285 PolarHBondContact O-N 3.19Å; N283-S285 PolarHBondContact OD1-N 2.96Å; N283-S285 VanDerWaalsContact OD1-N 3.12Å; N283-S285 PolarHBondContact OD1-OG 3.39Å; S285-A289 WeakPolarHBondContact O-CB 3.47Å; S285-A289 PolarHBondContact O-N 2.98Å |
| 286 | V | 88.3 | Confident | 87.3 | Confident | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69 | -46.4 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 110 | H255 V259 L275 V278 N283 K284 A289 L290 | H255-V286 HydrophobicContact CB-CG2 4.01Å; V259-V286 HydrophobicContact CG2-CG2 3.83Å; L275-V286 HydrophobicContact CB-CG1 4.42Å; L275-V286 HydrophobicContact CD2-CG1 4.02Å; L275-V286 HydrophobicContact CD2-CG2 4.48Å; V278-V286 HydrophobicContact CG1-CG2 4.23Å; N283-V286 HydrophobicContact CB-CB 4.25Å; N283-V286 HydrophobicContact CB-CG2 4.03Å; N283-V286 PolarHBondContact O-N 3.44Å; N283-V286 VanDerWaalsContact O-N 3.09Å; K284-V286 VanDerWaalsContact C-N 3.31Å; K284-V286 PolarHBondContact O-N 2.99Å; V286-A289 PolarHBondContact O-N 3.28Å; V286-L290 WeakPolarHBondContact O-CB 3.25Å; V286-L290 PolarHBondContact O-N 3.05Å |
| 287 | N | 89.1 | Confident | 87.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.005 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 179.3 | -67.6 | -20.5 | 0 | 0 | 0 | 111.5 | N282 N283 K284 L290 N291 N312 F313 | N282-N287 PolarHBondContact OD1-ND2 3.22Å; N283-N287 PolarHBondContact O-N 3.31Å; K284-N287 PolarHBondContact O-N 3.3Å; N287-L290 PolarHBondContact O-N 3.4Å; N287-N291 VanDerWaalsContact O-CB 3.23Å; N287-N291 WeakPolarHBondContact O-CB 3.35Å; N287-N291 PolarHBondContact O-N 3.43Å; N287-N291 PolarHBondContact O-ND2 2.82Å; N287-N291 PolarHBondContact O-OD1 3.44Å; N287-N312 PolarHBondContact ND2-O 3.15Å; N287-F313 HydrophobicContact CB-CB 4.02Å |
| 288 | E | 87.8 | Confident | 87.3 | Confident | 76 Ų | 76 | 43.9 Ų | 43.9 | 36% | 0.355 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62 | -46.7 | 177.3 | -74 | 176.9 | 168.8 | 0 | 0 | 112 | K284 N291 H292 F313 D314 | K284-E288 WeakPolarHBondContact CE-OE1 3.28Å; K284-E288 HydrophobicContact CG-CG 4.35Å; K284-E288 IonicContact NZ-OE1 3.19Å; K284-E288 WeakPolarHBondContact O-CB 3.33Å; K284-E288 WeakPolarHBondContact O-CG 3.42Å; K284-E288 PolarHBondContact O-N 3.16Å; E288-N291 PolarHBondContact O-N 2.91Å; E288-H292 WeakPolarHBondContact O-CB 3.4Å; E288-H292 PolarHBondContact O-N 3.22Å; E288-F313 HydrophobicContact CG-CB 4.09Å; E288-D314 PolarHBondContact OE1-N 3.26Å |
| 289 | A | 88 | Confident | 87.5 | Confident | 11 Ų | 11 | 46.1 Ų | 46.1 | 9% | 0.091 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.6 | -43 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V259 L268 S285 V286 H292 L293 | V259-A289 HydrophobicContact CG1-CB 3.54Å; L268-A289 HydrophobicContact CD1-CB 4.11Å; L268-A289 HydrophobicContact CD2-CB 3.82Å; L268-A289 HydrophobicContact CG-CB 4.49Å; S285-A289 WeakPolarHBondContact O-CB 3.47Å; S285-A289 PolarHBondContact O-N 2.98Å; V286-A289 PolarHBondContact O-N 3.28Å; A289-H292 PolarHBondContact O-N 3.02Å; A289-L293 WeakPolarHBondContact O-CG 3.5Å; A289-L293 PolarHBondContact O-N 3.41Å |
| 290 | L | 89.1 | Confident | 87.5 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.4 | -42.4 | 177.8 | -175 | 64.3 | 0 | 0 | 0 | 111.5 | L275 R276 Q279 V286 N287 H292 L293 L294 | L275-L290 HydrophobicContact CB-CD1 4.14Å; R276-L290 HydrophobicContact CG-CD1 4.48Å; Q279-L290 HydrophobicContact CG-CD2 4.28Å; V286-L290 WeakPolarHBondContact O-CB 3.25Å; V286-L290 PolarHBondContact O-N 3.05Å; N287-L290 PolarHBondContact O-N 3.4Å; L290-H292 VanDerWaalsContact C-N 3.32Å; L290-H292 PolarHBondContact O-N 3Å; L290-L293 PolarHBondContact O-N 3.39Å; L290-L294 HydrophobicContact CD1-CD1 4.34Å; L290-L294 HydrophobicContact CD1-CG 4.41Å; L290-L294 HydrophobicContact CG-CD1 3.9Å; L290-L294 HydrophobicContact CG-CG 4.4Å; L290-L294 WeakPolarHBondContact O-CB 3.47Å; L290-L294 VanDerWaalsContact O-CG 3.24Å; L290-L294 WeakPolarHBondContact O-CG 3.38Å; L290-L294 PolarHBondContact O-N 2.96Å |
| 291 | N | 88.6 | Confident | 87.6 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -38.3 | 177.6 | -68.9 | -14.8 | 0 | 0 | 0 | 111.4 | N287 E288 L294 T295 L303 S306 L318 | N287-N291 VanDerWaalsContact O-CB 3.23Å; N287-N291 WeakPolarHBondContact O-CB 3.35Å; N287-N291 PolarHBondContact O-N 3.43Å; N287-N291 PolarHBondContact O-ND2 2.82Å; N287-N291 PolarHBondContact O-OD1 3.44Å; E288-N291 PolarHBondContact O-N 2.91Å; N291-L294 PolarHBondContact O-N 3.41Å; N291-T295 WeakPolarHBondContact O-CB 3.45Å; N291-T295 PolarHBondContact O-N 3.36Å; N291-T295 PolarHBondContact O-OG1 3.47Å; N291-L303 HydrophobicContact CB-CD1 3.74Å; N291-L303 WeakPolarHBondContact OD1-CD1 3.32Å; N291-S306 PolarHBondContact OD1-OG 3.08Å; N291-L318 HydrophobicContact CB-CD1 4.11Å; N291-L318 HydrophobicContact CB-CD2 4.12Å |
| 292 | H | 87.6 | Confident | 87.7 | Confident | 85 Ų | 85 | 47.6 Ų | 47.6 | 39% | 0.394 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.1 | -48.8 | 171.8 | -172.1 | -82.8 | 0 | 0 | 0 | 111.6 | E288 A289 L290 L294 T295 E296 | E288-H292 WeakPolarHBondContact O-CB 3.4Å; E288-H292 PolarHBondContact O-N 3.22Å; A289-H292 PolarHBondContact O-N 3.02Å; L290-H292 VanDerWaalsContact C-N 3.32Å; L290-H292 PolarHBondContact O-N 3Å; H292-L294 PolarHBondContact O-N 3.42Å; H292-T295 WeakPolarHBondContact O-CB 3.36Å; H292-T295 PolarHBondContact O-N 3.17Å; H292-E296 IonicContact CE1-OE1 3.13Å; H292-E296 PolarHBondContact CE1-OE1 3.02Å; H292-E296 IonicContact CE1-OE2 3.05Å; H292-E296 IonicContact ND1-OE1 2.82Å; H292-E296 IonicContact ND1-OE2 2.62Å; H292-E296 PolarHBondContact ND1-OE2 3.44Å; H292-E296 WeakPolarHBondContact O-CG 3.23Å; H292-E296 PolarHBondContact O-N 3.27Å |
| 293 | L | 88.3 | Confident | 87.8 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.7 | -46.1 | 177.5 | -71.4 | 173.9 | 0 | 0 | 0 | 112.5 | L268 P269 L275 A289 L290 T295 E296 E297 | L268-L293 HydrophobicContact CB-CD2 4.25Å; L268-L293 HydrophobicContact CD2-CD1 3.69Å; L268-L293 HydrophobicContact CD2-CD2 3.72Å; L268-L293 HydrophobicContact CD2-CG 3.49Å; L268-L293 VanDerWaalsContact CD2-CG 3.49Å; L268-L293 HydrophobicContact CG-CD1 3.97Å; L268-L293 HydrophobicContact CG-CD2 4.25Å; L268-L293 HydrophobicContact CG-CG 4.24Å; P269-L293 HydrophobicContact CB-CD2 4.12Å; P269-L293 HydrophobicContact CG-CD2 3.7Å; L275-L293 HydrophobicContact CD1-CD1 3.7Å; A289-L293 WeakPolarHBondContact O-CG 3.5Å; A289-L293 PolarHBondContact O-N 3.41Å; L290-L293 PolarHBondContact O-N 3.39Å; L293-T295 PolarHBondContact O-N 2.97Å; L293-E296 PolarHBondContact O-N 3.27Å; L293-E297 WeakPolarHBondContact O-CB 3.48Å; L293-E297 VanDerWaalsContact O-CG 3.29Å; L293-E297 WeakPolarHBondContact O-CG 3.44Å; L293-E297 PolarHBondContact O-N 3.16Å |
| 294 | L | 87.6 | Confident | 87.7 | Confident | 4 Ų | 4 | 47.4 Ų | 47.4 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.9 | -29.2 | 179.8 | -67.1 | 167.6 | 0 | 0 | 0 | 111.9 | L290 N291 H292 E298 D299 L303 | L290-L294 HydrophobicContact CD1-CD1 4.34Å; L290-L294 HydrophobicContact CD1-CG 4.41Å; L290-L294 HydrophobicContact CG-CD1 3.9Å; L290-L294 HydrophobicContact CG-CG 4.4Å; L290-L294 WeakPolarHBondContact O-CB 3.47Å; L290-L294 VanDerWaalsContact O-CG 3.24Å; L290-L294 WeakPolarHBondContact O-CG 3.38Å; L290-L294 PolarHBondContact O-N 2.96Å; N291-L294 PolarHBondContact O-N 3.41Å; H292-L294 PolarHBondContact O-N 3.42Å; L294-E298 PolarHBondContact O-N 2.64Å; L294-D299 HydrophobicContact CD2-CB 3.96Å; L294-D299 PolarHBondContact O-N 2.94Å; L294-L303 HydrophobicContact CB-CB 4.13Å; L294-L303 HydrophobicContact CB-CD1 4.26Å; L294-L303 HydrophobicContact CD1-CB 4.37Å; L294-L303 HydrophobicContact CD1-CD1 4.37Å |
| 295 | T | 87.1 | Confident | 87.6 | Confident | 17 Ų | 17 | 46 Ų | 46 | 10% | 0.104 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.1 | -43.8 | 173.2 | -53.8 | 0 | 0 | 0 | 0 | 110.9 | N291 H292 L293 E298 L322 | N291-T295 WeakPolarHBondContact O-CB 3.45Å; N291-T295 PolarHBondContact O-N 3.36Å; N291-T295 PolarHBondContact O-OG1 3.47Å; H292-T295 WeakPolarHBondContact O-CB 3.36Å; H292-T295 PolarHBondContact O-N 3.17Å; L293-T295 PolarHBondContact O-N 2.97Å; T295-E298 PolarHBondContact O-N 3.32Å; T295-L322 HydrophobicContact CG2-CD2 3.83Å |
| 296 | E | 86.1 | Confident | 87.5 | Confident | 122 Ų | 122 | 45 Ų | 45 | 57% | 0.57 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -66.9 | -35.6 | 176.9 | -69.8 | 179.7 | 140.3 | 0 | 0 | 113.3 | H292 L293 E298 | H292-E296 IonicContact CE1-OE1 3.13Å; H292-E296 PolarHBondContact CE1-OE1 3.02Å; H292-E296 IonicContact CE1-OE2 3.05Å; H292-E296 IonicContact ND1-OE1 2.82Å; H292-E296 IonicContact ND1-OE2 2.62Å; H292-E296 PolarHBondContact ND1-OE2 3.44Å; H292-E296 WeakPolarHBondContact O-CG 3.23Å; H292-E296 PolarHBondContact O-N 3.27Å; L293-E296 PolarHBondContact O-N 3.27Å; E296-E298 VanDerWaalsContact C-N 3.27Å |
| 297 | E | 86.2 | Confident | 87.4 | Confident | 84 Ų | 84 | 45.7 Ų | 45.7 | 39% | 0.393 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -2.9 | 178.3 | -67.7 | 175.3 | 147.8 | 0 | 0 | 113.6 | K272 L293 D299 | K272-E297 WeakPolarHBondContact CD-OE1 3.38Å; K272-E297 VanDerWaalsContact CE-OE2 3.29Å; K272-E297 WeakPolarHBondContact CE-OE2 3.36Å; K272-E297 IonicContact NZ-OE1 3.46Å; K272-E297 PolarHBondContact NZ-OE1 3.43Å; K272-E297 IonicContact NZ-OE2 2.71Å; K272-E297 PolarHBondContact NZ-OE2 3.33Å; L293-E297 WeakPolarHBondContact O-CB 3.48Å; L293-E297 VanDerWaalsContact O-CG 3.29Å; L293-E297 WeakPolarHBondContact O-CG 3.44Å; L293-E297 PolarHBondContact O-N 3.16Å; E297-D299 PolarHBondContact O-N 3.27Å |
| 298 | E | 87.1 | Confident | 87.1 | Confident | 110 Ų | 110 | 49.7 Ų | 49.7 | 51% | 0.514 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.4 | 24 | -177.2 | -54.6 | -177.6 | 154.3 | 0 | 0 | 115 | L294 T295 E296 Y300 L327 F330 | L294-E298 PolarHBondContact O-N 2.64Å; T295-E298 PolarHBondContact O-N 3.32Å; E296-E298 VanDerWaalsContact C-N 3.27Å; E298-Y300 PolarHBondContact O-N 3.35Å; E298-Y300 VanDerWaalsContact O-N 3.15Å; E298-L327 HydrophobicContact CB-CD1 3.95Å; E298-L327 HydrophobicContact CG-CD1 3.95Å; E298-F330 HydrophobicContact CB-CE2 4.1Å; E298-F330 HydrophobicContact CG-CE2 4.46Å |
| 299 | D | 89.2 | Confident | 87.1 | Confident | 48 Ų | 48 | 49.2 Ų | 49.2 | 26% | 0.257 | 26% | 0.259 | S | S | . | . | trans | -86 | 82.4 | 179.2 | -174.5 | 2.1 | 0 | 0 | 0 | 111.8 | R276 L294 E297 Q301 G302 L303 | R276-D299 IonicContact NH2-OD2 3.85Å; L294-D299 HydrophobicContact CD2-CB 3.96Å; L294-D299 PolarHBondContact O-N 2.94Å; E297-D299 PolarHBondContact O-N 3.27Å; D299-Q301 VanDerWaalsContact C-N 3.34Å; D299-Q301 PolarHBondContact O-N 2.96Å; D299-Q301 PolarHBondContact OD1-N 3.13Å; D299-G302 PolarHBondContact OD1-N 3.37Å; D299-L303 WeakPolarHBondContact O-CB 3.33Å; D299-L303 PolarHBondContact O-N 3.47Å | ||
| 300 | Y | 86.6 | Confident | 87 | Confident | 93 Ų | 93 | 51.7 Ų | 51.7 | 37% | 0.365 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.6 | -31.2 | 179.1 | 62.7 | -91.2 | 0 | 0 | 0 | 113.6 | E298 R304 E329 | E298-Y300 PolarHBondContact O-N 3.35Å; E298-Y300 VanDerWaalsContact O-N 3.15Å; Y300-R304 VanDerWaalsContact O-CB 3.3Å; Y300-R304 WeakPolarHBondContact O-CB 3.47Å; Y300-R304 PolarHBondContact O-N 3.3Å; Y300-E329 HydrophobicContact CD1-CB 4.38Å; Y300-E329 HydrophobicContact CD1-CG 4.37Å; Y300-E329 HydrophobicContact CD2-CB 4.35Å; Y300-E329 HydrophobicContact CD2-CG 4.35Å; Y300-E329 HydrophobicContact CG-CB 3.99Å; Y300-E329 HydrophobicContact CG-CG 4.25Å |
| 301 | Q | 87 | Confident | 86.9 | Confident | 127 Ų | 127 | 57.3 Ų | 57.3 | 59% | 0.593 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -72.4 | -45.6 | -179.6 | -60.5 | -175 | 3.5 | 0 | 0 | 110.5 | D299 L303 R304 A305 | D299-Q301 VanDerWaalsContact C-N 3.34Å; D299-Q301 PolarHBondContact O-N 2.96Å; D299-Q301 PolarHBondContact OD1-N 3.13Å; Q301-L303 VanDerWaalsContact C-N 3.35Å; Q301-R304 PolarHBondContact O-N 3.04Å; Q301-A305 PolarHBondContact O-N 2.87Å |
| 302 | G | 85.9 | Confident | 86.9 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 20% | 0.196 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -60.6 | -44.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D299 R304 A305 S306 | D299-G302 PolarHBondContact OD1-N 3.37Å; G302-R304 VanDerWaalsContact C-N 3.32Å; G302-R304 PolarHBondContact O-N 3.23Å; G302-A305 PolarHBondContact O-N 3.04Å; G302-S306 WeakPolarHBondContact O-CB 3.42Å; G302-S306 PolarHBondContact O-N 3.1Å |
| 303 | L | 88.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 177.9 | -176 | 65.3 | 0 | 0 | 0 | 111.4 | N291 L294 D299 Q301 S306 I307 L322 F330 I333 | N291-L303 HydrophobicContact CB-CD1 3.74Å; N291-L303 WeakPolarHBondContact OD1-CD1 3.32Å; L294-L303 HydrophobicContact CB-CB 4.13Å; L294-L303 HydrophobicContact CB-CD1 4.26Å; L294-L303 HydrophobicContact CD1-CB 4.37Å; L294-L303 HydrophobicContact CD1-CD1 4.37Å; D299-L303 WeakPolarHBondContact O-CB 3.33Å; D299-L303 PolarHBondContact O-N 3.47Å; Q301-L303 VanDerWaalsContact C-N 3.35Å; L303-S306 WeakPolarHBondContact O-CB 3.38Å; L303-S306 PolarHBondContact O-N 3.42Å; L303-I307 HydrophobicContact CD1-CD1 3.91Å; L303-I307 HydrophobicContact CD1-CG1 4.36Å; L303-I307 HydrophobicContact CD2-CD1 4.4Å; L303-I307 HydrophobicContact CG-CD1 3.75Å; L303-I307 WeakPolarHBondContact O-CD1 3.41Å; L303-I307 VanDerWaalsContact O-CG1 3.28Å; L303-I307 WeakPolarHBondContact O-CG1 3.41Å; L303-I307 PolarHBondContact O-N 3.29Å; L303-L322 HydrophobicContact CD2-CD1 4.24Å; L303-L322 HydrophobicContact CD2-CD2 4.17Å; L303-F330 HydrophobicContact CB-CE1 4.49Å; L303-F330 HydrophobicContact CD2-CD1 3.72Å; L303-F330 HydrophobicContact CD2-CE1 3.56Å; L303-I333 HydrophobicContact CD2-CD1 4.13Å; L303-I333 HydrophobicContact CD2-CG2 4.26Å |
| 304 | R | 86.1 | Confident | 86.8 | Confident | 75 Ų | 75 | 60.1 Ų | 60.1 | 28% | 0.283 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.5 | -48.6 | -179.9 | -176.6 | 60.7 | -172.6 | -145.7 | 2.1 | 112.5 | Y300 Q301 G302 S306 I307 D308 Y336 | Y300-R304 VanDerWaalsContact O-CB 3.3Å; Y300-R304 WeakPolarHBondContact O-CB 3.47Å; Y300-R304 PolarHBondContact O-N 3.3Å; Q301-R304 PolarHBondContact O-N 3.04Å; G302-R304 VanDerWaalsContact C-N 3.32Å; G302-R304 PolarHBondContact O-N 3.23Å; R304-S306 VanDerWaalsContact C-N 3.28Å; R304-S306 PolarHBondContact O-N 3.11Å; R304-I307 PolarHBondContact O-N 3.17Å; R304-D308 IonicContact CZ-OD1 2.7Å; R304-D308 IonicContact CZ-OD2 2.82Å; R304-D308 IonicContact NE-OD1 3.29Å; R304-D308 PolarHBondContact NE-OD1 3.43Å; R304-D308 IonicContact NE-OD2 3.62Å; R304-D308 PolarHBondContact NE-OD2 2.84Å; R304-D308 IonicContact NH2-OD1 2.61Å; R304-D308 IonicContact NH2-OD2 2.64Å; R304-D308 WeakPolarHBondContact O-CB 3.37Å; R304-D308 PolarHBondContact O-N 3.34Å; R304-Y336 VanDerWaalsContact CZ-CD1 3.46Å; R304-Y336 VanDerWaalsContact CZ-CZ 3.48Å; R304-Y336 VanDerWaalsContact NH1-CE1 3.33Å; R304-Y336 VanDerWaalsContact NH2-CE1 3.26Å; R304-Y336 PolarHBondContact NH2-OH 3.12Å; R304-Y336 VanDerWaalsContact NH2-OH 3.15Å |
| 305 | A | 87.5 | Confident | 86.7 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 51% | 0.512 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.9 | -37 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q301 G302 A309 | Q301-A305 PolarHBondContact O-N 2.87Å; G302-A305 PolarHBondContact O-N 3.04Å; A305-A309 WeakPolarHBondContact O-CB 3.47Å; A305-A309 PolarHBondContact O-N 2.62Å |
| 306 | S | 86.9 | Confident | 86.6 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 4% | 0.042 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59 | -51.6 | 174.6 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | Q279 N291 G302 L303 R304 Y310 | Q279-S306 PolarHBondContact NE2-OG 3Å; N291-S306 PolarHBondContact OD1-OG 3.08Å; G302-S306 WeakPolarHBondContact O-CB 3.42Å; G302-S306 PolarHBondContact O-N 3.1Å; L303-S306 WeakPolarHBondContact O-CB 3.38Å; L303-S306 PolarHBondContact O-N 3.42Å; R304-S306 VanDerWaalsContact C-N 3.28Å; R304-S306 PolarHBondContact O-N 3.11Å; S306-Y310 PolarHBondContact O-N 2.93Å |
| 307 | I | 84.8 | Confident | 86.7 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.3 | -43.1 | -178.6 | -69.4 | 165.7 | 0 | 0 | 0 | 111.9 | L303 R304 A309 F313 L318 I333 L337 | L303-I307 HydrophobicContact CD1-CD1 3.91Å; L303-I307 HydrophobicContact CD1-CG1 4.36Å; L303-I307 HydrophobicContact CD2-CD1 4.4Å; L303-I307 HydrophobicContact CG-CD1 3.75Å; L303-I307 WeakPolarHBondContact O-CD1 3.41Å; L303-I307 VanDerWaalsContact O-CG1 3.28Å; L303-I307 WeakPolarHBondContact O-CG1 3.41Å; L303-I307 PolarHBondContact O-N 3.29Å; R304-I307 PolarHBondContact O-N 3.17Å; I307-A309 VanDerWaalsContact C-N 3.26Å; I307-A309 PolarHBondContact O-N 3.04Å; I307-F313 HydrophobicContact CB-CE1 4.4Å; I307-F313 HydrophobicContact CB-CZ 4.23Å; I307-F313 HydrophobicContact CG1-CE1 4.17Å; I307-F313 HydrophobicContact CG1-CZ 3.82Å; I307-F313 HydrophobicContact CG2-CE1 4.14Å; I307-F313 HydrophobicContact CG2-CZ 3.75Å; I307-L318 HydrophobicContact CD1-CD2 4.19Å; I307-I333 HydrophobicContact CD1-CG2 3.93Å; I307-L337 HydrophobicContact CD1-CD1 4.38Å; I307-L337 HydrophobicContact CD1-CD2 4.21Å; I307-L337 HydrophobicContact CG2-CD2 3.85Å |
| 308 | D | 84.5 | Confident | 86.7 | Confident | 85 Ų | 85 | 56.2 Ų | 56.2 | 46% | 0.455 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68.7 | -27.8 | -176.7 | -74.5 | -26.7 | 0 | 0 | 0 | 112 | R304 Y336 | R304-D308 IonicContact CZ-OD1 2.7Å; R304-D308 IonicContact CZ-OD2 2.82Å; R304-D308 IonicContact NE-OD1 3.29Å; R304-D308 PolarHBondContact NE-OD1 3.43Å; R304-D308 IonicContact NE-OD2 3.62Å; R304-D308 PolarHBondContact NE-OD2 2.84Å; R304-D308 IonicContact NH2-OD1 2.61Å; R304-D308 IonicContact NH2-OD2 2.64Å; R304-D308 WeakPolarHBondContact O-CB 3.37Å; R304-D308 PolarHBondContact O-N 3.34Å; D308-Y336 WeakPolarHBondContact OD1-CE1 3.27Å; D308-Y336 PolarHBondContact OD1-OH 3.42Å |
| 309 | A | 86.9 | Confident | 86.6 | Confident | 66 Ų | 66 | 51 Ų | 51 | 55% | 0.545 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -88.9 | -31.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | A305 I307 | A305-A309 WeakPolarHBondContact O-CB 3.47Å; A305-A309 PolarHBondContact O-N 2.62Å; I307-A309 VanDerWaalsContact C-N 3.26Å; I307-A309 PolarHBondContact O-N 3.04Å |
| 310 | Y | 86.9 | Confident | 86.5 | Confident | 62 Ų | 62 | 53.2 Ų | 53.2 | 24% | 0.243 | 29% | 0.286 | C | S | . | . | trans | -134.5 | 113.3 | -170.9 | -54.7 | -74.6 | 0 | 0 | 0 | 111.5 | Q279 N282 S306 F313 | Q279-Y310 HydrophobicContact CB-CD2 4.45Å; Q279-Y310 HydrophobicContact CB-CE2 3.99Å; Q279-Y310 HydrophobicContact CG-CD1 4.5Å; Q279-Y310 HydrophobicContact CG-CD2 3.45Å; Q279-Y310 VanDerWaalsContact CG-CD2 3.45Å; Q279-Y310 HydrophobicContact CG-CE2 3.46Å; Q279-Y310 VanDerWaalsContact CG-CE2 3.46Å; Q279-Y310 HydrophobicContact CG-CG 3.96Å; Q279-Y310 WeakPolarHBondContact O-CD1 3.32Å; Q279-Y310 WeakPolarHBondContact O-CE1 3.08Å; N282-Y310 HydrophobicContact CB-CD1 4.23Å; S306-Y310 PolarHBondContact O-N 2.93Å; Y310-F313 WeakPolarHBondContact O-CD1 3.15Å; Y310-F313 VanDerWaalsContact O-CE1 3.3Å; Y310-F313 WeakPolarHBondContact O-CE1 3.49Å | ||
| 311 | D | 85.4 | Confident | 86.4 | Confident | 121 Ų | 121 | 53.8 Ų | 53.8 | 65% | 0.647 | 29% | 0.292 | S | S | * | . | trans | -97.4 | -7.4 | -168.9 | 62.2 | -13.5 | 0 | 0 | 0 | 114.9 | N282 F313 | N282-D311 PolarHBondContact ND2-OD1 3.22Å; D311-F313 PolarHBondContact O-N 3.25Å | ||
| 312 | N | 88.9 | Confident | 86.4 | Confident | 69 Ų | 69 | 47.7 Ų | 47.7 | 37% | 0.369 | 26% | 0.263 | S | S | . | . | trans | -83.8 | 81.3 | -177.4 | -170.5 | 15.7 | 0 | 0 | 0 | 111 | N282 K284 N287 | N282-N312 WeakPolarHBondContact O-CB 3.33Å; N282-N312 PolarHBondContact O-ND2 3.23Å; N282-N312 WeakPolarHBondContact OD1-CB 3.39Å; N282-N312 PolarHBondContact OD1-N 3.16Å; K284-N312 VanDerWaalsContact CA-O 3.28Å; K284-N312 WeakPolarHBondContact CA-O 3.27Å; K284-N312 PolarHBondContact N-ND2 2.93Å; N287-N312 PolarHBondContact ND2-O 3.15Å | ||
| 313 | F | 87.6 | Confident | 86.3 | Confident | 19 Ų | 19 | 49.9 Ų | 49.9 | 8% | 0.083 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -156.8 | 171.7 | 170.2 | 62.2 | -85.3 | 0 | 0 | 0 | 110.6 | N287 E288 I307 Y310 D311 N315 L318 L337 | N287-F313 HydrophobicContact CB-CB 4.02Å; E288-F313 HydrophobicContact CG-CB 4.09Å; I307-F313 HydrophobicContact CB-CE1 4.4Å; I307-F313 HydrophobicContact CB-CZ 4.23Å; I307-F313 HydrophobicContact CG1-CE1 4.17Å; I307-F313 HydrophobicContact CG1-CZ 3.82Å; I307-F313 HydrophobicContact CG2-CE1 4.14Å; I307-F313 HydrophobicContact CG2-CZ 3.75Å; Y310-F313 WeakPolarHBondContact O-CD1 3.15Å; Y310-F313 VanDerWaalsContact O-CE1 3.3Å; Y310-F313 WeakPolarHBondContact O-CE1 3.49Å; D311-F313 PolarHBondContact O-N 3.25Å; F313-N315 HydrophobicContact CE2-CB 4.47Å; F313-N315 WeakPolarHBondContact CE2-OD1 3.37Å; F313-N315 WeakPolarHBondContact CZ-OD1 3.16Å; F313-N315 PolarHBondContact O-N 2.98Å; F313-L318 HydrophobicContact CD2-CD2 3.89Å; F313-L318 HydrophobicContact CE2-CD2 3.57Å; F313-L318 HydrophobicContact CZ-CD2 4.48Å; F313-L337 HydrophobicContact CE2-CD2 3.97Å; F313-L337 HydrophobicContact CZ-CD2 3.83Å |
| 314 | D | 86.9 | Confident | 86.2 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 32% | 0.316 | 31% | 0.306 | S | S | . | . | trans | -80.9 | 94.6 | 174.7 | -175 | 4 | 0 | 0 | 0 | 112 | E288 I316 S317 L318 | E288-D314 PolarHBondContact OE1-N 3.26Å; D314-I316 PolarHBondContact O-N 3.49Å; D314-I316 PolarHBondContact OD1-N 3.38Å; D314-I316 VanDerWaalsContact OD1-N 3.15Å; D314-S317 WeakPolarHBondContact CB-OG 2.88Å; D314-S317 PolarHBondContact O-OG 3.41Å; D314-S317 PolarHBondContact OD1-N 3.18Å; D314-S317 WeakPolarHBondContact OD2-CB 3.4Å; D314-S317 PolarHBondContact OD2-OG 2.94Å; D314-L318 WeakPolarHBondContact O-CB 3.37Å; D314-L318 PolarHBondContact O-N 3.43Å | ||
| 315 | N | 84.8 | Confident | 86 | Confident | 38 Ų | 38 | 57 Ų | 57 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.8 | -35.6 | 178.7 | -62.9 | -23.2 | 0 | 0 | 0 | 113.1 | F313 A319 N341 | F313-N315 HydrophobicContact CE2-CB 4.47Å; F313-N315 WeakPolarHBondContact CE2-OD1 3.37Å; F313-N315 WeakPolarHBondContact CZ-OD1 3.16Å; F313-N315 PolarHBondContact O-N 2.98Å; N315-A319 VanDerWaalsContact O-CB 3.22Å; N315-A319 WeakPolarHBondContact O-CB 3.25Å; N315-A319 PolarHBondContact O-N 3.41Å; N315-N341 PolarHBondContact ND2-OD1 2.87Å |
| 316 | I | 85.5 | Confident | 85.7 | Confident | 51 Ų | 51 | 63.1 Ų | 63.1 | 26% | 0.262 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -78.4 | -50.2 | -170.3 | -66.4 | 165.2 | 0 | 0 | 0 | 110.2 | D314 L318 A319 Q320 N341 W343 | D314-I316 PolarHBondContact O-N 3.49Å; D314-I316 PolarHBondContact OD1-N 3.38Å; D314-I316 VanDerWaalsContact OD1-N 3.15Å; I316-L318 VanDerWaalsContact C-N 3.31Å; I316-L318 PolarHBondContact O-N 3Å; I316-A319 PolarHBondContact O-N 3.01Å; I316-Q320 WeakPolarHBondContact O-CG 3.29Å; I316-Q320 PolarHBondContact O-N 3.18Å; I316-N341 WeakPolarHBondContact CG1-ND2 3.35Å; I316-W343 HydrophobicContact CB-CH2 4.23Å; I316-W343 HydrophobicContact CB-CZ3 4.32Å; I316-W343 HydrophobicContact CD1-CH2 3.5Å; I316-W343 HydrophobicContact CD1-CZ2 3.67Å; I316-W343 HydrophobicContact CD1-CZ3 4.27Å; I316-W343 HydrophobicContact CG1-CH2 3.64Å; I316-W343 HydrophobicContact CG1-CZ2 4.14Å; I316-W343 HydrophobicContact CG1-CZ3 3.89Å; I316-W343 HydrophobicContact CG2-CH2 3.55Å; I316-W343 HydrophobicContact CG2-CZ3 3.61Å |
| 317 | S | 87.1 | Confident | 85.5 | Confident | 44 Ų | 44 | 65.4 Ų | 65.4 | 31% | 0.308 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 179.7 | 59.6 | 0 | 0 | 0 | 0 | 111.5 | D314 Q320 Q321 | D314-S317 WeakPolarHBondContact CB-OG 2.88Å; D314-S317 PolarHBondContact O-OG 3.41Å; D314-S317 PolarHBondContact OD1-N 3.18Å; D314-S317 WeakPolarHBondContact OD2-CB 3.4Å; D314-S317 PolarHBondContact OD2-OG 2.94Å; S317-Q320 PolarHBondContact O-N 3.35Å; S317-Q321 WeakPolarHBondContact O-CG 3.48Å; S317-Q321 PolarHBondContact O-N 3.19Å; S317-Q321 VanDerWaalsContact O-N 3.11Å |
| 318 | L | 86.6 | Confident | 85.4 | Confident | 11 Ų | 11 | 68.6 Ų | 68.6 | 6% | 0.058 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 174 | -174.1 | 64.6 | 0 | 0 | 0 | 111.5 | N291 I307 F313 D314 I316 Q320 Q321 L322 L337 | N291-L318 HydrophobicContact CB-CD1 4.11Å; N291-L318 HydrophobicContact CB-CD2 4.12Å; I307-L318 HydrophobicContact CD1-CD2 4.19Å; F313-L318 HydrophobicContact CD2-CD2 3.89Å; F313-L318 HydrophobicContact CE2-CD2 3.57Å; F313-L318 HydrophobicContact CZ-CD2 4.48Å; D314-L318 WeakPolarHBondContact O-CB 3.37Å; D314-L318 PolarHBondContact O-N 3.43Å; I316-L318 VanDerWaalsContact C-N 3.31Å; I316-L318 PolarHBondContact O-N 3Å; L318-Q320 VanDerWaalsContact C-N 3.32Å; L318-Q320 PolarHBondContact O-N 2.95Å; L318-Q321 WeakPolarHBondContact O-CB 3.25Å; L318-Q321 PolarHBondContact O-N 3.28Å; L318-Q321 VanDerWaalsContact O-N 3.14Å; L318-L322 HydrophobicContact CD1-CD1 4.38Å; L318-L322 HydrophobicContact CD1-CG 4.38Å; L318-L322 HydrophobicContact CG-CD1 3.97Å; L318-L322 HydrophobicContact CG-CG 4.37Å; L318-L322 VanDerWaalsContact O-CG 3.3Å; L318-L322 WeakPolarHBondContact O-CG 3.35Å; L318-L322 PolarHBondContact O-N 3.27Å; L318-L337 HydrophobicContact CB-CD1 4.41Å; L318-L337 HydrophobicContact CD2-CD1 3.86Å; L318-L337 HydrophobicContact CG-CD1 4.03Å |
| 319 | A | 85 | Confident | 85.3 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.1 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | N315 I316 Q321 L322 E323 L337 Y338 | N315-A319 VanDerWaalsContact O-CB 3.22Å; N315-A319 WeakPolarHBondContact O-CB 3.25Å; N315-A319 PolarHBondContact O-N 3.41Å; I316-A319 PolarHBondContact O-N 3.01Å; A319-Q321 VanDerWaalsContact C-N 3.32Å; A319-Q321 PolarHBondContact O-N 3.47Å; A319-L322 PolarHBondContact O-N 3.23Å; A319-E323 PolarHBondContact O-N 2.99Å; A319-L337 HydrophobicContact CB-CB 4.05Å; A319-L337 HydrophobicContact CB-CD1 4.29Å; A319-Y338 HydrophobicContact CB-CD1 3.96Å; A319-Y338 HydrophobicContact CB-CD2 4.21Å; A319-Y338 HydrophobicContact CB-CE1 3.59Å; A319-Y338 HydrophobicContact CB-CE2 3.87Å; A319-Y338 HydrophobicContact CB-CG 4.26Å |
| 320 | Q | 87.1 | Confident | 85.1 | Confident | 96 Ų | 96 | 65.3 Ų | 65.3 | 45% | 0.449 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.6 | -32.8 | 175.8 | -72.3 | 177.9 | 2.6 | 0 | 0 | 113.5 | I316 S317 L318 Y338 | I316-Q320 WeakPolarHBondContact O-CG 3.29Å; I316-Q320 PolarHBondContact O-N 3.18Å; S317-Q320 PolarHBondContact O-N 3.35Å; L318-Q320 VanDerWaalsContact C-N 3.32Å; L318-Q320 PolarHBondContact O-N 2.95Å; Q320-Y338 WeakPolarHBondContact CG-OH 3.33Å |
| 321 | Q | 85.9 | Confident | 85 | Confident | 104 Ų | 104 | 64.5 Ų | 64.5 | 49% | 0.486 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -70.4 | -46.4 | 173.8 | -72.6 | 177.8 | -7.9 | 0 | 0 | 110.8 | S317 L318 A319 E323 K324 | S317-Q321 WeakPolarHBondContact O-CG 3.48Å; S317-Q321 PolarHBondContact O-N 3.19Å; S317-Q321 VanDerWaalsContact O-N 3.11Å; L318-Q321 WeakPolarHBondContact O-CB 3.25Å; L318-Q321 PolarHBondContact O-N 3.28Å; L318-Q321 VanDerWaalsContact O-N 3.14Å; A319-Q321 VanDerWaalsContact C-N 3.32Å; A319-Q321 PolarHBondContact O-N 3.47Å; Q321-E323 VanDerWaalsContact C-N 3.34Å; Q321-E323 PolarHBondContact O-N 3.23Å; Q321-K324 PolarHBondContact O-N 3.11Å |
| 322 | L | 85.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -67 | -30.9 | -179.1 | -66 | 175.9 | 0 | 0 | 0 | 113.1 | T295 L303 L318 A319 K324 H325 F330 I333 A334 L337 | T295-L322 HydrophobicContact CG2-CD2 3.83Å; L303-L322 HydrophobicContact CD2-CD1 4.24Å; L303-L322 HydrophobicContact CD2-CD2 4.17Å; L318-L322 HydrophobicContact CD1-CD1 4.38Å; L318-L322 HydrophobicContact CD1-CG 4.38Å; L318-L322 HydrophobicContact CG-CD1 3.97Å; L318-L322 HydrophobicContact CG-CG 4.37Å; L318-L322 VanDerWaalsContact O-CG 3.3Å; L318-L322 WeakPolarHBondContact O-CG 3.35Å; L318-L322 PolarHBondContact O-N 3.27Å; A319-L322 PolarHBondContact O-N 3.23Å; L322-K324 PolarHBondContact O-N 3.08Å; L322-H325 WeakPolarHBondContact O-CB 3.17Å; L322-H325 PolarHBondContact O-N 3.1Å; L322-H325 VanDerWaalsContact O-N 3.13Å; L322-F330 HydrophobicContact CD2-CB 3.98Å; L322-F330 HydrophobicContact CD2-CD1 3.64Å; L322-F330 HydrophobicContact CD2-CE1 4.48Å; L322-F330 HydrophobicContact CD2-CG 4.05Å; L322-I333 HydrophobicContact CD1-CB 4.45Å; L322-I333 HydrophobicContact CD1-CG2 3.93Å; L322-A334 HydrophobicContact CB-CB 3.7Å; L322-L337 HydrophobicContact CD1-CD1 3.82Å |
| 323 | E | 84.4 | Confident | 84.6 | Confident | 64 Ų | 64 | 57.7 Ų | 57.7 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -57.8 | -32.7 | 174.1 | 166.2 | 166.3 | -161.1 | 0 | 0 | 112.6 | A319 Q321 H325 L350 K353 | A319-E323 PolarHBondContact O-N 2.99Å; Q321-E323 VanDerWaalsContact C-N 3.34Å; Q321-E323 PolarHBondContact O-N 3.23Å; E323-H325 VanDerWaalsContact C-N 3.32Å; E323-L350 HydrophobicContact CB-CD1 3.98Å; E323-L350 HydrophobicContact CG-CD1 3.51Å; E323-K353 IonicContact OE1-NZ 2.65Å; E323-K353 PolarHBondContact OE1-NZ 2.7Å |
| 324 | K | 85.1 | Confident | 84.5 | Confident | 181 Ų | 181 | 56.8 Ų | 56.8 | 79% | 0.787 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -4.4 | -178 | -62.5 | 177.2 | -173.8 | 172.6 | 0 | 113.2 | Q321 L322 | Q321-K324 PolarHBondContact O-N 3.11Å; L322-K324 PolarHBondContact O-N 3.08Å |
| 325 | H | 83.9 | Confident | 84.3 | Confident | 45 Ų | 45 | 54.1 Ų | 54.1 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | trans | -72.7 | 148.5 | -175.3 | -149.7 | -89 | 0 | 0 | 0 | 111.6 | L322 E323 L327 F330 R331 | L322-H325 WeakPolarHBondContact O-CB 3.17Å; L322-H325 PolarHBondContact O-N 3.1Å; L322-H325 VanDerWaalsContact O-N 3.13Å; E323-H325 VanDerWaalsContact C-N 3.32Å; H325-L327 PolarHBondContact ND1-N 2.73Å; H325-F330 HydrophobicContact CB-CB 4.02Å; H325-F330 AromaticContact CE1-CD2 3.77Å; H325-F330 AromaticContact ND1-CD2 3.49Å; H325-F330 WeakPolarHBondContact ND1-CD2 3.47Å; H325-R331 WeakPolarHBondContact O-CD 3.43Å | ||
| 326 | Q | 79.3 | Confident | 84.2 | Confident | 190 Ų | 190 | 55.7 Ų | 55.7 | 89% | 0.888 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -74 | -30.4 | -177.2 | -62.8 | -178.3 | 14.4 | 0 | 0 | 112.5 | ||
| 327 | L | 84.6 | Confident | 84.2 | Confident | 54 Ų | 54 | 53.7 Ų | 53.7 | 28% | 0.283 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -79.5 | 137.4 | -179.2 | -64.4 | 174.1 | 0 | 0 | 0 | 111.7 | E298 H325 F330 | E298-L327 HydrophobicContact CB-CD1 3.95Å; E298-L327 HydrophobicContact CG-CD1 3.95Å; H325-L327 PolarHBondContact ND1-N 2.73Å; L327-F330 HydrophobicContact CB-CD2 4Å; L327-F330 HydrophobicContact CD1-CD2 3.99Å; L327-F330 HydrophobicContact CD1-CE2 3.88Å |
| 328 | M | 82.1 | Confident | 84.1 | Confident | 82 Ų | 82 | 51.9 Ų | 51.9 | 40% | 0.404 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -68.2 | -35.2 | -179.2 | -62.1 | -65.3 | -68.3 | 0 | 0 | 111.8 | F330 R331 C332 D354 | M328-F330 VanDerWaalsContact C-N 3.33Å; M328-F330 PolarHBondContact O-N 2.95Å; M328-R331 PolarHBondContact O-N 3.36Å; M328-C332 PolarHBondContact O-N 3.32Å; M328-C332 PolarHBondContact O-SG 2.88Å; M328-D354 HydrophobicContact CE-CB 3.56Å; M328-D354 WeakPolarHBondContact CE-OD1 3.4Å |
| 329 | E | 81.3 | Confident | 83.9 | Confident | 82 Ų | 82 | 53.3 Ų | 53.3 | 38% | 0.383 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.4 | -39.9 | -178.3 | -61.8 | 97.2 | 164.7 | 0 | 0 | 112.1 | Y300 C332 I333 | Y300-E329 HydrophobicContact CD1-CB 4.38Å; Y300-E329 HydrophobicContact CD1-CG 4.37Å; Y300-E329 HydrophobicContact CD2-CB 4.35Å; Y300-E329 HydrophobicContact CD2-CG 4.35Å; Y300-E329 HydrophobicContact CG-CB 3.99Å; Y300-E329 HydrophobicContact CG-CG 4.25Å; E329-C332 WeakPolarHBondContact O-CB 3.47Å; E329-C332 PolarHBondContact O-N 2.97Å; E329-I333 WeakPolarHBondContact O-CG1 3.48Å; E329-I333 PolarHBondContact O-N 2.88Å |
| 330 | F | 84.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.4 | -36.5 | 176.3 | -75.7 | -59.1 | 0 | 0 | 0 | 112.6 | E298 L303 L322 H325 L327 M328 C332 I333 A334 | E298-F330 HydrophobicContact CB-CE2 4.1Å; E298-F330 HydrophobicContact CG-CE2 4.46Å; L303-F330 HydrophobicContact CB-CE1 4.49Å; L303-F330 HydrophobicContact CD2-CD1 3.72Å; L303-F330 HydrophobicContact CD2-CE1 3.56Å; L322-F330 HydrophobicContact CD2-CB 3.98Å; L322-F330 HydrophobicContact CD2-CD1 3.64Å; L322-F330 HydrophobicContact CD2-CE1 4.48Å; L322-F330 HydrophobicContact CD2-CG 4.05Å; H325-F330 HydrophobicContact CB-CB 4.02Å; H325-F330 AromaticContact CE1-CD2 3.77Å; H325-F330 AromaticContact ND1-CD2 3.49Å; H325-F330 WeakPolarHBondContact ND1-CD2 3.47Å; L327-F330 HydrophobicContact CB-CD2 4Å; L327-F330 HydrophobicContact CD1-CD2 3.99Å; L327-F330 HydrophobicContact CD1-CE2 3.88Å; M328-F330 VanDerWaalsContact C-N 3.33Å; M328-F330 PolarHBondContact O-N 2.95Å; F330-C332 VanDerWaalsContact C-N 3.34Å; F330-I333 HydrophobicContact CD1-CD1 4.22Å; F330-I333 PolarHBondContact O-N 3.15Å; F330-A334 PolarHBondContact O-N 3.44Å |
| 331 | R | 83.1 | Confident | 83.4 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 17% | 0.17 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.7 | -37.3 | 173.3 | -64.9 | 177.1 | 64.5 | -160 | -7.1 | 111.4 | H325 M328 I333 A334 A335 L350 D354 | H325-R331 WeakPolarHBondContact O-CD 3.43Å; M328-R331 PolarHBondContact O-N 3.36Å; R331-I333 VanDerWaalsContact C-N 3.34Å; R331-I333 PolarHBondContact O-N 3.36Å; R331-A334 WeakPolarHBondContact O-CB 3.4Å; R331-A334 PolarHBondContact O-N 3.29Å; R331-A334 VanDerWaalsContact O-N 3.17Å; R331-A335 PolarHBondContact O-N 2.88Å; R331-L350 HydrophobicContact CB-CD2 4.32Å; R331-L350 WeakPolarHBondContact O-CD2 3.26Å; R331-D354 IonicContact CZ-OD1 3.06Å; R331-D354 IonicContact CZ-OD2 2.58Å; R331-D354 IonicContact NE-OD1 3.72Å; R331-D354 PolarHBondContact NE-OD1 3.02Å; R331-D354 IonicContact NE-OD2 3.12Å; R331-D354 PolarHBondContact NE-OD2 2.87Å; R331-D354 IonicContact NH1-OD1 2.7Å; R331-D354 PolarHBondContact NH1-OD1 3.32Å; R331-D354 IonicContact NH1-OD2 3.35Å; R331-D354 IonicContact NH2-OD1 3.59Å; R331-D354 PolarHBondContact NH2-OD1 3.11Å; R331-D354 IonicContact NH2-OD2 3.66Å; R331-D354 PolarHBondContact NH2-OD2 3.34Å |
| 332 | C | 82.2 | Confident | 83.2 | Confident | 35 Ų | 35 | 54.6 Ų | 54.6 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 171.6 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | M328 E329 F330 A334 A335 Y336 L356 | M328-C332 PolarHBondContact O-N 3.32Å; M328-C332 PolarHBondContact O-SG 2.88Å; E329-C332 WeakPolarHBondContact O-CB 3.47Å; E329-C332 PolarHBondContact O-N 2.97Å; F330-C332 VanDerWaalsContact C-N 3.34Å; C332-A334 VanDerWaalsContact C-N 3.32Å; C332-A334 PolarHBondContact O-N 3.49Å; C332-A335 PolarHBondContact O-N 3.15Å; C332-Y336 PolarHBondContact O-N 3.17Å; C332-L356 HydrophobicContact CB-CD2 4.35Å; C332-L356 WeakPolarHBondContact SG-CD2 3.25Å |
| 333 | I | 84.3 | Confident | 83 | Confident | 12 Ų | 12 | 59.3 Ų | 59.3 | 6% | 0.062 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -39.1 | 173.7 | -65.5 | 167.2 | 0 | 0 | 0 | 110.7 | L303 I307 L322 E329 F330 R331 Y336 L337 | L303-I333 HydrophobicContact CD2-CD1 4.13Å; L303-I333 HydrophobicContact CD2-CG2 4.26Å; I307-I333 HydrophobicContact CD1-CG2 3.93Å; L322-I333 HydrophobicContact CD1-CB 4.45Å; L322-I333 HydrophobicContact CD1-CG2 3.93Å; E329-I333 WeakPolarHBondContact O-CG1 3.48Å; E329-I333 PolarHBondContact O-N 2.88Å; F330-I333 HydrophobicContact CD1-CD1 4.22Å; F330-I333 PolarHBondContact O-N 3.15Å; R331-I333 VanDerWaalsContact C-N 3.34Å; R331-I333 PolarHBondContact O-N 3.36Å; I333-Y336 WeakPolarHBondContact O-CB 3.37Å; I333-Y336 PolarHBondContact O-N 3.19Å; I333-L337 HydrophobicContact CG2-CD1 4.34Å; I333-L337 HydrophobicContact CG2-CG 4.46Å; I333-L337 WeakPolarHBondContact O-CG 3.27Å; I333-L337 PolarHBondContact O-N 3Å |
| 334 | A | 84.7 | Confident | 82.9 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L322 F330 R331 C332 Y336 L337 Y338 L350 | L322-A334 HydrophobicContact CB-CB 3.7Å; F330-A334 PolarHBondContact O-N 3.44Å; R331-A334 WeakPolarHBondContact O-CB 3.4Å; R331-A334 PolarHBondContact O-N 3.29Å; R331-A334 VanDerWaalsContact O-N 3.17Å; C332-A334 VanDerWaalsContact C-N 3.32Å; C332-A334 PolarHBondContact O-N 3.49Å; A334-Y336 VanDerWaalsContact C-N 3.28Å; A334-Y336 PolarHBondContact O-N 3.3Å; A334-L337 PolarHBondContact O-N 2.99Å; A334-Y338 VanDerWaalsContact O-CD2 3.26Å; A334-Y338 WeakPolarHBondContact O-CD2 3.21Å; A334-Y338 PolarHBondContact O-N 3.28Å; A334-L350 HydrophobicContact CB-CD2 3.89Å |
| 335 | A | 82.9 | Confident | 82.7 | Confident | 3 Ų | 3 | 52.3 Ų | 52.3 | 3% | 0.025 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.3 | -40.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | R331 C332 Y338 K339 S347 L350 | R331-A335 PolarHBondContact O-N 2.88Å; C332-A335 PolarHBondContact O-N 3.15Å; A335-Y338 PolarHBondContact O-N 3.4Å; A335-K339 WeakPolarHBondContact O-CB 3.36Å; A335-K339 PolarHBondContact O-N 3.42Å; A335-S347 PolarHBondContact O-OG 2.96Å; A335-L350 HydrophobicContact CB-CD2 4Å |
| 336 | Y | 84.4 | Confident | 82.6 | Confident | 71 Ų | 71 | 54.4 Ų | 54.4 | 28% | 0.278 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 175.2 | 175.9 | -101.4 | 0 | 0 | 0 | 113 | R304 D308 C332 I333 A334 K339 G340 | R304-Y336 VanDerWaalsContact CZ-CD1 3.46Å; R304-Y336 VanDerWaalsContact CZ-CZ 3.48Å; R304-Y336 VanDerWaalsContact NH1-CE1 3.33Å; R304-Y336 VanDerWaalsContact NH2-CE1 3.26Å; R304-Y336 PolarHBondContact NH2-OH 3.12Å; R304-Y336 VanDerWaalsContact NH2-OH 3.15Å; D308-Y336 WeakPolarHBondContact OD1-CE1 3.27Å; D308-Y336 PolarHBondContact OD1-OH 3.42Å; C332-Y336 PolarHBondContact O-N 3.17Å; I333-Y336 WeakPolarHBondContact O-CB 3.37Å; I333-Y336 PolarHBondContact O-N 3.19Å; A334-Y336 VanDerWaalsContact C-N 3.28Å; A334-Y336 PolarHBondContact O-N 3.3Å; Y336-K339 WeakPolarHBondContact O-CB 3.49Å; Y336-K339 PolarHBondContact O-N 3.01Å; Y336-G340 PolarHBondContact O-N 3.26Å |
| 337 | L | 84.2 | Confident | 82.6 | Confident | 8 Ų | 8 | 45.4 Ų | 45.4 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -44.2 | 175.8 | -74.7 | 173.2 | 0 | 0 | 0 | 111.6 | I307 F313 L318 A319 L322 I333 A334 K339 G340 N341 | I307-L337 HydrophobicContact CD1-CD1 4.38Å; I307-L337 HydrophobicContact CD1-CD2 4.21Å; I307-L337 HydrophobicContact CG2-CD2 3.85Å; F313-L337 HydrophobicContact CE2-CD2 3.97Å; F313-L337 HydrophobicContact CZ-CD2 3.83Å; L318-L337 HydrophobicContact CB-CD1 4.41Å; L318-L337 HydrophobicContact CD2-CD1 3.86Å; L318-L337 HydrophobicContact CG-CD1 4.03Å; A319-L337 HydrophobicContact CB-CB 4.05Å; A319-L337 HydrophobicContact CB-CD1 4.29Å; L322-L337 HydrophobicContact CD1-CD1 3.82Å; I333-L337 HydrophobicContact CG2-CD1 4.34Å; I333-L337 HydrophobicContact CG2-CG 4.46Å; I333-L337 WeakPolarHBondContact O-CG 3.27Å; I333-L337 PolarHBondContact O-N 3Å; A334-L337 PolarHBondContact O-N 2.99Å; L337-K339 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 2.9Å; L337-G340 PolarHBondContact O-N 3.2Å; L337-N341 PolarHBondContact O-N 3.16Å |
| 338 | Y | 85.1 | Confident | 82.4 | Confident | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.024 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.7 | -38.5 | 174.9 | -74.2 | -48.6 | 0 | 0 | 0 | 112.5 | A319 Q320 A334 A335 N341 N342 W343 | A319-Y338 HydrophobicContact CB-CD1 3.96Å; A319-Y338 HydrophobicContact CB-CD2 4.21Å; A319-Y338 HydrophobicContact CB-CE1 3.59Å; A319-Y338 HydrophobicContact CB-CE2 3.87Å; A319-Y338 HydrophobicContact CB-CG 4.26Å; Q320-Y338 WeakPolarHBondContact CG-OH 3.33Å; A334-Y338 VanDerWaalsContact O-CD2 3.26Å; A334-Y338 WeakPolarHBondContact O-CD2 3.21Å; A334-Y338 PolarHBondContact O-N 3.28Å; A335-Y338 PolarHBondContact O-N 3.4Å; Y338-N341 PolarHBondContact O-N 3.3Å; Y338-N342 PolarHBondContact O-N 2.85Å; Y338-W343 HydrophobicContact CD1-CB 4.29Å; Y338-W343 HydrophobicContact CD1-CD2 4.46Å; Y338-W343 AromaticContact CD1-CE3 3.58Å; Y338-W343 HydrophobicContact CD1-CE3 3.58Å; Y338-W343 HydrophobicContact CD1-CZ3 4.31Å; Y338-W343 AromaticContact CE1-CE3 3.6Å; Y338-W343 HydrophobicContact CE1-CE3 3.6Å; Y338-W343 AromaticContact CE1-CZ3 3.91Å; Y338-W343 HydrophobicContact CE1-CZ3 3.91Å; Y338-W343 PolarHBondContact O-N 3.38Å |
| 339 | K | 83.1 | Confident | 82.4 | Confident | 42 Ų | 42 | 44.4 Ų | 44.4 | 18% | 0.183 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -58.3 | -49 | 171.2 | 153.3 | 173.2 | 171.9 | 179 | 0 | 111.2 | A335 Y336 L337 N341 N342 W344 H363 E366 | A335-K339 WeakPolarHBondContact O-CB 3.36Å; A335-K339 PolarHBondContact O-N 3.42Å; Y336-K339 WeakPolarHBondContact O-CB 3.49Å; Y336-K339 PolarHBondContact O-N 3.01Å; L337-K339 VanDerWaalsContact C-N 3.32Å; L337-K339 PolarHBondContact O-N 2.9Å; K339-N341 PolarHBondContact O-N 3.24Å; K339-N342 PolarHBondContact O-N 3.15Å; K339-W344 HydrophobicContact CB-CE3 4.48Å; K339-W344 HydrophobicContact CB-CH2 4.48Å; K339-W344 HydrophobicContact CB-CZ3 3.96Å; K339-W344 HydrophobicContact CD-CH2 4.38Å; K339-W344 HydrophobicContact CD-CZ3 4.05Å; K339-W344 HydrophobicContact CG-CH2 3.78Å; K339-W344 HydrophobicContact CG-CZ3 3.6Å; K339-H363 WeakPolarHBondContact CD-ND1 3.49Å; K339-E366 WeakPolarHBondContact CD-OE2 3.23Å; K339-E366 WeakPolarHBondContact CE-OE2 3.41Å; K339-E366 IonicContact NZ-OE1 3.69Å; K339-E366 PolarHBondContact NZ-OE1 3.08Å; K339-E366 IonicContact NZ-OE2 3.45Å; K339-E366 PolarHBondContact NZ-OE2 3.19Å |
| 340 | G | 80.5 | Confident | 82.4 | Confident | 57 Ų | 57 | 40.6 Ų | 40.6 | 59% | 0.588 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -58.2 | -32.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y336 L337 | Y336-G340 PolarHBondContact O-N 3.26Å; L337-G340 PolarHBondContact O-N 3.2Å |
| 341 | N | 81.3 | Confident | 82.2 | Confident | 58 Ų | 58 | 40.7 Ų | 40.7 | 31% | 0.31 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | 12 | 178.2 | -107.9 | 21.5 | 0 | 0 | 0 | 114.6 | N315 I316 L337 Y338 K339 W343 | N315-N341 PolarHBondContact ND2-OD1 2.87Å; I316-N341 WeakPolarHBondContact CG1-ND2 3.35Å; L337-N341 PolarHBondContact O-N 3.16Å; Y338-N341 PolarHBondContact O-N 3.3Å; K339-N341 PolarHBondContact O-N 3.24Å; N341-W343 VanDerWaalsContact C-N 3.27Å; N341-W343 PolarHBondContact O-N 2.85Å |
| 342 | N | 81.6 | Confident | 82.2 | Confident | 111 Ų | 111 | 40.7 Ų | 40.7 | 59% | 0.594 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 21.4 | -177 | -61 | -59.4 | 0 | 0 | 0 | 115.6 | Y338 K339 W344 | Y338-N342 PolarHBondContact O-N 2.85Å; K339-N342 PolarHBondContact O-N 3.15Å; N342-W344 VanDerWaalsContact C-N 3.3Å; N342-W344 PolarHBondContact O-N 3.26Å |
| 343 | W | 80.4 | Confident | 82.1 | Confident | 99 Ų | 99 | 44.7 Ų | 44.7 | 38% | 0.375 | 23% | 0.228 | S | C | . | . | trans | -90.5 | 66.5 | 174.6 | -72.8 | 4 | 0 | 0 | 0 | 111.2 | I316 Y338 N341 A345 Q346 S347 | I316-W343 HydrophobicContact CB-CH2 4.23Å; I316-W343 HydrophobicContact CB-CZ3 4.32Å; I316-W343 HydrophobicContact CD1-CH2 3.5Å; I316-W343 HydrophobicContact CD1-CZ2 3.67Å; I316-W343 HydrophobicContact CD1-CZ3 4.27Å; I316-W343 HydrophobicContact CG1-CH2 3.64Å; I316-W343 HydrophobicContact CG1-CZ2 4.14Å; I316-W343 HydrophobicContact CG1-CZ3 3.89Å; I316-W343 HydrophobicContact CG2-CH2 3.55Å; I316-W343 HydrophobicContact CG2-CZ3 3.61Å; Y338-W343 HydrophobicContact CD1-CB 4.29Å; Y338-W343 HydrophobicContact CD1-CD2 4.46Å; Y338-W343 AromaticContact CD1-CE3 3.58Å; Y338-W343 HydrophobicContact CD1-CE3 3.58Å; Y338-W343 HydrophobicContact CD1-CZ3 4.31Å; Y338-W343 AromaticContact CE1-CE3 3.6Å; Y338-W343 HydrophobicContact CE1-CE3 3.6Å; Y338-W343 AromaticContact CE1-CZ3 3.91Å; Y338-W343 HydrophobicContact CE1-CZ3 3.91Å; Y338-W343 PolarHBondContact O-N 3.38Å; N341-W343 VanDerWaalsContact C-N 3.27Å; N341-W343 PolarHBondContact O-N 2.85Å; W343-A345 PolarHBondContact O-N 3.29Å; W343-Q346 PolarHBondContact O-N 3.27Å; W343-S347 PolarHBondContact O-N 3.01Å; W343-S347 VanDerWaalsContact O-N 3.16Å | ||
| 344 | W | 82.6 | Confident | 81.8 | Confident | 46 Ų | 46 | 44.8 Ų | 44.8 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.9 | -38.7 | -172.2 | -57.6 | 108.6 | 0 | 0 | 0 | 114 | K339 N342 V348 H363 E366 S367 L372 | K339-W344 HydrophobicContact CB-CE3 4.48Å; K339-W344 HydrophobicContact CB-CH2 4.48Å; K339-W344 HydrophobicContact CB-CZ3 3.96Å; K339-W344 HydrophobicContact CD-CH2 4.38Å; K339-W344 HydrophobicContact CD-CZ3 4.05Å; K339-W344 HydrophobicContact CG-CH2 3.78Å; K339-W344 HydrophobicContact CG-CZ3 3.6Å; N342-W344 VanDerWaalsContact C-N 3.3Å; N342-W344 PolarHBondContact O-N 3.26Å; W344-V348 WeakPolarHBondContact O-CB 3.25Å; W344-V348 WeakPolarHBondContact O-CG2 3.29Å; W344-V348 PolarHBondContact O-N 3.04Å; W344-H363 HydrophobicContact CE3-CB 4.44Å; W344-H363 VanDerWaalsContact CE3-O 3.26Å; W344-H363 HydrophobicContact CZ3-CB 4.49Å; W344-H363 WeakPolarHBondContact CZ3-O 3.5Å; W344-E366 HydrophobicContact CH2-CB 3.87Å; W344-E366 HydrophobicContact CZ3-CB 3.96Å; W344-S367 VanDerWaalsContact CD2-CB 3.44Å; W344-L372 HydrophobicContact CB-CD1 3.77Å |
| 345 | A | 81 | Confident | 81.5 | Confident | 53 Ų | 53 | 49.8 Ų | 49.8 | 44% | 0.438 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W343 V348 E349 L372 | W343-A345 PolarHBondContact O-N 3.29Å; A345-V348 PolarHBondContact O-N 3.2Å; A345-E349 WeakPolarHBondContact O-CB 3.36Å; A345-E349 WeakPolarHBondContact O-CG 3.47Å; A345-E349 PolarHBondContact O-N 3.23Å; A345-L372 HydrophobicContact CB-CD1 4.28Å |
| 346 | Q | 80.6 | Confident | 81.4 | Confident | 89 Ų | 89 | 52 Ų | 52 | 42% | 0.416 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.8 | -40.1 | 179.8 | -70 | -179.8 | -8.3 | 0 | 0 | 112 | W343 V348 E349 L350 | W343-Q346 PolarHBondContact O-N 3.27Å; Q346-V348 VanDerWaalsContact C-N 3.33Å; Q346-V348 PolarHBondContact O-N 2.79Å; Q346-E349 PolarHBondContact O-N 3.09Å; Q346-L350 WeakPolarHBondContact O-CB 3.29Å; Q346-L350 PolarHBondContact O-N 3.37Å |
| 347 | S | 80.4 | Confident | 81.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.9 | -48.1 | 174.3 | -179.2 | 0 | 0 | 0 | 0 | 111.2 | A335 W343 L350 C351 H363 | A335-S347 PolarHBondContact O-OG 2.96Å; W343-S347 PolarHBondContact O-N 3.01Å; W343-S347 VanDerWaalsContact O-N 3.16Å; S347-L350 WeakPolarHBondContact O-CB 3.35Å; S347-L350 PolarHBondContact O-N 3.4Å; S347-C351 PolarHBondContact O-N 3.28Å; S347-C351 PolarHBondContact O-SG 3.24Å; S347-H363 PolarHBondContact OG-CD2 3.36Å |
| 348 | V | 80.2 | Confident | 81.1 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.03 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -68.7 | -39.5 | 179.8 | 165.6 | 0 | 0 | 0 | 0 | 112.6 | W344 A345 Q346 L350 C351 K352 H363 L372 L376 | W344-V348 WeakPolarHBondContact O-CB 3.25Å; W344-V348 WeakPolarHBondContact O-CG2 3.29Å; W344-V348 PolarHBondContact O-N 3.04Å; A345-V348 PolarHBondContact O-N 3.2Å; Q346-V348 VanDerWaalsContact C-N 3.33Å; Q346-V348 PolarHBondContact O-N 2.79Å; V348-L350 VanDerWaalsContact C-N 3.29Å; V348-L350 PolarHBondContact O-N 3.36Å; V348-C351 PolarHBondContact O-N 2.88Å; V348-K352 WeakPolarHBondContact O-CG 3.33Å; V348-K352 PolarHBondContact O-N 3.03Å; V348-H363 HydrophobicContact CG2-CB 4.02Å; V348-L372 HydrophobicContact CB-CD2 3.98Å; V348-L372 HydrophobicContact CG1-CD2 3.94Å; V348-L372 HydrophobicContact CG2-CD2 3.68Å; V348-L376 HydrophobicContact CB-CD1 4.41Å; V348-L376 HydrophobicContact CG1-CD1 3.45Å; V348-L376 VanDerWaalsContact CG1-CD1 3.45Å; V348-L376 HydrophobicContact CG1-CD2 3.53Å; V348-L376 HydrophobicContact CG1-CG 3.47Å; V348-L376 VanDerWaalsContact CG1-CG 3.47Å; V348-L376 HydrophobicContact CG2-CD1 4.06Å |
| 349 | E | 83 | Confident | 80.9 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 51% | 0.514 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.7 | -38.4 | 173.4 | -78.9 | 174.2 | -170.8 | 0 | 0 | 112.3 | A345 Q346 K352 K353 | A345-E349 WeakPolarHBondContact O-CB 3.36Å; A345-E349 WeakPolarHBondContact O-CG 3.47Å; A345-E349 PolarHBondContact O-N 3.23Å; Q346-E349 PolarHBondContact O-N 3.09Å; E349-K352 WeakPolarHBondContact O-CB 3.23Å; E349-K352 PolarHBondContact O-N 3.1Å; E349-K353 WeakPolarHBondContact O-CG 3.27Å; E349-K353 PolarHBondContact O-N 3.49Å |
| 350 | L | 80.6 | Confident | 80.8 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -48.1 | 175.2 | -156 | 84.3 | 0 | 0 | 0 | 110.9 | E323 R331 A334 A335 Q346 S347 V348 K352 K353 D354 | E323-L350 HydrophobicContact CB-CD1 3.98Å; E323-L350 HydrophobicContact CG-CD1 3.51Å; R331-L350 HydrophobicContact CB-CD2 4.32Å; R331-L350 WeakPolarHBondContact O-CD2 3.26Å; A334-L350 HydrophobicContact CB-CD2 3.89Å; A335-L350 HydrophobicContact CB-CD2 4Å; Q346-L350 WeakPolarHBondContact O-CB 3.29Å; Q346-L350 PolarHBondContact O-N 3.37Å; S347-L350 WeakPolarHBondContact O-CB 3.35Å; S347-L350 PolarHBondContact O-N 3.4Å; V348-L350 VanDerWaalsContact C-N 3.29Å; V348-L350 PolarHBondContact O-N 3.36Å; L350-K352 VanDerWaalsContact C-N 3.25Å; L350-K352 PolarHBondContact O-N 3.39Å; L350-K353 WeakPolarHBondContact O-CB 3.36Å; L350-K353 PolarHBondContact O-N 3.46Å; L350-K353 VanDerWaalsContact O-N 3.09Å; L350-D354 PolarHBondContact O-N 3.36Å |
| 351 | C | 80.1 | Confident | 80.9 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.014 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61 | -33.6 | 176.2 | -61.4 | 0 | 0 | 0 | 0 | 112.7 | S347 V348 D354 H355 L356 A360 | S347-C351 PolarHBondContact O-N 3.28Å; S347-C351 PolarHBondContact O-SG 3.24Å; V348-C351 PolarHBondContact O-N 2.88Å; C351-D354 CarbonylContact O-C 2.97Å; C351-D354 PolarHBondContact O-N 3.24Å; C351-H355 PolarHBondContact O-N 3.44Å; C351-L356 HydrophobicContact CB-CB 4.37Å; C351-L356 PolarHBondContact O-N 3.35Å; C351-A360 HydrophobicContact CB-CB 3.67Å |
| 352 | K | 82.4 | Confident | 81 | Confident | 45 Ų | 45 | 58.7 Ų | 58.7 | 20% | 0.196 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63 | -46.8 | 172.7 | -74.1 | -179 | 176.6 | -169.5 | 0 | 111.5 | V348 E349 L350 D354 H355 K375 L376 W379 | V348-K352 WeakPolarHBondContact O-CG 3.33Å; V348-K352 PolarHBondContact O-N 3.03Å; E349-K352 WeakPolarHBondContact O-CB 3.23Å; E349-K352 PolarHBondContact O-N 3.1Å; L350-K352 VanDerWaalsContact C-N 3.25Å; L350-K352 PolarHBondContact O-N 3.39Å; K352-D354 PolarHBondContact O-N 3.07Å; K352-H355 PolarHBondContact O-N 3.37Å; K352-K375 PolarHBondContact NZ-O 3.36Å; K352-L376 HydrophobicContact CD-CD2 4.37Å; K352-L376 HydrophobicContact CG-CD2 4.18Å; K352-W379 HydrophobicContact CB-CH2 4Å; K352-W379 HydrophobicContact CB-CZ2 3.67Å; K352-W379 HydrophobicContact CD-CD2 3.88Å; K352-W379 HydrophobicContact CD-CE3 4.33Å; K352-W379 HydrophobicContact CD-CG 4.01Å; K352-W379 HydrophobicContact CD-CZ2 4.49Å; K352-W379 HydrophobicContact CG-CD2 3.86Å; K352-W379 HydrophobicContact CG-CE3 3.97Å; K352-W379 HydrophobicContact CG-CH2 3.84Å; K352-W379 HydrophobicContact CG-CZ2 3.78Å; K352-W379 HydrophobicContact CG-CZ3 3.96Å |
| 353 | K | 81.5 | Confident | 81.1 | Confident | 120 Ų | 120 | 53.9 Ų | 53.9 | 52% | 0.522 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.5 | -32 | 176 | -67.6 | 173.8 | -171.9 | 172.2 | 0 | 112.2 | E323 E349 L350 | E323-K353 IonicContact OE1-NZ 2.65Å; E323-K353 PolarHBondContact OE1-NZ 2.7Å; E349-K353 WeakPolarHBondContact O-CG 3.27Å; E349-K353 PolarHBondContact O-N 3.49Å; L350-K353 WeakPolarHBondContact O-CB 3.36Å; L350-K353 PolarHBondContact O-N 3.46Å; L350-K353 VanDerWaalsContact O-N 3.09Å |
| 354 | D | 78.3 | Confident | 81.2 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 8% | 0.075 | 24% | 0.235 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -2.8 | -178.1 | -77.1 | -44.5 | 0 | 0 | 0 | 115 | M328 R331 L350 C351 K352 L356 | M328-D354 HydrophobicContact CE-CB 3.56Å; M328-D354 WeakPolarHBondContact CE-OD1 3.4Å; R331-D354 IonicContact CZ-OD1 3.06Å; R331-D354 IonicContact CZ-OD2 2.58Å; R331-D354 IonicContact NE-OD1 3.72Å; R331-D354 PolarHBondContact NE-OD1 3.02Å; R331-D354 IonicContact NE-OD2 3.12Å; R331-D354 PolarHBondContact NE-OD2 2.87Å; R331-D354 IonicContact NH1-OD1 2.7Å; R331-D354 PolarHBondContact NH1-OD1 3.32Å; R331-D354 IonicContact NH1-OD2 3.35Å; R331-D354 IonicContact NH2-OD1 3.59Å; R331-D354 PolarHBondContact NH2-OD1 3.11Å; R331-D354 IonicContact NH2-OD2 3.66Å; R331-D354 PolarHBondContact NH2-OD2 3.34Å; L350-D354 PolarHBondContact O-N 3.36Å; C351-D354 CarbonylContact O-C 2.97Å; C351-D354 PolarHBondContact O-N 3.24Å; K352-D354 PolarHBondContact O-N 3.07Å; D354-L356 HydrophobicContact CB-CB 4.29Å; D354-L356 PolarHBondContact O-N 3.33Å; D354-L356 VanDerWaalsContact O-N 3.17Å |
| 355 | H | 78 | Confident | 81.2 | Confident | 105 Ų | 105 | 48.3 Ų | 48.3 | 49% | 0.486 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 30.6 | -171.5 | -56.7 | -65 | 0 | 0 | 0 | 113.2 | C351 K352 Y357 E383 | C351-H355 PolarHBondContact O-N 3.44Å; K352-H355 PolarHBondContact O-N 3.37Å; H355-Y357 VanDerWaalsContact C-N 3.32Å; H355-Y357 HydrophobicContact CB-CE1 4.26Å; H355-Y357 HydrophobicContact CB-CE2 4.19Å; H355-Y357 PolarHBondContact ND1-OH 2.96Å; H355-Y357 WeakPolarHBondContact O-CD2 3.43Å; H355-Y357 PolarHBondContact O-N 3.42Å; H355-E383 IonicContact CE1-OE1 2.97Å; H355-E383 PolarHBondContact CE1-OE1 3.15Å; H355-E383 IonicContact ND1-OE1 3.96Å; H355-E383 IonicContact ND1-OE2 3.06Å |
| 356 | L | 80.6 | Confident | 81.3 | Confident | 48 Ų | 48 | 50 Ų | 50 | 25% | 0.251 | 24% | 0.236 | S | C | . | . | trans | -87.4 | 74.3 | -179.2 | -154.9 | 75.7 | 0 | 0 | 0 | 109.9 | C332 C351 D354 K358 D359 A360 | C332-L356 HydrophobicContact CB-CD2 4.35Å; C332-L356 WeakPolarHBondContact SG-CD2 3.25Å; C351-L356 HydrophobicContact CB-CB 4.37Å; C351-L356 PolarHBondContact O-N 3.35Å; D354-L356 HydrophobicContact CB-CB 4.29Å; D354-L356 PolarHBondContact O-N 3.33Å; D354-L356 VanDerWaalsContact O-N 3.17Å; L356-K358 PolarHBondContact O-N 3.42Å; L356-D359 HydrophobicContact CD2-CB 3.69Å; L356-D359 WeakPolarHBondContact CD2-OD2 3.26Å; L356-D359 HydrophobicContact CG-CB 4.08Å; L356-A360 WeakPolarHBondContact O-CB 3.43Å; L356-A360 PolarHBondContact O-N 3.39Å; L356-A360 VanDerWaalsContact O-N 3.09Å | ||
| 357 | Y | 80.8 | Confident | 81.3 | Confident | 47 Ų | 47 | 46.5 Ų | 46.5 | 18% | 0.184 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.3 | -35.5 | -166.3 | -56.1 | -54.8 | 0 | 0 | 0 | 114.4 | H355 M361 W379 F380 E383 | H355-Y357 VanDerWaalsContact C-N 3.32Å; H355-Y357 HydrophobicContact CB-CE1 4.26Å; H355-Y357 HydrophobicContact CB-CE2 4.19Å; H355-Y357 PolarHBondContact ND1-OH 2.96Å; H355-Y357 WeakPolarHBondContact O-CD2 3.43Å; H355-Y357 PolarHBondContact O-N 3.42Å; Y357-M361 WeakPolarHBondContact O-CG 3.41Å; Y357-M361 PolarHBondContact O-N 3.46Å; Y357-W379 AromaticContact CD1-CH2 3.85Å; Y357-W379 HydrophobicContact CD1-CH2 3.85Å; Y357-W379 AromaticContact CD1-CZ3 3.9Å; Y357-W379 HydrophobicContact CD1-CZ3 3.9Å; Y357-W379 AromaticContact CE1-CH2 3.45Å; Y357-W379 HydrophobicContact CE1-CH2 3.45Å; Y357-W379 VanDerWaalsContact CE1-CH2 3.45Å; Y357-W379 HydrophobicContact CE1-CZ2 4.45Å; Y357-W379 AromaticContact CE1-CZ3 3.82Å; Y357-W379 HydrophobicContact CE1-CZ3 3.82Å; Y357-F380 HydrophobicContact CD1-CD1 4.27Å; Y357-F380 AromaticContact CD1-CE1 3.33Å; Y357-F380 HydrophobicContact CD1-CE1 3.33Å; Y357-F380 HydrophobicContact CD1-CZ 4.01Å; Y357-F380 HydrophobicContact CE1-CD1 4.49Å; Y357-F380 AromaticContact CE1-CE1 3.94Å; Y357-F380 HydrophobicContact CE1-CE1 3.94Å; Y357-F380 AromaticContact CG-CE1 3.93Å; Y357-F380 HydrophobicContact CG-CE1 3.93Å; Y357-E383 VanDerWaalsContact CE1-OE2 3.31Å; Y357-E383 WeakPolarHBondContact CE1-OE2 3.33Å; Y357-E383 PolarHBondContact OH-OE2 3.01Å |
| 358 | K | 80.6 | Confident | 81.3 | Confident | 167 Ų | 167 | 56.8 Ų | 56.8 | 73% | 0.726 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -67.7 | -46.2 | -179.7 | -68.2 | -175.9 | 179.8 | 179.5 | 0 | 111.8 | L356 M361 Q362 | L356-K358 PolarHBondContact O-N 3.42Å; K358-M361 WeakPolarHBondContact O-CB 3.48Å; K358-M361 PolarHBondContact O-N 2.8Å; K358-Q362 WeakPolarHBondContact O-CG 3.44Å; K358-Q362 PolarHBondContact O-N 2.82Å; K358-Q362 VanDerWaalsContact O-N 3.08Å |
| 359 | D | 81.2 | Confident | 81.5 | Confident | 55 Ų | 55 | 59.8 Ų | 59.8 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -72.2 | -37.6 | -177.1 | -66.5 | 10 | 0 | 0 | 0 | 110.3 | L356 M361 Q362 H363 | L356-D359 HydrophobicContact CD2-CB 3.69Å; L356-D359 WeakPolarHBondContact CD2-OD2 3.26Å; L356-D359 HydrophobicContact CG-CB 4.08Å; D359-M361 VanDerWaalsContact C-N 3.29Å; D359-M361 PolarHBondContact O-N 2.61Å; D359-Q362 PolarHBondContact O-N 3.28Å; D359-H363 WeakPolarHBondContact O-CB 3.4Å; D359-H363 PolarHBondContact O-CD2 3.13Å; D359-H363 PolarHBondContact O-N 2.95Å; D359-H363 PolarHBondContact O-ND1 3.26Å |
| 360 | A | 81.8 | Confident | 81.5 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.6 | -43.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C351 L356 A364 L376 | C351-A360 HydrophobicContact CB-CB 3.67Å; L356-A360 WeakPolarHBondContact O-CB 3.43Å; L356-A360 PolarHBondContact O-N 3.39Å; L356-A360 VanDerWaalsContact O-N 3.09Å; A360-A364 WeakPolarHBondContact O-CB 3.38Å; A360-A364 PolarHBondContact O-N 3.4Å; A360-A364 VanDerWaalsContact O-N 3.1Å; A360-L376 HydrophobicContact CB-CD2 4.32Å |
| 361 | M | 82.6 | Confident | 81.8 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.049 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -65.7 | -43.6 | 177.7 | -73 | 174.6 | -155 | 0 | 0 | 112.2 | Y357 K358 D359 A364 A365 F380 C388 A391 C392 T395 | Y357-M361 WeakPolarHBondContact O-CG 3.41Å; Y357-M361 PolarHBondContact O-N 3.46Å; K358-M361 WeakPolarHBondContact O-CB 3.48Å; K358-M361 PolarHBondContact O-N 2.8Å; D359-M361 VanDerWaalsContact C-N 3.29Å; D359-M361 PolarHBondContact O-N 2.61Å; M361-A364 PolarHBondContact O-N 3.16Å; M361-A365 PolarHBondContact O-N 2.87Å; M361-F380 HydrophobicContact CE-CE1 3.94Å; M361-F380 HydrophobicContact CE-CE2 4.16Å; M361-F380 HydrophobicContact CE-CZ 3.59Å; M361-F380 HydrophobicContact CG-CE2 4.43Å; M361-F380 HydrophobicContact CG-CZ 4.34Å; M361-C388 HydrophobicContact CE-CB 3.55Å; M361-C388 VanDerWaalsContact CE-O 3.24Å; M361-C388 WeakPolarHBondContact CE-O 3.5Å; M361-A391 HydrophobicContact CE-CB 4.03Å; M361-A391 HydrophobicContact SD-CB 3.64Å; M361-C392 VanDerWaalsContact CE-SG 3.57Å; M361-C392 WeakPolarHBondContact CG-SG 3.3Å; M361-T395 HydrophobicContact CB-CG2 4.38Å |
| 362 | Q | 83.3 | Confident | 82 | Confident | 103 Ų | 103 | 62.2 Ų | 62.2 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.9 | -45.8 | 178.5 | -70.5 | 179.1 | -2.8 | 0 | 0 | 111.6 | K358 D359 A364 A365 E366 | K358-Q362 WeakPolarHBondContact O-CG 3.44Å; K358-Q362 PolarHBondContact O-N 2.82Å; K358-Q362 VanDerWaalsContact O-N 3.08Å; D359-Q362 PolarHBondContact O-N 3.28Å; Q362-A364 PolarHBondContact O-N 3.12Å; Q362-A365 PolarHBondContact O-N 3.21Å; Q362-E366 WeakPolarHBondContact O-CB 3.35Å; Q362-E366 VanDerWaalsContact O-CG 3.27Å; Q362-E366 WeakPolarHBondContact O-CG 3.47Å; Q362-E366 PolarHBondContact O-N 3.2Å |
| 363 | H | 82.6 | Confident | 82.1 | Confident | 11 Ų | 11 | 60.3 Ų | 60.3 | 5% | 0.051 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.3 | -34.4 | 177.7 | -62.7 | -11.5 | 0 | 0 | 0 | 112.1 | K339 W344 S347 V348 D359 E366 S367 | K339-H363 WeakPolarHBondContact CD-ND1 3.49Å; W344-H363 HydrophobicContact CE3-CB 4.44Å; W344-H363 VanDerWaalsContact CE3-O 3.26Å; W344-H363 HydrophobicContact CZ3-CB 4.49Å; W344-H363 WeakPolarHBondContact CZ3-O 3.5Å; S347-H363 PolarHBondContact OG-CD2 3.36Å; V348-H363 HydrophobicContact CG2-CB 4.02Å; D359-H363 WeakPolarHBondContact O-CB 3.4Å; D359-H363 PolarHBondContact O-CD2 3.13Å; D359-H363 PolarHBondContact O-N 2.95Å; D359-H363 PolarHBondContact O-ND1 3.26Å; H363-E366 IonicContact ND1-OE2 3.13Å; H363-S367 WeakPolarHBondContact O-CB 3.38Å; H363-S367 PolarHBondContact O-N 3.29Å; H363-S367 VanDerWaalsContact O-N 3.09Å |
| 364 | A | 82.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -74 | -36.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | A360 M361 Q362 S367 L372 L376 L399 | A360-A364 WeakPolarHBondContact O-CB 3.38Å; A360-A364 PolarHBondContact O-N 3.4Å; A360-A364 VanDerWaalsContact O-N 3.1Å; M361-A364 PolarHBondContact O-N 3.16Å; Q362-A364 PolarHBondContact O-N 3.12Å; A364-S367 PolarHBondContact O-OG 3.41Å; A364-L372 HydrophobicContact CB-CD2 4.27Å; A364-L376 HydrophobicContact CB-CD1 3.23Å; A364-L399 WeakPolarHBondContact O-CD2 3.15Å |
| 365 | A | 83.9 | Confident | 82.5 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 22% | 0.223 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.8 | -41 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | M361 Q362 T395 | M361-A365 PolarHBondContact O-N 2.87Å; Q362-A365 PolarHBondContact O-N 3.21Å; A365-T395 WeakPolarHBondContact CB-O 3.34Å |
| 366 | E | 83.1 | Confident | 82.8 | Confident | 87 Ų | 87 | 56.9 Ų | 56.9 | 41% | 0.407 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.7 | -29.9 | -179.5 | -69.2 | 168.7 | 152.4 | 0 | 0 | 113.4 | K339 W344 Q362 H363 R368 | K339-E366 WeakPolarHBondContact CD-OE2 3.23Å; K339-E366 WeakPolarHBondContact CE-OE2 3.41Å; K339-E366 IonicContact NZ-OE1 3.69Å; K339-E366 PolarHBondContact NZ-OE1 3.08Å; K339-E366 IonicContact NZ-OE2 3.45Å; K339-E366 PolarHBondContact NZ-OE2 3.19Å; W344-E366 HydrophobicContact CH2-CB 3.87Å; W344-E366 HydrophobicContact CZ3-CB 3.96Å; Q362-E366 WeakPolarHBondContact O-CB 3.35Å; Q362-E366 VanDerWaalsContact O-CG 3.27Å; Q362-E366 WeakPolarHBondContact O-CG 3.47Å; Q362-E366 PolarHBondContact O-N 3.2Å; H363-E366 IonicContact ND1-OE2 3.13Å; E366-R368 PolarHBondContact O-N 3.3Å |
| 367 | S | 79.2 | Confident | 83 | Confident | 17 Ų | 17 | 54.7 Ų | 54.7 | 12% | 0.119 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -22.2 | 179.6 | 72.4 | 0 | 0 | 0 | 0 | 113.6 | W344 H363 A364 D369 | W344-S367 VanDerWaalsContact CD2-CB 3.44Å; H363-S367 WeakPolarHBondContact O-CB 3.38Å; H363-S367 PolarHBondContact O-N 3.29Å; H363-S367 VanDerWaalsContact O-N 3.09Å; A364-S367 PolarHBondContact O-OG 3.41Å; S367-D369 PolarHBondContact O-N 3.17Å; S367-D369 PolarHBondContact OG-N 2.99Å |
| 368 | R | 81.1 | Confident | 83.1 | Confident | 215 Ų | 215 | 57.2 Ų | 57.2 | 81% | 0.811 | 27% | 0.271 | S | S | * | . | trans | 56.9 | 12.1 | -173.4 | -61.4 | -177.1 | 178.8 | 179.5 | -0.2 | 114.3 | E366 | E366-R368 PolarHBondContact O-N 3.3Š| ||
| 369 | D | 84.9 | Confident | 83.3 | Confident | 68 Ų | 68 | 51 Ų | 51 | 36% | 0.364 | 24% | 0.243 | S | C | . | . | trans | -92.3 | 108.8 | 178.8 | -175.1 | 4.5 | 0 | 0 | 0 | 110.6 | S367 E371 L372 A373 | S367-D369 PolarHBondContact O-N 3.17Å; S367-D369 PolarHBondContact OG-N 2.99Å; D369-E371 VanDerWaalsContact C-N 3.28Å; D369-E371 PolarHBondContact O-N 3.09Å; D369-E371 PolarHBondContact OD1-N 3.43Å; D369-E371 VanDerWaalsContact OD1-N 3.08Å; D369-L372 HydrophobicContact CB-CB 4Å; D369-L372 PolarHBondContact O-N 3.35Å; D369-A373 PolarHBondContact O-N 3.17Å | ||
| 370 | A | 83.4 | Confident | 83.5 | Confident | 32 Ų | 32 | 48.4 Ų | 48.4 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.7 | -38.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | L372 A373 Q374 L399 | A370-L372 VanDerWaalsContact C-N 3.32Å; A370-L372 PolarHBondContact O-N 3.12Å; A370-A373 PolarHBondContact O-N 3.22Å; A370-Q374 WeakPolarHBondContact O-CG 3.27Å; A370-Q374 PolarHBondContact O-N 3.44Å; A370-L399 WeakPolarHBondContact CB-O 3.25Å |
| 371 | E | 85.9 | Confident | 83.5 | Confident | 118 Ų | 118 | 49 Ų | 49 | 55% | 0.551 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -67.2 | -36.3 | -177.7 | -63.3 | -172.3 | -178.2 | 0 | 0 | 112 | D369 Q374 K375 | D369-E371 VanDerWaalsContact C-N 3.28Å; D369-E371 PolarHBondContact O-N 3.09Å; D369-E371 PolarHBondContact OD1-N 3.43Å; D369-E371 VanDerWaalsContact OD1-N 3.08Å; E371-Q374 PolarHBondContact O-N 3.02Å; E371-K375 VanDerWaalsContact O-CG 3.3Å; E371-K375 WeakPolarHBondContact O-CG 3.48Å; E371-K375 PolarHBondContact O-N 2.89Å |
| 372 | L | 84.5 | Confident | 83.6 | Confident | 16 Ų | 16 | 54.9 Ų | 54.9 | 8% | 0.084 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.6 | -43.8 | 179.5 | -159 | 158.6 | 0 | 0 | 0 | 110.9 | W344 A345 V348 A364 D369 A370 Q374 K375 L376 | W344-L372 HydrophobicContact CB-CD1 3.77Å; A345-L372 HydrophobicContact CB-CD1 4.28Å; V348-L372 HydrophobicContact CB-CD2 3.98Å; V348-L372 HydrophobicContact CG1-CD2 3.94Å; V348-L372 HydrophobicContact CG2-CD2 3.68Å; A364-L372 HydrophobicContact CB-CD2 4.27Å; D369-L372 HydrophobicContact CB-CB 4Å; D369-L372 PolarHBondContact O-N 3.35Å; A370-L372 VanDerWaalsContact C-N 3.32Å; A370-L372 PolarHBondContact O-N 3.12Å; L372-Q374 VanDerWaalsContact C-N 3.27Å; L372-Q374 PolarHBondContact O-N 3.39Å; L372-K375 PolarHBondContact O-N 3.01Å; L372-L376 HydrophobicContact CD2-CD1 3.88Å; L372-L376 HydrophobicContact CD2-CG 4.5Å; L372-L376 PolarHBondContact O-N 3.2Å |
| 373 | A | 83.7 | Confident | 83.5 | Confident | 5 Ų | 5 | 53 Ų | 53 | 4% | 0.041 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.5 | -38.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | D369 A370 L376 L377 C396 L399 L400 | D369-A373 PolarHBondContact O-N 3.17Å; A370-A373 PolarHBondContact O-N 3.22Å; A373-L376 WeakPolarHBondContact O-CB 3.42Å; A373-L376 PolarHBondContact O-N 3.41Å; A373-L377 WeakPolarHBondContact O-CB 3.42Å; A373-L377 PolarHBondContact O-N 3.21Å; A373-C396 HydrophobicContact CB-CB 4.39Å; A373-L399 HydrophobicContact CB-CB 4.4Å; A373-L399 HydrophobicContact CB-CD2 4.17Å; A373-L400 HydrophobicContact CB-CD2 4.05Å |
| 374 | Q | 84.1 | Confident | 83.1 | Confident | 37 Ų | 37 | 55 Ų | 55 | 17% | 0.173 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.3 | -47.2 | 175.7 | -67 | 177.3 | 2.1 | 0 | 0 | 112.5 | A370 E371 L372 L376 L377 Q378 L400 M404 | A370-Q374 WeakPolarHBondContact O-CG 3.27Å; A370-Q374 PolarHBondContact O-N 3.44Å; E371-Q374 PolarHBondContact O-N 3.02Å; L372-Q374 VanDerWaalsContact C-N 3.27Å; L372-Q374 PolarHBondContact O-N 3.39Å; Q374-L376 PolarHBondContact O-N 3.26Å; Q374-L377 WeakPolarHBondContact O-CB 3.24Å; Q374-L377 PolarHBondContact O-N 3.24Å; Q374-L377 VanDerWaalsContact O-N 3.15Å; Q374-Q378 PolarHBondContact O-N 3.27Å; Q374-L400 HydrophobicContact CG-CD2 4.41Å; Q374-M404 HydrophobicContact CB-CE 4.41Å; Q374-M404 HydrophobicContact CB-SD 3.86Å; Q374-M404 HydrophobicContact CG-CE 3.7Å; Q374-M404 HydrophobicContact CG-SD 3.31Å; Q374-M404 WeakPolarHBondContact CG-SD 3.47Å |
| 375 | K | 85.1 | Confident | 82.9 | Confident | 125 Ų | 125 | 59.9 Ų | 59.9 | 54% | 0.543 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.7 | -29.7 | 176 | -73.2 | 169.9 | -173.2 | 165.9 | 0 | 112.5 | K352 E371 L372 W379 | K352-K375 PolarHBondContact NZ-O 3.36Å; E371-K375 VanDerWaalsContact O-CG 3.3Å; E371-K375 WeakPolarHBondContact O-CG 3.48Å; E371-K375 PolarHBondContact O-N 2.89Å; L372-K375 PolarHBondContact O-N 3.01Å; K375-W379 WeakPolarHBondContact O-CB 3.41Å; K375-W379 PolarHBondContact O-N 3.5Å |
| 376 | L | 85.1 | Confident | 82.6 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -71.5 | -48.1 | 172 | -95.2 | 168 | 0 | 0 | 0 | 111.9 | V348 K352 A360 A364 L372 A373 Q374 Q378 W379 F380 | V348-L376 HydrophobicContact CB-CD1 4.41Å; V348-L376 HydrophobicContact CG1-CD1 3.45Å; V348-L376 VanDerWaalsContact CG1-CD1 3.45Å; V348-L376 HydrophobicContact CG1-CD2 3.53Å; V348-L376 HydrophobicContact CG1-CG 3.47Å; V348-L376 VanDerWaalsContact CG1-CG 3.47Å; V348-L376 HydrophobicContact CG2-CD1 4.06Å; K352-L376 HydrophobicContact CD-CD2 4.37Å; K352-L376 HydrophobicContact CG-CD2 4.18Å; A360-L376 HydrophobicContact CB-CD2 4.32Å; A364-L376 HydrophobicContact CB-CD1 3.23Å; L372-L376 HydrophobicContact CD2-CD1 3.88Å; L372-L376 HydrophobicContact CD2-CG 4.5Å; L372-L376 PolarHBondContact O-N 3.2Å; A373-L376 WeakPolarHBondContact O-CB 3.42Å; A373-L376 PolarHBondContact O-N 3.41Å; Q374-L376 PolarHBondContact O-N 3.26Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; L376-Q378 PolarHBondContact O-N 3.33Å; L376-W379 HydrophobicContact CD2-CE3 4.32Å; L376-W379 WeakPolarHBondContact O-CB 3.46Å; L376-W379 PolarHBondContact O-N 2.9Å; L376-W379 VanDerWaalsContact O-N 3.16Å; L376-F380 HydrophobicContact CB-CE2 4.48Å; L376-F380 HydrophobicContact CD2-CE2 4.01Å; L376-F380 WeakPolarHBondContact O-CD2 3.36Å; L376-F380 PolarHBondContact O-N 3.33Å |
| 377 | L | 83.2 | Confident | 82.4 | Confident | 2 Ų | 2 | 70.1 Ų | 70.1 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -56.3 | -50.5 | 178.5 | -161 | 75.5 | 0 | 0 | 0 | 110.4 | A373 Q374 W379 F380 L381 F389 C392 L393 L400 M404 V405 L408 | A373-L377 WeakPolarHBondContact O-CB 3.42Å; A373-L377 PolarHBondContact O-N 3.21Å; Q374-L377 WeakPolarHBondContact O-CB 3.24Å; Q374-L377 PolarHBondContact O-N 3.24Å; Q374-L377 VanDerWaalsContact O-N 3.15Å; L377-W379 VanDerWaalsContact C-N 3.29Å; L377-W379 PolarHBondContact O-N 3.34Å; L377-F380 WeakPolarHBondContact O-CB 3.47Å; L377-F380 PolarHBondContact O-N 3.03Å; L377-F380 VanDerWaalsContact O-N 3.1Å; L377-L381 HydrophobicContact CG-CD1 4.11Å; L377-L381 WeakPolarHBondContact O-CD1 3.45Å; L377-L381 PolarHBondContact O-N 3.06Å; L377-L381 VanDerWaalsContact O-N 3.15Å; L377-F389 HydrophobicContact CD1-CD2 3.46Å; L377-F389 VanDerWaalsContact CD1-CD2 3.46Å; L377-F389 HydrophobicContact CD1-CE2 3.59Å; L377-F389 HydrophobicContact CD1-CG 4.48Å; L377-F389 HydrophobicContact CD2-CD2 4.45Å; L377-F389 HydrophobicContact CD2-CE2 3.78Å; L377-F389 HydrophobicContact CG-CD2 3.78Å; L377-F389 HydrophobicContact CG-CE2 3.6Å; L377-C392 HydrophobicContact CD1-CB 3.73Å; L377-L393 HydrophobicContact CD1-CD2 4.05Å; L377-L393 HydrophobicContact CD2-CD2 4.27Å; L377-L400 HydrophobicContact CD2-CD2 4.44Å; L377-M404 HydrophobicContact CD2-CE 3.92Å; L377-V405 HydrophobicContact CD2-CG2 4.3Å; L377-L408 HydrophobicContact CD2-CD1 3.94Å |
| 378 | Q | 84.5 | Confident | 82.3 | Confident | 100 Ų | 100 | 70.2 Ų | 70.2 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -56.1 | -43 | 177.5 | -174.5 | 176.8 | -10.8 | 0 | 0 | 112.3 | Q374 L376 L381 E382 | Q374-Q378 PolarHBondContact O-N 3.27Å; L376-Q378 VanDerWaalsContact C-N 3.34Å; L376-Q378 PolarHBondContact O-N 3.33Å; Q378-L381 WeakPolarHBondContact O-CB 3.44Å; Q378-L381 PolarHBondContact O-N 3.5Å; Q378-E382 PolarHBondContact NE2-OE1 2.98Å; Q378-E382 WeakPolarHBondContact O-CG 3.32Å; Q378-E382 PolarHBondContact O-N 3.16Å |
| 379 | W | 84.8 | Confident | 82.3 | Confident | 37 Ų | 37 | 60 Ų | 60 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.9 | -40 | 176.8 | 172.6 | 78.3 | 0 | 0 | 0 | 113 | K352 Y357 K375 L376 L377 L381 E382 E383 | K352-W379 HydrophobicContact CB-CH2 4Å; K352-W379 HydrophobicContact CB-CZ2 3.67Å; K352-W379 HydrophobicContact CD-CD2 3.88Å; K352-W379 HydrophobicContact CD-CE3 4.33Å; K352-W379 HydrophobicContact CD-CG 4.01Å; K352-W379 HydrophobicContact CD-CZ2 4.49Å; K352-W379 HydrophobicContact CG-CD2 3.86Å; K352-W379 HydrophobicContact CG-CE3 3.97Å; K352-W379 HydrophobicContact CG-CH2 3.84Å; K352-W379 HydrophobicContact CG-CZ2 3.78Å; K352-W379 HydrophobicContact CG-CZ3 3.96Å; Y357-W379 AromaticContact CD1-CH2 3.85Å; Y357-W379 HydrophobicContact CD1-CH2 3.85Å; Y357-W379 AromaticContact CD1-CZ3 3.9Å; Y357-W379 HydrophobicContact CD1-CZ3 3.9Å; Y357-W379 AromaticContact CE1-CH2 3.45Å; Y357-W379 HydrophobicContact CE1-CH2 3.45Å; Y357-W379 VanDerWaalsContact CE1-CH2 3.45Å; Y357-W379 HydrophobicContact CE1-CZ2 4.45Å; Y357-W379 AromaticContact CE1-CZ3 3.82Å; Y357-W379 HydrophobicContact CE1-CZ3 3.82Å; K375-W379 WeakPolarHBondContact O-CB 3.41Å; K375-W379 PolarHBondContact O-N 3.5Å; L376-W379 HydrophobicContact CD2-CE3 4.32Å; L376-W379 WeakPolarHBondContact O-CB 3.46Å; L376-W379 PolarHBondContact O-N 2.9Å; L376-W379 VanDerWaalsContact O-N 3.16Å; L377-W379 VanDerWaalsContact C-N 3.29Å; L377-W379 PolarHBondContact O-N 3.34Å; W379-L381 VanDerWaalsContact C-N 3.27Å; W379-L381 PolarHBondContact O-N 2.81Å; W379-E382 PolarHBondContact O-N 3.06Å; W379-E382 VanDerWaalsContact O-N 3.17Å; W379-E383 HydrophobicContact CD2-CG 4.36Å; W379-E383 VanDerWaalsContact CE2-CD 3.49Å; W379-E383 HydrophobicContact CZ2-CG 4.11Å; W379-E383 WeakPolarHBondContact CZ2-OE1 3.39Å; W379-E383 WeakPolarHBondContact CZ2-OE2 3.38Å; W379-E383 PolarHBondContact O-N 3.44Å |
| 380 | F | 84.3 | Confident | 82 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62 | -34.4 | 174.8 | -78.2 | -67.8 | 0 | 0 | 0 | 113 | Y357 M361 L376 L377 G384 K385 C388 C392 | Y357-F380 HydrophobicContact CD1-CD1 4.27Å; Y357-F380 AromaticContact CD1-CE1 3.33Å; Y357-F380 HydrophobicContact CD1-CE1 3.33Å; Y357-F380 HydrophobicContact CD1-CZ 4.01Å; Y357-F380 HydrophobicContact CE1-CD1 4.49Å; Y357-F380 AromaticContact CE1-CE1 3.94Å; Y357-F380 HydrophobicContact CE1-CE1 3.94Å; Y357-F380 AromaticContact CG-CE1 3.93Å; Y357-F380 HydrophobicContact CG-CE1 3.93Å; M361-F380 HydrophobicContact CE-CE1 3.94Å; M361-F380 HydrophobicContact CE-CE2 4.16Å; M361-F380 HydrophobicContact CE-CZ 3.59Å; M361-F380 HydrophobicContact CG-CE2 4.43Å; M361-F380 HydrophobicContact CG-CZ 4.34Å; L376-F380 HydrophobicContact CB-CE2 4.48Å; L376-F380 HydrophobicContact CD2-CE2 4.01Å; L376-F380 WeakPolarHBondContact O-CD2 3.36Å; L376-F380 PolarHBondContact O-N 3.33Å; L377-F380 WeakPolarHBondContact O-CB 3.47Å; L377-F380 PolarHBondContact O-N 3.03Å; L377-F380 VanDerWaalsContact O-N 3.1Å; F380-G384 PolarHBondContact O-N 3.37Å; F380-K385 PolarHBondContact O-N 2.88Å; F380-C388 HydrophobicContact CD1-CB 3.33Å; F380-C388 HydrophobicContact CE1-CB 3.37Å; F380-C388 HydrophobicContact CG-CB 4.12Å; F380-C388 HydrophobicContact CZ-CB 4.25Å; F380-C392 WeakPolarHBondContact CD2-SG 3.36Å; F380-C392 WeakPolarHBondContact CE2-SG 3.24Å |
| 381 | L | 82.6 | Confident | 81.9 | Confident | 13 Ų | 13 | 57.9 Ų | 57.9 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.1 | -39.2 | 173.9 | -78 | 111.2 | 0 | 0 | 0 | 112 | L377 Q378 W379 G384 F389 H412 L414 | L377-L381 HydrophobicContact CG-CD1 4.11Å; L377-L381 WeakPolarHBondContact O-CD1 3.45Å; L377-L381 PolarHBondContact O-N 3.06Å; L377-L381 VanDerWaalsContact O-N 3.15Å; Q378-L381 WeakPolarHBondContact O-CB 3.44Å; Q378-L381 PolarHBondContact O-N 3.5Å; W379-L381 VanDerWaalsContact C-N 3.27Å; W379-L381 PolarHBondContact O-N 2.81Å; L381-G384 PolarHBondContact O-N 3.2Å; L381-G384 VanDerWaalsContact O-N 3.17Å; L381-F389 HydrophobicContact CD1-CD2 3.44Å; L381-F389 VanDerWaalsContact CD1-CD2 3.44Å; L381-F389 HydrophobicContact CD1-CE2 3.45Å; L381-F389 VanDerWaalsContact CD1-CE2 3.45Å; L381-F389 HydrophobicContact CD2-CE2 4.45Å; L381-F389 HydrophobicContact CG-CD2 4.01Å; L381-F389 HydrophobicContact CG-CE2 4.23Å; L381-H412 HydrophobicContact CD2-CB 3.48Å; L381-H412 VanDerWaalsContact CD2-CB 3.48Å; L381-H412 WeakPolarHBondContact CD2-CD2 3.43Å; L381-L414 HydrophobicContact CD2-CD1 3.84Å; L381-L414 HydrophobicContact CG-CD1 4.29Å |
| 382 | E | 83.6 | Confident | 81.5 | Confident | 134 Ų | 134 | 52.6 Ų | 52.6 | 63% | 0.626 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -65.5 | -38.9 | 175.5 | -71.5 | 170.2 | -171.1 | 0 | 0 | 112.2 | Q378 W379 G384 | Q378-E382 PolarHBondContact NE2-OE1 2.98Å; Q378-E382 WeakPolarHBondContact O-CG 3.32Å; Q378-E382 PolarHBondContact O-N 3.16Å; W379-E382 PolarHBondContact O-N 3.06Å; W379-E382 VanDerWaalsContact O-N 3.17Å; E382-G384 PolarHBondContact O-N 3.37Å |
| 383 | E | 80.8 | Confident | 81.3 | Confident | 65 Ų | 65 | 51.9 Ų | 51.9 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -12 | 172.8 | -72 | -156.2 | 155.7 | 0 | 0 | 113.6 | H355 Y357 W379 K385 | H355-E383 IonicContact CE1-OE1 2.97Å; H355-E383 PolarHBondContact CE1-OE1 3.15Å; H355-E383 IonicContact ND1-OE1 3.96Å; H355-E383 IonicContact ND1-OE2 3.06Å; Y357-E383 VanDerWaalsContact CE1-OE2 3.31Å; Y357-E383 WeakPolarHBondContact CE1-OE2 3.33Å; Y357-E383 PolarHBondContact OH-OE2 3.01Å; W379-E383 HydrophobicContact CD2-CG 4.36Å; W379-E383 VanDerWaalsContact CE2-CD 3.49Å; W379-E383 HydrophobicContact CZ2-CG 4.11Å; W379-E383 WeakPolarHBondContact CZ2-OE1 3.39Å; W379-E383 WeakPolarHBondContact CZ2-OE2 3.38Å; W379-E383 PolarHBondContact O-N 3.44Å; E383-K385 VanDerWaalsContact C-N 3.32Å; E383-K385 HydrophobicContact CB-CG 4.42Å; E383-K385 PolarHBondContact O-N 3.48Å |
| 384 | G | 74.8 | Confident | 81.3 | Confident | 51 Ų | 51 | 57.7 Ų | 57.7 | 53% | 0.526 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 15 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | F380 L381 E382 R386 | F380-G384 PolarHBondContact O-N 3.37Å; L381-G384 PolarHBondContact O-N 3.2Å; L381-G384 VanDerWaalsContact O-N 3.17Å; E382-G384 PolarHBondContact O-N 3.37Å; G384-R386 PolarHBondContact O-N 3.17Å |
| 385 | K | 78 | Confident | 81 | Confident | 105 Ų | 105 | 59 Ų | 59 | 46% | 0.457 | 29% | 0.293 | S | S | . | . | trans | -85.1 | 87.4 | -179.7 | -68.9 | -71.2 | -174.2 | 174.9 | 0 | 111.4 | F380 E383 E387 C388 F389 | F380-K385 PolarHBondContact O-N 2.88Å; E383-K385 VanDerWaalsContact C-N 3.32Å; E383-K385 HydrophobicContact CB-CG 4.42Å; E383-K385 PolarHBondContact O-N 3.48Å; K385-E387 VanDerWaalsContact C-N 3.34Å; K385-E387 PolarHBondContact O-N 3.04Å; K385-C388 HydrophobicContact CB-CB 4.07Å; K385-C388 PolarHBondContact O-N 3.08Å; K385-F389 PolarHBondContact O-N 3.13Å | ||
| 386 | R | 77.8 | Confident | 80.8 | Confident | 163 Ų | 163 | 53.3 Ų | 53.3 | 62% | 0.615 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -62.2 | -33.4 | -176.4 | -57.9 | -172.9 | -178.2 | 173.3 | 0.2 | 114.7 | G384 A390 L414 L417 | G384-R386 PolarHBondContact O-N 3.17Å; R386-A390 PolarHBondContact O-N 2.87Å; R386-L414 HydrophobicContact CB-CD2 4.18Å; R386-L414 HydrophobicContact CG-CD2 3.61Å; R386-L417 HydrophobicContact CB-CD1 3.89Å |
| 387 | E | 78.7 | Confident | 80.4 | Confident | 166 Ų | 166 | 55 Ų | 55 | 78% | 0.776 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -72.5 | -39.6 | 179.7 | -63.5 | 175.3 | -177.2 | 0 | 0 | 111.8 | K385 F389 A390 A391 | K385-E387 VanDerWaalsContact C-N 3.34Å; K385-E387 PolarHBondContact O-N 3.04Å; E387-F389 VanDerWaalsContact C-N 3.3Å; E387-F389 PolarHBondContact O-N 3.17Å; E387-A390 PolarHBondContact O-N 3.42Å; E387-A391 PolarHBondContact O-N 3.28Å; E387-A391 VanDerWaalsContact O-N 3.08Å |
| 388 | C | 77.6 | Confident | 80.1 | Confident | 19 Ų | 19 | 62 Ų | 62 | 13% | 0.128 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.9 | -35.5 | 176.5 | -63 | 0 | 0 | 0 | 0 | 111.5 | M361 F380 K385 A391 C392 | M361-C388 HydrophobicContact CE-CB 3.55Å; M361-C388 VanDerWaalsContact CE-O 3.24Å; M361-C388 WeakPolarHBondContact CE-O 3.5Å; F380-C388 HydrophobicContact CD1-CB 3.33Å; F380-C388 HydrophobicContact CE1-CB 3.37Å; F380-C388 HydrophobicContact CG-CB 4.12Å; F380-C388 HydrophobicContact CZ-CB 4.25Å; K385-C388 HydrophobicContact CB-CB 4.07Å; K385-C388 PolarHBondContact O-N 3.08Å; C388-A391 PolarHBondContact O-N 3Å; C388-C392 WeakPolarHBondContact O-CB 3.21Å; C388-C392 PolarHBondContact O-N 3.4Å; C388-C392 PolarHBondContact O-SG 3.31Å |
| 389 | F | 80.3 | Confident | 80 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 173.4 | 175.9 | -101.5 | 0 | 0 | 0 | 111.9 | L377 L381 K385 E387 A391 C392 L393 A409 L414 A418 | L377-F389 HydrophobicContact CD1-CD2 3.46Å; L377-F389 VanDerWaalsContact CD1-CD2 3.46Å; L377-F389 HydrophobicContact CD1-CE2 3.59Å; L377-F389 HydrophobicContact CD1-CG 4.48Å; L377-F389 HydrophobicContact CD2-CD2 4.45Å; L377-F389 HydrophobicContact CD2-CE2 3.78Å; L377-F389 HydrophobicContact CG-CD2 3.78Å; L377-F389 HydrophobicContact CG-CE2 3.6Å; L381-F389 HydrophobicContact CD1-CD2 3.44Å; L381-F389 VanDerWaalsContact CD1-CD2 3.44Å; L381-F389 HydrophobicContact CD1-CE2 3.45Å; L381-F389 VanDerWaalsContact CD1-CE2 3.45Å; L381-F389 HydrophobicContact CD2-CE2 4.45Å; L381-F389 HydrophobicContact CG-CD2 4.01Å; L381-F389 HydrophobicContact CG-CE2 4.23Å; K385-F389 PolarHBondContact O-N 3.13Å; E387-F389 VanDerWaalsContact C-N 3.3Å; E387-F389 PolarHBondContact O-N 3.17Å; F389-A391 PolarHBondContact O-N 3.37Å; F389-C392 WeakPolarHBondContact O-CB 3.35Å; F389-C392 PolarHBondContact O-N 2.65Å; F389-L393 HydrophobicContact CD1-CD1 4.16Å; F389-L393 HydrophobicContact CE1-CD1 3.64Å; F389-L393 HydrophobicContact CE1-CG 4.4Å; F389-L393 HydrophobicContact CZ-CD1 3.9Å; F389-L393 HydrophobicContact CZ-CD2 4.41Å; F389-L393 HydrophobicContact CZ-CG 4.38Å; F389-L393 WeakPolarHBondContact O-CG 3.4Å; F389-L393 PolarHBondContact O-N 3.46Å; F389-L393 VanDerWaalsContact O-N 3.14Å; F389-A409 HydrophobicContact CZ-CB 4.31Å; F389-L414 HydrophobicContact CD1-CB 4.44Å; F389-L414 HydrophobicContact CD1-CD1 4.17Å; F389-L414 HydrophobicContact CE1-CB 4.22Å; F389-L414 HydrophobicContact CE1-CD1 4.48Å; F389-L414 HydrophobicContact CG-CD1 4.35Å; F389-A418 HydrophobicContact CE1-CB 4.21Å |
| 390 | A | 80.1 | Confident | 79.8 | Confident | 16 Ų | 16 | 57.3 Ų | 57.3 | 13% | 0.132 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | R386 E387 C392 L393 F394 L417 | R386-A390 PolarHBondContact O-N 2.87Å; E387-A390 PolarHBondContact O-N 3.42Å; A390-C392 PolarHBondContact O-N 3.42Å; A390-L393 PolarHBondContact O-N 3.06Å; A390-F394 WeakPolarHBondContact O-CD2 3.49Å; A390-F394 PolarHBondContact O-N 3.09Å; A390-L417 HydrophobicContact CB-CB 4.48Å; A390-L417 HydrophobicContact CB-CD2 3.88Å |
| 391 | A | 81.1 | Confident | 79.6 | Confident | 39 Ų | 39 | 64.6 Ų | 64.6 | 32% | 0.322 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.9 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | M361 E387 C388 F389 L393 F394 T395 | M361-A391 HydrophobicContact CE-CB 4.03Å; M361-A391 HydrophobicContact SD-CB 3.64Å; E387-A391 PolarHBondContact O-N 3.28Å; E387-A391 VanDerWaalsContact O-N 3.08Å; C388-A391 PolarHBondContact O-N 3Å; F389-A391 PolarHBondContact O-N 3.37Å; A391-L393 VanDerWaalsContact C-N 3.32Å; A391-L393 PolarHBondContact O-N 2.93Å; A391-F394 PolarHBondContact O-N 2.83Å; A391-T395 WeakPolarHBondContact O-CG2 3.24Å; A391-T395 PolarHBondContact O-N 3.06Å; A391-T395 PolarHBondContact O-OG1 2.98Å |
| 392 | C | 77.2 | Confident | 79.5 | Confident | 6 Ų | 6 | 65.7 Ų | 65.7 | 4% | 0.041 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57.7 | -41.9 | 174.1 | -76.1 | 0 | 0 | 0 | 0 | 113 | M361 L377 F380 C388 F389 A390 F394 T395 C396 | M361-C392 VanDerWaalsContact CE-SG 3.57Å; M361-C392 WeakPolarHBondContact CG-SG 3.3Å; L377-C392 HydrophobicContact CD1-CB 3.73Å; F380-C392 WeakPolarHBondContact CD2-SG 3.36Å; F380-C392 WeakPolarHBondContact CE2-SG 3.24Å; C388-C392 WeakPolarHBondContact O-CB 3.21Å; C388-C392 PolarHBondContact O-N 3.4Å; C388-C392 PolarHBondContact O-SG 3.31Å; F389-C392 WeakPolarHBondContact O-CB 3.35Å; F389-C392 PolarHBondContact O-N 2.65Å; A390-C392 PolarHBondContact O-N 3.42Å; C392-F394 PolarHBondContact O-N 2.62Å; C392-T395 WeakPolarHBondContact CA-OG1 3.49Å; C392-T395 PolarHBondContact O-N 3.45Å; C392-T395 PolarHBondContact O-OG1 2.86Å; C392-C396 WeakPolarHBondContact O-CB 3.45Å; C392-C396 PolarHBondContact O-N 2.89Å |
| 393 | L | 80.8 | Confident | 79.4 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.7 | -34.5 | 179.5 | -67.2 | 179.8 | 0 | 0 | 0 | 111.7 | L377 F389 A390 A391 Y397 L400 V405 A418 Y421 | L377-L393 HydrophobicContact CD1-CD2 4.05Å; L377-L393 HydrophobicContact CD2-CD2 4.27Å; F389-L393 HydrophobicContact CD1-CD1 4.16Å; F389-L393 HydrophobicContact CE1-CD1 3.64Å; F389-L393 HydrophobicContact CE1-CG 4.4Å; F389-L393 HydrophobicContact CZ-CD1 3.9Å; F389-L393 HydrophobicContact CZ-CD2 4.41Å; F389-L393 HydrophobicContact CZ-CG 4.38Å; F389-L393 WeakPolarHBondContact O-CG 3.4Å; F389-L393 PolarHBondContact O-N 3.46Å; F389-L393 VanDerWaalsContact O-N 3.14Å; A390-L393 PolarHBondContact O-N 3.06Å; A391-L393 VanDerWaalsContact C-N 3.32Å; A391-L393 PolarHBondContact O-N 2.93Å; L393-Y397 WeakPolarHBondContact O-CA 3.46Å; L393-L400 HydrophobicContact CD2-CD1 3.77Å; L393-V405 HydrophobicContact CD1-CG1 4.09Å; L393-V405 HydrophobicContact CD2-CB 4.34Å; L393-V405 HydrophobicContact CD2-CG1 3.52Å; L393-V405 HydrophobicContact CD2-CG2 3.8Å; L393-V405 HydrophobicContact CG-CG1 4.47Å; L393-A418 HydrophobicContact CD1-CB 3.87Å; L393-Y421 HydrophobicContact CB-CD2 4.08Å; L393-Y421 HydrophobicContact CB-CG 4.34Å; L393-Y421 WeakPolarHBondContact O-CD2 3.47Å |
| 394 | F | 82.4 | Confident | 79.4 | Confident | 126 Ų | 126 | 64.1 Ų | 64.1 | 55% | 0.553 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -76.5 | -45 | 175.6 | -76.5 | -68.4 | 0 | 0 | 0 | 112.8 | A390 A391 C392 P420 | A390-F394 WeakPolarHBondContact O-CD2 3.49Å; A390-F394 PolarHBondContact O-N 3.09Å; A391-F394 PolarHBondContact O-N 2.83Å; C392-F394 PolarHBondContact O-N 2.62Å; F394-P420 HydrophobicContact CE1-CB 4.45Å; F394-P420 HydrophobicContact CE2-CB 4.48Å; F394-P420 HydrophobicContact CZ-CB 3.68Å |
| 395 | T | 78.4 | Confident | 79.7 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 40% | 0.399 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -70.7 | -36.9 | -177 | 55 | 0 | 0 | 0 | 0 | 112.5 | M361 A365 A391 C392 | M361-T395 HydrophobicContact CB-CG2 4.38Å; A365-T395 WeakPolarHBondContact CB-O 3.34Å; A391-T395 WeakPolarHBondContact O-CG2 3.24Å; A391-T395 PolarHBondContact O-N 3.06Å; A391-T395 PolarHBondContact O-OG1 2.98Å; C392-T395 WeakPolarHBondContact CA-OG1 3.49Å; C392-T395 PolarHBondContact O-N 3.45Å; C392-T395 PolarHBondContact O-OG1 2.86Å |
| 396 | C | 80.1 | Confident | 79.9 | Confident | 5 Ų | 5 | 61 Ų | 61 | 3% | 0.034 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.2 | 27.2 | -177.3 | -58.9 | 0 | 0 | 0 | 0 | 112.6 | A373 C392 D398 L399 L400 | A373-C396 HydrophobicContact CB-CB 4.39Å; C392-C396 WeakPolarHBondContact O-CB 3.45Å; C392-C396 PolarHBondContact O-N 2.89Å; C396-D398 VanDerWaalsContact C-N 3.28Å; C396-D398 PolarHBondContact O-N 2.78Å; C396-L399 PolarHBondContact O-N 3.28Å; C396-L399 VanDerWaalsContact O-N 3.09Å; C396-L400 HydrophobicContact CB-CD1 3.9Å; C396-L400 HydrophobicContact CB-CG 4.07Å; C396-L400 WeakPolarHBondContact O-CG 3.46Å; C396-L400 PolarHBondContact O-N 3.08Å |
| 397 | Y | 77.8 | Confident | 80.1 | Confident | 40 Ų | 40 | 57.2 Ų | 57.2 | 16% | 0.157 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -43.4 | -172.3 | 179.9 | -93.4 | 0 | 0 | 0 | 113.3 | L393 L399 Y421 Q424 V425 E428 | L393-Y397 WeakPolarHBondContact O-CA 3.46Å; Y397-L399 VanDerWaalsContact C-N 3.34Å; Y397-L399 PolarHBondContact O-N 2.95Å; Y397-Y421 AromaticContact CD2-CD2 3.46Å; Y397-Y421 HydrophobicContact CD2-CD2 3.46Å; Y397-Y421 VanDerWaalsContact CD2-CD2 3.46Å; Y397-Y421 AromaticContact CD2-CE2 3.35Å; Y397-Y421 HydrophobicContact CD2-CE2 3.35Å; Y397-Y421 AromaticContact CE2-CD2 3.85Å; Y397-Y421 HydrophobicContact CE2-CD2 3.85Å; Y397-Y421 AromaticContact CE2-CE2 3.76Å; Y397-Y421 HydrophobicContact CE2-CE2 3.76Å; Y397-Y421 HydrophobicContact CG-CE2 4.16Å; Y397-Q424 HydrophobicContact CE2-CB 4.07Å; Y397-Q424 HydrophobicContact CE2-CG 3.88Å; Y397-V425 HydrophobicContact CE2-CG2 3.7Å; Y397-V425 VanDerWaalsContact OH-CA 3.3Å; Y397-V425 WeakPolarHBondContact OH-CA 3.38Å; Y397-V425 WeakPolarHBondContact OH-CG2 3.47Å; Y397-V425 PolarHBondContact OH-N 3.39Å; Y397-E428 WeakPolarHBondContact CE1-OE2 3.42Å; Y397-E428 PolarHBondContact OH-OE1 3.46Å; Y397-E428 PolarHBondContact OH-OE2 3.42Å |
| 398 | D | 77.4 | Confident | 80.2 | Confident | 149 Ų | 149 | 50.4 Ų | 50.4 | 80% | 0.797 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -22.6 | -176.4 | -63.5 | -33.4 | 0 | 0 | 0 | 114.1 | C396 | C396-D398 VanDerWaalsContact C-N 3.28Å; C396-D398 PolarHBondContact O-N 2.78Å |
| 399 | L | 80.7 | Confident | 80.5 | Confident | 29 Ų | 29 | 49.5 Ų | 49.5 | 15% | 0.152 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -25 | -173.5 | -81.2 | 67.3 | 0 | 0 | 0 | 112.7 | A364 A370 A373 C396 Y397 | A364-L399 WeakPolarHBondContact O-CD2 3.15Å; A370-L399 WeakPolarHBondContact CB-O 3.25Å; A373-L399 HydrophobicContact CB-CB 4.4Å; A373-L399 HydrophobicContact CB-CD2 4.17Å; C396-L399 PolarHBondContact O-N 3.28Å; C396-L399 VanDerWaalsContact O-N 3.09Å; Y397-L399 VanDerWaalsContact C-N 3.34Å; Y397-L399 PolarHBondContact O-N 2.95Å |
| 400 | L | 81.9 | Confident | 80.6 | Confident | 9 Ų | 9 | 58.4 Ų | 58.4 | 5% | 0.047 | 29% | 0.287 | C | S | . | . | trans | -86.2 | 132.7 | -169.7 | -68.5 | 171.2 | 0 | 0 | 0 | 111.6 | A373 Q374 L377 L393 C396 M404 V405 Y421 | A373-L400 HydrophobicContact CB-CD2 4.05Å; Q374-L400 HydrophobicContact CG-CD2 4.41Å; L377-L400 HydrophobicContact CD2-CD2 4.44Å; L393-L400 HydrophobicContact CD2-CD1 3.77Å; C396-L400 HydrophobicContact CB-CD1 3.9Å; C396-L400 HydrophobicContact CB-CG 4.07Å; C396-L400 WeakPolarHBondContact O-CG 3.46Å; C396-L400 PolarHBondContact O-N 3.08Å; L400-M404 HydrophobicContact CD2-CE 4.22Å; L400-V405 HydrophobicContact CB-CG2 4.07Å; L400-Y421 PolarHBondContact O-OH 3.31Å | ||
| 401 | R | 79.1 | Confident | 80.7 | Confident | 154 Ų | 154 | 65.3 Ų | 65.3 | 58% | 0.581 | 31% | 0.31 | S | S | * | . | trans | -80.5 | 125.1 | 174.9 | -77.3 | -171.7 | -95.8 | 159.1 | -6 | 110.4 | D403 M404 V405 | R401-D403 VanDerWaalsContact C-N 3.29Å; R401-D403 PolarHBondContact O-N 2.96Å; R401-M404 PolarHBondContact O-N 2.66Å; R401-V405 PolarHBondContact O-N 3.14Å | ||
| 402 | P | 80.9 | Confident | 80.6 | Confident | 35 Ų | 35 | 67.8 Ų | 67.8 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.3 | -40.1 | -177.8 | -26.9 | 34.7 | 0 | 0 | 0 | 114.1 | M404 V405 L406 F422 V425 | P402-M404 VanDerWaalsContact C-N 3.32Å; P402-M404 PolarHBondContact O-N 3.38Å; P402-V405 PolarHBondContact O-N 3.11Å; P402-L406 WeakPolarHBondContact O-CB 3.45Å; P402-L406 PolarHBondContact O-N 3.36Å; P402-F422 HydrophobicContact CB-CE1 4.36Å; P402-V425 HydrophobicContact CB-CG1 4.42Å; P402-V425 HydrophobicContact CG-CG1 3.88Å; P402-V425 HydrophobicContact CG-CG2 4.48Å |
| 403 | D | 80.8 | Confident | 80.8 | Confident | 133 Ų | 133 | 74.2 Ų | 74.2 | 71% | 0.711 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.2 | -43.7 | -178.1 | -49.9 | -22.4 | 0 | 0 | 0 | 112 | R401 L406 E407 | R401-D403 VanDerWaalsContact C-N 3.29Å; R401-D403 PolarHBondContact O-N 2.96Å; D403-L406 PolarHBondContact O-N 2.97Å; D403-E407 PolarHBondContact O-N 2.66Å; D403-E407 VanDerWaalsContact O-N 3.07Å |
| 404 | M | 81.1 | Confident | 80.7 | Confident | 33 Ų | 33 | 74.6 Ų | 74.6 | 16% | 0.163 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -73.1 | -40.1 | -179.1 | -176.6 | -142.7 | 61.1 | 0 | 0 | 111.4 | Q374 L377 L400 R401 P402 L406 E407 L408 | Q374-M404 HydrophobicContact CB-CE 4.41Å; Q374-M404 HydrophobicContact CB-SD 3.86Å; Q374-M404 HydrophobicContact CG-CE 3.7Å; Q374-M404 HydrophobicContact CG-SD 3.31Å; Q374-M404 WeakPolarHBondContact CG-SD 3.47Å; L377-M404 HydrophobicContact CD2-CE 3.92Å; L400-M404 HydrophobicContact CD2-CE 4.22Å; R401-M404 PolarHBondContact O-N 2.66Å; P402-M404 VanDerWaalsContact C-N 3.32Å; P402-M404 PolarHBondContact O-N 3.38Å; M404-L406 PolarHBondContact O-N 3.22Å; M404-E407 PolarHBondContact O-N 2.83Å; M404-L408 HydrophobicContact CE-CD1 3.94Å; M404-L408 HydrophobicContact CG-CD1 4.14Å; M404-L408 WeakPolarHBondContact O-CG 3.26Å; M404-L408 PolarHBondContact O-N 3.44Å; M404-L408 HydrophobicContact SD-CD1 4.11Å |
| 405 | V | 82.2 | Confident | 80.4 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.9 | -39 | 175.2 | 174 | 0 | 0 | 0 | 0 | 110.2 | L377 L393 L400 R401 P402 A409 Y421 F422 | L377-V405 HydrophobicContact CD2-CG2 4.3Å; L393-V405 HydrophobicContact CD1-CG1 4.09Å; L393-V405 HydrophobicContact CD2-CB 4.34Å; L393-V405 HydrophobicContact CD2-CG1 3.52Å; L393-V405 HydrophobicContact CD2-CG2 3.8Å; L393-V405 HydrophobicContact CG-CG1 4.47Å; L400-V405 HydrophobicContact CB-CG2 4.07Å; R401-V405 PolarHBondContact O-N 3.14Å; P402-V405 PolarHBondContact O-N 3.11Å; V405-A409 WeakPolarHBondContact O-CB 3.46Å; V405-A409 PolarHBondContact O-N 3.25Å; V405-Y421 HydrophobicContact CB-CE1 4.41Å; V405-Y421 HydrophobicContact CG1-CD1 4.27Å; V405-Y421 HydrophobicContact CG1-CE1 4.36Å; V405-Y421 HydrophobicContact CG2-CE1 4.39Å; V405-F422 HydrophobicContact CB-CZ 4.24Å; V405-F422 HydrophobicContact CG1-CE2 4.34Å; V405-F422 HydrophobicContact CG1-CZ 3.88Å |
| 406 | L | 80.8 | Confident | 80.4 | Confident | 90 Ų | 90 | 74.6 Ų | 74.6 | 47% | 0.471 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67 | -44.5 | 178.4 | -172 | 67.6 | 0 | 0 | 0 | 111.6 | P402 D403 M404 L408 A409 W410 F422 | P402-L406 WeakPolarHBondContact O-CB 3.45Å; P402-L406 PolarHBondContact O-N 3.36Å; D403-L406 PolarHBondContact O-N 2.97Å; M404-L406 PolarHBondContact O-N 3.22Å; L406-L408 PolarHBondContact O-N 2.66Å; L406-A409 PolarHBondContact O-N 2.96Å; L406-W410 VanDerWaalsContact O-CB 3.22Å; L406-W410 WeakPolarHBondContact O-CB 3.42Å; L406-W410 PolarHBondContact O-N 3.28Å; L406-F422 HydrophobicContact CB-CE1 4.07Å; L406-F422 HydrophobicContact CB-CZ 3.64Å; L406-F422 HydrophobicContact CD1-CE1 4.31Å; L406-F422 HydrophobicContact CD1-CE2 3.91Å; L406-F422 HydrophobicContact CD1-CZ 3.72Å; L406-F422 HydrophobicContact CG-CZ 4.29Å |
| 407 | E | 82.3 | Confident | 80.3 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 40% | 0.397 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -58.7 | -47.4 | 176.1 | -175.2 | -175.6 | 173.7 | 0 | 0 | 111.6 | D403 M404 R411 | D403-E407 PolarHBondContact O-N 2.66Å; D403-E407 VanDerWaalsContact O-N 3.07Å; M404-E407 PolarHBondContact O-N 2.83Å; E407-R411 WeakPolarHBondContact O-CB 3.26Å; E407-R411 WeakPolarHBondContact O-CG 3.36Å; E407-R411 PolarHBondContact O-N 3.5Å; E407-R411 IonicContact OE1-CZ 2.9Å; E407-R411 IonicContact OE1-NE 3.88Å; E407-R411 IonicContact OE1-NH1 2.78Å; E407-R411 PolarHBondContact OE1-NH1 3.28Å; E407-R411 IonicContact OE1-NH2 2.64Å; E407-R411 PolarHBondContact OE1-NH2 3.05Å |
| 408 | L | 81.8 | Confident | 80.4 | Confident | 23 Ų | 23 | 75.4 Ų | 75.4 | 12% | 0.12 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -68.5 | -43.5 | 179.8 | -68.2 | 173.3 | 0 | 0 | 0 | 112.1 | L377 M404 L406 W410 R411 H412 | L377-L408 HydrophobicContact CD2-CD1 3.94Å; M404-L408 HydrophobicContact CE-CD1 3.94Å; M404-L408 HydrophobicContact CG-CD1 4.14Å; M404-L408 WeakPolarHBondContact O-CG 3.26Å; M404-L408 PolarHBondContact O-N 3.44Å; M404-L408 HydrophobicContact SD-CD1 4.11Å; L406-L408 PolarHBondContact O-N 2.66Å; L408-W410 VanDerWaalsContact C-N 3.32Å; L408-W410 PolarHBondContact O-N 3.29Å; L408-R411 PolarHBondContact O-N 3.05Å; L408-H412 PolarHBondContact O-CD2 3Å; L408-H412 PolarHBondContact O-N 3.37Å |
| 409 | A | 84 | Confident | 80.6 | Confident | 0 Ų | 0 | 72.4 Ų | 72.4 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -38.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | F389 V405 L406 N413 L414 A418 | F389-A409 HydrophobicContact CZ-CB 4.31Å; V405-A409 WeakPolarHBondContact O-CB 3.46Å; V405-A409 PolarHBondContact O-N 3.25Å; L406-A409 PolarHBondContact O-N 2.96Å; A409-N413 PolarHBondContact O-N 3.42Å; A409-N413 VanDerWaalsContact O-N 3.17Å; A409-L414 PolarHBondContact O-N 3.27Å; A409-A418 HydrophobicContact CB-CB 3.94Å |
| 410 | W | 82.8 | Confident | 80.7 | Confident | 188 Ų | 188 | 73.8 Ų | 73.8 | 71% | 0.712 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70.2 | -45.5 | 177.6 | -174.5 | 52.4 | 0 | 0 | 0 | 112.1 | L406 L408 H412 N413 | L406-W410 VanDerWaalsContact O-CB 3.22Å; L406-W410 WeakPolarHBondContact O-CB 3.42Å; L406-W410 PolarHBondContact O-N 3.28Å; L408-W410 VanDerWaalsContact C-N 3.32Å; L408-W410 PolarHBondContact O-N 3.29Å; W410-H412 VanDerWaalsContact C-N 3.26Å; W410-H412 PolarHBondContact O-N 3.48Å; W410-N413 PolarHBondContact O-N 3.48Å |
| 411 | R | 82.2 | Confident | 80.7 | Confident | 161 Ų | 161 | 73.6 Ų | 73.6 | 61% | 0.608 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.8 | -34.7 | 178.7 | -79.5 | -177.7 | 173.4 | 153.7 | 11.3 | 113.6 | E407 L408 | E407-R411 WeakPolarHBondContact O-CB 3.26Å; E407-R411 WeakPolarHBondContact O-CG 3.36Å; E407-R411 PolarHBondContact O-N 3.5Å; E407-R411 IonicContact OE1-CZ 2.9Å; E407-R411 IonicContact OE1-NE 3.88Å; E407-R411 IonicContact OE1-NH1 2.78Å; E407-R411 PolarHBondContact OE1-NH1 3.28Å; E407-R411 IonicContact OE1-NH2 2.64Å; E407-R411 PolarHBondContact OE1-NH2 3.05Å; L408-R411 PolarHBondContact O-N 3.05Å |
| 412 | H | 78.1 | Confident | 80.9 | Confident | 90 Ų | 90 | 67.5 Ų | 67.5 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 9.1 | -176.2 | -68.7 | -94.3 | 0 | 0 | 0 | 114.2 | L381 L408 W410 L414 | L381-H412 HydrophobicContact CD2-CB 3.48Å; L381-H412 VanDerWaalsContact CD2-CB 3.48Å; L381-H412 WeakPolarHBondContact CD2-CD2 3.43Å; L408-H412 PolarHBondContact O-CD2 3Å; L408-H412 PolarHBondContact O-N 3.37Å; W410-H412 VanDerWaalsContact C-N 3.26Å; W410-H412 PolarHBondContact O-N 3.48Å; H412-L414 VanDerWaalsContact C-N 3.34Å; H412-L414 HydrophobicContact CB-CD1 4.21Å; H412-L414 HydrophobicContact CB-CG 4.25Å; H412-L414 PolarHBondContact O-N 2.67Å |
| 413 | N | 80.7 | Confident | 81 | Confident | 141 Ų | 141 | 70.9 Ų | 70.9 | 75% | 0.754 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.7 | 41.6 | -178 | -62.1 | -41.8 | 0 | 0 | 0 | 113.9 | A409 W410 | A409-N413 PolarHBondContact O-N 3.42Å; A409-N413 VanDerWaalsContact O-N 3.17Å; W410-N413 PolarHBondContact O-N 3.48Å |
| 414 | L | 78.5 | Confident | 81.1 | Confident | 11 Ų | 11 | 68 Ų | 68 | 6% | 0.058 | 33% | 0.328 | C | S | . | . | trans | -111.5 | 20.8 | 179.4 | -60.3 | 176.7 | 0 | 0 | 0 | 113 | L381 R386 F389 A409 H412 D416 L417 A418 | L381-L414 HydrophobicContact CD2-CD1 3.84Å; L381-L414 HydrophobicContact CG-CD1 4.29Å; R386-L414 HydrophobicContact CB-CD2 4.18Å; R386-L414 HydrophobicContact CG-CD2 3.61Å; F389-L414 HydrophobicContact CD1-CB 4.44Å; F389-L414 HydrophobicContact CD1-CD1 4.17Å; F389-L414 HydrophobicContact CE1-CB 4.22Å; F389-L414 HydrophobicContact CE1-CD1 4.48Å; F389-L414 HydrophobicContact CG-CD1 4.35Å; A409-L414 PolarHBondContact O-N 3.27Å; H412-L414 VanDerWaalsContact C-N 3.34Å; H412-L414 HydrophobicContact CB-CD1 4.21Å; H412-L414 HydrophobicContact CB-CG 4.25Å; H412-L414 PolarHBondContact O-N 2.67Å; L414-D416 VanDerWaalsContact C-N 3.27Å; L414-D416 PolarHBondContact O-N 2.64Å; L414-L417 HydrophobicContact CD2-CD1 3.94Å; L414-L417 PolarHBondContact O-N 2.87Å; L414-L417 VanDerWaalsContact O-N 3.16Å; L414-A418 PolarHBondContact O-N 3.38Å | ||
| 415 | V | 77.9 | Confident | 81.2 | Confident | 48 Ų | 48 | 67.2 Ų | 67.2 | 29% | 0.291 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.5 | -42.5 | -176.4 | -176.6 | 0 | 0 | 0 | 0 | 111.2 | L417 A418 M419 | V415-L417 VanDerWaalsContact C-N 3.27Å; V415-L417 PolarHBondContact O-N 3.23Å; V415-A418 PolarHBondContact O-N 3.47Å; V415-M419 HydrophobicContact CG1-CG 4.48Å; V415-M419 HydrophobicContact CG1-SD 4.22Å; V415-M419 WeakPolarHBondContact O-CG 3.49Å; V415-M419 PolarHBondContact O-N 3.25Å |
| 416 | D | 77.8 | Confident | 81.2 | Confident | 142 Ų | 142 | 73.1 Ų | 73.1 | 76% | 0.759 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -59.4 | -35.3 | -179 | -58.6 | -29 | 0 | 0 | 0 | 113.3 | L414 | L414-D416 VanDerWaalsContact C-N 3.27Å; L414-D416 PolarHBondContact O-N 2.64Å |
| 417 | L | 76.9 | Confident | 81.3 | Confident | 63 Ų | 63 | 77.3 Ų | 77.3 | 33% | 0.33 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -77.9 | -25.6 | 177.5 | -80.7 | 145 | 0 | 0 | 0 | 112.7 | R386 A390 L414 V415 | R386-L417 HydrophobicContact CB-CD1 3.89Å; A390-L417 HydrophobicContact CB-CB 4.48Å; A390-L417 HydrophobicContact CB-CD2 3.88Å; L414-L417 HydrophobicContact CD2-CD1 3.94Å; L414-L417 PolarHBondContact O-N 2.87Å; L414-L417 VanDerWaalsContact O-N 3.16Å; V415-L417 VanDerWaalsContact C-N 3.27Å; V415-L417 PolarHBondContact O-N 3.23Å |
| 418 | A | 80.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -88.6 | -16.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | F389 L393 A409 L414 V415 P420 Y421 F422 | F389-A418 HydrophobicContact CE1-CB 4.21Å; L393-A418 HydrophobicContact CD1-CB 3.87Å; A409-A418 HydrophobicContact CB-CB 3.94Å; L414-A418 PolarHBondContact O-N 3.38Å; V415-A418 PolarHBondContact O-N 3.47Å; A418-P420 VanDerWaalsContact C-CD 3.48Å; A418-Y421 WeakPolarHBondContact O-CB 3.47Å; A418-Y421 PolarHBondContact O-N 3.17Å; A418-Y421 VanDerWaalsContact O-N 3.08Å; A418-F422 HydrophobicContact CB-CD2 4.14Å; A418-F422 HydrophobicContact CB-CE2 3.7Å; A418-F422 VanDerWaalsContact O-CD2 3.24Å; A418-F422 WeakPolarHBondContact O-CD2 3.41Å; A418-F422 PolarHBondContact O-N 3.04Å |
| 419 | M | 80.9 | Confident | 81.4 | Confident | 85 Ų | 85 | 82.2 Ų | 82.2 | 42% | 0.419 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -53.4 | -42.4 | -178.7 | -77.3 | -55.4 | -68.9 | 0 | 0 | 114.5 | V415 Y421 F422 I423 | V415-M419 HydrophobicContact CG1-CG 4.48Å; V415-M419 HydrophobicContact CG1-SD 4.22Å; V415-M419 WeakPolarHBondContact O-CG 3.49Å; V415-M419 PolarHBondContact O-N 3.25Å; M419-Y421 VanDerWaalsContact C-N 3.27Å; M419-Y421 PolarHBondContact O-N 3.19Å; M419-F422 PolarHBondContact O-N 3.26Å; M419-I423 VanDerWaalsContact O-CG1 3.28Å; M419-I423 WeakPolarHBondContact O-CG1 3.5Å; M419-I423 PolarHBondContact O-N 3.04Å |
| 420 | P | 83.4 | Confident | 81.5 | Confident | 58 Ų | 58 | 87.3 Ų | 87.3 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.4 | -37.1 | 176.8 | -27 | 36.9 | 0 | 0 | 0 | 113.9 | F394 A418 Q424 | F394-P420 HydrophobicContact CE1-CB 4.45Å; F394-P420 HydrophobicContact CE2-CB 4.48Å; F394-P420 HydrophobicContact CZ-CB 3.68Å; A418-P420 VanDerWaalsContact C-CD 3.48Å; P420-Q424 PolarHBondContact O-N 3.04Å |
| 421 | Y | 82.6 | Confident | 81.7 | Confident | 5 Ų | 5 | 80.3 Ų | 80.3 | 2% | 0.02 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.8 | -49 | 175.2 | 172.8 | -91.6 | 0 | 0 | 0 | 110.7 | L393 Y397 L400 V405 A418 M419 I423 Q424 V425 | L393-Y421 HydrophobicContact CB-CD2 4.08Å; L393-Y421 HydrophobicContact CB-CG 4.34Å; L393-Y421 WeakPolarHBondContact O-CD2 3.47Å; Y397-Y421 AromaticContact CD2-CD2 3.46Å; Y397-Y421 HydrophobicContact CD2-CD2 3.46Å; Y397-Y421 VanDerWaalsContact CD2-CD2 3.46Å; Y397-Y421 AromaticContact CD2-CE2 3.35Å; Y397-Y421 HydrophobicContact CD2-CE2 3.35Å; Y397-Y421 AromaticContact CE2-CD2 3.85Å; Y397-Y421 HydrophobicContact CE2-CD2 3.85Å; Y397-Y421 AromaticContact CE2-CE2 3.76Å; Y397-Y421 HydrophobicContact CE2-CE2 3.76Å; Y397-Y421 HydrophobicContact CG-CE2 4.16Å; L400-Y421 PolarHBondContact O-OH 3.31Å; V405-Y421 HydrophobicContact CB-CE1 4.41Å; V405-Y421 HydrophobicContact CG1-CD1 4.27Å; V405-Y421 HydrophobicContact CG1-CE1 4.36Å; V405-Y421 HydrophobicContact CG2-CE1 4.39Å; A418-Y421 WeakPolarHBondContact O-CB 3.47Å; A418-Y421 PolarHBondContact O-N 3.17Å; A418-Y421 VanDerWaalsContact O-N 3.08Å; M419-Y421 VanDerWaalsContact C-N 3.27Å; M419-Y421 PolarHBondContact O-N 3.19Å; Y421-I423 PolarHBondContact O-N 3.05Å; Y421-Q424 PolarHBondContact O-N 3.24Å; Y421-V425 HydrophobicContact CD1-CG2 4.12Å; Y421-V425 HydrophobicContact CE1-CG2 3.72Å; Y421-V425 HydrophobicContact CE2-CG2 4.26Å; Y421-V425 WeakPolarHBondContact O-CG2 3.5Å; Y421-V425 PolarHBondContact O-N 3.4Å |
| 422 | F | 81.9 | Confident | 81.9 | Confident | 27 Ų | 27 | 78.5 Ų | 78.5 | 12% | 0.118 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 179.4 | -69.4 | -63.5 | 0 | 0 | 0 | 113.2 | P402 V405 L406 A418 M419 Q424 V425 M426 | P402-F422 HydrophobicContact CB-CE1 4.36Å; V405-F422 HydrophobicContact CB-CZ 4.24Å; V405-F422 HydrophobicContact CG1-CE2 4.34Å; V405-F422 HydrophobicContact CG1-CZ 3.88Å; L406-F422 HydrophobicContact CB-CE1 4.07Å; L406-F422 HydrophobicContact CB-CZ 3.64Å; L406-F422 HydrophobicContact CD1-CE1 4.31Å; L406-F422 HydrophobicContact CD1-CE2 3.91Å; L406-F422 HydrophobicContact CD1-CZ 3.72Å; L406-F422 HydrophobicContact CG-CZ 4.29Å; A418-F422 HydrophobicContact CB-CD2 4.14Å; A418-F422 HydrophobicContact CB-CE2 3.7Å; A418-F422 VanDerWaalsContact O-CD2 3.24Å; A418-F422 WeakPolarHBondContact O-CD2 3.41Å; A418-F422 PolarHBondContact O-N 3.04Å; M419-F422 PolarHBondContact O-N 3.26Å; F422-Q424 VanDerWaalsContact C-N 3.29Å; F422-Q424 PolarHBondContact O-N 3.21Å; F422-V425 PolarHBondContact O-N 2.98Å; F422-M426 WeakPolarHBondContact O-CB 3.29Å; F422-M426 VanDerWaalsContact O-CG 3.24Å; F422-M426 WeakPolarHBondContact O-CG 3.34Å; F422-M426 PolarHBondContact O-N 2.84Å |
| 423 | I | 83.8 | Confident | 82.4 | Confident | 105 Ų | 105 | 77.5 Ų | 77.5 | 54% | 0.538 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176 | -68.5 | 164.3 | 0 | 0 | 0 | 110.4 | M419 Y421 R427 | M419-I423 VanDerWaalsContact O-CG1 3.28Å; M419-I423 WeakPolarHBondContact O-CG1 3.5Å; M419-I423 PolarHBondContact O-N 3.04Å; Y421-I423 PolarHBondContact O-N 3.05Å; I423-R427 WeakPolarHBondContact O-CB 3.46Å; I423-R427 PolarHBondContact O-N 3.43Å |
| 424 | Q | 82.3 | Confident | 82.8 | Confident | 74 Ų | 74 | 75.6 Ų | 75.6 | 35% | 0.346 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 178.9 | -174.4 | 62.7 | 15.1 | 0 | 0 | 111.8 | Y397 P420 Y421 F422 M426 R427 E428 | Y397-Q424 HydrophobicContact CE2-CB 4.07Å; Y397-Q424 HydrophobicContact CE2-CG 3.88Å; P420-Q424 PolarHBondContact O-N 3.04Å; Y421-Q424 PolarHBondContact O-N 3.24Å; F422-Q424 VanDerWaalsContact C-N 3.29Å; F422-Q424 PolarHBondContact O-N 3.21Å; Q424-M426 PolarHBondContact O-N 3.06Å; Q424-R427 PolarHBondContact O-N 3.33Å; Q424-E428 PolarHBondContact NE2-OE1 2.83Å; Q424-E428 PolarHBondContact O-N 3.12Å |
| 425 | V | 83.1 | Confident | 83.3 | Confident | 15 Ų | 15 | 81.6 Ų | 81.6 | 9% | 0.091 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 175.4 | 173 | 0 | 0 | 0 | 0 | 110.6 | Y397 P402 Y421 F422 R427 E428 Y429 | Y397-V425 HydrophobicContact CE2-CG2 3.7Å; Y397-V425 VanDerWaalsContact OH-CA 3.3Å; Y397-V425 WeakPolarHBondContact OH-CA 3.38Å; Y397-V425 WeakPolarHBondContact OH-CG2 3.47Å; Y397-V425 PolarHBondContact OH-N 3.39Å; P402-V425 HydrophobicContact CB-CG1 4.42Å; P402-V425 HydrophobicContact CG-CG1 3.88Å; P402-V425 HydrophobicContact CG-CG2 4.48Å; Y421-V425 HydrophobicContact CD1-CG2 4.12Å; Y421-V425 HydrophobicContact CE1-CG2 3.72Å; Y421-V425 HydrophobicContact CE2-CG2 4.26Å; Y421-V425 WeakPolarHBondContact O-CG2 3.5Å; Y421-V425 PolarHBondContact O-N 3.4Å; F422-V425 PolarHBondContact O-N 2.98Å; V425-R427 PolarHBondContact O-N 3.46Å; V425-E428 PolarHBondContact O-N 3.45Å; V425-Y429 HydrophobicContact CG1-CD2 3.64Å; V425-Y429 HydrophobicContact CG1-CE2 3.81Å; V425-Y429 WeakPolarHBondContact O-CB 3.19Å; V425-Y429 WeakPolarHBondContact O-CD2 3.13Å; V425-Y429 PolarHBondContact O-N 3.36Å |
| 426 | M | 82.4 | Confident | 83.7 | Confident | 125 Ų | 125 | 84.6 Ų | 84.6 | 62% | 0.616 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 178.6 | -72.8 | -179.1 | 73.2 | 0 | 0 | 111.8 | F422 Q424 E428 Y429 L430 | F422-M426 WeakPolarHBondContact O-CB 3.29Å; F422-M426 VanDerWaalsContact O-CG 3.24Å; F422-M426 WeakPolarHBondContact O-CG 3.34Å; F422-M426 PolarHBondContact O-N 2.84Å; Q424-M426 PolarHBondContact O-N 3.06Å; M426-E428 VanDerWaalsContact C-N 3.35Å; M426-E428 PolarHBondContact O-N 3.28Å; M426-Y429 PolarHBondContact O-N 3.26Å; M426-L430 WeakPolarHBondContact O-CB 3.24Å; M426-L430 VanDerWaalsContact O-CG 3.25Å; M426-L430 WeakPolarHBondContact O-CG 3.47Å; M426-L430 PolarHBondContact O-N 2.91Å |
| 427 | R | 84.6 | Confident | 84.1 | Confident | 177 Ų | 177 | 81.9 Ų | 81.9 | 67% | 0.668 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.9 | -44 | 176.2 | -177.7 | -178.7 | 178.9 | -173.1 | 0.2 | 111.6 | I423 Q424 V425 S431 | I423-R427 WeakPolarHBondContact O-CB 3.46Å; I423-R427 PolarHBondContact O-N 3.43Å; Q424-R427 PolarHBondContact O-N 3.33Å; V425-R427 PolarHBondContact O-N 3.46Å; R427-S431 WeakPolarHBondContact O-CB 3.48Å; R427-S431 PolarHBondContact O-N 3.31Å; R427-S431 PolarHBondContact O-OG 3.29Å |
| 428 | E | 84.1 | Confident | 84.6 | Confident | 57 Ų | 57 | 81.3 Ų | 81.3 | 27% | 0.266 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -67.1 | -44.5 | 178.7 | -80.1 | 177.9 | -169.5 | 0 | 0 | 112.2 | Y397 Q424 V425 M426 S431 K432 | Y397-E428 WeakPolarHBondContact CE1-OE2 3.42Å; Y397-E428 PolarHBondContact OH-OE1 3.46Å; Y397-E428 PolarHBondContact OH-OE2 3.42Å; Q424-E428 PolarHBondContact NE2-OE1 2.83Å; Q424-E428 PolarHBondContact O-N 3.12Å; V425-E428 PolarHBondContact O-N 3.45Å; M426-E428 VanDerWaalsContact C-N 3.35Å; M426-E428 PolarHBondContact O-N 3.28Å; E428-S431 WeakPolarHBondContact CA-OG 3.27Å; E428-S431 PolarHBondContact O-N 3Å; E428-S431 PolarHBondContact O-OG 3.33Å; E428-K432 WeakPolarHBondContact O-CB 3.41Å; E428-K432 WeakPolarHBondContact O-CG 3.45Å; E428-K432 PolarHBondContact O-N 3.35Å |
| 429 | Y | 80.7 | Confident | 84.9 | Confident | 154 Ų | 154 | 86.1 Ų | 86.1 | 60% | 0.604 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.3 | -50 | 174.6 | -97.2 | -88.2 | 0 | 0 | 0 | 111.2 | V425 M426 S431 K432 V433 | V425-Y429 HydrophobicContact CG1-CD2 3.64Å; V425-Y429 HydrophobicContact CG1-CE2 3.81Å; V425-Y429 WeakPolarHBondContact O-CB 3.19Å; V425-Y429 WeakPolarHBondContact O-CD2 3.13Å; V425-Y429 PolarHBondContact O-N 3.36Å; M426-Y429 PolarHBondContact O-N 3.26Å; Y429-S431 PolarHBondContact O-N 3.43Å; Y429-K432 PolarHBondContact O-N 3.2Å; Y429-V433 WeakPolarHBondContact O-CB 3.26Å; Y429-V433 VanDerWaalsContact O-CG2 3.26Å; Y429-V433 WeakPolarHBondContact O-CG2 3.29Å; Y429-V433 PolarHBondContact O-N 3.05Å |
| 430 | L | 86.9 | Confident | 85.2 | Confident | 107 Ų | 107 | 86.8 Ų | 86.8 | 56% | 0.56 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -58.5 | -47.6 | 176.5 | -71.5 | 169 | 0 | 0 | 0 | 111.1 | M426 K432 V433 D434 | M426-L430 WeakPolarHBondContact O-CB 3.24Å; M426-L430 VanDerWaalsContact O-CG 3.25Å; M426-L430 WeakPolarHBondContact O-CG 3.47Å; M426-L430 PolarHBondContact O-N 2.91Å; L430-K432 VanDerWaalsContact C-N 3.32Å; L430-K432 PolarHBondContact O-N 3.35Å; L430-V433 PolarHBondContact O-N 2.89Å; L430-D434 WeakPolarHBondContact O-CB 3.46Å; L430-D434 PolarHBondContact O-N 3.19Å |
| 431 | S | 87 | Confident | 85.2 | Confident | 42 Ų | 42 | 87 Ų | 87 | 29% | 0.294 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.2 | -31.8 | 179.2 | 76.2 | 0 | 0 | 0 | 0 | 114.1 | R427 E428 Y429 K435 | R427-S431 WeakPolarHBondContact O-CB 3.48Å; R427-S431 PolarHBondContact O-N 3.31Å; R427-S431 PolarHBondContact O-OG 3.29Å; E428-S431 WeakPolarHBondContact CA-OG 3.27Å; E428-S431 PolarHBondContact O-N 3Å; E428-S431 PolarHBondContact O-OG 3.33Å; Y429-S431 PolarHBondContact O-N 3.43Å; S431-K435 WeakPolarHBondContact O-CB 3.45Å; S431-K435 WeakPolarHBondContact O-CD 3.46Å; S431-K435 WeakPolarHBondContact O-CG 3.28Å; S431-K435 PolarHBondContact O-N 3.07Å; S431-K435 VanDerWaalsContact O-N 3.11Å |
| 432 | K | 86 | Confident | 85.3 | Confident | 123 Ų | 123 | 90.9 Ų | 90.9 | 54% | 0.535 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -73.1 | -42 | 176 | -78.1 | 176 | -178.3 | 170 | 0 | 110.3 | E428 Y429 L430 K435 L436 | E428-K432 WeakPolarHBondContact O-CB 3.41Å; E428-K432 WeakPolarHBondContact O-CG 3.45Å; E428-K432 PolarHBondContact O-N 3.35Å; Y429-K432 PolarHBondContact O-N 3.2Å; L430-K432 VanDerWaalsContact C-N 3.32Å; L430-K432 PolarHBondContact O-N 3.35Å; K432-K435 PolarHBondContact O-N 3.22Å; K432-L436 VanDerWaalsContact O-CG 3.28Å; K432-L436 WeakPolarHBondContact O-CG 3.25Å; K432-L436 PolarHBondContact O-N 2.98Å |
| 433 | V | 89.3 | Confident | 85.2 | Confident | 68 Ų | 68 | 97.9 Ų | 97.9 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61 | -50.4 | 173.9 | 172.8 | 0 | 0 | 0 | 0 | 110 | Y429 L430 K435 L436 D437 | Y429-V433 WeakPolarHBondContact O-CB 3.26Å; Y429-V433 VanDerWaalsContact O-CG2 3.26Å; Y429-V433 WeakPolarHBondContact O-CG2 3.29Å; Y429-V433 PolarHBondContact O-N 3.05Å; L430-V433 PolarHBondContact O-N 2.89Å; V433-K435 VanDerWaalsContact C-N 3.27Å; V433-K435 PolarHBondContact O-N 2.62Å; V433-L436 PolarHBondContact O-N 3.06Å; V433-D437 WeakPolarHBondContact O-CB 3.36Å; V433-D437 PolarHBondContact O-N 3.28Å |
| 434 | D | 88 | Confident | 85 | Confident | 101 Ų | 101 | 98.1 Ų | 98.1 | 54% | 0.54 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.9 | -39.9 | 177.4 | -66.5 | -22.2 | 0 | 0 | 0 | 112.3 | L430 A438 | L430-D434 WeakPolarHBondContact O-CB 3.46Å; L430-D434 PolarHBondContact O-N 3.19Å; D434-A438 VanDerWaalsContact O-CB 3.31Å; D434-A438 WeakPolarHBondContact O-CB 3.43Å; D434-A438 PolarHBondContact O-N 3.49Å |
| 435 | K | 89.3 | Confident | 84.8 | Confident | 138 Ų | 138 | 100.4 Ų | 100.4 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.3 | -41.7 | 175.7 | -77.7 | 172 | -175.5 | 178 | 0 | 112.4 | S431 K432 V433 A438 L439 | S431-K435 WeakPolarHBondContact O-CB 3.45Å; S431-K435 WeakPolarHBondContact O-CD 3.46Å; S431-K435 WeakPolarHBondContact O-CG 3.28Å; S431-K435 PolarHBondContact O-N 3.07Å; S431-K435 VanDerWaalsContact O-N 3.11Å; K432-K435 PolarHBondContact O-N 3.22Å; V433-K435 VanDerWaalsContact C-N 3.27Å; V433-K435 PolarHBondContact O-N 2.62Å; K435-A438 PolarHBondContact O-N 2.88Å; K435-L439 WeakPolarHBondContact O-CB 3.15Å; K435-L439 VanDerWaalsContact O-CG 3.26Å; K435-L439 WeakPolarHBondContact O-CG 3.44Å; K435-L439 PolarHBondContact O-N 3.28Å |
| 436 | L | 86.4 | Confident | 84.3 | Confident | 111 Ų | 111 | 105.9 Ų | 105.9 | 58% | 0.581 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66 | -42.9 | 177 | -72.3 | 171.7 | 0 | 0 | 0 | 110.7 | K432 V433 A438 L439 E440 | K432-L436 VanDerWaalsContact O-CG 3.28Å; K432-L436 WeakPolarHBondContact O-CG 3.25Å; K432-L436 PolarHBondContact O-N 2.98Å; V433-L436 PolarHBondContact O-N 3.06Å; L436-A438 VanDerWaalsContact C-N 3.33Å; L436-A438 PolarHBondContact O-N 2.97Å; L436-L439 PolarHBondContact O-N 3.39Å; L436-E440 WeakPolarHBondContact O-CB 3.25Å; L436-E440 PolarHBondContact O-N 3.34Å |
| 437 | D | 87.1 | Confident | 83.8 | Confident | 84 Ų | 84 | 106.1 Ų | 106.1 | 45% | 0.449 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.3 | -42.3 | 175.5 | -70.2 | -18.6 | 0 | 0 | 0 | 111.1 | V433 E440 S441 | V433-D437 WeakPolarHBondContact O-CB 3.36Å; V433-D437 PolarHBondContact O-N 3.28Å; D437-E440 PolarHBondContact O-N 2.81Å; D437-S441 VanDerWaalsContact O-CB 3.29Å; D437-S441 WeakPolarHBondContact O-CB 3.26Å; D437-S441 PolarHBondContact O-N 3.24Å; D437-S441 PolarHBondContact O-OG 3.44Å |
| 438 | A | 87.4 | Confident | 82.6 | Confident | 52 Ų | 52 | 104.6 Ų | 104.6 | 43% | 0.43 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D434 K435 L436 S441 L442 | D434-A438 VanDerWaalsContact O-CB 3.31Å; D434-A438 WeakPolarHBondContact O-CB 3.43Å; D434-A438 PolarHBondContact O-N 3.49Å; K435-A438 PolarHBondContact O-N 2.88Å; L436-A438 VanDerWaalsContact C-N 3.33Å; L436-A438 PolarHBondContact O-N 2.97Å; A438-S441 WeakPolarHBondContact O-CB 3.5Å; A438-S441 PolarHBondContact O-N 3.31Å; A438-L442 WeakPolarHBondContact O-CB 3.39Å; A438-L442 WeakPolarHBondContact O-CG 3.28Å; A438-L442 PolarHBondContact O-N 3.43Å |
| 439 | L | 86.7 | Confident | 81.5 | Confident | 100 Ų | 100 | 107.8 Ų | 107.8 | 52% | 0.524 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66 | -40.2 | 176.5 | -75.9 | 169.2 | 0 | 0 | 0 | 112.2 | K435 L436 S441 L442 R443 | K435-L439 WeakPolarHBondContact O-CB 3.15Å; K435-L439 VanDerWaalsContact O-CG 3.26Å; K435-L439 WeakPolarHBondContact O-CG 3.44Å; K435-L439 PolarHBondContact O-N 3.28Å; L436-L439 PolarHBondContact O-N 3.39Å; L439-S441 VanDerWaalsContact C-N 3.34Å; L439-L442 PolarHBondContact O-N 3.16Å; L439-R443 WeakPolarHBondContact O-CG 3.34Å; L439-R443 PolarHBondContact O-N 3.43Å |
| 440 | E | 86.5 | Confident | 80.2 | Confident | 99 Ų | 99 | 105.9 Ų | 105.9 | 46% | 0.463 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 176.1 | -165.4 | -179.6 | 148.5 | 0 | 0 | 111.1 | L436 D437 R443 K444 | L436-E440 WeakPolarHBondContact O-CB 3.25Å; L436-E440 PolarHBondContact O-N 3.34Å; D437-E440 PolarHBondContact O-N 2.81Å; E440-R443 PolarHBondContact O-N 3.21Å; E440-K444 WeakPolarHBondContact O-CB 3.36Å; E440-K444 WeakPolarHBondContact O-CG 3.38Å; E440-K444 PolarHBondContact O-N 2.92Å; E440-K444 VanDerWaalsContact OE1-CE 3.28Å; E440-K444 WeakPolarHBondContact OE1-CE 3.19Å; E440-K444 IonicContact OE1-NZ 3.53Å; E440-K444 PolarHBondContact OE1-NZ 2.91Å |
| 441 | S | 83.8 | Confident | 78.3 | Confident | 62 Ų | 62 | 107.5 Ų | 107.5 | 43% | 0.434 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.7 | -42.6 | 173.2 | -58.1 | 0 | 0 | 0 | 0 | 112 | D437 A438 L439 K444 Q445 | D437-S441 VanDerWaalsContact O-CB 3.29Å; D437-S441 WeakPolarHBondContact O-CB 3.26Å; D437-S441 PolarHBondContact O-N 3.24Å; D437-S441 PolarHBondContact O-OG 3.44Å; A438-S441 WeakPolarHBondContact O-CB 3.5Å; A438-S441 PolarHBondContact O-N 3.31Å; L439-S441 VanDerWaalsContact C-N 3.34Å; S441-K444 PolarHBondContact O-N 2.95Å; S441-Q445 WeakPolarHBondContact O-CG 3.41Å; S441-Q445 PolarHBondContact O-N 3.2Å |
| 442 | L | 83.7 | Confident | 76.5 | Confident | 88 Ų | 88 | 111.5 Ų | 111.5 | 46% | 0.461 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -64.6 | -44.6 | 174.7 | -77.7 | 162.3 | 0 | 0 | 0 | 111.6 | A438 L439 K444 Q445 E446 | A438-L442 WeakPolarHBondContact O-CB 3.39Å; A438-L442 WeakPolarHBondContact O-CG 3.28Å; A438-L442 PolarHBondContact O-N 3.43Å; L439-L442 PolarHBondContact O-N 3.16Å; L442-K444 VanDerWaalsContact C-N 3.33Å; L442-K444 PolarHBondContact O-N 3.48Å; L442-Q445 WeakPolarHBondContact O-CB 3.12Å; L442-Q445 PolarHBondContact O-N 3.34Å; L442-Q445 VanDerWaalsContact O-N 3.12Å; L442-E446 WeakPolarHBondContact O-CG 3.47Å; L442-E446 PolarHBondContact O-N 3.17Å |
| 443 | R | 79.7 | Confident | 74.7 | Confident | 173 Ų | 173 | 109.8 Ų | 109.8 | 65% | 0.653 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -58.8 | -44 | 174.6 | -77.6 | -177.7 | -179.4 | -178.2 | 1.2 | 112.1 | L439 E440 Q445 E446 E447 | L439-R443 WeakPolarHBondContact O-CG 3.34Å; L439-R443 PolarHBondContact O-N 3.43Å; E440-R443 PolarHBondContact O-N 3.21Å; R443-Q445 VanDerWaalsContact C-N 3.29Å; R443-Q445 PolarHBondContact O-N 2.99Å; R443-E446 PolarHBondContact O-N 3.26Å; R443-E447 WeakPolarHBondContact O-CB 3.47Å; R443-E447 WeakPolarHBondContact O-CG 3.45Å; R443-E447 PolarHBondContact O-N 3.04Å |
| 444 | K | 80.9 | Confident | 72.9 | Confident | 111 Ų | 111 | 112.2 Ų | 112.2 | 48% | 0.483 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -63 | -34.4 | 175.9 | -74.1 | 171.3 | -176.2 | 163.2 | 0 | 112.4 | E440 S441 L442 H448 | E440-K444 WeakPolarHBondContact O-CB 3.36Å; E440-K444 WeakPolarHBondContact O-CG 3.38Å; E440-K444 PolarHBondContact O-N 2.92Å; E440-K444 VanDerWaalsContact OE1-CE 3.28Å; E440-K444 WeakPolarHBondContact OE1-CE 3.19Å; E440-K444 IonicContact OE1-NZ 3.53Å; E440-K444 PolarHBondContact OE1-NZ 2.91Å; S441-K444 PolarHBondContact O-N 2.95Å; L442-K444 VanDerWaalsContact C-N 3.33Å; L442-K444 PolarHBondContact O-N 3.48Å; K444-H448 WeakPolarHBondContact O-CB 3.33Å; K444-H448 PolarHBondContact O-N 3.29Å; K444-H448 VanDerWaalsContact O-N 3.15Å |
| 445 | Q | 76.8 | Confident | 70.9 | Confident | 122 Ų | 122 | 115.3 Ų | 115.3 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.3 | -42.9 | 173.9 | -73.5 | 175.5 | 3.9 | 0 | 0 | 112 | S441 L442 R443 H448 V449 | S441-Q445 WeakPolarHBondContact O-CG 3.41Å; S441-Q445 PolarHBondContact O-N 3.2Å; L442-Q445 WeakPolarHBondContact O-CB 3.12Å; L442-Q445 PolarHBondContact O-N 3.34Å; L442-Q445 VanDerWaalsContact O-N 3.12Å; R443-Q445 VanDerWaalsContact C-N 3.29Å; R443-Q445 PolarHBondContact O-N 2.99Å; Q445-H448 PolarHBondContact O-N 3.32Å; Q445-V449 VanDerWaalsContact O-CG2 3.29Å; Q445-V449 WeakPolarHBondContact O-CG2 3.41Å; Q445-V449 PolarHBondContact O-N 3.18Å |
| 446 | E | 73.9 | Confident | 69 | Low | 129 Ų | 129 | 114.4 Ų | 114.4 | 60% | 0.603 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.9 | -43.7 | 176 | -72.9 | 178.1 | 168.7 | 0 | 0 | 111.6 | L442 R443 H448 V449 T450 | L442-E446 WeakPolarHBondContact O-CG 3.47Å; L442-E446 PolarHBondContact O-N 3.17Å; R443-E446 PolarHBondContact O-N 3.26Å; E446-H448 VanDerWaalsContact C-N 3.33Å; E446-H448 PolarHBondContact O-N 3.22Å; E446-V449 PolarHBondContact O-N 2.98Å; E446-V449 VanDerWaalsContact O-N 3.17Å; E446-T450 PolarHBondContact O-N 3.1Å; E446-T450 VanDerWaalsContact O-N 3.07Å; E446-T450 PolarHBondContact O-OG1 3.41Å; E446-T450 VanDerWaalsContact O-OG1 3.09Å |
| 447 | E | 70.8 | Confident | 66.9 | Low | 130 Ų | 130 | 117.6 Ų | 117.6 | 61% | 0.607 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.2 | -41.7 | 174.6 | -75.1 | 175.7 | 175.1 | 0 | 0 | 111.6 | R443 V449 T450 E451 | R443-E447 WeakPolarHBondContact O-CB 3.47Å; R443-E447 WeakPolarHBondContact O-CG 3.45Å; R443-E447 PolarHBondContact O-N 3.04Å; E447-V449 VanDerWaalsContact C-N 3.32Å; E447-V449 PolarHBondContact O-N 3.15Å; E447-T450 WeakPolarHBondContact CA-OG1 3.38Å; E447-T450 PolarHBondContact O-N 2.96Å; E447-T450 PolarHBondContact O-OG1 3.47Å; E447-E451 PolarHBondContact O-N 3.45Å |
| 448 | H | 60.7 | Low | 64.8 | Low | 146 Ų | 146 | 120.5 Ų | 120.5 | 68% | 0.676 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -66.2 | -28.8 | 175.5 | -108.5 | -52.4 | 0 | 0 | 0 | 114.2 | K444 Q445 E446 | K444-H448 WeakPolarHBondContact O-CB 3.33Å; K444-H448 PolarHBondContact O-N 3.29Å; K444-H448 VanDerWaalsContact O-N 3.15Å; Q445-H448 PolarHBondContact O-N 3.32Å; E446-H448 VanDerWaalsContact C-N 3.33Å; E446-H448 PolarHBondContact O-N 3.22Å |
| 449 | V | 59.5 | Low | 62.8 | Low | 123 Ų | 123 | 127.6 Ų | 127.6 | 75% | 0.745 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -81 | -25.6 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | Q445 E446 E447 | Q445-V449 VanDerWaalsContact O-CG2 3.29Å; Q445-V449 WeakPolarHBondContact O-CG2 3.41Å; Q445-V449 PolarHBondContact O-N 3.18Å; E446-V449 PolarHBondContact O-N 2.98Å; E446-V449 VanDerWaalsContact O-N 3.17Å; E447-V449 VanDerWaalsContact C-N 3.32Å; E447-V449 PolarHBondContact O-N 3.15Å |
| 450 | T | 54.5 | Low | 60.7 | Low | 114 Ų | 114 | 130.4 Ų | 130.4 | 70% | 0.699 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -82.4 | -12.3 | 177.3 | 44.7 | 0 | 0 | 0 | 0 | 115.4 | E446 E447 P452 | E446-T450 PolarHBondContact O-N 3.1Å; E446-T450 VanDerWaalsContact O-N 3.07Å; E446-T450 PolarHBondContact O-OG1 3.41Å; E446-T450 VanDerWaalsContact O-OG1 3.09Å; E447-T450 WeakPolarHBondContact CA-OG1 3.38Å; E447-T450 PolarHBondContact O-N 2.96Å; E447-T450 PolarHBondContact O-OG1 3.47Å; T450-P452 WeakPolarHBondContact O-CD 3.46Å |
| 451 | E | 47.3 | Very low | 58.6 | Low | 141 Ų | 141 | 128.8 Ų | 128.8 | 66% | 0.659 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -73.6 | 116.9 | 165.5 | -72.5 | -168.7 | 159.3 | 0 | 0 | 109.3 | E447 A453 | E447-E451 PolarHBondContact O-N 3.45Å; E451-A453 PolarHBondContact O-N 3.5Å; E451-A453 VanDerWaalsContact O-N 3.12Å |
| 452 | P | 48.1 | Very low | 56.6 | Low | 126 Ų | 126 | 134.7 Ų | 134.7 | 82% | 0.818 | 71% | 0.708 | S | S | * | * | trans | -69.9 | 115.4 | -172.6 | 26.1 | -31.1 | 0 | 0 | 0 | 110.7 | T450 | T450-P452 WeakPolarHBondContact O-CD 3.46Š| ||
| 453 | A | 49.3 | Very low | 54.5 | Low | 88 Ų | 88 | 143.2 Ų | 143.2 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -58.2 | 135.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E451 L455 | E451-A453 PolarHBondContact O-N 3.5Å; E451-A453 VanDerWaalsContact O-N 3.12Å; A453-L455 PolarHBondContact O-N 2.98Å | ||
| 454 | P | 50.2 | Low | 53.2 | Low | 118 Ų | 118 | 141.8 Ų | 141.8 | 77% | 0.766 | 75% | 0.751 | S | S | * | * | trans | -67.1 | 121.7 | -176.8 | 25.3 | -30.9 | 0 | 0 | 0 | 110.6 | V456 | P454-V456 PolarHBondContact O-N 3.43Å; P454-V456 VanDerWaalsContact O-N 3.1Å | ||
| 455 | L | 47.2 | Very low | 51.7 | Low | 166 Ų | 166 | 143.4 Ų | 143.4 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | trans | -61.7 | 106.4 | 175.6 | -80.5 | 157.6 | 0 | 0 | 0 | 110.5 | A453 | A453-L455 PolarHBondContact O-N 2.98Š| ||
| 456 | V | 48 | Very low | 50.4 | Low | 119 Ų | 119 | 144.6 Ų | 144.6 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | trans | -94.3 | 118.3 | 167.7 | -178.4 | 0 | 0 | 0 | 0 | 108 | P454 | P454-V456 PolarHBondContact O-N 3.43Å; P454-V456 VanDerWaalsContact O-N 3.1Å | ||
| 457 | F | 42.5 | Very low | 49 | Very low | 179 Ų | 179 | 145.5 Ų | 145.5 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -81.6 | 115.8 | 172.2 | -94.9 | -93.7 | 0 | 0 | 0 | 109.3 | ||||
| 458 | D | 43.5 | Very low | 47.6 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -84.6 | 123.3 | 168.8 | -77.8 | -31.5 | 0 | 0 | 0 | 110.3 | ||||
| 459 | F | 44.6 | Very low | 46.7 | Very low | 202 Ų | 202 | 146.5 Ų | 146.5 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | trans | -94.4 | 102 | 169.7 | -108.4 | -89.3 | 0 | 0 | 0 | 108.1 | ||||
| 460 | D | 44.2 | Very low | 45.8 | Very low | 158 Ų | 158 | 148.1 Ų | 148.1 | 85% | 0.845 | 81% | 0.809 | S | S | * | * | trans | -90 | 119.7 | 167.5 | -88.3 | -25.8 | 0 | 0 | 0 | 110.1 | ||||
| 461 | G | 42.3 | Very low | 45.2 | Very low | 65 Ų | 65 | 150.8 Ų | 150.8 | 67% | 0.67 | 82% | 0.818 | S | S | * | * | trans | -88.4 | 137.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 462 | H | 40.9 | Very low | 45 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 86% | 0.861 | 83% | 0.831 | S | S | * | * | trans | -142.6 | 123.7 | 153.6 | -85.2 | -65.3 | 0 | 0 | 0 | 109.6 | ||||
| 463 | E | 39 | Very low | 44.7 | Very low | 268 Ų | 268 | 153.9 Ų | 153.9 | 100% | 1.252 | 83% | 0.832 | S | S | * | * | trans | 21.3 | 0 | 164.6 | -65.5 | -177.4 | 160.7 | 0 | 0 | 121.4 |
Retrieved 463 of 463 residues in 190 ms
(Link to these results)