| 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 | 34.9 | Very low | 35.9 | Very low | 251 Ų | 251 | 143.6 Ų | 143.6 | 100% | 1.236 | 81% | 0.812 | S | S | * | * | 0 | 102 | 0 | -65.9 | 174.2 | -179.4 | 0 | 0 | 105.6 | |||||
| 2 | G | 32.1 | Very low | 35.8 | Very low | 71 Ų | 71 | 144.3 Ų | 144.3 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | cis | 107.3 | 93.4 | 43.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 3 | V | 37.8 | Very low | 36.3 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 83% | 0.83 | 80% | 0.796 | S | S | * | * | trans | 54.3 | 122.7 | 148.1 | -164.2 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 4 | G | 28 | Very low | 36.7 | Very low | 76 Ų | 76 | 147.6 Ų | 147.6 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -161.9 | 58.3 | 170 | 0 | 0 | 0 | 0 | 0 | 111.6 | R6 | G4-R6 PolarHBondContact O-N 3.1Š| ||
| 5 | D | 41.3 | Very low | 36.8 | Very low | 137 Ų | 137 | 147.8 Ų | 147.8 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -37 | 126.3 | 166.1 | -79.7 | -48.3 | 0 | 0 | 0 | 112.1 | ||||
| 6 | R | 35.1 | Very low | 36.6 | Very low | 231 Ų | 231 | 147.3 Ų | 147.3 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -141.7 | 101.5 | 135.5 | -91.6 | -169.9 | -82.4 | -137.9 | -2 | 108 | G4 F8 | G4-R6 PolarHBondContact O-N 3.1Å; R6-F8 PolarHBondContact O-N 3.3Å | ||
| 7 | C | 35.8 | Very low | 36.9 | Very low | 119 Ų | 119 | 151.8 Ų | 151.8 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -26.5 | 102.6 | 157.1 | -76.6 | 0 | 0 | 0 | 0 | 111.2 | S9 | C7-S9 PolarHBondContact O-N 3.19Š| ||
| 8 | F | 37.4 | Very low | 37.6 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 82% | 0.82 | 78% | 0.779 | S | S | * | * | trans | -68.1 | 97.3 | 156.1 | -88.8 | -85.1 | 0 | 0 | 0 | 106 | R6 V10 | R6-F8 PolarHBondContact O-N 3.3Å; F8-V10 PolarHBondContact O-N 3.17Å | ||
| 9 | S | 32.8 | Very low | 38.3 | Very low | 70 Ų | 70 | 147.2 Ų | 147.2 | 49% | 0.49 | 77% | 0.771 | S | S | . | * | trans | -53 | 139.1 | -177.6 | 74.4 | 0 | 0 | 0 | 0 | 110.6 | C7 M11 Q12 | C7-S9 PolarHBondContact O-N 3.19Å; S9-M11 PolarHBondContact O-N 3.12Å; S9-Q12 PolarHBondContact O-N 3.28Å | ||
| 10 | V | 42.5 | Very low | 39.4 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.9 | 4.4 | 176.3 | -179.2 | 0 | 0 | 0 | 0 | 113.4 | F8 | F8-V10 PolarHBondContact O-N 3.17Š|
| 11 | M | 36.9 | Very low | 40.5 | Very low | 166 Ų | 166 | 139.2 Ų | 139.2 | 82% | 0.818 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -15 | -178.7 | -87 | 177 | 169.2 | 0 | 0 | 115.6 | S9 | S9-M11 PolarHBondContact O-N 3.12Š|
| 12 | Q | 35.2 | Very low | 42.1 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -87.7 | -4.6 | 177.1 | -83.5 | -165.7 | -22.6 | 0 | 0 | 114.9 | S9 K14 | S9-Q12 PolarHBondContact O-N 3.28Å; Q12-K14 PolarHBondContact O-N 2.89Å |
| 13 | I | 42.8 | Very low | 44.3 | Very low | 138 Ų | 138 | 133.1 Ų | 133.1 | 71% | 0.708 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -76.9 | -9.7 | 178.7 | -65.3 | 170.2 | 0 | 0 | 0 | 112.2 | ||
| 14 | K | 40.8 | Very low | 46.1 | Very low | 198 Ų | 198 | 130.2 Ų | 130.2 | 86% | 0.861 | 66% | 0.661 | S | S | * | * | G | 310 helix | trans | -88.8 | -2.7 | -174.2 | -109.5 | 169.1 | 178.8 | 172.8 | 0 | 116.2 | Q12 | Q12-K14 PolarHBondContact O-N 2.89Š|
| 15 | I | 38.1 | Very low | 48.5 | Very low | 150 Ų | 150 | 126.6 Ų | 126.6 | 77% | 0.769 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -133 | 20.7 | -169.7 | -47.2 | 178.9 | 0 | 0 | 0 | 113.6 | ||
| 16 | M | 34.8 | Very low | 50.5 | Low | 139 Ų | 139 | 122.6 Ų | 122.6 | 69% | 0.685 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -110.4 | 94.5 | 162.3 | -76.4 | -133.2 | -80.1 | 0 | 0 | 110.2 | S18 | M16-S18 PolarHBondContact O-N 3.19Š|
| 17 | R | 40.8 | Very low | 52.6 | Low | 224 Ų | 224 | 118.9 Ų | 118.9 | 85% | 0.845 | 59% | 0.589 | S | S | * | * | trans | -43.3 | 110.4 | 179.6 | -70.2 | 169.6 | 167.6 | 174.2 | -4.6 | 113.1 | K19 P20 | R17-K19 PolarHBondContact O-N 3.4Å; R17-P20 WeakPolarHBondContact O-CD 3.37Å | ||
| 18 | S | 50.4 | Low | 54.8 | Low | 72 Ų | 72 | 114 Ų | 114 | 50% | 0.503 | 56% | 0.556 | S | S | . | * | S | Bend | trans | 34.1 | -48.9 | 153.4 | 60.2 | 0 | 0 | 0 | 0 | 121.1 | M16 H21 E22 | M16-S18 PolarHBondContact O-N 3.19Å; S18-H21 PolarHBondContact O-N 2.81Å; S18-E22 PolarHBondContact O-N 3.13Å |
| 19 | K | 49.9 | Very low | 56.9 | Low | 145 Ų | 145 | 107.2 Ų | 107.2 | 63% | 0.63 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.4 | -44.2 | -172.1 | -68.9 | -172.2 | 171.8 | -171.8 | 0 | 116.4 | R17 H21 E22 E23 | R17-K19 PolarHBondContact O-N 3.4Å; K19-H21 PolarHBondContact O-N 3.11Å; K19-E22 PolarHBondContact O-N 3.33Å; K19-E23 PolarHBondContact O-N 3.28Å; K19-E23 VanDerWaalsContact O-N 3.11Å |
| 20 | P | 59.8 | Low | 59.3 | Low | 51 Ų | 51 | 111.6 Ų | 111.6 | 33% | 0.331 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -71.4 | -22 | -178.8 | 27 | -29.3 | 0 | 0 | 0 | 111.9 | R17 V24 | R17-P20 WeakPolarHBondContact O-CD 3.37Å; P20-V24 WeakPolarHBondContact O-CB 3.45Å; P20-V24 WeakPolarHBondContact O-CG2 3.36Å; P20-V24 PolarHBondContact O-N 3.43Å |
| 21 | H | 63.9 | Low | 61.4 | Low | 75 Ų | 75 | 110.5 Ų | 110.5 | 35% | 0.347 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -78.1 | -30.9 | 175.3 | -65.9 | -63.1 | 0 | 0 | 0 | 112.4 | S18 K19 G25 V44 | S18-H21 PolarHBondContact O-N 2.81Å; K19-H21 PolarHBondContact O-N 3.11Å; H21-G25 PolarHBondContact O-N 2.9Å; H21-V44 HydrophobicContact CB-CG2 3.61Å |
| 22 | E | 68.7 | Low | 63.5 | Low | 67 Ų | 67 | 104.2 Ų | 104.2 | 31% | 0.313 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.6 | -48 | 170.1 | -70.1 | -176.8 | 150.1 | 0 | 0 | 111.2 | S18 K19 V24 G25 D26 V44 | S18-E22 PolarHBondContact O-N 3.13Å; K19-E22 PolarHBondContact O-N 3.33Å; E22-V24 VanDerWaalsContact C-N 3.34Å; E22-V24 PolarHBondContact O-N 3.09Å; E22-G25 CarbonylContact O-C 3.57Å; E22-G25 WeakPolarHBondContact O-CA 3.41Å; E22-G25 PolarHBondContact O-N 3.47Å; E22-G25 VanDerWaalsContact O-N 3.09Å; E22-D26 PolarHBondContact O-N 2.71Å; E22-V44 HydrophobicContact CG-CG1 3.53Å |
| 23 | E | 76.9 | Confident | 65.9 | Low | 128 Ų | 128 | 101.4 Ų | 101.4 | 60% | 0.598 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.9 | -39.1 | 178.8 | -69.3 | 171.3 | -170.9 | 0 | 0 | 112.4 | K19 R27 | K19-E23 PolarHBondContact O-N 3.28Å; K19-E23 VanDerWaalsContact O-N 3.11Å; E23-R27 WeakPolarHBondContact O-CB 3.35Å; E23-R27 WeakPolarHBondContact O-CG 3.45Å; E23-R27 PolarHBondContact O-N 2.91Å |
| 24 | V | 76.5 | Confident | 67.8 | Low | 75 Ų | 75 | 97.9 Ų | 97.9 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.4 | -37.5 | 173.6 | 173.5 | 0 | 0 | 0 | 0 | 111 | P20 E22 C28 L40 | P20-V24 WeakPolarHBondContact O-CB 3.45Å; P20-V24 WeakPolarHBondContact O-CG2 3.36Å; P20-V24 PolarHBondContact O-N 3.43Å; E22-V24 VanDerWaalsContact C-N 3.34Å; E22-V24 PolarHBondContact O-N 3.09Å; V24-C28 WeakPolarHBondContact O-CB 3.39Å; V24-C28 PolarHBondContact O-N 3.35Å; V24-C28 PolarHBondContact O-SG 3.08Å; V24-L40 HydrophobicContact CG1-CD1 3.99Å |
| 25 | G | 79 | Confident | 69.8 | Low | 0 Ų | 0 | 95.7 Ų | 95.7 | 0% | 0 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H21 E22 R27 C28 Y29 Y41 | H21-G25 PolarHBondContact O-N 2.9Å; E22-G25 CarbonylContact O-C 3.57Å; E22-G25 WeakPolarHBondContact O-CA 3.41Å; E22-G25 PolarHBondContact O-N 3.47Å; E22-G25 VanDerWaalsContact O-N 3.09Å; G25-R27 VanDerWaalsContact C-N 3.35Å; G25-R27 PolarHBondContact O-N 3.23Å; G25-C28 PolarHBondContact O-N 3.07Å; G25-Y29 WeakPolarHBondContact O-CB 3.47Å; G25-Y29 PolarHBondContact O-N 3.4Å; G25-Y41 PolarHBondContact O-OH 3.17Å |
| 26 | D | 81.4 | Confident | 71.8 | Confident | 53 Ų | 53 | 90.6 Ų | 90.6 | 28% | 0.283 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 178.9 | -71.1 | -11.8 | 0 | 0 | 0 | 111.1 | E22 Y29 E30 Y41 R49 | E22-D26 PolarHBondContact O-N 2.71Å; D26-Y29 WeakPolarHBondContact O-CB 3.31Å; D26-Y29 PolarHBondContact O-N 3.42Å; D26-E30 WeakPolarHBondContact O-CG 3.31Å; D26-E30 PolarHBondContact O-N 2.84Å; D26-Y41 VanDerWaalsContact CA-OH 3.27Å; D26-Y41 WeakPolarHBondContact CA-OH 3.32Å; D26-Y41 PolarHBondContact N-OH 3.24Å; D26-Y41 PolarHBondContact OD1-OH 3.26Å; D26-R49 IonicContact OD1-NE 3.93Å |
| 27 | R | 80.9 | Confident | 74 | Confident | 153 Ų | 153 | 84 Ų | 84 | 58% | 0.577 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -64.3 | -44 | 172.7 | -76 | -168.8 | 61.4 | -170.6 | -8.6 | 113.3 | E23 G25 Y29 E30 E31 | E23-R27 WeakPolarHBondContact O-CB 3.35Å; E23-R27 WeakPolarHBondContact O-CG 3.45Å; E23-R27 PolarHBondContact O-N 2.91Å; G25-R27 VanDerWaalsContact C-N 3.35Å; G25-R27 PolarHBondContact O-N 3.23Å; R27-Y29 PolarHBondContact O-N 3.4Å; R27-E30 PolarHBondContact O-N 3.48Å; R27-E31 IonicContact CZ-OE1 3.93Å; R27-E31 IonicContact NE-OE1 3.88Å; R27-E31 IonicContact NH2-OE1 3.07Å; R27-E31 PolarHBondContact NH2-OE1 3.02Å; R27-E31 VanDerWaalsContact NH2-OE1 3.07Å; R27-E31 WeakPolarHBondContact O-CB 3.41Å; R27-E31 WeakPolarHBondContact O-CG 3.48Å; R27-E31 PolarHBondContact O-N 2.96Å |
| 28 | C | 80.2 | Confident | 76 | Confident | 18 Ų | 18 | 76.2 Ų | 76.2 | 12% | 0.122 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -62.5 | -33.1 | 175.6 | -71 | 0 | 0 | 0 | 0 | 111.9 | V24 G25 G32 M33 A37 | V24-C28 WeakPolarHBondContact O-CB 3.39Å; V24-C28 PolarHBondContact O-N 3.35Å; V24-C28 PolarHBondContact O-SG 3.08Å; G25-C28 PolarHBondContact O-N 3.07Å; C28-G32 PolarHBondContact O-N 2.9Å; C28-M33 HydrophobicContact CB-CB 4.5Å; C28-M33 PolarHBondContact O-N 3.01Å; C28-A37 HydrophobicContact CB-CB 4.24Å |
| 29 | Y | 82.3 | Confident | 77.5 | Confident | 43 Ų | 43 | 78.2 Ų | 78.2 | 17% | 0.169 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -68.2 | -45.9 | 174.7 | -177 | -96.6 | 0 | 0 | 0 | 112.2 | G25 D26 R27 E31 G32 Y34 S52 T53 H56 | G25-Y29 WeakPolarHBondContact O-CB 3.47Å; G25-Y29 PolarHBondContact O-N 3.4Å; D26-Y29 WeakPolarHBondContact O-CB 3.31Å; D26-Y29 PolarHBondContact O-N 3.42Å; R27-Y29 PolarHBondContact O-N 3.4Å; Y29-E31 VanDerWaalsContact C-N 3.29Å; Y29-E31 PolarHBondContact O-N 2.99Å; Y29-G32 PolarHBondContact O-N 2.82Å; Y29-G32 VanDerWaalsContact O-N 3.14Å; Y29-Y34 AromaticContact CD2-CD1 3.88Å; Y29-Y34 HydrophobicContact CD2-CD1 3.88Å; Y29-Y34 AromaticContact CD2-CE1 3.76Å; Y29-Y34 HydrophobicContact CD2-CE1 3.76Å; Y29-Y34 HydrophobicContact CE2-CD1 4.03Å; Y29-Y34 AromaticContact CE2-CE1 3.7Å; Y29-Y34 HydrophobicContact CE2-CE1 3.7Å; Y29-S52 PolarHBondContact OH-OG 2.97Å; Y29-T53 HydrophobicContact CD2-CG2 3.35Å; Y29-T53 HydrophobicContact CE2-CG2 3.7Å; Y29-T53 HydrophobicContact CG-CG2 4.46Å; Y29-H56 AromaticContact CE2-CD2 3.81Å; Y29-H56 AromaticContact CZ-CD2 3.86Å; Y29-H56 AromaticContact CZ-NE2 3.97Å; Y29-H56 PolarHBondContact OH-CD2 3.01Å; Y29-H56 PolarHBondContact OH-NE2 3.2Å |
| 30 | E | 84 | Confident | 79 | Confident | 163 Ų | 163 | 73.2 Ų | 73.2 | 76% | 0.762 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.2 | -35.1 | 175.6 | -72.6 | 175.9 | 179.2 | 0 | 0 | 112.5 | D26 R27 G32 | D26-E30 WeakPolarHBondContact O-CG 3.31Å; D26-E30 PolarHBondContact O-N 2.84Å; R27-E30 PolarHBondContact O-N 3.48Å; E30-G32 PolarHBondContact O-N 2.93Å |
| 31 | E | 85.2 | Confident | 80 | Confident | 111 Ų | 111 | 70.8 Ų | 70.8 | 52% | 0.519 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.9 | 177.1 | -68.1 | 174.6 | -169.4 | 0 | 0 | 113.1 | R27 Y29 M33 | R27-E31 IonicContact CZ-OE1 3.93Å; R27-E31 IonicContact NE-OE1 3.88Å; R27-E31 IonicContact NH2-OE1 3.07Å; R27-E31 PolarHBondContact NH2-OE1 3.02Å; R27-E31 VanDerWaalsContact NH2-OE1 3.07Å; R27-E31 WeakPolarHBondContact O-CB 3.41Å; R27-E31 WeakPolarHBondContact O-CG 3.48Å; R27-E31 PolarHBondContact O-N 2.96Å; Y29-E31 VanDerWaalsContact C-N 3.29Å; Y29-E31 PolarHBondContact O-N 2.99Å; E31-M33 VanDerWaalsContact C-N 3.32Å; E31-M33 HydrophobicContact CB-CE 4.12Å; E31-M33 PolarHBondContact O-N 3.49Å; E31-M33 WeakPolarHBondContact OE2-CE 3.38Å |
| 32 | G | 81.2 | Confident | 80.9 | Confident | 35 Ų | 35 | 69.9 Ų | 69.9 | 36% | 0.361 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 10.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | C28 Y29 E30 Y34 | C28-G32 PolarHBondContact O-N 2.9Å; Y29-G32 PolarHBondContact O-N 2.82Å; Y29-G32 VanDerWaalsContact O-N 3.14Å; E30-G32 PolarHBondContact O-N 2.93Å; G32-Y34 VanDerWaalsContact C-N 3.29Å; G32-Y34 VanDerWaalsContact O-CD2 3.26Å; G32-Y34 WeakPolarHBondContact O-CD2 3.46Å; G32-Y34 PolarHBondContact O-N 2.98Å |
| 33 | M | 85.9 | Confident | 81.6 | Confident | 91 Ų | 91 | 73.2 Ų | 73.2 | 45% | 0.448 | 37% | 0.372 | S | S | . | . | trans | -85.1 | 67.2 | 177.8 | -69.7 | -171.3 | -78.3 | 0 | 0 | 111.4 | C28 E31 E35 A36 A37 | C28-M33 HydrophobicContact CB-CB 4.5Å; C28-M33 PolarHBondContact O-N 3.01Å; E31-M33 VanDerWaalsContact C-N 3.32Å; E31-M33 HydrophobicContact CB-CE 4.12Å; E31-M33 PolarHBondContact O-N 3.49Å; E31-M33 WeakPolarHBondContact OE2-CE 3.38Å; M33-E35 PolarHBondContact O-N 3.47Å; M33-A36 HydrophobicContact CB-CB 4.39Å; M33-A36 PolarHBondContact O-N 2.93Å; M33-A37 PolarHBondContact O-N 2.94Å | ||
| 34 | Y | 83.5 | Confident | 81.7 | Confident | 64 Ų | 64 | 68.4 Ų | 68.4 | 25% | 0.251 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.7 | -31.8 | -171.1 | -57.4 | -66.1 | 0 | 0 | 0 | 114.5 | Y29 G32 A37 K38 H56 | Y29-Y34 AromaticContact CD2-CD1 3.88Å; Y29-Y34 HydrophobicContact CD2-CD1 3.88Å; Y29-Y34 AromaticContact CD2-CE1 3.76Å; Y29-Y34 HydrophobicContact CD2-CE1 3.76Å; Y29-Y34 HydrophobicContact CE2-CD1 4.03Å; Y29-Y34 AromaticContact CE2-CE1 3.7Å; Y29-Y34 HydrophobicContact CE2-CE1 3.7Å; G32-Y34 VanDerWaalsContact C-N 3.29Å; G32-Y34 VanDerWaalsContact O-CD2 3.26Å; G32-Y34 WeakPolarHBondContact O-CD2 3.46Å; G32-Y34 PolarHBondContact O-N 2.98Å; Y34-A37 PolarHBondContact O-N 3.46Å; Y34-K38 WeakPolarHBondContact O-CB 3.29Å; Y34-K38 PolarHBondContact O-N 2.85Å; Y34-H56 HydrophobicContact CD1-CB 3.78Å; Y34-H56 HydrophobicContact CD2-CB 3.96Å; Y34-H56 HydrophobicContact CE1-CB 3.72Å; Y34-H56 AromaticContact CE1-CD2 3.91Å; Y34-H56 AromaticContact CE1-CG 3.79Å; Y34-H56 HydrophobicContact CE2-CB 3.9Å; Y34-H56 HydrophobicContact CG-CB 3.9Å; Y34-H56 AromaticContact CZ-CG 3.81Å |
| 35 | E | 81.3 | Confident | 81.8 | Confident | 153 Ų | 153 | 68.5 Ų | 68.5 | 72% | 0.715 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -65.8 | -42 | 177 | -66.1 | -175.7 | 171.2 | 0 | 0 | 112.2 | M33 K38 L39 L57 | M33-E35 PolarHBondContact O-N 3.47Å; E35-K38 PolarHBondContact O-N 3.24Å; E35-L39 PolarHBondContact O-N 3.23Å; E35-L57 HydrophobicContact CG-CD2 3.88Å |
| 36 | A | 80.4 | Confident | 82 | Confident | 43 Ų | 43 | 70.5 Ų | 70.5 | 36% | 0.355 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.4 | -42.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | M33 K38 L39 L40 | M33-A36 HydrophobicContact CB-CB 4.39Å; M33-A36 PolarHBondContact O-N 2.93Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 3.38Å; A36-L39 PolarHBondContact O-N 3.32Å; A36-L40 WeakPolarHBondContact O-CG 3.32Å; A36-L40 PolarHBondContact O-N 3.14Å; A36-L40 VanDerWaalsContact O-N 3.11Å |
| 37 | A | 81 | Confident | 82 | Confident | 0 Ų | 0 | 71.2 Ų | 71.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.7 | -38.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | C28 M33 Y34 L39 L40 Y41 T53 | C28-A37 HydrophobicContact CB-CB 4.24Å; M33-A37 PolarHBondContact O-N 2.94Å; Y34-A37 PolarHBondContact O-N 3.46Å; A37-L39 PolarHBondContact O-N 3.21Å; A37-L40 PolarHBondContact O-N 2.84Å; A37-Y41 HydrophobicContact CB-CD2 4.15Å; A37-Y41 HydrophobicContact CB-CE2 3.97Å; A37-Y41 WeakPolarHBondContact O-CB 3.38Å; A37-Y41 WeakPolarHBondContact O-CD2 3.27Å; A37-Y41 PolarHBondContact O-N 2.85Å; A37-T53 HydrophobicContact CB-CG2 4Å |
| 38 | K | 83.6 | Confident | 81.9 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 27% | 0.265 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.8 | -47.7 | 174.8 | 176.1 | 179.1 | 173.2 | 171 | 0 | 112.2 | Y34 E35 A36 S42 L50 L54 L57 E59 | Y34-K38 WeakPolarHBondContact O-CB 3.29Å; Y34-K38 PolarHBondContact O-N 2.85Å; E35-K38 PolarHBondContact O-N 3.24Å; A36-K38 VanDerWaalsContact C-N 3.31Å; A36-K38 PolarHBondContact O-N 3.38Å; K38-S42 VanDerWaalsContact O-CB 3.31Å; K38-S42 WeakPolarHBondContact O-CB 3.44Å; K38-S42 PolarHBondContact O-N 3.22Å; K38-S42 PolarHBondContact O-OG 2.91Å; K38-L50 HydrophobicContact CB-CD1 4.42Å; K38-L50 HydrophobicContact CG-CD1 4.06Å; K38-L50 WeakPolarHBondContact O-CD1 3.48Å; K38-L54 HydrophobicContact CD-CD2 3.65Å; K38-L54 HydrophobicContact CG-CD2 4.1Å; K38-L57 HydrophobicContact CB-CD1 4.17Å; K38-L57 HydrophobicContact CD-CD1 3.89Å; K38-E59 IonicContact NZ-OE1 2.8Å; K38-E59 PolarHBondContact NZ-OE1 2.96Å; K38-E59 IonicContact NZ-OE2 2.67Å; K38-E59 PolarHBondContact NZ-OE2 2.86Å |
| 39 | L | 82.1 | Confident | 81.9 | Confident | 113 Ų | 113 | 68.7 Ų | 68.7 | 59% | 0.592 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.9 | -37.6 | 178.9 | -67.8 | 174.3 | 0 | 0 | 0 | 112.2 | E35 A36 A37 S42 N43 | E35-L39 PolarHBondContact O-N 3.23Å; A36-L39 PolarHBondContact O-N 3.32Å; A37-L39 PolarHBondContact O-N 3.21Å; L39-S42 PolarHBondContact O-OG 3.43Å; L39-N43 WeakPolarHBondContact O-CB 3.28Å; L39-N43 PolarHBondContact O-N 3.49Å; L39-N43 PolarHBondContact O-ND2 3.5Å |
| 40 | L | 80.5 | Confident | 82 | Confident | 41 Ų | 41 | 67.1 Ų | 67.1 | 22% | 0.215 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -67.5 | -50.5 | 177.7 | -68.4 | 172.1 | 0 | 0 | 0 | 110.9 | V24 A36 A37 S42 N43 V44 | V24-L40 HydrophobicContact CG1-CD1 3.99Å; A36-L40 WeakPolarHBondContact O-CG 3.32Å; A36-L40 PolarHBondContact O-N 3.14Å; A36-L40 VanDerWaalsContact O-N 3.11Å; A37-L40 PolarHBondContact O-N 2.84Å; L40-S42 PolarHBondContact O-N 2.94Å; L40-N43 PolarHBondContact O-N 2.94Å; L40-V44 VanDerWaalsContact O-CG2 3.27Å; L40-V44 WeakPolarHBondContact O-CG2 3.47Å; L40-V44 PolarHBondContact O-N 2.81Å |
| 41 | Y | 82 | Confident | 81.9 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -69.7 | -29.7 | -179.6 | -65.7 | -52.8 | 0 | 0 | 0 | 113.4 | G25 D26 A37 N43 V44 S45 N46 R49 T53 | G25-Y41 PolarHBondContact O-OH 3.17Å; D26-Y41 VanDerWaalsContact CA-OH 3.27Å; D26-Y41 WeakPolarHBondContact CA-OH 3.32Å; D26-Y41 PolarHBondContact N-OH 3.24Å; D26-Y41 PolarHBondContact OD1-OH 3.26Å; A37-Y41 HydrophobicContact CB-CD2 4.15Å; A37-Y41 HydrophobicContact CB-CE2 3.97Å; A37-Y41 WeakPolarHBondContact O-CB 3.38Å; A37-Y41 WeakPolarHBondContact O-CD2 3.27Å; A37-Y41 PolarHBondContact O-N 2.85Å; Y41-N43 VanDerWaalsContact C-N 3.32Å; Y41-V44 PolarHBondContact O-N 3.41Å; Y41-S45 PolarHBondContact O-N 3.23Å; Y41-N46 HydrophobicContact CD1-CB 4.22Å; Y41-N46 PolarHBondContact O-N 3.45Å; Y41-R49 HydrophobicContact CD1-CB 3.87Å; Y41-R49 HydrophobicContact CD2-CB 4.03Å; Y41-R49 HydrophobicContact CE1-CB 3.6Å; Y41-R49 HydrophobicContact CE1-CG 4.07Å; Y41-R49 HydrophobicContact CE2-CB 3.77Å; Y41-R49 HydrophobicContact CG-CB 4.07Å; Y41-T53 HydrophobicContact CD2-CG2 3.57Å; Y41-T53 HydrophobicContact CE2-CG2 3.46Å; Y41-T53 VanDerWaalsContact CE2-CG2 3.46Å |
| 42 | S | 83.2 | Confident | 81.7 | Confident | 56 Ų | 56 | 54.6 Ų | 54.6 | 39% | 0.392 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 172.1 | 67.1 | 0 | 0 | 0 | 0 | 112 | K38 L39 L40 | K38-S42 VanDerWaalsContact O-CB 3.31Å; K38-S42 WeakPolarHBondContact O-CB 3.44Å; K38-S42 PolarHBondContact O-N 3.22Å; K38-S42 PolarHBondContact O-OG 2.91Å; L39-S42 PolarHBondContact O-OG 3.43Å; L40-S42 PolarHBondContact O-N 2.94Å |
| 43 | N | 81.6 | Confident | 81.8 | Confident | 136 Ų | 136 | 53 Ų | 53 | 73% | 0.727 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -74.1 | -31.8 | 178.1 | -71.3 | -25.9 | 0 | 0 | 0 | 112.5 | L39 L40 Y41 S45 | L39-N43 WeakPolarHBondContact O-CB 3.28Å; L39-N43 PolarHBondContact O-N 3.49Å; L39-N43 PolarHBondContact O-ND2 3.5Å; L40-N43 PolarHBondContact O-N 2.94Å; Y41-N43 VanDerWaalsContact C-N 3.32Å; N43-S45 VanDerWaalsContact C-N 3.35Å |
| 44 | V | 79.9 | Confident | 81.7 | Confident | 28 Ų | 28 | 48.8 Ų | 48.8 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -85 | -8.9 | 179.3 | 178.6 | 0 | 0 | 0 | 0 | 112.5 | H21 E22 L40 Y41 N46 | H21-V44 HydrophobicContact CB-CG2 3.61Å; E22-V44 HydrophobicContact CG-CG1 3.53Å; L40-V44 VanDerWaalsContact O-CG2 3.27Å; L40-V44 WeakPolarHBondContact O-CG2 3.47Å; L40-V44 PolarHBondContact O-N 2.81Å; Y41-V44 PolarHBondContact O-N 3.41Å; V44-N46 HydrophobicContact CG1-CB 4.4Å; V44-N46 PolarHBondContact O-N 3.42Å |
| 45 | S | 78.8 | Confident | 81.7 | Confident | 77 Ų | 77 | 46.1 Ų | 46.1 | 54% | 0.538 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.9 | 22.8 | -176 | 66.6 | 0 | 0 | 0 | 0 | 114.6 | Y41 N43 F47 | Y41-S45 PolarHBondContact O-N 3.23Å; N43-S45 VanDerWaalsContact C-N 3.35Å; S45-F47 VanDerWaalsContact C-N 3.34Å; S45-F47 VanDerWaalsContact O-CD2 3.24Å; S45-F47 WeakPolarHBondContact O-CD2 3.42Å; S45-F47 WeakPolarHBondContact O-CE2 3.22Å; S45-F47 PolarHBondContact O-N 3.24Å |
| 46 | N | 82.3 | Confident | 81.7 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 22% | 0.219 | 24% | 0.239 | C | C | . | . | trans | -81.7 | 82.9 | 173.3 | -170 | -27.1 | 0 | 0 | 0 | 109.6 | Y41 V44 A48 R49 L50 | Y41-N46 HydrophobicContact CD1-CB 4.22Å; Y41-N46 PolarHBondContact O-N 3.45Å; V44-N46 HydrophobicContact CG1-CB 4.4Å; V44-N46 PolarHBondContact O-N 3.42Å; N46-A48 PolarHBondContact O-N 3.08Å; N46-A48 PolarHBondContact OD1-N 3.41Å; N46-R49 PolarHBondContact OD1-N 2.71Å; N46-L50 VanDerWaalsContact O-CB 3.25Å; N46-L50 WeakPolarHBondContact O-CB 3.31Å; N46-L50 PolarHBondContact O-N 2.86Å | ||
| 47 | F | 81.3 | Confident | 81.9 | Confident | 68 Ų | 68 | 44 Ų | 44 | 30% | 0.298 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.5 | -24.1 | -175.8 | -59.6 | -65.9 | 0 | 0 | 0 | 113.6 | S45 L50 A51 K69 A70 | S45-F47 VanDerWaalsContact C-N 3.34Å; S45-F47 VanDerWaalsContact O-CD2 3.24Å; S45-F47 WeakPolarHBondContact O-CD2 3.42Å; S45-F47 WeakPolarHBondContact O-CE2 3.22Å; S45-F47 PolarHBondContact O-N 3.24Å; F47-L50 HydrophobicContact CD1-CD2 4.33Å; F47-A51 VanDerWaalsContact O-CB 3.32Å; F47-A51 WeakPolarHBondContact O-CB 3.36Å; F47-A51 PolarHBondContact O-N 3.39Å; F47-K69 HydrophobicContact CB-CB 4.46Å; F47-K69 HydrophobicContact CD1-CB 4.25Å; F47-K69 HydrophobicContact CD1-CD 4.18Å; F47-K69 HydrophobicContact CD2-CB 4.12Å; F47-K69 HydrophobicContact CE1-CD 4Å; F47-K69 HydrophobicContact CE2-CB 4.47Å; F47-K69 HydrophobicContact CG-CB 4.01Å; F47-K69 HydrophobicContact CZ-CD 4.4Å; F47-A70 HydrophobicContact CB-CB 3.85Å |
| 48 | A | 80.1 | Confident | 81.9 | Confident | 32 Ų | 32 | 45.9 Ų | 45.9 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -66.9 | -55.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N46 A51 S52 T75 | N46-A48 PolarHBondContact O-N 3.08Å; N46-A48 PolarHBondContact OD1-N 3.41Å; A48-A51 PolarHBondContact O-N 3.21Å; A48-S52 PolarHBondContact O-N 2.94Å; A48-T75 VanDerWaalsContact CA-CG2 3.49Å; A48-T75 HydrophobicContact CB-CG2 3.27Å |
| 49 | R | 80.6 | Confident | 82.1 | Confident | 86 Ų | 86 | 46.8 Ų | 46.8 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -68.7 | -35.6 | 176.7 | -70.5 | -62.4 | -165.9 | -173.9 | 4.4 | 112.1 | D26 Y41 N46 A51 S52 T53 | D26-R49 IonicContact OD1-NE 3.93Å; Y41-R49 HydrophobicContact CD1-CB 3.87Å; Y41-R49 HydrophobicContact CD2-CB 4.03Å; Y41-R49 HydrophobicContact CE1-CB 3.6Å; Y41-R49 HydrophobicContact CE1-CG 4.07Å; Y41-R49 HydrophobicContact CE2-CB 3.77Å; Y41-R49 HydrophobicContact CG-CB 4.07Å; N46-R49 PolarHBondContact OD1-N 2.71Å; R49-A51 PolarHBondContact O-N 2.9Å; R49-S52 WeakPolarHBondContact O-CB 3.47Å; R49-S52 PolarHBondContact O-N 3.43Å; R49-T53 WeakPolarHBondContact O-CG2 3.36Å; R49-T53 PolarHBondContact O-N 3.27Å |
| 50 | L | 82.9 | Confident | 82.3 | Confident | 10 Ų | 10 | 43.4 Ų | 43.4 | 5% | 0.052 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -42.8 | 174.3 | -176.9 | 63.7 | 0 | 0 | 0 | 112.4 | K38 N46 F47 S52 T53 L54 | K38-L50 HydrophobicContact CB-CD1 4.42Å; K38-L50 HydrophobicContact CG-CD1 4.06Å; K38-L50 WeakPolarHBondContact O-CD1 3.48Å; N46-L50 VanDerWaalsContact O-CB 3.25Å; N46-L50 WeakPolarHBondContact O-CB 3.31Å; N46-L50 PolarHBondContact O-N 2.86Å; F47-L50 HydrophobicContact CD1-CD2 4.33Å; L50-S52 VanDerWaalsContact C-N 3.33Å; L50-T53 PolarHBondContact O-N 3.47Å; L50-T53 PolarHBondContact O-OG1 2.98Å; L50-L54 HydrophobicContact CD1-CD1 4.24Å; L50-L54 HydrophobicContact CD1-CG 4.32Å; L50-L54 HydrophobicContact CG-CD1 3.9Å; L50-L54 HydrophobicContact CG-CG 4.43Å; L50-L54 WeakPolarHBondContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CD1 3.39Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.02Å |
| 51 | A | 82.1 | Confident | 82.6 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F47 A48 R49 T53 L54 V55 N66 V79 | F47-A51 VanDerWaalsContact O-CB 3.32Å; F47-A51 WeakPolarHBondContact O-CB 3.36Å; F47-A51 PolarHBondContact O-N 3.39Å; A48-A51 PolarHBondContact O-N 3.21Å; R49-A51 PolarHBondContact O-N 2.9Å; A51-T53 PolarHBondContact O-N 3.36Å; A51-L54 PolarHBondContact O-N 3.37Å; A51-V55 WeakPolarHBondContact O-CG2 3.38Å; A51-V55 PolarHBondContact O-N 3.19Å; A51-V55 VanDerWaalsContact O-N 3.1Å; A51-N66 HydrophobicContact CB-CB 4.23Å; A51-V79 HydrophobicContact CB-CG2 3.81Å |
| 52 | S | 82.2 | Confident | 82.8 | Confident | 12 Ų | 12 | 49.5 Ų | 49.5 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | Y29 A48 R49 L50 L54 V55 H56 | Y29-S52 PolarHBondContact OH-OG 2.97Å; A48-S52 PolarHBondContact O-N 2.94Å; R49-S52 WeakPolarHBondContact O-CB 3.47Å; R49-S52 PolarHBondContact O-N 3.43Å; L50-S52 VanDerWaalsContact C-N 3.33Å; S52-L54 PolarHBondContact O-N 3.06Å; S52-V55 PolarHBondContact O-N 3.33Å; S52-H56 PolarHBondContact O-CD2 3.35Å; S52-H56 PolarHBondContact O-N 2.62Å |
| 53 | T | 82.9 | Confident | 83 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.6 | -38.5 | 177.7 | 68.1 | 0 | 0 | 0 | 0 | 113.1 | Y29 A37 Y41 R49 L50 A51 V55 H56 L57 | Y29-T53 HydrophobicContact CD2-CG2 3.35Å; Y29-T53 HydrophobicContact CE2-CG2 3.7Å; Y29-T53 HydrophobicContact CG-CG2 4.46Å; A37-T53 HydrophobicContact CB-CG2 4Å; Y41-T53 HydrophobicContact CD2-CG2 3.57Å; Y41-T53 HydrophobicContact CE2-CG2 3.46Å; Y41-T53 VanDerWaalsContact CE2-CG2 3.46Å; R49-T53 WeakPolarHBondContact O-CG2 3.36Å; R49-T53 PolarHBondContact O-N 3.27Å; L50-T53 PolarHBondContact O-N 3.47Å; L50-T53 PolarHBondContact O-OG1 2.98Å; A51-T53 PolarHBondContact O-N 3.36Å; T53-V55 VanDerWaalsContact C-N 3.28Å; T53-V55 PolarHBondContact O-N 3.35Å; T53-H56 PolarHBondContact O-N 3.25Å; T53-L57 WeakPolarHBondContact O-CG 3.39Å; T53-L57 PolarHBondContact O-N 3.2Å; T53-L57 VanDerWaalsContact O-N 3.13Å |
| 54 | L | 83.8 | Confident | 83.3 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.016 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.4 | -33 | 178.3 | -73.9 | 168.3 | 0 | 0 | 0 | 112.4 | K38 L50 A51 S52 L57 G58 E59 A62 A63 N66 | K38-L54 HydrophobicContact CD-CD2 3.65Å; K38-L54 HydrophobicContact CG-CD2 4.1Å; L50-L54 HydrophobicContact CD1-CD1 4.24Å; L50-L54 HydrophobicContact CD1-CG 4.32Å; L50-L54 HydrophobicContact CG-CD1 3.9Å; L50-L54 HydrophobicContact CG-CG 4.43Å; L50-L54 WeakPolarHBondContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CD1 3.39Å; L50-L54 WeakPolarHBondContact O-CG 3.41Å; L50-L54 PolarHBondContact O-N 3.02Å; A51-L54 PolarHBondContact O-N 3.37Å; S52-L54 PolarHBondContact O-N 3.06Å; L54-L57 PolarHBondContact O-N 3.3Å; L54-G58 PolarHBondContact O-N 3.3Å; L54-E59 HydrophobicContact CD2-CB 4.22Å; L54-E59 WeakPolarHBondContact CD2-OE2 3.28Å; L54-E59 PolarHBondContact O-N 3.47Å; L54-A62 HydrophobicContact CD1-CB 3.97Å; L54-A62 HydrophobicContact CD2-CB 4.34Å; L54-A63 HydrophobicContact CB-CB 4Å; L54-N66 WeakPolarHBondContact CD1-ND2 3.17Å |
| 55 | V | 82.9 | Confident | 83.7 | Confident | 9 Ų | 9 | 43.5 Ų | 43.5 | 6% | 0.055 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.8 | -41.8 | 174.2 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | A51 S52 T53 L57 G58 Y60 A63 V79 A82 | A51-V55 WeakPolarHBondContact O-CG2 3.38Å; A51-V55 PolarHBondContact O-N 3.19Å; A51-V55 VanDerWaalsContact O-N 3.1Å; S52-V55 PolarHBondContact O-N 3.33Å; T53-V55 VanDerWaalsContact C-N 3.28Å; T53-V55 PolarHBondContact O-N 3.35Å; V55-L57 PolarHBondContact O-N 3.01Å; V55-G58 PolarHBondContact O-N 3.39Å; V55-Y60 HydrophobicContact CG1-CD1 4.13Å; V55-Y60 HydrophobicContact CG1-CE1 3.7Å; V55-A63 HydrophobicContact CG2-CB 3.5Å; V55-A63 VanDerWaalsContact CG2-CB 3.5Å; V55-V79 HydrophobicContact CG2-CB 4.24Å; V55-V79 HydrophobicContact CG2-CG1 3.93Å; V55-V79 HydrophobicContact CG2-CG2 3.99Å; V55-A82 HydrophobicContact CB-CB 4.3Å; V55-A82 HydrophobicContact CG1-CB 3.22Å |
| 56 | H | 81.3 | Confident | 84 | Confident | 97 Ų | 97 | 40.8 Ų | 40.8 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.5 | -23.5 | 174.5 | -74.1 | -67.1 | 0 | 0 | 0 | 113.5 | Y29 Y34 S52 T53 G58 | Y29-H56 AromaticContact CE2-CD2 3.81Å; Y29-H56 AromaticContact CZ-CD2 3.86Å; Y29-H56 AromaticContact CZ-NE2 3.97Å; Y29-H56 PolarHBondContact OH-CD2 3.01Å; Y29-H56 PolarHBondContact OH-NE2 3.2Å; Y34-H56 HydrophobicContact CD1-CB 3.78Å; Y34-H56 HydrophobicContact CD2-CB 3.96Å; Y34-H56 HydrophobicContact CE1-CB 3.72Å; Y34-H56 AromaticContact CE1-CD2 3.91Å; Y34-H56 AromaticContact CE1-CG 3.79Å; Y34-H56 HydrophobicContact CE2-CB 3.9Å; Y34-H56 HydrophobicContact CG-CB 3.9Å; Y34-H56 AromaticContact CZ-CG 3.81Å; S52-H56 PolarHBondContact O-CD2 3.35Å; S52-H56 PolarHBondContact O-N 2.62Å; T53-H56 PolarHBondContact O-N 3.25Å; H56-G58 VanDerWaalsContact C-N 3.33Å |
| 57 | L | 84.8 | Confident | 84.2 | Confident | 53 Ų | 53 | 38.8 Ų | 38.8 | 28% | 0.277 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -2.7 | 172.6 | -69.4 | 169.7 | 0 | 0 | 0 | 113.6 | E35 K38 T53 L54 V55 E59 | E35-L57 HydrophobicContact CG-CD2 3.88Å; K38-L57 HydrophobicContact CB-CD1 4.17Å; K38-L57 HydrophobicContact CD-CD1 3.89Å; T53-L57 WeakPolarHBondContact O-CG 3.39Å; T53-L57 PolarHBondContact O-N 3.2Å; T53-L57 VanDerWaalsContact O-N 3.13Å; L54-L57 PolarHBondContact O-N 3.3Å; V55-L57 PolarHBondContact O-N 3.01Å; L57-E59 PolarHBondContact O-N 2.98Å |
| 58 | G | 82.1 | Confident | 84.4 | Confident | 40 Ų | 40 | 42.7 Ų | 42.7 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 9.4 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | L54 V55 H56 Y60 | L54-G58 PolarHBondContact O-N 3.3Å; V55-G58 PolarHBondContact O-N 3.39Å; H56-G58 VanDerWaalsContact C-N 3.33Å; G58-Y60 VanDerWaalsContact C-N 3.33Å; G58-Y60 VanDerWaalsContact O-CD2 3.25Å; G58-Y60 WeakPolarHBondContact O-CD2 3.37Å; G58-Y60 PolarHBondContact O-N 3.06Å; G58-Y60 VanDerWaalsContact O-N 3.15Å |
| 59 | E | 87.9 | Confident | 84.7 | Confident | 80 Ų | 80 | 47.2 Ų | 47.2 | 37% | 0.374 | 23% | 0.231 | S | C | . | . | trans | -88.6 | 65.6 | 178.4 | -69.2 | -174.9 | -159 | 0 | 0 | 111.4 | K38 L54 L57 Q61 A62 A63 | K38-E59 IonicContact NZ-OE1 2.8Å; K38-E59 PolarHBondContact NZ-OE1 2.96Å; K38-E59 IonicContact NZ-OE2 2.67Å; K38-E59 PolarHBondContact NZ-OE2 2.86Å; L54-E59 HydrophobicContact CD2-CB 4.22Å; L54-E59 WeakPolarHBondContact CD2-OE2 3.28Å; L54-E59 PolarHBondContact O-N 3.47Å; L57-E59 PolarHBondContact O-N 2.98Å; E59-Q61 PolarHBondContact O-N 3.45Å; E59-A62 HydrophobicContact CB-CB 4.37Å; E59-A62 PolarHBondContact O-N 3.47Å; E59-A63 PolarHBondContact O-N 2.9Å | ||
| 60 | Y | 85.1 | Confident | 84.8 | Confident | 43 Ų | 43 | 44.3 Ų | 44.3 | 17% | 0.169 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -37.4 | -172.4 | -59.7 | -76.4 | 0 | 0 | 0 | 114.4 | V55 G58 A62 A63 V64 C83 E88 | V55-Y60 HydrophobicContact CG1-CD1 4.13Å; V55-Y60 HydrophobicContact CG1-CE1 3.7Å; G58-Y60 VanDerWaalsContact C-N 3.33Å; G58-Y60 VanDerWaalsContact O-CD2 3.25Å; G58-Y60 WeakPolarHBondContact O-CD2 3.37Å; G58-Y60 PolarHBondContact O-N 3.06Å; G58-Y60 VanDerWaalsContact O-N 3.15Å; Y60-A62 PolarHBondContact O-N 3.46Å; Y60-A63 WeakPolarHBondContact O-CB 3.4Å; Y60-A63 PolarHBondContact O-N 3.18Å; Y60-V64 WeakPolarHBondContact O-CG2 3.38Å; Y60-V64 PolarHBondContact O-N 3.46Å; Y60-C83 HydrophobicContact CD1-CB 4.42Å; Y60-C83 VanDerWaalsContact CD1-SG 3.53Å; Y60-E88 HydrophobicContact CD2-CB 4.4Å; Y60-E88 HydrophobicContact CD2-CG 3.76Å; Y60-E88 HydrophobicContact CE2-CG 3.77Å; Y60-E88 HydrophobicContact CG-CG 4.35Å |
| 61 | Q | 87.4 | Confident | 84.8 | Confident | 138 Ų | 138 | 48.6 Ų | 48.6 | 65% | 0.645 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.6 | -48.3 | 177.1 | -71.5 | -178.7 | 3.8 | 0 | 0 | 111.8 | E59 A63 V64 D65 F91 | E59-Q61 PolarHBondContact O-N 3.45Å; Q61-A63 VanDerWaalsContact C-N 3.29Å; Q61-A63 PolarHBondContact O-N 3.23Å; Q61-V64 PolarHBondContact O-N 2.96Å; Q61-D65 PolarHBondContact O-N 3.16Å; Q61-F91 HydrophobicContact CG-CE1 3.58Å; Q61-F91 HydrophobicContact CG-CE2 4.14Å; Q61-F91 HydrophobicContact CG-CZ 3.3Å |
| 62 | A | 86.8 | Confident | 85.1 | Confident | 31 Ų | 31 | 50.9 Ų | 50.9 | 26% | 0.256 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.8 | -34 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | L54 E59 Y60 D65 N66 | L54-A62 HydrophobicContact CD1-CB 3.97Å; L54-A62 HydrophobicContact CD2-CB 4.34Å; E59-A62 HydrophobicContact CB-CB 4.37Å; E59-A62 PolarHBondContact O-N 3.47Å; Y60-A62 PolarHBondContact O-N 3.46Å; A62-D65 PolarHBondContact O-N 2.96Å; A62-N66 WeakPolarHBondContact O-CB 3.4Å; A62-N66 PolarHBondContact O-N 3.18Å; A62-N66 VanDerWaalsContact O-N 3.11Å; A62-N66 PolarHBondContact O-ND2 3.16Å |
| 63 | A | 86.9 | Confident | 85.3 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L54 V55 E59 Y60 Q61 D65 N66 S67 V79 | L54-A63 HydrophobicContact CB-CB 4Å; V55-A63 HydrophobicContact CG2-CB 3.5Å; V55-A63 VanDerWaalsContact CG2-CB 3.5Å; E59-A63 PolarHBondContact O-N 2.9Å; Y60-A63 WeakPolarHBondContact O-CB 3.4Å; Y60-A63 PolarHBondContact O-N 3.18Å; Q61-A63 VanDerWaalsContact C-N 3.29Å; Q61-A63 PolarHBondContact O-N 3.23Å; A63-D65 PolarHBondContact O-N 3.29Å; A63-N66 PolarHBondContact O-N 3.39Å; A63-S67 PolarHBondContact O-N 3.1Å; A63-S67 PolarHBondContact O-OG 3.32Å; A63-V79 HydrophobicContact CB-CG1 4.14Å |
| 64 | V | 87.8 | Confident | 85.6 | Confident | 9 Ų | 9 | 60.2 Ų | 60.2 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -40.1 | 178.5 | 175.1 | 0 | 0 | 0 | 0 | 112.3 | Y60 Q61 N66 S67 R68 W76 V79 F91 | Y60-V64 WeakPolarHBondContact O-CG2 3.38Å; Y60-V64 PolarHBondContact O-N 3.46Å; Q61-V64 PolarHBondContact O-N 2.96Å; V64-N66 VanDerWaalsContact C-N 3.3Å; V64-N66 PolarHBondContact O-N 3.22Å; V64-S67 WeakPolarHBondContact CA-OG 3.48Å; V64-S67 PolarHBondContact O-N 2.92Å; V64-S67 PolarHBondContact O-OG 3.45Å; V64-R68 PolarHBondContact O-N 2.92Å; V64-W76 HydrophobicContact CG1-CH2 4.3Å; V64-W76 HydrophobicContact CG1-CZ3 4.12Å; V64-V79 HydrophobicContact CG2-CG1 4.42Å; V64-F91 HydrophobicContact CG2-CB 4.17Å; V64-F91 HydrophobicContact CG2-CD1 4.2Å |
| 65 | D | 87.6 | Confident | 85.8 | Confident | 85 Ų | 85 | 60.4 Ų | 60.4 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.2 | -34.8 | 177.5 | -74.9 | -26.3 | 0 | 0 | 0 | 111.9 | Q61 A62 A63 K69 | Q61-D65 PolarHBondContact O-N 3.16Å; A62-D65 PolarHBondContact O-N 2.96Å; A63-D65 PolarHBondContact O-N 3.29Å; D65-K69 WeakPolarHBondContact O-CG 3.22Å; D65-K69 PolarHBondContact O-N 3.39Å |
| 66 | N | 84.7 | Confident | 86.2 | Confident | 19 Ų | 19 | 60.6 Ų | 60.6 | 10% | 0.102 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -76.5 | -34.9 | 176.7 | -73.1 | -56.2 | 0 | 0 | 0 | 112.4 | A51 L54 A62 A63 V64 R68 K69 A70 | A51-N66 HydrophobicContact CB-CB 4.23Å; L54-N66 WeakPolarHBondContact CD1-ND2 3.17Å; A62-N66 WeakPolarHBondContact O-CB 3.4Å; A62-N66 PolarHBondContact O-N 3.18Å; A62-N66 VanDerWaalsContact O-N 3.11Å; A62-N66 PolarHBondContact O-ND2 3.16Å; A63-N66 PolarHBondContact O-N 3.39Å; V64-N66 VanDerWaalsContact C-N 3.3Å; V64-N66 PolarHBondContact O-N 3.22Å; N66-R68 VanDerWaalsContact C-N 3.28Å; N66-R68 PolarHBondContact O-N 3.28Å; N66-K69 WeakPolarHBondContact O-CB 3.46Å; N66-K69 PolarHBondContact O-N 2.88Å; N66-K69 VanDerWaalsContact O-N 3.13Å; N66-A70 PolarHBondContact O-N 2.95Å |
| 67 | S | 86.6 | Confident | 86.6 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 172.2 | 61.3 | 0 | 0 | 0 | 0 | 111.8 | A63 V64 K69 A70 S71 W76 | A63-S67 PolarHBondContact O-N 3.1Å; A63-S67 PolarHBondContact O-OG 3.32Å; V64-S67 WeakPolarHBondContact CA-OG 3.48Å; V64-S67 PolarHBondContact O-N 2.92Å; V64-S67 PolarHBondContact O-OG 3.45Å; S67-K69 VanDerWaalsContact C-N 3.32Å; S67-K69 PolarHBondContact O-N 2.69Å; S67-A70 PolarHBondContact O-N 3.4Å; S67-S71 PolarHBondContact O-N 3.42Å; S67-W76 WeakPolarHBondContact OG-CH2 3.34Å; S67-W76 WeakPolarHBondContact OG-CZ3 3.28Å |
| 68 | R | 87.1 | Confident | 86.7 | Confident | 149 Ų | 149 | 57.3 Ų | 57.3 | 56% | 0.562 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -61.2 | -39.2 | 171 | -171.4 | -179.1 | -70.1 | 165 | -0.2 | 112.6 | V64 N66 W76 | V64-R68 PolarHBondContact O-N 2.92Å; N66-R68 VanDerWaalsContact C-N 3.28Å; N66-R68 PolarHBondContact O-N 3.28Å; R68-W76 VanDerWaalsContact CA-CZ2 3.5Å; R68-W76 HydrophobicContact CB-CH2 4.1Å; R68-W76 HydrophobicContact CB-CZ2 3.99Å |
| 69 | K | 86 | Confident | 87.1 | Confident | 128 Ų | 128 | 55.5 Ų | 55.5 | 56% | 0.557 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -71.8 | -35.2 | 175.4 | -66.1 | 171.1 | -169.2 | 168.2 | 0 | 112.6 | F47 D65 N66 S67 | F47-K69 HydrophobicContact CB-CB 4.46Å; F47-K69 HydrophobicContact CD1-CB 4.25Å; F47-K69 HydrophobicContact CD1-CD 4.18Å; F47-K69 HydrophobicContact CD2-CB 4.12Å; F47-K69 HydrophobicContact CE1-CD 4Å; F47-K69 HydrophobicContact CE2-CB 4.47Å; F47-K69 HydrophobicContact CG-CB 4.01Å; F47-K69 HydrophobicContact CZ-CD 4.4Å; D65-K69 WeakPolarHBondContact O-CG 3.22Å; D65-K69 PolarHBondContact O-N 3.39Å; N66-K69 WeakPolarHBondContact O-CB 3.46Å; N66-K69 PolarHBondContact O-N 2.88Å; N66-K69 VanDerWaalsContact O-N 3.13Å; S67-K69 VanDerWaalsContact C-N 3.32Å; S67-K69 PolarHBondContact O-N 2.69Å |
| 70 | A | 81.9 | Confident | 87.2 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 21% | 0.207 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.1 | -33.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | F47 N66 S67 S72 T75 | F47-A70 HydrophobicContact CB-CB 3.85Å; N66-A70 PolarHBondContact O-N 2.95Å; S67-A70 PolarHBondContact O-N 3.4Å; A70-S72 PolarHBondContact O-N 2.93Å; A70-S72 VanDerWaalsContact O-N 3.09Å; A70-T75 HydrophobicContact CB-CG2 4.31Å |
| 71 | S | 83.1 | Confident | 87.5 | Confident | 99 Ų | 99 | 51 Ų | 51 | 69% | 0.692 | 26% | 0.255 | S | S | * | . | trans | 53.6 | 25.9 | 179.7 | 67.7 | 0 | 0 | 0 | 0 | 115.1 | S67 | S67-S71 PolarHBondContact O-N 3.42Š| ||
| 72 | S | 88.3 | Confident | 87.5 | Confident | 48 Ų | 48 | 45.7 Ų | 45.7 | 34% | 0.336 | 23% | 0.234 | S | C | . | . | trans | -103.9 | 131 | -179.7 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | A70 R74 T75 W76 | A70-S72 PolarHBondContact O-N 2.93Å; A70-S72 VanDerWaalsContact O-N 3.09Å; S72-R74 VanDerWaalsContact C-N 3.29Å; S72-R74 PolarHBondContact O-N 3.48Å; S72-T75 PolarHBondContact O-N 3.14Å; S72-T75 VanDerWaalsContact O-N 3.13Å; S72-T75 PolarHBondContact O-OG1 2.94Å; S72-W76 PolarHBondContact O-N 3.34Å; S72-W76 VanDerWaalsContact O-N 3.12Å | ||
| 73 | T | 87.5 | Confident | 87.6 | Confident | 46 Ų | 46 | 44.2 Ų | 44.2 | 28% | 0.282 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -56.5 | -43.2 | 177 | 50.2 | 0 | 0 | 0 | 0 | 112 | T75 W76 K77 H102 | T73-T75 VanDerWaalsContact C-N 3.31Å; T73-T75 PolarHBondContact O-N 3.47Å; T73-W76 WeakPolarHBondContact O-CB 3.43Å; T73-W76 PolarHBondContact O-N 3.14Å; T73-K77 WeakPolarHBondContact O-CG 3.31Å; T73-K77 PolarHBondContact O-N 3.4Å; T73-H102 VanDerWaalsContact CG2-CD2 3.47Å; T73-H102 WeakPolarHBondContact CG2-CD2 3.42Å; T73-H102 VanDerWaalsContact CG2-NE2 3.33Å; T73-H102 WeakPolarHBondContact CG2-NE2 3.45Å |
| 74 | R | 87.8 | Confident | 87.7 | Confident | 163 Ų | 163 | 44.2 Ų | 44.2 | 62% | 0.615 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -57.1 | -44.1 | 176.3 | -177 | 179 | 174 | 164.4 | 5.8 | 112.1 | S72 W76 K77 E78 | S72-R74 VanDerWaalsContact C-N 3.29Å; S72-R74 PolarHBondContact O-N 3.48Å; R74-W76 VanDerWaalsContact C-N 3.35Å; R74-W76 PolarHBondContact O-N 3.39Å; R74-K77 PolarHBondContact O-N 3.07Å; R74-E78 WeakPolarHBondContact CG-OE1 3.34Å; R74-E78 IonicContact CZ-OE1 3.8Å; R74-E78 IonicContact NE-OE1 2.96Å; R74-E78 PolarHBondContact NE-OE1 2.91Å; R74-E78 IonicContact NH2-OE1 3.76Å; R74-E78 WeakPolarHBondContact O-CG 3.45Å; R74-E78 PolarHBondContact O-N 3.33Å |
| 75 | T | 88.3 | Confident | 87.7 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67 | -37.9 | 179.3 | 61.3 | 0 | 0 | 0 | 0 | 112.1 | A48 A70 S72 T73 K77 V79 | A48-T75 VanDerWaalsContact CA-CG2 3.49Å; A48-T75 HydrophobicContact CB-CG2 3.27Å; A70-T75 HydrophobicContact CB-CG2 4.31Å; S72-T75 PolarHBondContact O-N 3.14Å; S72-T75 VanDerWaalsContact O-N 3.13Å; S72-T75 PolarHBondContact O-OG1 2.94Å; T73-T75 VanDerWaalsContact C-N 3.31Å; T73-T75 PolarHBondContact O-N 3.47Å; T75-K77 VanDerWaalsContact C-N 3.35Å; T75-V79 WeakPolarHBondContact O-CB 3.26Å; T75-V79 VanDerWaalsContact O-CG2 3.26Å; T75-V79 WeakPolarHBondContact O-CG2 3.4Å; T75-V79 PolarHBondContact O-N 2.89Å |
| 76 | W | 90.8 | Very high | 87.7 | Confident | 14 Ų | 14 | 45.6 Ų | 45.6 | 5% | 0.053 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -42 | 173.8 | -74.2 | 115.3 | 0 | 0 | 0 | 111.9 | V64 S67 R68 S72 T73 R74 C80 C95 H98 I99 | V64-W76 HydrophobicContact CG1-CH2 4.3Å; V64-W76 HydrophobicContact CG1-CZ3 4.12Å; S67-W76 WeakPolarHBondContact OG-CH2 3.34Å; S67-W76 WeakPolarHBondContact OG-CZ3 3.28Å; R68-W76 VanDerWaalsContact CA-CZ2 3.5Å; R68-W76 HydrophobicContact CB-CH2 4.1Å; R68-W76 HydrophobicContact CB-CZ2 3.99Å; S72-W76 PolarHBondContact O-N 3.34Å; S72-W76 VanDerWaalsContact O-N 3.12Å; T73-W76 WeakPolarHBondContact O-CB 3.43Å; T73-W76 PolarHBondContact O-N 3.14Å; R74-W76 VanDerWaalsContact C-N 3.35Å; R74-W76 PolarHBondContact O-N 3.39Å; W76-C80 WeakPolarHBondContact O-CB 3.4Å; W76-C80 PolarHBondContact O-N 3.35Å; W76-C95 HydrophobicContact CE3-CB 3.87Å; W76-C95 HydrophobicContact CZ3-CB 4.22Å; W76-H98 HydrophobicContact CD2-CB 3.93Å; W76-H98 AromaticContact CE2-CD2 3.99Å; W76-H98 AromaticContact CE2-CG 3.98Å; W76-H98 HydrophobicContact CE3-CB 4.39Å; W76-H98 HydrophobicContact CG-CB 4.12Å; W76-H98 AromaticContact CH2-CD2 3.44Å; W76-H98 VanDerWaalsContact CH2-CD2 3.44Å; W76-H98 WeakPolarHBondContact CH2-CD2 3.21Å; W76-H98 AromaticContact CH2-NE2 3.93Å; W76-H98 HydrophobicContact CZ2-CB 4.33Å; W76-H98 AromaticContact CZ2-CD2 3.52Å; W76-H98 AromaticContact CZ2-CG 3.9Å; W76-H98 AromaticContact CZ2-NE2 3.99Å; W76-H98 AromaticContact CZ3-CD2 3.81Å; W76-I99 HydrophobicContact CB-CD1 4.16Å; W76-I99 HydrophobicContact CB-CG1 3.67Å |
| 77 | K | 90.6 | Very high | 87.8 | Confident | 23 Ų | 23 | 50.9 Ų | 50.9 | 10% | 0.1 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -61.5 | -51.7 | 176.4 | -72.1 | 175.6 | 64.4 | 178.6 | 0 | 112.1 | T73 R74 T75 V79 C80 F81 I99 E105 E108 | T73-K77 WeakPolarHBondContact O-CG 3.31Å; T73-K77 PolarHBondContact O-N 3.4Å; R74-K77 PolarHBondContact O-N 3.07Å; T75-K77 VanDerWaalsContact C-N 3.35Å; K77-V79 VanDerWaalsContact C-N 3.31Å; K77-V79 PolarHBondContact O-N 3.25Å; K77-C80 PolarHBondContact O-N 3.18Å; K77-F81 VanDerWaalsContact O-CB 3.31Å; K77-F81 WeakPolarHBondContact O-CB 3.49Å; K77-F81 WeakPolarHBondContact O-CG 3.37Å; K77-F81 PolarHBondContact O-N 3.35Å; K77-I99 HydrophobicContact CB-CD1 4.46Å; K77-I99 HydrophobicContact CG-CD1 3.97Å; K77-I99 HydrophobicContact CG-CG1 4.2Å; K77-I99 HydrophobicContact CG-CG2 3.99Å; K77-E105 HydrophobicContact CD-CG 4.49Å; K77-E105 VanDerWaalsContact CD-OE2 3.3Å; K77-E105 WeakPolarHBondContact CD-OE2 3.36Å; K77-E105 WeakPolarHBondContact CE-OE2 3.46Å; K77-E105 IonicContact NZ-OE2 2.65Å; K77-E105 PolarHBondContact NZ-OE2 2.91Å; K77-E108 VanDerWaalsContact CE-OE1 3.22Å; K77-E108 WeakPolarHBondContact CE-OE1 3.28Å; K77-E108 IonicContact NZ-OE1 2.67Å; K77-E108 PolarHBondContact NZ-OE1 2.66Å; K77-E108 IonicContact NZ-OE2 3.95Å; K77-E108 PolarHBondContact NZ-OE2 3.29Å |
| 78 | E | 87.6 | Confident | 88 | Confident | 58 Ų | 58 | 54.7 Ų | 54.7 | 27% | 0.271 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 179.1 | -71.4 | 173.6 | -168.1 | 0 | 0 | 111.2 | R74 A82 | R74-E78 WeakPolarHBondContact CG-OE1 3.34Å; R74-E78 IonicContact CZ-OE1 3.8Å; R74-E78 IonicContact NE-OE1 2.96Å; R74-E78 PolarHBondContact NE-OE1 2.91Å; R74-E78 IonicContact NH2-OE1 3.76Å; R74-E78 WeakPolarHBondContact O-CG 3.45Å; R74-E78 PolarHBondContact O-N 3.33Å; E78-A82 WeakPolarHBondContact O-CB 3.5Å; E78-A82 PolarHBondContact O-N 3.25Å; E78-A82 VanDerWaalsContact O-N 3.15Å |
| 79 | V | 89.1 | Confident | 88.1 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 177.2 | 176.5 | 0 | 0 | 0 | 0 | 111.7 | A51 V55 A63 V64 T75 K77 F81 A82 C83 | A51-V79 HydrophobicContact CB-CG2 3.81Å; V55-V79 HydrophobicContact CG2-CB 4.24Å; V55-V79 HydrophobicContact CG2-CG1 3.93Å; V55-V79 HydrophobicContact CG2-CG2 3.99Å; A63-V79 HydrophobicContact CB-CG1 4.14Å; V64-V79 HydrophobicContact CG2-CG1 4.42Å; T75-V79 WeakPolarHBondContact O-CB 3.26Å; T75-V79 VanDerWaalsContact O-CG2 3.26Å; T75-V79 WeakPolarHBondContact O-CG2 3.4Å; T75-V79 PolarHBondContact O-N 2.89Å; K77-V79 VanDerWaalsContact C-N 3.31Å; K77-V79 PolarHBondContact O-N 3.25Å; V79-F81 PolarHBondContact O-N 3.13Å; V79-A82 PolarHBondContact O-N 3.1Å; V79-C83 WeakPolarHBondContact O-CB 3.41Å; V79-C83 PolarHBondContact O-N 2.84Å; V79-C83 PolarHBondContact O-SG 3.04Å |
| 80 | C | 90.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -46.3 | 179.7 | -171.1 | 0 | 0 | 0 | 0 | 111.8 | W76 K77 C83 M84 A92 C95 I99 | W76-C80 WeakPolarHBondContact O-CB 3.4Å; W76-C80 PolarHBondContact O-N 3.35Å; K77-C80 PolarHBondContact O-N 3.18Å; C80-C83 PolarHBondContact O-N 3.22Å; C80-M84 WeakPolarHBondContact O-CG 3.42Å; C80-M84 PolarHBondContact O-N 3.33Å; C80-A92 PolarHBondContact SG-O 3.12Å; C80-C95 HydrophobicContact CB-CB 3.72Å; C80-I99 HydrophobicContact CB-CD1 3.57Å |
| 81 | F | 90.9 | Very high | 88.6 | Confident | 30 Ų | 30 | 53.3 Ų | 53.3 | 13% | 0.132 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -48.1 | 179.1 | -72.8 | 0.9 | 0 | 0 | 0 | 111.3 | K77 V79 C83 M84 D85 L109 Y112 | K77-F81 VanDerWaalsContact O-CB 3.31Å; K77-F81 WeakPolarHBondContact O-CB 3.49Å; K77-F81 WeakPolarHBondContact O-CG 3.37Å; K77-F81 PolarHBondContact O-N 3.35Å; V79-F81 PolarHBondContact O-N 3.13Å; F81-C83 PolarHBondContact O-N 3.04Å; F81-M84 HydrophobicContact CD1-CE 3.47Å; F81-M84 VanDerWaalsContact CD1-CE 3.47Å; F81-M84 HydrophobicContact CE1-CE 4.03Å; F81-M84 HydrophobicContact CG-CE 4.5Å; F81-M84 WeakPolarHBondContact O-CB 3.3Å; F81-M84 PolarHBondContact O-N 2.97Å; F81-M84 VanDerWaalsContact O-N 3.14Å; F81-D85 PolarHBondContact O-N 3.01Å; F81-L109 HydrophobicContact CE1-CD1 3.79Å; F81-Y112 WeakPolarHBondContact CA-OH 3.41Å; F81-Y112 HydrophobicContact CB-CE1 3.89Å; F81-Y112 HydrophobicContact CB-CE2 3.84Å; F81-Y112 VanDerWaalsContact CB-CZ 3.4Å; F81-Y112 WeakPolarHBondContact CB-OH 3.07Å; F81-Y112 AromaticContact CD1-CD1 3.64Å; F81-Y112 HydrophobicContact CD1-CD1 3.64Å; F81-Y112 AromaticContact CD1-CD2 3.98Å; F81-Y112 HydrophobicContact CD1-CD2 3.98Å; F81-Y112 AromaticContact CD1-CE1 3.74Å; F81-Y112 HydrophobicContact CD1-CE1 3.74Å; F81-Y112 HydrophobicContact CD1-CE2 4.08Å; F81-Y112 AromaticContact CD1-CG 3.74Å; F81-Y112 HydrophobicContact CD1-CG 3.74Å; F81-Y112 AromaticContact CD1-CZ 3.93Å; F81-Y112 AromaticContact CD2-CD2 3.8Å; F81-Y112 HydrophobicContact CD2-CD2 3.8Å; F81-Y112 AromaticContact CD2-CE2 3.64Å; F81-Y112 HydrophobicContact CD2-CE2 3.64Å; F81-Y112 HydrophobicContact CD2-CG 4.38Å; F81-Y112 AromaticContact CE1-CD1 3.91Å; F81-Y112 HydrophobicContact CE1-CD1 3.91Å; F81-Y112 HydrophobicContact CE1-CD2 4Å; F81-Y112 HydrophobicContact CE1-CE1 4.45Å; F81-Y112 AromaticContact CE1-CG 3.63Å; F81-Y112 HydrophobicContact CE1-CG 3.63Å; F81-Y112 AromaticContact CE2-CD2 3.85Å; F81-Y112 HydrophobicContact CE2-CD2 3.85Å; F81-Y112 HydrophobicContact CE2-CE2 4.18Å; F81-Y112 HydrophobicContact CE2-CG 4.31Å; F81-Y112 HydrophobicContact CG-CD1 4.14Å; F81-Y112 AromaticContact CG-CD2 3.87Å; F81-Y112 HydrophobicContact CG-CD2 3.87Å; F81-Y112 AromaticContact CG-CE1 3.87Å; F81-Y112 HydrophobicContact CG-CE1 3.87Å; F81-Y112 AromaticContact CG-CE2 3.58Å; F81-Y112 HydrophobicContact CG-CE2 3.58Å; F81-Y112 HydrophobicContact CG-CG 4.11Å; F81-Y112 AromaticContact CG-CZ 3.55Å; F81-Y112 AromaticContact CZ-CD2 3.94Å; F81-Y112 HydrophobicContact CZ-CD2 3.94Å; F81-Y112 AromaticContact CZ-CG 3.94Å; F81-Y112 HydrophobicContact CZ-CG 3.94Å; F81-Y112 PolarHBondContact O-OH 3.28Å |
| 82 | A | 88.3 | Confident | 89 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 21% | 0.207 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -75.4 | -24.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | V55 E78 V79 G86 | V55-A82 HydrophobicContact CB-CB 4.3Å; V55-A82 HydrophobicContact CG1-CB 3.22Å; E78-A82 WeakPolarHBondContact O-CB 3.5Å; E78-A82 PolarHBondContact O-N 3.25Å; E78-A82 VanDerWaalsContact O-N 3.15Å; V79-A82 PolarHBondContact O-N 3.1Å; A82-G86 PolarHBondContact O-N 3.15Å |
| 83 | C | 89.2 | Confident | 89.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.7 | -39 | 165.2 | -72.8 | 0 | 0 | 0 | 0 | 111.9 | Y60 V79 C80 F81 G86 Q87 E88 A92 | Y60-C83 HydrophobicContact CD1-CB 4.42Å; Y60-C83 VanDerWaalsContact CD1-SG 3.53Å; V79-C83 WeakPolarHBondContact O-CB 3.41Å; V79-C83 PolarHBondContact O-N 2.84Å; V79-C83 PolarHBondContact O-SG 3.04Å; C80-C83 PolarHBondContact O-N 3.22Å; F81-C83 PolarHBondContact O-N 3.04Å; C83-G86 CarbonylContact O-C 3.52Å; C83-G86 PolarHBondContact O-N 3.1Å; C83-Q87 PolarHBondContact O-N 3.38Å; C83-E88 PolarHBondContact O-N 3.06Å; C83-A92 HydrophobicContact CB-CB 3.94Å |
| 84 | M | 88.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69 | -41.9 | 176.2 | -75.8 | -172 | -88.5 | 0 | 0 | 112.6 | C80 F81 G86 Q87 A92 L109 Y112 Y113 | C80-M84 WeakPolarHBondContact O-CG 3.42Å; C80-M84 PolarHBondContact O-N 3.33Å; F81-M84 HydrophobicContact CD1-CE 3.47Å; F81-M84 VanDerWaalsContact CD1-CE 3.47Å; F81-M84 HydrophobicContact CE1-CE 4.03Å; F81-M84 HydrophobicContact CG-CE 4.5Å; F81-M84 WeakPolarHBondContact O-CB 3.3Å; F81-M84 PolarHBondContact O-N 2.97Å; F81-M84 VanDerWaalsContact O-N 3.14Å; M84-G86 PolarHBondContact O-N 3.38Å; M84-Q87 PolarHBondContact O-N 3.17Å; M84-A92 HydrophobicContact CG-CB 3.79Å; M84-L109 HydrophobicContact CE-CD1 4.37Å; M84-Y112 HydrophobicContact CB-CE1 4.1Å; M84-Y112 HydrophobicContact CE-CD1 3.25Å; M84-Y112 HydrophobicContact CE-CE1 3.42Å; M84-Y112 VanDerWaalsContact CE-CE1 3.42Å; M84-Y112 HydrophobicContact CE-CG 4.33Å; M84-Y112 HydrophobicContact SD-CD1 3.84Å; M84-Y112 HydrophobicContact SD-CE1 3.98Å; M84-Y113 HydrophobicContact CE-CD2 3.78Å; M84-Y113 HydrophobicContact CE-CE2 3.4Å; M84-Y113 HydrophobicContact CG-CE1 4.49Å; M84-Y113 HydrophobicContact CG-CE2 4.49Å; M84-Y113 HydrophobicContact SD-CD1 3.87Å; M84-Y113 HydrophobicContact SD-CD2 3.46Å; M84-Y113 WeakPolarHBondContact SD-CD2 3.45Å; M84-Y113 HydrophobicContact SD-CE1 3.62Å; M84-Y113 HydrophobicContact SD-CE2 3.18Å; M84-Y113 WeakPolarHBondContact SD-CE2 3.2Å; M84-Y113 HydrophobicContact SD-CG 3.8Å |
| 85 | D | 88.1 | Confident | 89.3 | Confident | 93 Ų | 93 | 42.8 Ų | 42.8 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.7 | -32.5 | 173.9 | -71.9 | -26.6 | 0 | 0 | 0 | 111.2 | F81 Q87 Y112 R116 | F81-D85 PolarHBondContact O-N 3.01Å; D85-Q87 VanDerWaalsContact C-N 3.32Å; D85-Q87 PolarHBondContact O-N 3.34Å; D85-Y112 PolarHBondContact OD1-OH 3.24Å; D85-Y112 PolarHBondContact OD2-OH 3.41Å; D85-R116 IonicContact OD1-CZ 2.68Å; D85-R116 IonicContact OD1-NE 3.65Å; D85-R116 PolarHBondContact OD1-NE 3.31Å; D85-R116 IonicContact OD1-NH2 2.66Å; D85-R116 PolarHBondContact OD1-NH2 3.27Å; D85-R116 IonicContact OD2-NH2 3.82Å |
| 86 | G | 85.8 | Confident | 89.4 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 31% | 0.309 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116 | A82 C83 M84 E88 | A82-G86 PolarHBondContact O-N 3.15Å; C83-G86 CarbonylContact O-C 3.52Å; C83-G86 PolarHBondContact O-N 3.1Å; M84-G86 PolarHBondContact O-N 3.38Å; G86-E88 PolarHBondContact O-N 3.39Å |
| 87 | Q | 88.4 | Confident | 89.4 | Confident | 130 Ų | 130 | 43.6 Ų | 43.6 | 61% | 0.607 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 22.7 | -175 | -58.6 | -177.8 | -5.1 | 0 | 0 | 114.9 | C83 M84 D85 F89 | C83-Q87 PolarHBondContact O-N 3.38Å; M84-Q87 PolarHBondContact O-N 3.17Å; D85-Q87 VanDerWaalsContact C-N 3.32Å; D85-Q87 PolarHBondContact O-N 3.34Å; Q87-F89 HydrophobicContact CB-CE2 4.2Å; Q87-F89 HydrophobicContact CB-CZ 4.23Å; Q87-F89 HydrophobicContact CG-CZ 4.46Å; Q87-F89 WeakPolarHBondContact O-CD2 3.43Å; Q87-F89 PolarHBondContact O-N 2.98Å |
| 88 | E | 89.1 | Confident | 89.4 | Confident | 81 Ų | 81 | 46 Ų | 46 | 38% | 0.379 | 22% | 0.223 | S | C | . | . | trans | -93.1 | 69.6 | 178.4 | -74.1 | -67.6 | 169.2 | 0 | 0 | 110.6 | Y60 C83 G86 R90 F91 A92 | Y60-E88 HydrophobicContact CD2-CB 4.4Å; Y60-E88 HydrophobicContact CD2-CG 3.76Å; Y60-E88 HydrophobicContact CE2-CG 3.77Å; Y60-E88 HydrophobicContact CG-CG 4.35Å; C83-E88 PolarHBondContact O-N 3.06Å; G86-E88 PolarHBondContact O-N 3.39Å; E88-R90 VanDerWaalsContact C-N 3.29Å; E88-R90 PolarHBondContact O-N 2.92Å; E88-F91 HydrophobicContact CB-CD2 4.2Å; E88-F91 PolarHBondContact O-N 3.3Å; E88-A92 PolarHBondContact O-N 3.15Å; E88-A92 VanDerWaalsContact O-N 3.1Å | ||
| 89 | F | 89.7 | Confident | 89.6 | Confident | 54 Ų | 54 | 43.2 Ų | 43.2 | 24% | 0.237 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.6 | -32.8 | -170.8 | -57.5 | -65.4 | 0 | 0 | 0 | 114 | Q87 F91 A92 Q93 Y118 E121 | Q87-F89 HydrophobicContact CB-CE2 4.2Å; Q87-F89 HydrophobicContact CB-CZ 4.23Å; Q87-F89 HydrophobicContact CG-CZ 4.46Å; Q87-F89 WeakPolarHBondContact O-CD2 3.43Å; Q87-F89 PolarHBondContact O-N 2.98Å; F89-F91 VanDerWaalsContact C-N 3.32Å; F89-F91 PolarHBondContact O-N 3.27Å; F89-A92 PolarHBondContact O-N 3.41Å; F89-Q93 WeakPolarHBondContact O-CB 3.45Å; F89-Q93 PolarHBondContact O-N 3.25Å; F89-Y118 AromaticContact CE1-CD1 3.87Å; F89-Y118 HydrophobicContact CE1-CD1 3.87Å; F89-Y118 HydrophobicContact CE1-CD2 4.02Å; F89-Y118 AromaticContact CE1-CE1 3.91Å; F89-Y118 HydrophobicContact CE1-CE1 3.91Å; F89-Y118 HydrophobicContact CE1-CE2 4.02Å; F89-Y118 AromaticContact CE1-CG 3.95Å; F89-Y118 HydrophobicContact CE1-CG 3.95Å; F89-Y118 AromaticContact CE1-CZ 3.99Å; F89-Y118 AromaticContact CZ-CD1 3.94Å; F89-Y118 HydrophobicContact CZ-CD1 3.94Å; F89-Y118 AromaticContact CZ-CE1 3.66Å; F89-Y118 HydrophobicContact CZ-CE1 3.66Å; F89-Y118 HydrophobicContact CZ-CE2 4.43Å; F89-Y118 HydrophobicContact CZ-CG 4.48Å; F89-Y118 AromaticContact CZ-CZ 3.93Å; F89-E121 HydrophobicContact CB-CG 4.25Å; F89-E121 HydrophobicContact CD1-CB 4.39Å; F89-E121 HydrophobicContact CD1-CG 3.74Å; F89-E121 HydrophobicContact CE1-CG 4.22Å; F89-E121 HydrophobicContact CG-CG 3.92Å |
| 90 | R | 89.9 | Confident | 89.7 | Confident | 189 Ų | 189 | 43.2 Ų | 43.2 | 71% | 0.713 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.3 | -41.9 | 178.3 | -176.8 | -180 | 173 | -175.9 | -1.3 | 112.2 | E88 L94 | E88-R90 VanDerWaalsContact C-N 3.29Å; E88-R90 PolarHBondContact O-N 2.92Å; R90-L94 PolarHBondContact O-N 3.06Å |
| 91 | F | 89.3 | Confident | 89.7 | Confident | 30 Ų | 30 | 44.8 Ų | 44.8 | 13% | 0.132 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -78.3 | -36.8 | 178.1 | -62.6 | -63.1 | 0 | 0 | 0 | 111.1 | Q61 V64 E88 F89 Q93 L94 C95 | Q61-F91 HydrophobicContact CG-CE1 3.58Å; Q61-F91 HydrophobicContact CG-CE2 4.14Å; Q61-F91 HydrophobicContact CG-CZ 3.3Å; V64-F91 HydrophobicContact CG2-CB 4.17Å; V64-F91 HydrophobicContact CG2-CD1 4.2Å; E88-F91 HydrophobicContact CB-CD2 4.2Å; E88-F91 PolarHBondContact O-N 3.3Å; F89-F91 VanDerWaalsContact C-N 3.32Å; F89-F91 PolarHBondContact O-N 3.27Å; F91-Q93 VanDerWaalsContact C-N 3.28Å; F91-Q93 PolarHBondContact O-N 2.79Å; F91-L94 HydrophobicContact CD1-CD1 4.39Å; F91-L94 PolarHBondContact O-N 3.12Å; F91-C95 PolarHBondContact O-N 3.14Å; F91-C95 PolarHBondContact O-SG 3.02Å |
| 92 | A | 90.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58 | -40 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | C80 C83 M84 E88 F89 C95 G96 | C80-A92 PolarHBondContact SG-O 3.12Å; C83-A92 HydrophobicContact CB-CB 3.94Å; M84-A92 HydrophobicContact CG-CB 3.79Å; E88-A92 PolarHBondContact O-N 3.15Å; E88-A92 VanDerWaalsContact O-N 3.1Å; F89-A92 PolarHBondContact O-N 3.41Å; A92-C95 PolarHBondContact O-N 2.88Å; A92-G96 WeakPolarHBondContact O-CA 3.26Å; A92-G96 PolarHBondContact O-N 3.36Å |
| 93 | Q | 90.9 | Very high | 89.6 | Confident | 59 Ų | 59 | 48 Ų | 48 | 28% | 0.276 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.4 | -46.6 | 177.2 | -166 | -176.9 | 13.3 | 0 | 0 | 111.4 | F89 F91 C95 G96 L97 L124 L125 | F89-Q93 WeakPolarHBondContact O-CB 3.45Å; F89-Q93 PolarHBondContact O-N 3.25Å; F91-Q93 VanDerWaalsContact C-N 3.28Å; F91-Q93 PolarHBondContact O-N 2.79Å; Q93-C95 PolarHBondContact O-N 3.44Å; Q93-G96 PolarHBondContact O-N 3.39Å; Q93-L97 WeakPolarHBondContact O-CG 3.47Å; Q93-L97 PolarHBondContact O-N 3.08Å; Q93-L124 PolarHBondContact NE2-O 3.38Å; Q93-L125 HydrophobicContact CG-CB 4.37Å; Q93-L125 HydrophobicContact CG-CD1 3.93Å; Q93-L125 VanDerWaalsContact O-CD1 3.29Å; Q93-L125 WeakPolarHBondContact O-CD1 3.28Å |
| 94 | L | 89.8 | Confident | 89.7 | Confident | 76 Ų | 76 | 55.5 Ų | 55.5 | 40% | 0.398 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60 | -44.7 | 176.8 | -72.9 | 168.6 | 0 | 0 | 0 | 112.2 | R90 F91 H98 | R90-L94 PolarHBondContact O-N 3.06Å; F91-L94 HydrophobicContact CD1-CD1 4.39Å; F91-L94 PolarHBondContact O-N 3.12Å; L94-H98 PolarHBondContact O-CD2 3.22Å |
| 95 | C | 89.3 | Confident | 89.9 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.5 | -43.6 | 174.8 | -66 | 0 | 0 | 0 | 0 | 111.6 | W76 C80 F91 A92 Q93 L97 H98 I99 | W76-C95 HydrophobicContact CE3-CB 3.87Å; W76-C95 HydrophobicContact CZ3-CB 4.22Å; C80-C95 HydrophobicContact CB-CB 3.72Å; F91-C95 PolarHBondContact O-N 3.14Å; F91-C95 PolarHBondContact O-SG 3.02Å; A92-C95 PolarHBondContact O-N 2.88Å; Q93-C95 PolarHBondContact O-N 3.44Å; C95-L97 VanDerWaalsContact C-N 3.29Å; C95-L97 PolarHBondContact O-N 3.43Å; C95-H98 PolarHBondContact O-N 3.24Å; C95-H98 VanDerWaalsContact O-N 3.09Å; C95-I99 WeakPolarHBondContact O-CG1 3.17Å; C95-I99 PolarHBondContact O-N 3.41Å |
| 96 | G | 90.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.4 | -41.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A92 Q93 H98 I99 V100 | A92-G96 WeakPolarHBondContact O-CA 3.26Å; A92-G96 PolarHBondContact O-N 3.36Å; Q93-G96 PolarHBondContact O-N 3.39Å; G96-H98 PolarHBondContact O-N 3.38Å; G96-I99 PolarHBondContact O-N 3.42Å; G96-V100 VanDerWaalsContact O-CG2 3.26Å; G96-V100 WeakPolarHBondContact O-CG2 2.98Å; G96-V100 PolarHBondContact O-N 3.37Å |
| 97 | L | 91.6 | Very high | 90.4 | Very high | 37 Ų | 37 | 59.3 Ų | 59.3 | 19% | 0.194 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.7 | -31.7 | 178.7 | -70.1 | 174.6 | 0 | 0 | 0 | 112.7 | Q93 C95 I101 L125 A128 A129 L132 | Q93-L97 WeakPolarHBondContact O-CG 3.47Å; Q93-L97 PolarHBondContact O-N 3.08Å; C95-L97 VanDerWaalsContact C-N 3.29Å; C95-L97 PolarHBondContact O-N 3.43Å; L97-I101 WeakPolarHBondContact O-CD1 3.22Å; L97-I101 WeakPolarHBondContact O-CG1 3.24Å; L97-L125 HydrophobicContact CD2-CD1 3.9Å; L97-L125 HydrophobicContact CG-CD1 3.92Å; L97-A128 HydrophobicContact CD2-CB 3.95Å; L97-A129 HydrophobicContact CD2-CB 3.75Å; L97-L132 HydrophobicContact CD2-CD1 4.27Å |
| 98 | H | 89.8 | Confident | 90.6 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 33% | 0.333 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -78 | -23.4 | 175.8 | -70 | -62.7 | 0 | 0 | 0 | 113.2 | W76 L94 C95 G96 | W76-H98 HydrophobicContact CD2-CB 3.93Å; W76-H98 AromaticContact CE2-CD2 3.99Å; W76-H98 AromaticContact CE2-CG 3.98Å; W76-H98 HydrophobicContact CE3-CB 4.39Å; W76-H98 HydrophobicContact CG-CB 4.12Å; W76-H98 AromaticContact CH2-CD2 3.44Å; W76-H98 VanDerWaalsContact CH2-CD2 3.44Å; W76-H98 WeakPolarHBondContact CH2-CD2 3.21Å; W76-H98 AromaticContact CH2-NE2 3.93Å; W76-H98 HydrophobicContact CZ2-CB 4.33Å; W76-H98 AromaticContact CZ2-CD2 3.52Å; W76-H98 AromaticContact CZ2-CG 3.9Å; W76-H98 AromaticContact CZ2-NE2 3.99Å; W76-H98 AromaticContact CZ3-CD2 3.81Å; L94-H98 PolarHBondContact O-CD2 3.22Å; C95-H98 PolarHBondContact O-N 3.24Å; C95-H98 VanDerWaalsContact O-N 3.09Å; G96-H98 PolarHBondContact O-N 3.38Å |
| 99 | I | 91.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -85.9 | -47.8 | 179.4 | -57 | 163.1 | 0 | 0 | 0 | 110.6 | W76 K77 C80 C95 G96 I101 H102 E105 L109 | W76-I99 HydrophobicContact CB-CD1 4.16Å; W76-I99 HydrophobicContact CB-CG1 3.67Å; K77-I99 HydrophobicContact CB-CD1 4.46Å; K77-I99 HydrophobicContact CG-CD1 3.97Å; K77-I99 HydrophobicContact CG-CG1 4.2Å; K77-I99 HydrophobicContact CG-CG2 3.99Å; C80-I99 HydrophobicContact CB-CD1 3.57Å; C95-I99 WeakPolarHBondContact O-CG1 3.17Å; C95-I99 PolarHBondContact O-N 3.41Å; G96-I99 PolarHBondContact O-N 3.42Å; I99-I101 PolarHBondContact O-N 3Å; I99-H102 WeakPolarHBondContact O-CB 3.39Å; I99-H102 PolarHBondContact O-N 3.38Å; I99-E105 HydrophobicContact CG2-CB 3.91Å; I99-L109 HydrophobicContact CB-CD2 4.27Å; I99-L109 HydrophobicContact CD1-CD1 4.33Å; I99-L109 HydrophobicContact CG2-CD2 4.12Å |
| 100 | V | 92 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58 | -22.1 | -174.1 | 171.1 | 0 | 0 | 0 | 0 | 112.9 | G96 H102 L106 L109 L125 L126 A129 H136 M139 | G96-V100 VanDerWaalsContact O-CG2 3.26Å; G96-V100 WeakPolarHBondContact O-CG2 2.98Å; G96-V100 PolarHBondContact O-N 3.37Å; V100-H102 PolarHBondContact O-N 3.34Å; V100-L106 HydrophobicContact CG1-CD1 4.12Å; V100-L106 HydrophobicContact CG2-CD1 4.32Å; V100-L109 HydrophobicContact CG2-CD2 3.43Å; V100-L109 VanDerWaalsContact CG2-CD2 3.43Å; V100-L125 HydrophobicContact CG2-CD2 4.01Å; V100-L125 HydrophobicContact CG2-CG 4.27Å; V100-L126 HydrophobicContact CG1-CD2 3.98Å; V100-A129 HydrophobicContact CB-CB 4.4Å; V100-A129 HydrophobicContact CG1-CB 3.76Å; V100-H136 PolarHBondContact O-CE1 3.27Å; V100-M139 HydrophobicContact CG1-CE 3.52Å; V100-M139 HydrophobicContact CG1-CG 3.72Å; V100-M139 HydrophobicContact CG1-SD 3.78Å |
| 101 | I | 89.6 | Confident | 91.1 | Very high | 33 Ų | 33 | 45.4 Ų | 45.4 | 17% | 0.169 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -28.9 | 174.8 | -63.7 | 164.1 | 0 | 0 | 0 | 111.6 | L97 I99 L132 R134 | L97-I101 WeakPolarHBondContact O-CD1 3.22Å; L97-I101 WeakPolarHBondContact O-CG1 3.24Å; I99-I101 PolarHBondContact O-N 3Å; I101-L132 HydrophobicContact CD1-CD1 4.07Å; I101-L132 HydrophobicContact CG1-CD1 3.89Å; I101-R134 HydrophobicContact CG2-CB 3.57Å; I101-R134 HydrophobicContact CG2-CG 4.42Å |
| 102 | H | 90.4 | Very high | 91.2 | Very high | 68 Ų | 68 | 45.7 Ų | 45.7 | 32% | 0.315 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -88.9 | 111.2 | 179.7 | -62.7 | -83.2 | 0 | 0 | 0 | 110.4 | T73 I99 V100 D104 E105 L106 | T73-H102 VanDerWaalsContact CG2-CD2 3.47Å; T73-H102 WeakPolarHBondContact CG2-CD2 3.42Å; T73-H102 VanDerWaalsContact CG2-NE2 3.33Å; T73-H102 WeakPolarHBondContact CG2-NE2 3.45Å; I99-H102 WeakPolarHBondContact O-CB 3.39Å; I99-H102 PolarHBondContact O-N 3.38Å; V100-H102 PolarHBondContact O-N 3.34Å; H102-D104 VanDerWaalsContact C-N 3.29Å; H102-D104 PolarHBondContact O-N 3.33Å; H102-E105 HydrophobicContact CB-CB 4.26Å; H102-E105 HydrophobicContact CB-CG 4.03Å; H102-E105 PolarHBondContact O-N 2.85Å; H102-E105 VanDerWaalsContact O-N 3.15Å; H102-L106 PolarHBondContact O-N 2.9Å |
| 103 | A | 88.6 | Confident | 91.4 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -58.9 | -38 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | E105 L106 H136 | A103-E105 PolarHBondContact O-N 3.13Å; A103-L106 PolarHBondContact O-N 3.35Å; A103-H136 WeakPolarHBondContact CA-NE2 3.36Å |
| 104 | D | 91.3 | Very high | 91.4 | Very high | 157 Ų | 157 | 46.6 Ų | 46.6 | 84% | 0.84 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.1 | -22.9 | -178.5 | -53.9 | -34.6 | 0 | 0 | 0 | 113 | H102 | H102-D104 VanDerWaalsContact C-N 3.29Å; H102-D104 PolarHBondContact O-N 3.33Å |
| 105 | E | 91.6 | Very high | 91.6 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 20% | 0.196 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -98.6 | -10.5 | -175.2 | -59.4 | -70.4 | -171.5 | 0 | 0 | 112.8 | K77 I99 H102 A103 E107 L109 | K77-E105 HydrophobicContact CD-CG 4.49Å; K77-E105 VanDerWaalsContact CD-OE2 3.3Å; K77-E105 WeakPolarHBondContact CD-OE2 3.36Å; K77-E105 WeakPolarHBondContact CE-OE2 3.46Å; K77-E105 IonicContact NZ-OE2 2.65Å; K77-E105 PolarHBondContact NZ-OE2 2.91Å; I99-E105 HydrophobicContact CG2-CB 3.91Å; H102-E105 HydrophobicContact CB-CB 4.26Å; H102-E105 HydrophobicContact CB-CG 4.03Å; H102-E105 PolarHBondContact O-N 2.85Å; H102-E105 VanDerWaalsContact O-N 3.15Å; A103-E105 PolarHBondContact O-N 3.13Å; E105-E107 PolarHBondContact O-N 2.8Å; E105-L109 WeakPolarHBondContact O-CB 3.5Å; E105-L109 PolarHBondContact O-N 3.09Å; E105-L109 VanDerWaalsContact O-N 3.13Å |
| 106 | L | 92.2 | Very high | 91.7 | Very high | 8 Ų | 8 | 53.5 Ų | 53.5 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.9 | -43.3 | -175 | -179.5 | 61.7 | 0 | 0 | 0 | 111.7 | V100 H102 A103 L109 M110 L126 M139 E142 | V100-L106 HydrophobicContact CG1-CD1 4.12Å; V100-L106 HydrophobicContact CG2-CD1 4.32Å; H102-L106 PolarHBondContact O-N 2.9Å; A103-L106 PolarHBondContact O-N 3.35Å; L106-L109 PolarHBondContact O-N 3.35Å; L106-M110 HydrophobicContact CD1-CG 4.28Å; L106-M110 HydrophobicContact CD1-SD 4.27Å; L106-M110 HydrophobicContact CG-SD 4.14Å; L106-M110 WeakPolarHBondContact O-CB 3.5Å; L106-M110 VanDerWaalsContact O-CG 3.26Å; L106-M110 WeakPolarHBondContact O-CG 3.43Å; L106-M110 PolarHBondContact O-N 3.25Å; L106-L126 HydrophobicContact CD1-CD2 4.21Å; L106-M139 HydrophobicContact CD2-CG 4.28Å; L106-E142 HydrophobicContact CD2-CG 4.09Å |
| 107 | E | 92.2 | Very high | 91.7 | Very high | 153 Ų | 153 | 55.3 Ų | 55.3 | 72% | 0.715 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -63.3 | -46.2 | -178.2 | -174.7 | 171.1 | -168.6 | 0 | 0 | 111.6 | E105 M110 C111 | E105-E107 PolarHBondContact O-N 2.8Å; E107-M110 PolarHBondContact O-N 3.11Å; E107-C111 PolarHBondContact O-N 3.29Å; E107-C111 PolarHBondContact O-SG 3.36Å; E107-C111 VanDerWaalsContact O-SG 3.34Å |
| 108 | E | 93.4 | Very high | 91.8 | Very high | 96 Ų | 96 | 56.2 Ų | 56.2 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.3 | -42.9 | 178.9 | -169.1 | -174.5 | 139.2 | 0 | 0 | 111.9 | K77 M110 C111 Y112 | K77-E108 VanDerWaalsContact CE-OE1 3.22Å; K77-E108 WeakPolarHBondContact CE-OE1 3.28Å; K77-E108 IonicContact NZ-OE1 2.67Å; K77-E108 PolarHBondContact NZ-OE1 2.66Å; K77-E108 IonicContact NZ-OE2 3.95Å; K77-E108 PolarHBondContact NZ-OE2 3.29Å; E108-M110 VanDerWaalsContact C-N 3.3Å; E108-M110 PolarHBondContact O-N 3Å; E108-C111 PolarHBondContact O-N 3.33Å; E108-Y112 PolarHBondContact O-N 3.13Å; E108-Y112 VanDerWaalsContact O-N 3.08Å |
| 109 | L | 93 | Very high | 91.9 | Very high | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -45 | 175.6 | -178.4 | 66 | 0 | 0 | 0 | 110.7 | F81 M84 I99 V100 E105 L106 Y112 Y113 L125 | F81-L109 HydrophobicContact CE1-CD1 3.79Å; M84-L109 HydrophobicContact CE-CD1 4.37Å; I99-L109 HydrophobicContact CB-CD2 4.27Å; I99-L109 HydrophobicContact CD1-CD1 4.33Å; I99-L109 HydrophobicContact CG2-CD2 4.12Å; V100-L109 HydrophobicContact CG2-CD2 3.43Å; V100-L109 VanDerWaalsContact CG2-CD2 3.43Å; E105-L109 WeakPolarHBondContact O-CB 3.5Å; E105-L109 PolarHBondContact O-N 3.09Å; E105-L109 VanDerWaalsContact O-N 3.13Å; L106-L109 PolarHBondContact O-N 3.35Å; L109-Y112 PolarHBondContact O-N 3.36Å; L109-Y113 HydrophobicContact CD1-CD2 4.01Å; L109-Y113 HydrophobicContact CD1-CE2 3.69Å; L109-Y113 HydrophobicContact CG-CD2 4.16Å; L109-Y113 HydrophobicContact CG-CE2 4.12Å; L109-Y113 WeakPolarHBondContact O-CD2 3.03Å; L109-Y113 PolarHBondContact O-N 3.37Å; L109-Y113 VanDerWaalsContact O-N 3.13Å; L109-L125 HydrophobicContact CD2-CD2 4.17Å |
| 110 | M | 91.8 | Very high | 92 | Very high | 7 Ų | 7 | 60.1 Ų | 60.1 | 3% | 0.034 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.8 | -47.1 | 179.4 | -76.2 | -176.2 | 61.7 | 0 | 0 | 112.6 | L106 E107 E108 Y112 Y113 Q114 L122 E142 | L106-M110 HydrophobicContact CD1-CG 4.28Å; L106-M110 HydrophobicContact CD1-SD 4.27Å; L106-M110 HydrophobicContact CG-SD 4.14Å; L106-M110 WeakPolarHBondContact O-CB 3.5Å; L106-M110 VanDerWaalsContact O-CG 3.26Å; L106-M110 WeakPolarHBondContact O-CG 3.43Å; L106-M110 PolarHBondContact O-N 3.25Å; E107-M110 PolarHBondContact O-N 3.11Å; E108-M110 VanDerWaalsContact C-N 3.3Å; E108-M110 PolarHBondContact O-N 3Å; M110-Y112 PolarHBondContact O-N 2.92Å; M110-Y113 PolarHBondContact O-N 3.13Å; M110-Y113 VanDerWaalsContact O-N 3.16Å; M110-Q114 WeakPolarHBondContact O-CB 3.39Å; M110-Q114 VanDerWaalsContact O-CG 3.25Å; M110-Q114 WeakPolarHBondContact O-CG 3.17Å; M110-Q114 PolarHBondContact O-N 3.09Å; M110-L122 HydrophobicContact CG-CD1 4.27Å; M110-L122 HydrophobicContact CG-CD2 4.29Å; M110-E142 HydrophobicContact CE-CB 3.71Å; M110-E142 HydrophobicContact CE-CG 3.96Å; M110-E142 VanDerWaalsContact CE-OE2 3.25Å; M110-E142 WeakPolarHBondContact CE-OE2 3.39Å; M110-E142 HydrophobicContact SD-CB 3.44Å; M110-E142 WeakPolarHBondContact SD-CB 3.4Å; M110-E142 HydrophobicContact SD-CG 3.4Å; M110-E142 WeakPolarHBondContact SD-CG 3.36Å |
| 111 | C | 93.1 | Very high | 92 | Very high | 58 Ų | 58 | 62.7 Ų | 62.7 | 39% | 0.392 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.9 | -43.7 | 176.1 | -70.3 | 0 | 0 | 0 | 0 | 110.7 | E107 E108 Y113 Q114 D115 | E107-C111 PolarHBondContact O-N 3.29Å; E107-C111 PolarHBondContact O-SG 3.36Å; E107-C111 VanDerWaalsContact O-SG 3.34Å; E108-C111 PolarHBondContact O-N 3.33Å; C111-Y113 PolarHBondContact O-N 3.08Å; C111-Q114 PolarHBondContact O-N 2.86Å; C111-D115 WeakPolarHBondContact O-CB 3.32Å; C111-D115 PolarHBondContact O-N 2.93Å |
| 112 | Y | 92.8 | Very high | 92.2 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.2 | -38.6 | 179.3 | -167.6 | -81.8 | 0 | 0 | 0 | 113.7 | F81 M84 D85 E108 L109 M110 R116 | F81-Y112 WeakPolarHBondContact CA-OH 3.41Å; F81-Y112 HydrophobicContact CB-CE1 3.89Å; F81-Y112 HydrophobicContact CB-CE2 3.84Å; F81-Y112 VanDerWaalsContact CB-CZ 3.4Å; F81-Y112 WeakPolarHBondContact CB-OH 3.07Å; F81-Y112 AromaticContact CD1-CD1 3.64Å; F81-Y112 HydrophobicContact CD1-CD1 3.64Å; F81-Y112 AromaticContact CD1-CD2 3.98Å; F81-Y112 HydrophobicContact CD1-CD2 3.98Å; F81-Y112 AromaticContact CD1-CE1 3.74Å; F81-Y112 HydrophobicContact CD1-CE1 3.74Å; F81-Y112 HydrophobicContact CD1-CE2 4.08Å; F81-Y112 AromaticContact CD1-CG 3.74Å; F81-Y112 HydrophobicContact CD1-CG 3.74Å; F81-Y112 AromaticContact CD1-CZ 3.93Å; F81-Y112 AromaticContact CD2-CD2 3.8Å; F81-Y112 HydrophobicContact CD2-CD2 3.8Å; F81-Y112 AromaticContact CD2-CE2 3.64Å; F81-Y112 HydrophobicContact CD2-CE2 3.64Å; F81-Y112 HydrophobicContact CD2-CG 4.38Å; F81-Y112 AromaticContact CE1-CD1 3.91Å; F81-Y112 HydrophobicContact CE1-CD1 3.91Å; F81-Y112 HydrophobicContact CE1-CD2 4Å; F81-Y112 HydrophobicContact CE1-CE1 4.45Å; F81-Y112 AromaticContact CE1-CG 3.63Å; F81-Y112 HydrophobicContact CE1-CG 3.63Å; F81-Y112 AromaticContact CE2-CD2 3.85Å; F81-Y112 HydrophobicContact CE2-CD2 3.85Å; F81-Y112 HydrophobicContact CE2-CE2 4.18Å; F81-Y112 HydrophobicContact CE2-CG 4.31Å; F81-Y112 HydrophobicContact CG-CD1 4.14Å; F81-Y112 AromaticContact CG-CD2 3.87Å; F81-Y112 HydrophobicContact CG-CD2 3.87Å; F81-Y112 AromaticContact CG-CE1 3.87Å; F81-Y112 HydrophobicContact CG-CE1 3.87Å; F81-Y112 AromaticContact CG-CE2 3.58Å; F81-Y112 HydrophobicContact CG-CE2 3.58Å; F81-Y112 HydrophobicContact CG-CG 4.11Å; F81-Y112 AromaticContact CG-CZ 3.55Å; F81-Y112 AromaticContact CZ-CD2 3.94Å; F81-Y112 HydrophobicContact CZ-CD2 3.94Å; F81-Y112 AromaticContact CZ-CG 3.94Å; F81-Y112 HydrophobicContact CZ-CG 3.94Å; F81-Y112 PolarHBondContact O-OH 3.28Å; M84-Y112 HydrophobicContact CB-CE1 4.1Å; M84-Y112 HydrophobicContact CE-CD1 3.25Å; M84-Y112 HydrophobicContact CE-CE1 3.42Å; M84-Y112 VanDerWaalsContact CE-CE1 3.42Å; M84-Y112 HydrophobicContact CE-CG 4.33Å; M84-Y112 HydrophobicContact SD-CD1 3.84Å; M84-Y112 HydrophobicContact SD-CE1 3.98Å; D85-Y112 PolarHBondContact OD1-OH 3.24Å; D85-Y112 PolarHBondContact OD2-OH 3.41Å; E108-Y112 PolarHBondContact O-N 3.13Å; E108-Y112 VanDerWaalsContact O-N 3.08Å; L109-Y112 PolarHBondContact O-N 3.36Å; M110-Y112 PolarHBondContact O-N 2.92Å; Y112-R116 VanDerWaalsContact CD1-NH1 3.31Å; Y112-R116 VanDerWaalsContact CD2-NH1 3.28Å; Y112-R116 VanDerWaalsContact CE2-CZ 3.44Å; Y112-R116 VanDerWaalsContact CE2-NH2 3.35Å; Y112-R116 PolarHBondContact O-NH1 2.99Å; Y112-R116 PolarHBondContact OH-NH2 3.47Å |
| 113 | Y | 93.1 | Very high | 92.4 | Very high | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.012 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -69.5 | -41 | 173.6 | -91 | -97.7 | 0 | 0 | 0 | 112 | M84 L109 M110 C111 R116 G117 Y118 E121 L122 L125 | M84-Y113 HydrophobicContact CE-CD2 3.78Å; M84-Y113 HydrophobicContact CE-CE2 3.4Å; M84-Y113 HydrophobicContact CG-CE1 4.49Å; M84-Y113 HydrophobicContact CG-CE2 4.49Å; M84-Y113 HydrophobicContact SD-CD1 3.87Å; M84-Y113 HydrophobicContact SD-CD2 3.46Å; M84-Y113 WeakPolarHBondContact SD-CD2 3.45Å; M84-Y113 HydrophobicContact SD-CE1 3.62Å; M84-Y113 HydrophobicContact SD-CE2 3.18Å; M84-Y113 WeakPolarHBondContact SD-CE2 3.2Å; M84-Y113 HydrophobicContact SD-CG 3.8Å; L109-Y113 HydrophobicContact CD1-CD2 4.01Å; L109-Y113 HydrophobicContact CD1-CE2 3.69Å; L109-Y113 HydrophobicContact CG-CD2 4.16Å; L109-Y113 HydrophobicContact CG-CE2 4.12Å; L109-Y113 WeakPolarHBondContact O-CD2 3.03Å; L109-Y113 PolarHBondContact O-N 3.37Å; L109-Y113 VanDerWaalsContact O-N 3.13Å; M110-Y113 PolarHBondContact O-N 3.13Å; M110-Y113 VanDerWaalsContact O-N 3.16Å; C111-Y113 PolarHBondContact O-N 3.08Å; Y113-R116 PolarHBondContact O-N 3.49Å; Y113-G117 PolarHBondContact O-N 2.83Å; Y113-Y118 PolarHBondContact O-N 3.07Å; Y113-E121 HydrophobicContact CE1-CB 4.11Å; Y113-L122 HydrophobicContact CD1-CB 3.76Å; Y113-L122 HydrophobicContact CD1-CD1 4.35Å; Y113-L122 HydrophobicContact CD2-CD1 4.18Å; Y113-L122 HydrophobicContact CE1-CB 4.44Å; Y113-L122 HydrophobicContact CG-CB 4.08Å; Y113-L122 HydrophobicContact CG-CD1 4Å; Y113-L122 HydrophobicContact CG-CG 4.45Å; Y113-L125 HydrophobicContact CE2-CD2 4.2Å |
| 114 | Q | 91.8 | Very high | 92.7 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 35% | 0.35 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -69.7 | -42.1 | -177.7 | -70.5 | 178.9 | 5.3 | 0 | 0 | 112.3 | M110 C111 R116 G117 F119 L122 | M110-Q114 WeakPolarHBondContact O-CB 3.39Å; M110-Q114 VanDerWaalsContact O-CG 3.25Å; M110-Q114 WeakPolarHBondContact O-CG 3.17Å; M110-Q114 PolarHBondContact O-N 3.09Å; C111-Q114 PolarHBondContact O-N 2.86Å; Q114-R116 PolarHBondContact O-N 3.37Å; Q114-G117 PolarHBondContact O-N 3.09Å; Q114-F119 HydrophobicContact CB-CE1 4.1Å; Q114-F119 HydrophobicContact CG-CD1 4.35Å; Q114-F119 HydrophobicContact CG-CE1 3.93Å; Q114-L122 HydrophobicContact CG-CD2 4.4Å |
| 115 | D | 93.6 | Very high | 92.8 | Very high | 136 Ų | 136 | 51 Ų | 51 | 73% | 0.727 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -61 | -28.7 | 178.9 | -71.2 | -19.7 | 0 | 0 | 0 | 112.4 | C111 | C111-D115 WeakPolarHBondContact O-CB 3.32Å; C111-D115 PolarHBondContact O-N 2.93Å |
| 116 | R | 91.4 | Very high | 92.9 | Very high | 86 Ų | 86 | 49 Ų | 49 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -8.7 | 175.9 | -69.8 | 174.3 | 174.8 | 61.9 | 7.8 | 113.8 | D85 Y112 Y113 Q114 Y118 | D85-R116 IonicContact OD1-CZ 2.68Å; D85-R116 IonicContact OD1-NE 3.65Å; D85-R116 PolarHBondContact OD1-NE 3.31Å; D85-R116 IonicContact OD1-NH2 2.66Å; D85-R116 PolarHBondContact OD1-NH2 3.27Å; D85-R116 IonicContact OD2-NH2 3.82Å; Y112-R116 VanDerWaalsContact CD1-NH1 3.31Å; Y112-R116 VanDerWaalsContact CD2-NH1 3.28Å; Y112-R116 VanDerWaalsContact CE2-CZ 3.44Å; Y112-R116 VanDerWaalsContact CE2-NH2 3.35Å; Y112-R116 PolarHBondContact O-NH1 2.99Å; Y112-R116 PolarHBondContact OH-NH2 3.47Å; Y113-R116 PolarHBondContact O-N 3.49Å; Q114-R116 PolarHBondContact O-N 3.37Å; R116-Y118 VanDerWaalsContact C-N 3.35Å; R116-Y118 HydrophobicContact CB-CD2 3.52Å; R116-Y118 HydrophobicContact CB-CE2 3.62Å; R116-Y118 HydrophobicContact CB-CG 4.28Å; R116-Y118 HydrophobicContact CG-CD2 4.45Å; R116-Y118 HydrophobicContact CG-CE2 4.26Å |
| 117 | G | 91.8 | Very high | 92.9 | Very high | 37 Ų | 37 | 51.3 Ų | 51.3 | 38% | 0.381 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 16.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y113 Q114 F119 | Y113-G117 PolarHBondContact O-N 2.83Å; Q114-G117 PolarHBondContact O-N 3.09Å; G117-F119 VanDerWaalsContact O-CD2 3.28Å; G117-F119 WeakPolarHBondContact O-CD2 3.23Å; G117-F119 PolarHBondContact O-N 2.89Å |
| 118 | Y | 93.3 | Very high | 92.9 | Very high | 57 Ų | 57 | 46.1 Ų | 46.1 | 22% | 0.224 | 24% | 0.237 | C | C | . | . | trans | -84.3 | 59.8 | -179.9 | -60.4 | -47.8 | 0 | 0 | 0 | 112.1 | F89 Y113 R116 L122 | F89-Y118 AromaticContact CE1-CD1 3.87Å; F89-Y118 HydrophobicContact CE1-CD1 3.87Å; F89-Y118 HydrophobicContact CE1-CD2 4.02Å; F89-Y118 AromaticContact CE1-CE1 3.91Å; F89-Y118 HydrophobicContact CE1-CE1 3.91Å; F89-Y118 HydrophobicContact CE1-CE2 4.02Å; F89-Y118 AromaticContact CE1-CG 3.95Å; F89-Y118 HydrophobicContact CE1-CG 3.95Å; F89-Y118 AromaticContact CE1-CZ 3.99Å; F89-Y118 AromaticContact CZ-CD1 3.94Å; F89-Y118 HydrophobicContact CZ-CD1 3.94Å; F89-Y118 AromaticContact CZ-CE1 3.66Å; F89-Y118 HydrophobicContact CZ-CE1 3.66Å; F89-Y118 HydrophobicContact CZ-CE2 4.43Å; F89-Y118 HydrophobicContact CZ-CG 4.48Å; F89-Y118 AromaticContact CZ-CZ 3.93Å; Y113-Y118 PolarHBondContact O-N 3.07Å; R116-Y118 VanDerWaalsContact C-N 3.35Å; R116-Y118 HydrophobicContact CB-CD2 3.52Å; R116-Y118 HydrophobicContact CB-CE2 3.62Å; R116-Y118 HydrophobicContact CB-CG 4.28Å; R116-Y118 HydrophobicContact CG-CD2 4.45Å; R116-Y118 HydrophobicContact CG-CE2 4.26Å; Y118-L122 PolarHBondContact O-N 3.41Å | ||
| 119 | F | 92.6 | Very high | 92.9 | Very high | 61 Ų | 61 | 41.5 Ų | 41.5 | 27% | 0.268 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -70.5 | -38 | -175.1 | -55 | -72.6 | 0 | 0 | 0 | 113.6 | Q114 G117 L122 I123 F150 | Q114-F119 HydrophobicContact CB-CE1 4.1Å; Q114-F119 HydrophobicContact CG-CD1 4.35Å; Q114-F119 HydrophobicContact CG-CE1 3.93Å; G117-F119 VanDerWaalsContact O-CD2 3.28Å; G117-F119 WeakPolarHBondContact O-CD2 3.23Å; G117-F119 PolarHBondContact O-N 2.89Å; F119-L122 PolarHBondContact O-N 2.84Å; F119-I123 VanDerWaalsContact O-CG1 3.28Å; F119-I123 WeakPolarHBondContact O-CG1 3.48Å; F119-I123 PolarHBondContact O-N 3.19Å; F119-F150 HydrophobicContact CB-CD1 4.3Å; F119-F150 HydrophobicContact CB-CD2 4.1Å; F119-F150 HydrophobicContact CB-CE1 4.04Å; F119-F150 HydrophobicContact CB-CE2 3.84Å; F119-F150 HydrophobicContact CB-CG 4.33Å; F119-F150 HydrophobicContact CB-CZ 3.82Å; F119-F150 HydrophobicContact CD1-CD2 4.44Å; F119-F150 HydrophobicContact CD1-CE1 4.22Å; F119-F150 AromaticContact CD1-CE2 3.42Å; F119-F150 HydrophobicContact CD1-CE2 3.42Å; F119-F150 VanDerWaalsContact CD1-CE2 3.42Å; F119-F150 AromaticContact CD1-CZ 3.29Å; F119-F150 HydrophobicContact CD1-CZ 3.29Å; F119-F150 AromaticContact CD2-CE1 3.67Å; F119-F150 HydrophobicContact CD2-CE1 3.67Å; F119-F150 HydrophobicContact CD2-CE2 4.36Å; F119-F150 AromaticContact CD2-CZ 3.54Å; F119-F150 HydrophobicContact CD2-CZ 3.54Å; F119-F150 HydrophobicContact CE1-CE2 4.03Å; F119-F150 AromaticContact CE1-CZ 3.62Å; F119-F150 HydrophobicContact CE1-CZ 3.62Å; F119-F150 HydrophobicContact CE2-CE1 4.15Å; F119-F150 AromaticContact CE2-CZ 3.85Å; F119-F150 HydrophobicContact CE2-CZ 3.85Å; F119-F150 HydrophobicContact CG-CD1 4.45Å; F119-F150 HydrophobicContact CG-CD2 4.36Å; F119-F150 AromaticContact CG-CE1 3.71Å; F119-F150 HydrophobicContact CG-CE1 3.71Å; F119-F150 AromaticContact CG-CE2 3.62Å; F119-F150 HydrophobicContact CG-CE2 3.62Å; F119-F150 AromaticContact CG-CZ 3.24Å; F119-F150 HydrophobicContact CG-CZ 3.24Å; F119-F150 AromaticContact CZ-CZ 3.9Å; F119-F150 HydrophobicContact CZ-CZ 3.9Å |
| 120 | E | 92.6 | Very high | 92.7 | Very high | 93 Ų | 93 | 42.7 Ų | 42.7 | 44% | 0.435 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.4 | -45.6 | 179.6 | -74.4 | -65.1 | 152.9 | 0 | 0 | 111.9 | L122 I123 L124 K151 | E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.09Å; E120-I123 PolarHBondContact O-N 3.48Å; E120-L124 WeakPolarHBondContact O-CG 3.17Å; E120-L124 PolarHBondContact O-N 3.44Å; E120-K151 WeakPolarHBondContact OE1-CE 3.25Å; E120-K151 IonicContact OE1-NZ 3.3Å; E120-K151 WeakPolarHBondContact OE2-CE 3.48Å; E120-K151 IonicContact OE2-NZ 2.61Å; E120-K151 PolarHBondContact OE2-NZ 3.35Å |
| 121 | E | 92.6 | Very high | 92.6 | Very high | 55 Ų | 55 | 45.8 Ų | 45.8 | 26% | 0.257 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -67 | -36.4 | 178.5 | -60.4 | -57.8 | 145.6 | 0 | 0 | 111.8 | F89 Y113 L124 L125 | F89-E121 HydrophobicContact CB-CG 4.25Å; F89-E121 HydrophobicContact CD1-CB 4.39Å; F89-E121 HydrophobicContact CD1-CG 3.74Å; F89-E121 HydrophobicContact CE1-CG 4.22Å; F89-E121 HydrophobicContact CG-CG 3.92Å; Y113-E121 HydrophobicContact CE1-CB 4.11Å; E121-L124 PolarHBondContact O-N 3.41Å; E121-L125 VanDerWaalsContact O-CB 3.31Å; E121-L125 WeakPolarHBondContact O-CB 3.4Å; E121-L125 PolarHBondContact O-N 3.08Å |
| 122 | L | 94.1 | Very high | 92.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 173.8 | -178.8 | 60.3 | 0 | 0 | 0 | 111.7 | M110 Y113 Q114 Y118 F119 E120 L125 L126 L146 | M110-L122 HydrophobicContact CG-CD1 4.27Å; M110-L122 HydrophobicContact CG-CD2 4.29Å; Y113-L122 HydrophobicContact CD1-CB 3.76Å; Y113-L122 HydrophobicContact CD1-CD1 4.35Å; Y113-L122 HydrophobicContact CD2-CD1 4.18Å; Y113-L122 HydrophobicContact CE1-CB 4.44Å; Y113-L122 HydrophobicContact CG-CB 4.08Å; Y113-L122 HydrophobicContact CG-CD1 4Å; Y113-L122 HydrophobicContact CG-CG 4.45Å; Q114-L122 HydrophobicContact CG-CD2 4.4Å; Y118-L122 PolarHBondContact O-N 3.41Å; F119-L122 PolarHBondContact O-N 2.84Å; E120-L122 VanDerWaalsContact C-N 3.34Å; E120-L122 PolarHBondContact O-N 3.09Å; L122-L125 PolarHBondContact O-N 3.03Å; L122-L126 HydrophobicContact CD1-CD1 4.4Å; L122-L126 HydrophobicContact CD1-CG 4.47Å; L122-L126 HydrophobicContact CG-CD1 4.38Å; L122-L126 WeakPolarHBondContact O-CG 3.47Å; L122-L126 PolarHBondContact O-N 3.45Å; L122-L146 HydrophobicContact CD2-CD1 3.67Å; L122-L146 HydrophobicContact CD2-CD2 4.14Å; L122-L146 HydrophobicContact CG-CD1 3.76Å |
| 123 | I | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 175.8 | -69.5 | 164.8 | 0 | 0 | 0 | 110 | F119 E120 L125 L126 E127 L143 L146 Y147 F150 | F119-I123 VanDerWaalsContact O-CG1 3.28Å; F119-I123 WeakPolarHBondContact O-CG1 3.48Å; F119-I123 PolarHBondContact O-N 3.19Å; E120-I123 PolarHBondContact O-N 3.48Å; I123-L125 VanDerWaalsContact C-N 3.32Å; I123-L125 PolarHBondContact O-N 3.27Å; I123-L126 PolarHBondContact O-N 3.27Å; I123-E127 HydrophobicContact CG2-CG 4.25Å; I123-E127 WeakPolarHBondContact O-CB 3.4Å; I123-E127 WeakPolarHBondContact O-CG 3.49Å; I123-E127 PolarHBondContact O-N 3.29Å; I123-L143 HydrophobicContact CG2-CD1 4.23Å; I123-L146 HydrophobicContact CD1-CB 4.35Å; I123-L146 HydrophobicContact CG1-CB 3.92Å; I123-L146 HydrophobicContact CG1-CD1 4.16Å; I123-Y147 HydrophobicContact CG2-CD1 4.35Å; I123-Y147 HydrophobicContact CG2-CE1 3.67Å; I123-F150 HydrophobicContact CD1-CB 3.94Å; I123-F150 HydrophobicContact CD1-CD2 4.41Å; I123-F150 HydrophobicContact CD1-CG 4.48Å |
| 124 | L | 93.8 | Very high | 91.9 | Very high | 67 Ų | 67 | 61.6 Ų | 61.6 | 35% | 0.351 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.8 | -38.6 | 177.8 | -72 | 172.6 | 0 | 0 | 0 | 112.7 | Q93 E120 E121 A128 | Q93-L124 PolarHBondContact NE2-O 3.38Å; E120-L124 WeakPolarHBondContact O-CG 3.17Å; E120-L124 PolarHBondContact O-N 3.44Å; E121-L124 PolarHBondContact O-N 3.41Å; L124-A128 WeakPolarHBondContact O-CB 3.36Å; L124-A128 PolarHBondContact O-N 3.45Å; L124-A128 VanDerWaalsContact O-N 3.12Å |
| 125 | L | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.8 | -48.8 | 174.6 | 173.2 | 64.1 | 0 | 0 | 0 | 111 | Q93 L97 V100 L109 Y113 E121 L122 I123 A128 A129 | Q93-L125 HydrophobicContact CG-CB 4.37Å; Q93-L125 HydrophobicContact CG-CD1 3.93Å; Q93-L125 VanDerWaalsContact O-CD1 3.29Å; Q93-L125 WeakPolarHBondContact O-CD1 3.28Å; L97-L125 HydrophobicContact CD2-CD1 3.9Å; L97-L125 HydrophobicContact CG-CD1 3.92Å; V100-L125 HydrophobicContact CG2-CD2 4.01Å; V100-L125 HydrophobicContact CG2-CG 4.27Å; L109-L125 HydrophobicContact CD2-CD2 4.17Å; Y113-L125 HydrophobicContact CE2-CD2 4.2Å; E121-L125 VanDerWaalsContact O-CB 3.31Å; E121-L125 WeakPolarHBondContact O-CB 3.4Å; E121-L125 PolarHBondContact O-N 3.08Å; L122-L125 PolarHBondContact O-N 3.03Å; I123-L125 VanDerWaalsContact C-N 3.32Å; I123-L125 PolarHBondContact O-N 3.27Å; L125-A128 PolarHBondContact O-N 2.89Å; L125-A129 VanDerWaalsContact O-CB 3.3Å; L125-A129 WeakPolarHBondContact O-CB 3.25Å; L125-A129 PolarHBondContact O-N 2.97Å |
| 126 | L | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -66.6 | -44.6 | 179.5 | -72.3 | 174.3 | 0 | 0 | 0 | 111.5 | V100 L106 L122 I123 A128 A129 L130 L143 L146 | V100-L126 HydrophobicContact CG1-CD2 3.98Å; L106-L126 HydrophobicContact CD1-CD2 4.21Å; L122-L126 HydrophobicContact CD1-CD1 4.4Å; L122-L126 HydrophobicContact CD1-CG 4.47Å; L122-L126 HydrophobicContact CG-CD1 4.38Å; L122-L126 WeakPolarHBondContact O-CG 3.47Å; L122-L126 PolarHBondContact O-N 3.45Å; I123-L126 PolarHBondContact O-N 3.27Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 3.17Å; L126-A129 CarbonylContact O-C 3.59Å; L126-A129 WeakPolarHBondContact O-CA 3.41Å; L126-A129 WeakPolarHBondContact O-CB 3.5Å; L126-A129 PolarHBondContact O-N 3.22Å; L126-L130 WeakPolarHBondContact O-CD1 3.46Å; L126-L130 PolarHBondContact O-N 3.22Å; L126-L143 HydrophobicContact CB-CB 4.35Å; L126-L143 HydrophobicContact CB-CD1 3.97Å; L126-L143 HydrophobicContact CB-CD2 4.47Å; L126-L143 HydrophobicContact CD1-CB 4.25Å; L126-L143 HydrophobicContact CD1-CD1 4.42Å; L126-L146 HydrophobicContact CD1-CD1 3.58Å |
| 127 | E | 92.4 | Very high | 91.9 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -51.5 | -45.8 | 174.4 | -78.9 | -178.2 | -176.6 | 0 | 0 | 111.5 | I123 Y147 K154 | I123-E127 HydrophobicContact CG2-CG 4.25Å; I123-E127 WeakPolarHBondContact O-CB 3.4Å; I123-E127 WeakPolarHBondContact O-CG 3.49Å; I123-E127 PolarHBondContact O-N 3.29Å; E127-Y147 WeakPolarHBondContact CG-OH 3.42Å; E127-Y147 PolarHBondContact OE1-OH 3.12Å; E127-K154 IonicContact OE1-NZ 2.68Å; E127-K154 PolarHBondContact OE1-NZ 3.27Å; E127-K154 IonicContact OE2-NZ 3.15Å |
| 128 | A | 93.4 | Very high | 92 | Very high | 43 Ų | 43 | 54 Ų | 54 | 36% | 0.355 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.4 | -36.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L97 L124 L125 L126 L130 G131 | L97-A128 HydrophobicContact CD2-CB 3.95Å; L124-A128 WeakPolarHBondContact O-CB 3.36Å; L124-A128 PolarHBondContact O-N 3.45Å; L124-A128 VanDerWaalsContact O-N 3.12Å; L125-A128 PolarHBondContact O-N 2.89Å; L126-A128 VanDerWaalsContact C-N 3.27Å; L126-A128 PolarHBondContact O-N 3.17Å; A128-L130 VanDerWaalsContact C-N 3.32Å; A128-L130 PolarHBondContact O-N 2.93Å; A128-G131 PolarHBondContact O-N 3.04Å |
| 129 | A | 91.9 | Very high | 92 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.2 | -27.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | L97 V100 L125 L126 G131 L132 M139 | L97-A129 HydrophobicContact CD2-CB 3.75Å; V100-A129 HydrophobicContact CB-CB 4.4Å; V100-A129 HydrophobicContact CG1-CB 3.76Å; L125-A129 VanDerWaalsContact O-CB 3.3Å; L125-A129 WeakPolarHBondContact O-CB 3.25Å; L125-A129 PolarHBondContact O-N 2.97Å; L126-A129 CarbonylContact O-C 3.59Å; L126-A129 WeakPolarHBondContact O-CA 3.41Å; L126-A129 WeakPolarHBondContact O-CB 3.5Å; L126-A129 PolarHBondContact O-N 3.22Å; A129-G131 PolarHBondContact O-N 2.72Å; A129-L132 HydrophobicContact CB-CD1 4.31Å; A129-L132 WeakPolarHBondContact O-CB 3.24Å; A129-L132 WeakPolarHBondContact O-CG 3.38Å; A129-L132 PolarHBondContact O-N 3.4Å; A129-L132 VanDerWaalsContact O-N 3.09Å; A129-M139 HydrophobicContact CB-CE 3.25Å; A129-M139 WeakPolarHBondContact O-CE 3.28Å |
| 130 | L | 90.3 | Very high | 92.1 | Very high | 26 Ų | 26 | 48.3 Ų | 48.3 | 14% | 0.136 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -27.7 | 175.5 | -92.3 | 76.8 | 0 | 0 | 0 | 113.1 | L126 A128 L132 F140 L143 F162 | L126-L130 WeakPolarHBondContact O-CD1 3.46Å; L126-L130 PolarHBondContact O-N 3.22Å; A128-L130 VanDerWaalsContact C-N 3.32Å; A128-L130 PolarHBondContact O-N 2.93Å; L130-L132 VanDerWaalsContact C-N 3.25Å; L130-L132 PolarHBondContact O-N 3.34Å; L130-F140 HydrophobicContact CB-CE1 4.4Å; L130-F140 HydrophobicContact CD2-CD1 3.62Å; L130-F140 HydrophobicContact CD2-CE1 3.53Å; L130-F140 HydrophobicContact CG-CD1 3.9Å; L130-F140 HydrophobicContact CG-CE1 3.59Å; L130-F140 HydrophobicContact CG-CZ 4.18Å; L130-L143 HydrophobicContact CD1-CD2 3.43Å; L130-L143 VanDerWaalsContact CD1-CD2 3.43Å; L130-L143 HydrophobicContact CD2-CD2 3.86Å; L130-L143 HydrophobicContact CG-CD2 4.32Å; L130-F162 HydrophobicContact CD2-CD2 4.06Å; L130-F162 HydrophobicContact CD2-CE2 3.76Å; L130-F162 HydrophobicContact CD2-CZ 4.15Å |
| 131 | G | 89.1 | Confident | 92.3 | Very high | 71 Ų | 71 | 44.1 Ų | 44.1 | 73% | 0.732 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A128 A129 | A128-G131 PolarHBondContact O-N 3.04Å; A129-G131 PolarHBondContact O-N 2.72Å |
| 132 | L | 90 | Very high | 92.3 | Very high | 58 Ų | 58 | 43 Ų | 43 | 30% | 0.304 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -80.2 | 139.7 | -178.9 | -60.1 | 173.5 | 0 | 0 | 0 | 111.2 | L97 I101 A129 L130 R134 A135 | L97-L132 HydrophobicContact CD2-CD1 4.27Å; I101-L132 HydrophobicContact CD1-CD1 4.07Å; I101-L132 HydrophobicContact CG1-CD1 3.89Å; A129-L132 HydrophobicContact CB-CD1 4.31Å; A129-L132 WeakPolarHBondContact O-CB 3.24Å; A129-L132 WeakPolarHBondContact O-CG 3.38Å; A129-L132 PolarHBondContact O-N 3.4Å; A129-L132 VanDerWaalsContact O-N 3.09Å; L130-L132 VanDerWaalsContact C-N 3.25Å; L130-L132 PolarHBondContact O-N 3.34Å; L132-R134 PolarHBondContact O-N 3.43Å; L132-R134 VanDerWaalsContact O-N 3.11Å; L132-A135 WeakPolarHBondContact O-CB 3.47Å; L132-A135 PolarHBondContact O-N 3.26Å; L132-A135 VanDerWaalsContact O-N 3.07Å |
| 133 | E | 84.8 | Confident | 92.3 | Very high | 202 Ų | 202 | 43 Ų | 43 | 94% | 0.944 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -28.3 | 178.7 | -66.4 | -176.5 | 167.1 | 0 | 0 | 113.2 | ||
| 134 | R | 88.7 | Confident | 92.4 | Very high | 170 Ų | 170 | 43 Ų | 43 | 64% | 0.642 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94 | 18.2 | -179.3 | -61.6 | -176.5 | 66.3 | -171.5 | -0.6 | 113.8 | I101 L132 H136 | I101-R134 HydrophobicContact CG2-CB 3.57Å; I101-R134 HydrophobicContact CG2-CG 4.42Å; L132-R134 PolarHBondContact O-N 3.43Å; L132-R134 VanDerWaalsContact O-N 3.11Å; R134-H136 PolarHBondContact O-N 3.25Å |
| 135 | A | 91.9 | Very high | 92.4 | Very high | 10 Ų | 10 | 40.9 Ų | 40.9 | 8% | 0.083 | 22% | 0.222 | C | C | . | . | trans | -62.8 | 135.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L132 M139 F140 R165 | L132-A135 WeakPolarHBondContact O-CB 3.47Å; L132-A135 PolarHBondContact O-N 3.26Å; L132-A135 VanDerWaalsContact O-N 3.07Å; A135-M139 HydrophobicContact CB-CE 4Å; A135-M139 HydrophobicContact CB-SD 3.96Å; A135-F140 HydrophobicContact CB-CE2 4.02Å; A135-F140 HydrophobicContact CB-CZ 4.1Å; A135-R165 PolarHBondContact O-NH2 2.95Å | ||
| 136 | H | 93.2 | Very high | 92.4 | Very high | 41 Ų | 41 | 41 Ų | 41 | 19% | 0.19 | 22% | 0.223 | C | C | . | . | trans | -118.3 | 166.7 | -178.1 | 66.7 | -89 | 0 | 0 | 0 | 111.2 | V100 A103 R134 G138 M139 F140 | V100-H136 PolarHBondContact O-CE1 3.27Å; A103-H136 WeakPolarHBondContact CA-NE2 3.36Å; R134-H136 PolarHBondContact O-N 3.25Å; H136-G138 VanDerWaalsContact C-N 3.26Å; H136-G138 PolarHBondContact CD2-N 2.93Å; H136-G138 VanDerWaalsContact CD2-N 3.33Å; H136-G138 PolarHBondContact O-N 3.46Å; H136-M139 VanDerWaalsContact CE1-CG 3.5Å; H136-M139 WeakPolarHBondContact CE1-CG 3.28Å; H136-M139 WeakPolarHBondContact O-CB 3.37Å; H136-M139 PolarHBondContact O-N 3.44Å; H136-M139 VanDerWaalsContact O-N 3.15Å; H136-F140 VanDerWaalsContact O-CD2 3.27Å; H136-F140 WeakPolarHBondContact O-CD2 3.46Å | ||
| 137 | M | 92.1 | Very high | 92.5 | Very high | 99 Ų | 99 | 41.7 Ų | 41.7 | 49% | 0.488 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -55.3 | -35.7 | -173.3 | 174.4 | -177.3 | -72.3 | 0 | 0 | 114.4 | M139 F140 T141 R165 N167 | M137-M139 VanDerWaalsContact C-N 3.3Å; M137-M139 PolarHBondContact O-N 3.33Å; M137-F140 PolarHBondContact O-N 3.4Å; M137-T141 PolarHBondContact O-N 3.35Å; M137-T141 VanDerWaalsContact O-N 3.09Å; M137-T141 PolarHBondContact O-OG1 2.56Å; M137-R165 WeakPolarHBondContact CA-O 3.49Å; M137-R165 VanDerWaalsContact CG-O 3.29Å; M137-R165 WeakPolarHBondContact CG-O 3.4Å; M137-N167 HydrophobicContact SD-CB 4.34Å |
| 138 | G | 93.3 | Very high | 92.6 | Very high | 23 Ų | 23 | 39.2 Ų | 39.2 | 24% | 0.237 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -53.8 | -46.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | H136 F140 T141 E142 | H136-G138 VanDerWaalsContact C-N 3.26Å; H136-G138 PolarHBondContact CD2-N 2.93Å; H136-G138 VanDerWaalsContact CD2-N 3.33Å; H136-G138 PolarHBondContact O-N 3.46Å; G138-F140 PolarHBondContact O-N 2.98Å; G138-T141 PolarHBondContact O-N 3.31Å; G138-E142 WeakPolarHBondContact O-CB 3.48Å; G138-E142 VanDerWaalsContact O-CG 3.3Å; G138-E142 WeakPolarHBondContact O-CG 3.32Å; G138-E142 PolarHBondContact O-N 2.9Å |
| 139 | M | 94.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.8 | -45.3 | -179.1 | -58.5 | 168.5 | 56.7 | 0 | 0 | 112.8 | V100 L106 A129 A135 H136 M137 L143 | V100-M139 HydrophobicContact CG1-CE 3.52Å; V100-M139 HydrophobicContact CG1-CG 3.72Å; V100-M139 HydrophobicContact CG1-SD 3.78Å; L106-M139 HydrophobicContact CD2-CG 4.28Å; A129-M139 HydrophobicContact CB-CE 3.25Å; A129-M139 WeakPolarHBondContact O-CE 3.28Å; A135-M139 HydrophobicContact CB-CE 4Å; A135-M139 HydrophobicContact CB-SD 3.96Å; H136-M139 VanDerWaalsContact CE1-CG 3.5Å; H136-M139 WeakPolarHBondContact CE1-CG 3.28Å; H136-M139 WeakPolarHBondContact O-CB 3.37Å; H136-M139 PolarHBondContact O-N 3.44Å; H136-M139 VanDerWaalsContact O-N 3.15Å; M137-M139 VanDerWaalsContact C-N 3.3Å; M137-M139 PolarHBondContact O-N 3.33Å; M139-L143 VanDerWaalsContact O-CB 3.25Å; M139-L143 WeakPolarHBondContact O-CB 3.28Å; M139-L143 PolarHBondContact O-N 2.84Å |
| 140 | F | 95.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.9 | -36.7 | 179.7 | -60.4 | -87.2 | 0 | 0 | 0 | 112.2 | L130 A135 H136 M137 G138 A144 H158 F162 R165 V166 | L130-F140 HydrophobicContact CB-CE1 4.4Å; L130-F140 HydrophobicContact CD2-CD1 3.62Å; L130-F140 HydrophobicContact CD2-CE1 3.53Å; L130-F140 HydrophobicContact CG-CD1 3.9Å; L130-F140 HydrophobicContact CG-CE1 3.59Å; L130-F140 HydrophobicContact CG-CZ 4.18Å; A135-F140 HydrophobicContact CB-CE2 4.02Å; A135-F140 HydrophobicContact CB-CZ 4.1Å; H136-F140 VanDerWaalsContact O-CD2 3.27Å; H136-F140 WeakPolarHBondContact O-CD2 3.46Å; M137-F140 PolarHBondContact O-N 3.4Å; G138-F140 PolarHBondContact O-N 2.98Å; F140-A144 WeakPolarHBondContact O-CB 3.49Å; F140-A144 PolarHBondContact O-N 2.68Å; F140-A144 VanDerWaalsContact O-N 3.12Å; F140-H158 PolarHBondContact O-NE2 2.9Å; F140-F162 HydrophobicContact CD1-CB 3.7Å; F140-F162 AromaticContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD2 4.17Å; F140-F162 AromaticContact CD1-CG 3.66Å; F140-F162 HydrophobicContact CD1-CG 3.66Å; F140-F162 HydrophobicContact CE1-CB 4.22Å; F140-F162 AromaticContact CE1-CD1 3.52Å; F140-F162 HydrophobicContact CE1-CD1 3.52Å; F140-F162 HydrophobicContact CE1-CD2 4.32Å; F140-F162 AromaticContact CE1-CE1 3.89Å; F140-F162 HydrophobicContact CE1-CE1 3.89Å; F140-F162 AromaticContact CE1-CG 3.76Å; F140-F162 HydrophobicContact CE1-CG 3.76Å; F140-F162 HydrophobicContact CE1-CZ 4.44Å; F140-R165 HydrophobicContact CD2-CB 4.06Å; F140-R165 HydrophobicContact CE2-CB 4.34Å; F140-R165 VanDerWaalsContact CE2-CZ 3.4Å; F140-R165 HydrophobicContact CG-CB 4.34Å; F140-R165 VanDerWaalsContact CZ-CZ 3.46Å; F140-R165 VanDerWaalsContact CZ-NH1 3.35Å; F140-V166 HydrophobicContact CB-CG2 3.51Å |
| 141 | T | 95.2 | Very high | 92.7 | Very high | 4 Ų | 4 | 48.3 Ų | 48.3 | 3% | 0.025 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.2 | -48.2 | -179.7 | -54.3 | 0 | 0 | 0 | 0 | 110.7 | M137 G138 A144 I145 N167 K170 V171 | M137-T141 PolarHBondContact O-N 3.35Å; M137-T141 VanDerWaalsContact O-N 3.09Å; M137-T141 PolarHBondContact O-OG1 2.56Å; G138-T141 PolarHBondContact O-N 3.31Å; T141-A144 WeakPolarHBondContact O-CB 3.4Å; T141-A144 PolarHBondContact O-N 3.42Å; T141-I145 HydrophobicContact CG2-CD1 4.33Å; T141-I145 WeakPolarHBondContact O-CG1 3.21Å; T141-I145 PolarHBondContact O-N 3.47Å; T141-I145 VanDerWaalsContact O-N 3.12Å; T141-N167 HydrophobicContact CG2-CB 3.81Å; T141-N167 PolarHBondContact OG1-N 3.34Å; T141-K170 HydrophobicContact CG2-CB 4.19Å; T141-K170 HydrophobicContact CG2-CD 3.94Å; T141-K170 HydrophobicContact CG2-CG 4.4Å; T141-V171 HydrophobicContact CG2-CG2 3.9Å |
| 142 | E | 93.6 | Very high | 92.8 | Very high | 32 Ų | 32 | 47.5 Ų | 47.5 | 15% | 0.15 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.1 | -38.1 | -180 | -66.1 | -52.3 | 144.5 | 0 | 0 | 112 | L106 M110 G138 A144 I145 L146 K170 | L106-E142 HydrophobicContact CD2-CG 4.09Å; M110-E142 HydrophobicContact CE-CB 3.71Å; M110-E142 HydrophobicContact CE-CG 3.96Å; M110-E142 VanDerWaalsContact CE-OE2 3.25Å; M110-E142 WeakPolarHBondContact CE-OE2 3.39Å; M110-E142 HydrophobicContact SD-CB 3.44Å; M110-E142 WeakPolarHBondContact SD-CB 3.4Å; M110-E142 HydrophobicContact SD-CG 3.4Å; M110-E142 WeakPolarHBondContact SD-CG 3.36Å; G138-E142 WeakPolarHBondContact O-CB 3.48Å; G138-E142 VanDerWaalsContact O-CG 3.3Å; G138-E142 WeakPolarHBondContact O-CG 3.32Å; G138-E142 PolarHBondContact O-N 2.9Å; E142-A144 VanDerWaalsContact C-N 3.31Å; E142-A144 PolarHBondContact O-N 2.68Å; E142-I145 PolarHBondContact O-N 3.14Å; E142-L146 WeakPolarHBondContact O-CG 3.39Å; E142-L146 PolarHBondContact O-N 3.37Å; E142-K170 IonicContact OE1-NZ 2.72Å; E142-K170 PolarHBondContact OE1-NZ 3.49Å |
| 143 | L | 94.6 | Very high | 92.9 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -41 | 172.5 | -177.9 | 57.8 | 0 | 0 | 0 | 111.7 | I123 L126 L130 M139 I145 L146 Y147 | I123-L143 HydrophobicContact CG2-CD1 4.23Å; L126-L143 HydrophobicContact CB-CB 4.35Å; L126-L143 HydrophobicContact CB-CD1 3.97Å; L126-L143 HydrophobicContact CB-CD2 4.47Å; L126-L143 HydrophobicContact CD1-CB 4.25Å; L126-L143 HydrophobicContact CD1-CD1 4.42Å; L130-L143 HydrophobicContact CD1-CD2 3.43Å; L130-L143 VanDerWaalsContact CD1-CD2 3.43Å; L130-L143 HydrophobicContact CD2-CD2 3.86Å; L130-L143 HydrophobicContact CG-CD2 4.32Å; M139-L143 VanDerWaalsContact O-CB 3.25Å; M139-L143 WeakPolarHBondContact O-CB 3.28Å; M139-L143 PolarHBondContact O-N 2.84Å; L143-I145 VanDerWaalsContact C-N 3.33Å; L143-I145 PolarHBondContact O-N 3.39Å; L143-L146 PolarHBondContact O-N 3.15Å; L143-Y147 HydrophobicContact CD1-CD1 4.2Å; L143-Y147 HydrophobicContact CD1-CD2 4.39Å; L143-Y147 HydrophobicContact CD1-CE1 3.78Å; L143-Y147 HydrophobicContact CD1-CE2 3.97Å; L143-Y147 HydrophobicContact CD2-CE2 3.89Å; L143-Y147 HydrophobicContact CG-CD2 4.06Å; L143-Y147 HydrophobicContact CG-CE1 4.38Å; L143-Y147 HydrophobicContact CG-CE2 3.63Å; L143-Y147 PolarHBondContact O-N 3.3Å |
| 144 | A | 95.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -38.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F140 T141 E142 L146 Y147 S148 L159 V171 | F140-A144 WeakPolarHBondContact O-CB 3.49Å; F140-A144 PolarHBondContact O-N 2.68Å; F140-A144 VanDerWaalsContact O-N 3.12Å; T141-A144 WeakPolarHBondContact O-CB 3.4Å; T141-A144 PolarHBondContact O-N 3.42Å; E142-A144 VanDerWaalsContact C-N 3.31Å; E142-A144 PolarHBondContact O-N 2.68Å; A144-L146 VanDerWaalsContact C-N 3.32Å; A144-L146 PolarHBondContact O-N 2.87Å; A144-Y147 PolarHBondContact O-N 3.24Å; A144-S148 PolarHBondContact O-N 3.2Å; A144-L159 HydrophobicContact CB-CD2 4.41Å; A144-V171 HydrophobicContact CB-CG1 3.92Å; A144-V171 HydrophobicContact CB-CG2 3.88Å |
| 145 | I | 94.4 | Very high | 93.5 | Very high | 23 Ų | 23 | 39.5 Ų | 39.5 | 12% | 0.118 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.2 | -35.7 | 176.1 | -64.1 | 165 | 0 | 0 | 0 | 111.2 | T141 E142 L143 S148 K170 A174 | T141-I145 HydrophobicContact CG2-CD1 4.33Å; T141-I145 WeakPolarHBondContact O-CG1 3.21Å; T141-I145 PolarHBondContact O-N 3.47Å; T141-I145 VanDerWaalsContact O-N 3.12Å; E142-I145 PolarHBondContact O-N 3.14Å; L143-I145 VanDerWaalsContact C-N 3.33Å; L143-I145 PolarHBondContact O-N 3.39Å; I145-S148 PolarHBondContact O-OG 2.95Å; I145-K170 HydrophobicContact CD1-CD 3.97Å; I145-K170 HydrophobicContact CD1-CG 4.06Å; I145-A174 HydrophobicContact CB-CB 4.43Å; I145-A174 HydrophobicContact CG1-CB 3.91Å; I145-A174 HydrophobicContact CG2-CB 4.29Å |
| 146 | L | 94.2 | Very high | 93.5 | Very high | 3 Ų | 3 | 41.1 Ų | 41.1 | 2% | 0.016 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -71.2 | -41.6 | 174.7 | -67.4 | 170.5 | 0 | 0 | 0 | 111.6 | L122 I123 L126 E142 L143 A144 S148 K149 F150 | L122-L146 HydrophobicContact CD2-CD1 3.67Å; L122-L146 HydrophobicContact CD2-CD2 4.14Å; L122-L146 HydrophobicContact CG-CD1 3.76Å; I123-L146 HydrophobicContact CD1-CB 4.35Å; I123-L146 HydrophobicContact CG1-CB 3.92Å; I123-L146 HydrophobicContact CG1-CD1 4.16Å; L126-L146 HydrophobicContact CD1-CD1 3.58Å; E142-L146 WeakPolarHBondContact O-CG 3.39Å; E142-L146 PolarHBondContact O-N 3.37Å; L143-L146 PolarHBondContact O-N 3.15Å; A144-L146 VanDerWaalsContact C-N 3.32Å; A144-L146 PolarHBondContact O-N 2.87Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.38Å; L146-K149 PolarHBondContact O-N 3.49Å; L146-F150 HydrophobicContact CD2-CD2 4.28Å; L146-F150 HydrophobicContact CD2-CE2 4.1Å; L146-F150 WeakPolarHBondContact O-CD2 3.3Å; L146-F150 PolarHBondContact O-N 3.02Å |
| 147 | Y | 95.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 45 Ų | 45 | 6% | 0.055 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -38.9 | 174.9 | -73.1 | -25 | 0 | 0 | 0 | 112.7 | I123 E127 L143 A144 K149 K151 K154 H158 | I123-Y147 HydrophobicContact CG2-CD1 4.35Å; I123-Y147 HydrophobicContact CG2-CE1 3.67Å; E127-Y147 WeakPolarHBondContact CG-OH 3.42Å; E127-Y147 PolarHBondContact OE1-OH 3.12Å; L143-Y147 HydrophobicContact CD1-CD1 4.2Å; L143-Y147 HydrophobicContact CD1-CD2 4.39Å; L143-Y147 HydrophobicContact CD1-CE1 3.78Å; L143-Y147 HydrophobicContact CD1-CE2 3.97Å; L143-Y147 HydrophobicContact CD2-CE2 3.89Å; L143-Y147 HydrophobicContact CG-CD2 4.06Å; L143-Y147 HydrophobicContact CG-CE1 4.38Å; L143-Y147 HydrophobicContact CG-CE2 3.63Å; L143-Y147 PolarHBondContact O-N 3.3Å; A144-Y147 PolarHBondContact O-N 3.24Å; Y147-K149 PolarHBondContact O-N 3.5Å; Y147-K151 HydrophobicContact CD1-CB 4.05Å; Y147-K151 CarbonylContact O-C 2.98Å; Y147-K151 PolarHBondContact O-N 3.41Å; Y147-K154 HydrophobicContact CD1-CB 4.42Å; Y147-K154 HydrophobicContact CE1-CB 4.25Å; Y147-K154 HydrophobicContact CE1-CD 4.1Å; Y147-K154 HydrophobicContact CE2-CB 4.4Å; Y147-H158 HydrophobicContact CD2-CB 3.85Å; Y147-H158 AromaticContact CD2-CG 3.94Å; Y147-H158 HydrophobicContact CE2-CB 3.71Å; Y147-H158 AromaticContact CE2-CG 3.78Å; Y147-H158 AromaticContact CE2-ND1 3.88Å |
| 148 | S | 94.1 | Very high | 93.6 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -33.5 | 179.6 | 79.6 | 0 | 0 | 0 | 0 | 112.7 | A144 I145 L146 M155 A174 A178 | A144-S148 PolarHBondContact O-N 3.2Å; I145-S148 PolarHBondContact O-OG 2.95Å; L146-S148 VanDerWaalsContact C-N 3.31Å; L146-S148 PolarHBondContact O-N 3.38Å; S148-M155 VanDerWaalsContact CA-SD 3.53Å; S148-M155 VanDerWaalsContact CB-SD 3.51Å; S148-A174 PolarHBondContact OG-O 3.32Å; S148-A178 VanDerWaalsContact O-CB 3.29Å; S148-A178 WeakPolarHBondContact O-CB 3.49Å |
| 149 | K | 92 | Very high | 93.6 | Very high | 133 Ų | 133 | 39.7 Ų | 39.7 | 58% | 0.578 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -90.6 | -40.7 | -178.2 | -65.2 | 179.6 | -179.2 | -179.8 | 0 | 113.9 | L146 Y147 | L146-K149 PolarHBondContact O-N 3.49Å; Y147-K149 PolarHBondContact O-N 3.5Å |
| 150 | F | 92.8 | Very high | 93.6 | Very high | 79 Ų | 79 | 44.7 Ų | 44.7 | 35% | 0.346 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -110.3 | -32.3 | -167.3 | -61.7 | -71.2 | 0 | 0 | 0 | 113.9 | F119 I123 L146 | F119-F150 HydrophobicContact CB-CD1 4.3Å; F119-F150 HydrophobicContact CB-CD2 4.1Å; F119-F150 HydrophobicContact CB-CE1 4.04Å; F119-F150 HydrophobicContact CB-CE2 3.84Å; F119-F150 HydrophobicContact CB-CG 4.33Å; F119-F150 HydrophobicContact CB-CZ 3.82Å; F119-F150 HydrophobicContact CD1-CD2 4.44Å; F119-F150 HydrophobicContact CD1-CE1 4.22Å; F119-F150 AromaticContact CD1-CE2 3.42Å; F119-F150 HydrophobicContact CD1-CE2 3.42Å; F119-F150 VanDerWaalsContact CD1-CE2 3.42Å; F119-F150 AromaticContact CD1-CZ 3.29Å; F119-F150 HydrophobicContact CD1-CZ 3.29Å; F119-F150 AromaticContact CD2-CE1 3.67Å; F119-F150 HydrophobicContact CD2-CE1 3.67Å; F119-F150 HydrophobicContact CD2-CE2 4.36Å; F119-F150 AromaticContact CD2-CZ 3.54Å; F119-F150 HydrophobicContact CD2-CZ 3.54Å; F119-F150 HydrophobicContact CE1-CE2 4.03Å; F119-F150 AromaticContact CE1-CZ 3.62Å; F119-F150 HydrophobicContact CE1-CZ 3.62Å; F119-F150 HydrophobicContact CE2-CE1 4.15Å; F119-F150 AromaticContact CE2-CZ 3.85Å; F119-F150 HydrophobicContact CE2-CZ 3.85Å; F119-F150 HydrophobicContact CG-CD1 4.45Å; F119-F150 HydrophobicContact CG-CD2 4.36Å; F119-F150 AromaticContact CG-CE1 3.71Å; F119-F150 HydrophobicContact CG-CE1 3.71Å; F119-F150 AromaticContact CG-CE2 3.62Å; F119-F150 HydrophobicContact CG-CE2 3.62Å; F119-F150 AromaticContact CG-CZ 3.24Å; F119-F150 HydrophobicContact CG-CZ 3.24Å; F119-F150 AromaticContact CZ-CZ 3.9Å; F119-F150 HydrophobicContact CZ-CZ 3.9Å; I123-F150 HydrophobicContact CD1-CB 3.94Å; I123-F150 HydrophobicContact CD1-CD2 4.41Å; I123-F150 HydrophobicContact CD1-CG 4.48Å; L146-F150 HydrophobicContact CD2-CD2 4.28Å; L146-F150 HydrophobicContact CD2-CE2 4.1Å; L146-F150 WeakPolarHBondContact O-CD2 3.3Å; L146-F150 PolarHBondContact O-N 3.02Å |
| 151 | K | 93.6 | Very high | 93.5 | Very high | 47 Ų | 47 | 50.7 Ų | 50.7 | 20% | 0.204 | 24% | 0.242 | C | C | . | . | trans | -138.3 | 69.6 | -177.3 | -65 | -174.2 | -178.8 | 169 | 0 | 112.3 | E120 Y147 Q153 K154 | E120-K151 WeakPolarHBondContact OE1-CE 3.25Å; E120-K151 IonicContact OE1-NZ 3.3Å; E120-K151 WeakPolarHBondContact OE2-CE 3.48Å; E120-K151 IonicContact OE2-NZ 2.61Å; E120-K151 PolarHBondContact OE2-NZ 3.35Å; Y147-K151 HydrophobicContact CD1-CB 4.05Å; Y147-K151 CarbonylContact O-C 2.98Å; Y147-K151 PolarHBondContact O-N 3.41Å; K151-Q153 PolarHBondContact O-N 3.21Å; K151-Q153 VanDerWaalsContact O-N 3.14Å; K151-K154 HydrophobicContact CD-CD 4.47Å; K151-K154 PolarHBondContact O-N 3.42Å; K151-K154 VanDerWaalsContact O-N 3.16Å | ||
| 152 | P | 91.4 | Very high | 93.4 | Very high | 54 Ų | 54 | 53.2 Ų | 53.2 | 35% | 0.351 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -52 | -38.4 | 179 | -31.5 | 38.2 | 0 | 0 | 0 | 114.1 | K154 M155 L180 | P152-K154 PolarHBondContact O-N 2.72Å; P152-K154 VanDerWaalsContact O-N 3.15Å; P152-M155 VanDerWaalsContact O-CB 3.28Å; P152-M155 WeakPolarHBondContact O-CB 3.43Å; P152-M155 PolarHBondContact O-N 3.41Å; P152-L180 HydrophobicContact CB-CD1 4.32Å; P152-L180 HydrophobicContact CB-CD2 3.73Å; P152-L180 HydrophobicContact CG-CD2 4.23Å |
| 153 | Q | 91.9 | Very high | 93.4 | Very high | 184 Ų | 184 | 56.5 Ų | 56.5 | 86% | 0.86 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -58.3 | -31.3 | -176.8 | -61.5 | 175.8 | 5.7 | 0 | 0 | 113.8 | K151 | K151-Q153 PolarHBondContact O-N 3.21Å; K151-Q153 VanDerWaalsContact O-N 3.14Å |
| 154 | K | 92.8 | Very high | 93.3 | Very high | 78 Ų | 78 | 60.3 Ų | 60.3 | 34% | 0.339 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -89.5 | -11.7 | 179.2 | -68.1 | -167.1 | 178.8 | -169.1 | 0 | 113.2 | E127 Y147 K151 P152 L156 H158 | E127-K154 IonicContact OE1-NZ 2.68Å; E127-K154 PolarHBondContact OE1-NZ 3.27Å; E127-K154 IonicContact OE2-NZ 3.15Å; Y147-K154 HydrophobicContact CD1-CB 4.42Å; Y147-K154 HydrophobicContact CE1-CB 4.25Å; Y147-K154 HydrophobicContact CE1-CD 4.1Å; Y147-K154 HydrophobicContact CE2-CB 4.4Å; K151-K154 HydrophobicContact CD-CD 4.47Å; K151-K154 PolarHBondContact O-N 3.42Å; K151-K154 VanDerWaalsContact O-N 3.16Å; P152-K154 PolarHBondContact O-N 2.72Å; P152-K154 VanDerWaalsContact O-N 3.15Å; K154-L156 PolarHBondContact O-N 3.49Å; K154-H158 PolarHBondContact O-N 3.42Å; K154-H158 VanDerWaalsContact O-N 3.14Å |
| 155 | M | 93.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.8 | -44.1 | -170.3 | -174.7 | 166.3 | 170.9 | 0 | 0 | 111.7 | S148 P152 H158 L159 V171 A175 L180 E183 | S148-M155 VanDerWaalsContact CA-SD 3.53Å; S148-M155 VanDerWaalsContact CB-SD 3.51Å; P152-M155 VanDerWaalsContact O-CB 3.28Å; P152-M155 WeakPolarHBondContact O-CB 3.43Å; P152-M155 PolarHBondContact O-N 3.41Å; M155-H158 PolarHBondContact O-N 3.42Å; M155-L159 HydrophobicContact CE-CD1 3.98Å; M155-L159 HydrophobicContact CG-CD1 4.09Å; M155-L159 HydrophobicContact CG-CG 4.41Å; M155-L159 WeakPolarHBondContact O-CG 3.43Å; M155-L159 PolarHBondContact O-N 3.34Å; M155-V171 HydrophobicContact CE-CG1 4.01Å; M155-A175 HydrophobicContact CE-CB 3.8Å; M155-L180 HydrophobicContact CE-CD1 4.35Å; M155-L180 HydrophobicContact SD-CD1 3.22Å; M155-L180 WeakPolarHBondContact SD-CD1 3.45Å; M155-E183 HydrophobicContact CB-CG 4.19Å; M155-E183 HydrophobicContact CE-CB 4.39Å; M155-E183 HydrophobicContact CG-CG 4Å; M155-E183 HydrophobicContact SD-CG 4.46Å |
| 156 | L | 90.9 | Very high | 93.2 | Very high | 44 Ų | 44 | 64.5 Ų | 64.5 | 23% | 0.23 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 179.8 | -168.7 | 131.8 | 0 | 0 | 0 | 112.1 | K154 H158 L159 E160 A182 E183 | K154-L156 PolarHBondContact O-N 3.49Å; L156-H158 VanDerWaalsContact C-N 3.29Å; L156-H158 PolarHBondContact O-N 3.21Å; L156-L159 PolarHBondContact O-N 3.24Å; L156-L159 VanDerWaalsContact O-N 3.16Å; L156-E160 HydrophobicContact CD2-CG 4.22Å; L156-E160 WeakPolarHBondContact CD2-OE1 3.48Å; L156-E160 WeakPolarHBondContact O-CG 3.39Å; L156-E160 PolarHBondContact O-N 2.96Å; L156-A182 HydrophobicContact CD1-CB 4.4Å; L156-E183 HydrophobicContact CB-CG 3.92Å; L156-E183 HydrophobicContact CD1-CG 4.27Å |
| 157 | E | 93.2 | Very high | 93.2 | Very high | 124 Ų | 124 | 67.5 Ų | 67.5 | 58% | 0.579 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -58.5 | -41.2 | 177.6 | -63.5 | -178.8 | 172 | 0 | 0 | 111.9 | L161 | E157-L161 WeakPolarHBondContact O-CG 3.38Å; E157-L161 PolarHBondContact O-N 2.9Å |
| 158 | H | 94.3 | Very high | 93.2 | Very high | 9 Ų | 9 | 67.9 Ų | 67.9 | 4% | 0.042 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 176.6 | 177.2 | 79.5 | 0 | 0 | 0 | 112.1 | F140 Y147 K154 M155 L156 L161 F162 | F140-H158 PolarHBondContact O-NE2 2.9Å; Y147-H158 HydrophobicContact CD2-CB 3.85Å; Y147-H158 AromaticContact CD2-CG 3.94Å; Y147-H158 HydrophobicContact CE2-CB 3.71Å; Y147-H158 AromaticContact CE2-CG 3.78Å; Y147-H158 AromaticContact CE2-ND1 3.88Å; K154-H158 PolarHBondContact O-N 3.42Å; K154-H158 VanDerWaalsContact O-N 3.14Å; M155-H158 PolarHBondContact O-N 3.42Å; L156-H158 VanDerWaalsContact C-N 3.29Å; L156-H158 PolarHBondContact O-N 3.21Å; H158-L161 PolarHBondContact O-N 3Å; H158-F162 AromaticContact CE1-CD2 3.86Å; H158-F162 AromaticContact ND1-CD2 3.52Å; H158-F162 WeakPolarHBondContact O-CB 3.31Å; H158-F162 WeakPolarHBondContact O-CD2 3.12Å; H158-F162 PolarHBondContact O-N 3.16Å |
| 159 | L | 94.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -68.7 | -40.2 | 179.6 | -66.5 | 178.9 | 0 | 0 | 0 | 111.8 | A144 M155 L156 L161 F162 W163 V171 E183 F186 L187 | A144-L159 HydrophobicContact CB-CD2 4.41Å; M155-L159 HydrophobicContact CE-CD1 3.98Å; M155-L159 HydrophobicContact CG-CD1 4.09Å; M155-L159 HydrophobicContact CG-CG 4.41Å; M155-L159 WeakPolarHBondContact O-CG 3.43Å; M155-L159 PolarHBondContact O-N 3.34Å; L156-L159 PolarHBondContact O-N 3.24Å; L156-L159 VanDerWaalsContact O-N 3.16Å; L159-L161 VanDerWaalsContact C-N 3.26Å; L159-L161 PolarHBondContact O-N 3.35Å; L159-F162 PolarHBondContact O-N 2.98Å; L159-W163 WeakPolarHBondContact O-CB 3.22Å; L159-W163 PolarHBondContact O-N 3.19Å; L159-V171 HydrophobicContact CD2-CG1 4.34Å; L159-E183 HydrophobicContact CD1-CB 3.97Å; L159-E183 HydrophobicContact CD1-CG 4.4Å; L159-F186 HydrophobicContact CB-CD1 4.04Å; L159-F186 HydrophobicContact CB-CE1 3.94Å; L159-L187 HydrophobicContact CD1-CD1 3.99Å; L159-L187 HydrophobicContact CD1-CD2 4.02Å; L159-L187 HydrophobicContact CD1-CG 3.91Å; L159-L187 HydrophobicContact CD2-CD2 4Å |
| 160 | E | 93.1 | Very high | 93.3 | Very high | 105 Ų | 105 | 68.4 Ų | 68.4 | 49% | 0.491 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -58.6 | -39.3 | 176.9 | -76 | -174.7 | 163.1 | 0 | 0 | 112.3 | L156 F186 | L156-E160 HydrophobicContact CD2-CG 4.22Å; L156-E160 WeakPolarHBondContact CD2-OE1 3.48Å; L156-E160 WeakPolarHBondContact O-CG 3.39Å; L156-E160 PolarHBondContact O-N 2.96Å; E160-F186 HydrophobicContact CG-CE2 4.13Å; E160-F186 HydrophobicContact CG-CZ 4.16Å |
| 161 | L | 93.3 | Very high | 93.5 | Very high | 126 Ų | 126 | 64.6 Ų | 64.6 | 66% | 0.66 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -80.9 | -37.9 | 180 | -66.1 | 173.9 | 0 | 0 | 0 | 113.4 | E157 H158 L159 | E157-L161 WeakPolarHBondContact O-CG 3.38Å; E157-L161 PolarHBondContact O-N 2.9Å; H158-L161 PolarHBondContact O-N 3Å; L159-L161 VanDerWaalsContact C-N 3.26Å; L159-L161 PolarHBondContact O-N 3.35Å |
| 162 | F | 94.2 | Very high | 93.5 | Very high | 58 Ų | 58 | 63 Ų | 63 | 25% | 0.254 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -121.7 | 9.4 | -164.1 | -55.7 | -63.2 | 0 | 0 | 0 | 115.8 | L130 F140 H158 L159 S164 R165 V166 | L130-F162 HydrophobicContact CD2-CD2 4.06Å; L130-F162 HydrophobicContact CD2-CE2 3.76Å; L130-F162 HydrophobicContact CD2-CZ 4.15Å; F140-F162 HydrophobicContact CD1-CB 3.7Å; F140-F162 AromaticContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD1 3.92Å; F140-F162 HydrophobicContact CD1-CD2 4.17Å; F140-F162 AromaticContact CD1-CG 3.66Å; F140-F162 HydrophobicContact CD1-CG 3.66Å; F140-F162 HydrophobicContact CE1-CB 4.22Å; F140-F162 AromaticContact CE1-CD1 3.52Å; F140-F162 HydrophobicContact CE1-CD1 3.52Å; F140-F162 HydrophobicContact CE1-CD2 4.32Å; F140-F162 AromaticContact CE1-CE1 3.89Å; F140-F162 HydrophobicContact CE1-CE1 3.89Å; F140-F162 AromaticContact CE1-CG 3.76Å; F140-F162 HydrophobicContact CE1-CG 3.76Å; F140-F162 HydrophobicContact CE1-CZ 4.44Å; H158-F162 AromaticContact CE1-CD2 3.86Å; H158-F162 AromaticContact ND1-CD2 3.52Å; H158-F162 WeakPolarHBondContact O-CB 3.31Å; H158-F162 WeakPolarHBondContact O-CD2 3.12Å; H158-F162 PolarHBondContact O-N 3.16Å; L159-F162 PolarHBondContact O-N 2.98Å; F162-S164 PolarHBondContact O-N 3.2Å; F162-R165 PolarHBondContact O-N 3.16Å; F162-V166 WeakPolarHBondContact O-CG2 3.44Å |
| 163 | W | 92.7 | Very high | 93.6 | Very high | 101 Ų | 101 | 68.9 Ų | 68.9 | 38% | 0.383 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -51.3 | -33 | -178.2 | 64.2 | -86.8 | 0 | 0 | 0 | 114.7 | L159 R165 F186 K190 | L159-W163 WeakPolarHBondContact O-CB 3.22Å; L159-W163 PolarHBondContact O-N 3.19Å; W163-R165 VanDerWaalsContact C-N 3.26Å; W163-R165 PolarHBondContact O-N 3.2Å; W163-F186 HydrophobicContact CB-CE1 4.15Å; W163-F186 HydrophobicContact CG-CE1 4.47Å; W163-F186 HydrophobicContact CG-CZ 4.49Å; W163-K190 HydrophobicContact CD2-CB 4.48Å; W163-K190 HydrophobicContact CD2-CD 4.16Å; W163-K190 HydrophobicContact CD2-CG 4.14Å; W163-K190 HydrophobicContact CE3-CB 4.05Å; W163-K190 HydrophobicContact CE3-CD 4.29Å; W163-K190 HydrophobicContact CE3-CG 4.2Å; W163-K190 HydrophobicContact CG-CG 4.35Å; W163-K190 HydrophobicContact CZ2-CD 4.43Å; W163-K190 HydrophobicContact CZ3-CB 4.49Å; W163-K190 HydrophobicContact CZ3-CD 4.47Å |
| 164 | S | 93 | Very high | 93.7 | Very high | 81 Ų | 81 | 60.5 Ų | 60.5 | 57% | 0.566 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -71.7 | -16.6 | -179.6 | 63.4 | 0 | 0 | 0 | 0 | 114.3 | F162 | F162-S164 PolarHBondContact O-N 3.2Š|
| 165 | R | 92.9 | Very high | 93.8 | Very high | 102 Ų | 102 | 56.8 Ų | 56.8 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -113 | 18.1 | -176.9 | -61.2 | -178.9 | 69.4 | -174.3 | 3.1 | 112.6 | A135 M137 F140 F162 W163 | A135-R165 PolarHBondContact O-NH2 2.95Å; M137-R165 WeakPolarHBondContact CA-O 3.49Å; M137-R165 VanDerWaalsContact CG-O 3.29Å; M137-R165 WeakPolarHBondContact CG-O 3.4Å; F140-R165 HydrophobicContact CD2-CB 4.06Å; F140-R165 HydrophobicContact CE2-CB 4.34Å; F140-R165 VanDerWaalsContact CE2-CZ 3.4Å; F140-R165 HydrophobicContact CG-CB 4.34Å; F140-R165 VanDerWaalsContact CZ-CZ 3.46Å; F140-R165 VanDerWaalsContact CZ-NH1 3.35Å; F162-R165 PolarHBondContact O-N 3.16Å; W163-R165 VanDerWaalsContact C-N 3.26Å; W163-R165 PolarHBondContact O-N 3.2Å |
| 166 | V | 94.8 | Very high | 93.8 | Very high | 8 Ų | 8 | 61.7 Ų | 61.7 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -118.6 | 148 | -175.7 | 170.2 | 0 | 0 | 0 | 0 | 110.1 | F140 F162 I168 V171 | F140-V166 HydrophobicContact CB-CG2 3.51Å; F162-V166 WeakPolarHBondContact O-CG2 3.44Å; V166-I168 PolarHBondContact O-N 3.32Å; V166-I168 VanDerWaalsContact O-N 3.17Å; V166-V171 HydrophobicContact CG1-CB 4.25Å; V166-V171 HydrophobicContact CG1-CG2 3.38Å |
| 167 | N | 94.6 | Very high | 93.9 | Very high | 66 Ų | 66 | 66.4 Ų | 66.4 | 35% | 0.353 | 31% | 0.313 | S | S | . | . | trans | -77.9 | 94.7 | 167.7 | -176.6 | -29.2 | 0 | 0 | 0 | 110 | M137 T141 P169 K170 V171 | M137-N167 HydrophobicContact SD-CB 4.34Å; T141-N167 HydrophobicContact CG2-CB 3.81Å; T141-N167 PolarHBondContact OG1-N 3.34Å; N167-P169 VanDerWaalsContact OD1-CD 3.3Å; N167-P169 WeakPolarHBondContact OD1-CD 3.36Å; N167-K170 HydrophobicContact CB-CB 4.29Å; N167-K170 PolarHBondContact O-N 2.75Å; N167-K170 PolarHBondContact OD1-N 3.1Å; N167-V171 PolarHBondContact O-N 3.36Å | ||
| 168 | I | 93.6 | Very high | 93.9 | Very high | 22 Ų | 22 | 62 Ų | 62 | 11% | 0.113 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -57 | -49.6 | -174.4 | -61.2 | 167.1 | 0 | 0 | 0 | 112.6 | V166 K170 V171 L172 L187 Y191 | V166-I168 PolarHBondContact O-N 3.32Å; V166-I168 VanDerWaalsContact O-N 3.17Å; I168-K170 VanDerWaalsContact C-N 3.29Å; I168-K170 PolarHBondContact O-N 2.99Å; I168-V171 PolarHBondContact O-N 3.46Å; I168-V171 VanDerWaalsContact O-N 3.14Å; I168-L172 HydrophobicContact CG2-CD1 3.74Å; I168-L172 HydrophobicContact CG2-CG 3.98Å; I168-L172 WeakPolarHBondContact O-CB 3.29Å; I168-L172 WeakPolarHBondContact O-CG 3.44Å; I168-L172 PolarHBondContact O-N 3.31Å; I168-L187 HydrophobicContact CG2-CB 4.48Å; I168-L187 HydrophobicContact CG2-CD2 4.36Å; I168-Y191 HydrophobicContact CB-CD2 3.91Å; I168-Y191 HydrophobicContact CB-CE2 4.38Å; I168-Y191 HydrophobicContact CD1-CD2 3.91Å; I168-Y191 HydrophobicContact CG2-CD2 3.72Å; I168-Y191 HydrophobicContact CG2-CE2 4.48Å; I168-Y191 HydrophobicContact CG2-CG 3.83Å |
| 169 | P | 95.4 | Very high | 93.8 | Very high | 51 Ų | 51 | 67 Ų | 67 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.7 | -37.7 | 178.7 | -28.9 | 34.9 | 0 | 0 | 0 | 114.7 | N167 R173 Y191 | N167-P169 VanDerWaalsContact OD1-CD 3.3Å; N167-P169 WeakPolarHBondContact OD1-CD 3.36Å; P169-R173 PolarHBondContact O-N 3.15Å; P169-Y191 HydrophobicContact CG-CE2 4.14Å |
| 170 | K | 94.6 | Very high | 93.8 | Very high | 97 Ų | 97 | 68 Ų | 68 | 42% | 0.422 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -69.3 | -41.9 | 178.8 | -166.2 | 179.6 | -179.4 | -178.1 | 0 | 111 | T141 E142 I145 N167 I168 A174 | T141-K170 HydrophobicContact CG2-CB 4.19Å; T141-K170 HydrophobicContact CG2-CD 3.94Å; T141-K170 HydrophobicContact CG2-CG 4.4Å; E142-K170 IonicContact OE1-NZ 2.72Å; E142-K170 PolarHBondContact OE1-NZ 3.49Å; I145-K170 HydrophobicContact CD1-CD 3.97Å; I145-K170 HydrophobicContact CD1-CG 4.06Å; N167-K170 HydrophobicContact CB-CB 4.29Å; N167-K170 PolarHBondContact O-N 2.75Å; N167-K170 PolarHBondContact OD1-N 3.1Å; I168-K170 VanDerWaalsContact C-N 3.29Å; I168-K170 PolarHBondContact O-N 2.99Å; K170-A174 PolarHBondContact O-N 3.07Å |
| 171 | V | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.6 | -36.4 | 179 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | T141 A144 M155 L159 V166 N167 I168 R173 A174 A175 L187 | T141-V171 HydrophobicContact CG2-CG2 3.9Å; A144-V171 HydrophobicContact CB-CG1 3.92Å; A144-V171 HydrophobicContact CB-CG2 3.88Å; M155-V171 HydrophobicContact CE-CG1 4.01Å; L159-V171 HydrophobicContact CD2-CG1 4.34Å; V166-V171 HydrophobicContact CG1-CB 4.25Å; V166-V171 HydrophobicContact CG1-CG2 3.38Å; N167-V171 PolarHBondContact O-N 3.36Å; I168-V171 PolarHBondContact O-N 3.46Å; I168-V171 VanDerWaalsContact O-N 3.14Å; V171-R173 VanDerWaalsContact C-N 3.34Å; V171-R173 PolarHBondContact O-N 2.99Å; V171-A174 CarbonylContact O-C 3.56Å; V171-A174 PolarHBondContact O-N 3.48Å; V171-A175 WeakPolarHBondContact O-CB 3.46Å; V171-A175 PolarHBondContact O-N 3.33Å; V171-L187 HydrophobicContact CB-CD1 4.36Å; V171-L187 HydrophobicContact CG1-CD1 3.76Å |
| 172 | L | 94.5 | Very high | 93.8 | Very high | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.073 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.5 | -48.7 | 175 | -82.8 | 170.9 | 0 | 0 | 0 | 111.7 | I168 A174 A175 E176 L184 L187 Y188 Y191 | I168-L172 HydrophobicContact CG2-CD1 3.74Å; I168-L172 HydrophobicContact CG2-CG 3.98Å; I168-L172 WeakPolarHBondContact O-CB 3.29Å; I168-L172 WeakPolarHBondContact O-CG 3.44Å; I168-L172 PolarHBondContact O-N 3.31Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.41Å; L172-A175 PolarHBondContact O-N 3.37Å; L172-E176 WeakPolarHBondContact O-CB 3.3Å; L172-E176 PolarHBondContact O-N 3.11Å; L172-L184 HydrophobicContact CD2-CD2 4.4Å; L172-L184 HydrophobicContact CD2-CG 4.39Å; L172-L187 HydrophobicContact CD2-CB 3.48Å; L172-L187 VanDerWaalsContact CD2-CB 3.48Å; L172-L187 HydrophobicContact CD2-CD1 4.02Å; L172-L187 HydrophobicContact CD2-CG 4.41Å; L172-L187 HydrophobicContact CG-CB 4.12Å; L172-L187 HydrophobicContact CG-CD1 4.31Å; L172-Y188 HydrophobicContact CD1-CD1 4.08Å; L172-Y188 HydrophobicContact CD1-CE1 3.92Å; L172-Y188 HydrophobicContact CD2-CD1 3.79Å; L172-Y188 HydrophobicContact CD2-CE1 3.7Å; L172-Y188 HydrophobicContact CD2-CG 4.32Å; L172-Y188 HydrophobicContact CG-CE1 4.42Å; L172-Y191 HydrophobicContact CD1-CD1 4.31Å |
| 173 | R | 94.1 | Very high | 93.7 | Very high | 176 Ų | 176 | 58.5 Ų | 58.5 | 66% | 0.664 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -60.7 | -39.2 | 176.6 | -65.3 | -178.3 | -166.2 | 177 | 3.9 | 112.4 | P169 V171 Q177 | P169-R173 PolarHBondContact O-N 3.15Å; V171-R173 VanDerWaalsContact C-N 3.34Å; V171-R173 PolarHBondContact O-N 2.99Å; R173-Q177 WeakPolarHBondContact O-CB 3.21Å; R173-Q177 WeakPolarHBondContact O-CG 3.47Å; R173-Q177 PolarHBondContact O-N 2.93Å; R173-Q177 VanDerWaalsContact O-N 3.11Å |
| 174 | A | 94.2 | Very high | 93.8 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.5 | -34.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I145 S148 K170 V171 L172 A178 | I145-A174 HydrophobicContact CB-CB 4.43Å; I145-A174 HydrophobicContact CG1-CB 3.91Å; I145-A174 HydrophobicContact CG2-CB 4.29Å; S148-A174 PolarHBondContact OG-O 3.32Å; K170-A174 PolarHBondContact O-N 3.07Å; V171-A174 CarbonylContact O-C 3.56Å; V171-A174 PolarHBondContact O-N 3.48Å; L172-A174 VanDerWaalsContact C-N 3.29Å; L172-A174 PolarHBondContact O-N 3.41Å; A174-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 2.66Å |
| 175 | A | 94 | Very high | 93.9 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -71.3 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | M155 V171 L172 A178 H179 L180 L184 L187 | M155-A175 HydrophobicContact CE-CB 3.8Å; V171-A175 WeakPolarHBondContact O-CB 3.46Å; V171-A175 PolarHBondContact O-N 3.33Å; L172-A175 PolarHBondContact O-N 3.37Å; A175-A178 CarbonylContact O-C 3.48Å; A175-A178 PolarHBondContact O-N 3.16Å; A175-A178 VanDerWaalsContact O-N 3.16Å; A175-H179 PolarHBondContact O-N 3.5Å; A175-L180 PolarHBondContact O-N 3.34Å; A175-L180 VanDerWaalsContact O-N 3.16Å; A175-L184 HydrophobicContact CB-CB 4.37Å; A175-L184 HydrophobicContact CB-CG 4.42Å; A175-L187 HydrophobicContact CB-CD1 4.42Å |
| 176 | E | 92.6 | Very high | 93.9 | Very high | 104 Ų | 104 | 46.5 Ų | 46.5 | 49% | 0.486 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.2 | -43.9 | 175.8 | -171.3 | 178.4 | -166.9 | 0 | 0 | 111.4 | L172 A178 H179 L184 | L172-E176 WeakPolarHBondContact O-CB 3.3Å; L172-E176 PolarHBondContact O-N 3.11Å; E176-A178 PolarHBondContact O-N 3.15Å; E176-H179 PolarHBondContact O-N 2.98Å; E176-H179 PolarHBondContact O-ND1 3.45Å; E176-L184 HydrophobicContact CB-CD1 3.9Å; E176-L184 HydrophobicContact CG-CD1 4.38Å |
| 177 | Q | 93.6 | Very high | 93.9 | Very high | 142 Ų | 142 | 46.1 Ų | 46.1 | 66% | 0.664 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -63.7 | -28.3 | 173.8 | -73.6 | 170 | 20.3 | 0 | 0 | 113.3 | R173 | R173-Q177 WeakPolarHBondContact O-CB 3.21Å; R173-Q177 WeakPolarHBondContact O-CG 3.47Å; R173-Q177 PolarHBondContact O-N 2.93Å; R173-Q177 VanDerWaalsContact O-N 3.11Å |
| 178 | A | 93.3 | Very high | 93.9 | Very high | 31 Ų | 31 | 44.2 Ų | 44.2 | 26% | 0.256 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -2.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S148 A174 A175 E176 L180 | S148-A178 VanDerWaalsContact O-CB 3.29Å; S148-A178 WeakPolarHBondContact O-CB 3.49Å; A174-A178 WeakPolarHBondContact O-CB 3.38Å; A174-A178 PolarHBondContact O-N 2.66Å; A175-A178 CarbonylContact O-C 3.48Å; A175-A178 PolarHBondContact O-N 3.16Å; A175-A178 VanDerWaalsContact O-N 3.16Å; E176-A178 PolarHBondContact O-N 3.15Å; A178-L180 VanDerWaalsContact C-N 3.28Å; A178-L180 HydrophobicContact CB-CD1 3.91Å; A178-L180 HydrophobicContact CB-CG 3.87Å; A178-L180 PolarHBondContact O-N 3.04Å |
| 179 | H | 92.9 | Very high | 93.9 | Very high | 115 Ų | 115 | 44.5 Ų | 44.5 | 53% | 0.532 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 39.1 | -176.9 | -57.1 | -49.7 | 0 | 0 | 0 | 114.2 | A175 E176 W181 | A175-H179 PolarHBondContact O-N 3.5Å; E176-H179 PolarHBondContact O-N 2.98Å; E176-H179 PolarHBondContact O-ND1 3.45Å; H179-W181 HydrophobicContact CB-CH2 4.5Å; H179-W181 HydrophobicContact CB-CZ2 3.72Å; H179-W181 AromaticContact CG-CZ2 3.79Å; H179-W181 AromaticContact ND1-CH2 3.49Å; H179-W181 WeakPolarHBondContact ND1-CH2 3.22Å; H179-W181 AromaticContact ND1-CZ2 3.28Å; H179-W181 VanDerWaalsContact ND1-CZ2 3.28Å; H179-W181 WeakPolarHBondContact ND1-CZ2 3.13Å; H179-W181 PolarHBondContact O-N 3.38Å; H179-W181 PolarHBondContact O-NE1 2.99Å |
| 180 | L | 93.7 | Very high | 93.8 | Very high | 22 Ų | 22 | 45.7 Ų | 45.7 | 12% | 0.115 | 21% | 0.213 | C | C | . | . | trans | -92.9 | 75.5 | -179.7 | -63.6 | 178.5 | 0 | 0 | 0 | 110.8 | P152 M155 A175 A178 A182 E183 L184 | P152-L180 HydrophobicContact CB-CD1 4.32Å; P152-L180 HydrophobicContact CB-CD2 3.73Å; P152-L180 HydrophobicContact CG-CD2 4.23Å; M155-L180 HydrophobicContact CE-CD1 4.35Å; M155-L180 HydrophobicContact SD-CD1 3.22Å; M155-L180 WeakPolarHBondContact SD-CD1 3.45Å; A175-L180 PolarHBondContact O-N 3.34Å; A175-L180 VanDerWaalsContact O-N 3.16Å; A178-L180 VanDerWaalsContact C-N 3.28Å; A178-L180 HydrophobicContact CB-CD1 3.91Å; A178-L180 HydrophobicContact CB-CG 3.87Å; A178-L180 PolarHBondContact O-N 3.04Å; L180-A182 PolarHBondContact O-N 3.44Å; L180-E183 HydrophobicContact CB-CB 4.32Å; L180-E183 WeakPolarHBondContact CB-OE2 3.34Å; L180-E183 PolarHBondContact O-N 2.96Å; L180-L184 WeakPolarHBondContact O-CB 3.28Å; L180-L184 PolarHBondContact O-N 3Å | ||
| 181 | W | 94.1 | Very high | 93.8 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 15% | 0.148 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.2 | -34 | -166.2 | -51.1 | 116.6 | 0 | 0 | 0 | 114.2 | H179 L184 V185 T200 H204 E207 A208 | H179-W181 HydrophobicContact CB-CH2 4.5Å; H179-W181 HydrophobicContact CB-CZ2 3.72Å; H179-W181 AromaticContact CG-CZ2 3.79Å; H179-W181 AromaticContact ND1-CH2 3.49Å; H179-W181 WeakPolarHBondContact ND1-CH2 3.22Å; H179-W181 AromaticContact ND1-CZ2 3.28Å; H179-W181 VanDerWaalsContact ND1-CZ2 3.28Å; H179-W181 WeakPolarHBondContact ND1-CZ2 3.13Å; H179-W181 PolarHBondContact O-N 3.38Å; H179-W181 PolarHBondContact O-NE1 2.99Å; W181-L184 HydrophobicContact CE3-CD1 3.91Å; W181-L184 HydrophobicContact CZ3-CD1 3.95Å; W181-L184 PolarHBondContact O-N 2.95Å; W181-V185 WeakPolarHBondContact O-CB 3.41Å; W181-V185 VanDerWaalsContact O-CG2 3.31Å; W181-V185 WeakPolarHBondContact O-CG2 3.48Å; W181-V185 PolarHBondContact O-N 3.28Å; W181-T200 HydrophobicContact CB-CG2 4.26Å; W181-T200 HydrophobicContact CD2-CG2 4.38Å; W181-T200 HydrophobicContact CE3-CG2 3.65Å; W181-T200 HydrophobicContact CZ3-CG2 4.42Å; W181-H204 HydrophobicContact CB-CB 4.19Å; W181-H204 AromaticContact CD1-CG 3.68Å; W181-H204 HydrophobicContact CD2-CB 4.3Å; W181-H204 AromaticContact CD2-CD2 3.34Å; W181-H204 AromaticContact CD2-CG 3.71Å; W181-H204 AromaticContact CD2-NE2 3.86Å; W181-H204 AromaticContact CE2-CD2 3.46Å; W181-H204 VanDerWaalsContact CE2-CD2 3.46Å; W181-H204 AromaticContact CE2-CE1 3.69Å; W181-H204 AromaticContact CE2-CG 3.67Å; W181-H204 AromaticContact CE2-ND1 3.79Å; W181-H204 AromaticContact CE2-NE2 3.54Å; W181-H204 AromaticContact CE3-CD2 3.59Å; W181-H204 HydrophobicContact CG-CB 3.83Å; W181-H204 AromaticContact CG-CD2 3.82Å; W181-H204 AromaticContact CG-CG 3.74Å; W181-H204 AromaticContact CH2-NE2 3.56Å; W181-H204 AromaticContact CZ2-CD2 3.83Å; W181-H204 AromaticContact CZ2-CE1 3.61Å; W181-H204 AromaticContact CZ2-NE2 3.4Å; W181-H204 WeakPolarHBondContact CZ2-NE2 3.24Å; W181-H204 AromaticContact CZ3-CD2 3.93Å; W181-H204 AromaticContact CZ3-NE2 3.87Å; W181-H204 AromaticContact NE1-CD2 3.94Å; W181-H204 AromaticContact NE1-CE1 3.95Å; W181-H204 AromaticContact NE1-CG 3.64Å; W181-H204 AromaticContact NE1-ND1 3.65Å; W181-E207 VanDerWaalsContact CD1-OE2 3.25Å; W181-A208 HydrophobicContact CB-CB 3.87Å |
| 182 | A | 91.6 | Very high | 93.7 | Very high | 26 Ų | 26 | 52.7 Ų | 52.7 | 22% | 0.215 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.7 | -44.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.5 | L156 L180 F186 | L156-A182 HydrophobicContact CD1-CB 4.4Å; L180-A182 PolarHBondContact O-N 3.44Å; A182-F186 PolarHBondContact O-N 2.95Å; A182-F186 VanDerWaalsContact O-N 3.16Å |
| 183 | E | 93.1 | Very high | 93.7 | Very high | 24 Ų | 24 | 55.3 Ų | 55.3 | 11% | 0.112 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -68.3 | -40 | 176.1 | -65.9 | 78.8 | -176.6 | 0 | 0 | 111.4 | M155 L156 L159 L180 F186 L187 | M155-E183 HydrophobicContact CB-CG 4.19Å; M155-E183 HydrophobicContact CE-CB 4.39Å; M155-E183 HydrophobicContact CG-CG 4Å; M155-E183 HydrophobicContact SD-CG 4.46Å; L156-E183 HydrophobicContact CB-CG 3.92Å; L156-E183 HydrophobicContact CD1-CG 4.27Å; L159-E183 HydrophobicContact CD1-CB 3.97Å; L159-E183 HydrophobicContact CD1-CG 4.4Å; L180-E183 HydrophobicContact CB-CB 4.32Å; L180-E183 WeakPolarHBondContact CB-OE2 3.34Å; L180-E183 PolarHBondContact O-N 2.96Å; E183-F186 WeakPolarHBondContact O-CB 3.42Å; E183-F186 PolarHBondContact O-N 3.21Å; E183-L187 WeakPolarHBondContact O-CG 3.38Å; E183-L187 PolarHBondContact O-N 2.88Å |
| 184 | L | 94.3 | Very high | 93.7 | Very high | 1 Ų | 1 | 48.7 Ų | 48.7 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.7 | -44 | 179.5 | -163.7 | 167.1 | 0 | 0 | 0 | 110.9 | L172 A175 E176 L180 W181 F186 L187 Y188 T200 | L172-L184 HydrophobicContact CD2-CD2 4.4Å; L172-L184 HydrophobicContact CD2-CG 4.39Å; A175-L184 HydrophobicContact CB-CB 4.37Å; A175-L184 HydrophobicContact CB-CG 4.42Å; E176-L184 HydrophobicContact CB-CD1 3.9Å; E176-L184 HydrophobicContact CG-CD1 4.38Å; L180-L184 WeakPolarHBondContact O-CB 3.28Å; L180-L184 PolarHBondContact O-N 3Å; W181-L184 HydrophobicContact CE3-CD1 3.91Å; W181-L184 HydrophobicContact CZ3-CD1 3.95Å; W181-L184 PolarHBondContact O-N 2.95Å; L184-F186 VanDerWaalsContact C-N 3.32Å; L184-F186 PolarHBondContact O-N 3.16Å; L184-L187 WeakPolarHBondContact O-CB 3.38Å; L184-L187 PolarHBondContact O-N 3.44Å; L184-Y188 HydrophobicContact CD2-CD2 3.29Å; L184-Y188 HydrophobicContact CD2-CE1 4.48Å; L184-Y188 HydrophobicContact CD2-CE2 2.91Å; L184-Y188 HydrophobicContact CD2-CG 4.23Å; L184-Y188 HydrophobicContact CG-CE2 4.32Å; L184-Y188 PolarHBondContact O-N 3.36Å; L184-T200 HydrophobicContact CD2-CG2 4.29Å |
| 185 | V | 94.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 172.8 | 163 | 0 | 0 | 0 | 0 | 112.1 | W181 L187 Y188 D189 T200 M201 A208 | W181-V185 WeakPolarHBondContact O-CB 3.41Å; W181-V185 VanDerWaalsContact O-CG2 3.31Å; W181-V185 WeakPolarHBondContact O-CG2 3.48Å; W181-V185 PolarHBondContact O-N 3.28Å; V185-L187 VanDerWaalsContact C-N 3.34Å; V185-Y188 PolarHBondContact O-N 2.92Å; V185-D189 PolarHBondContact O-N 3.23Å; V185-T200 HydrophobicContact CG2-CG2 3.77Å; V185-M201 HydrophobicContact CG1-CE 3.28Å; V185-M201 HydrophobicContact CG1-CG 4.06Å; V185-M201 HydrophobicContact CG1-SD 4.34Å; V185-M201 HydrophobicContact CG2-CG 3.84Å; V185-A208 HydrophobicContact CG2-CB 3.9Å |
| 186 | F | 93.8 | Very high | 93.6 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 13% | 0.127 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -43.7 | 174.1 | 175.5 | -93.4 | 0 | 0 | 0 | 111.7 | L159 E160 W163 A182 E183 L184 D189 K190 | L159-F186 HydrophobicContact CB-CD1 4.04Å; L159-F186 HydrophobicContact CB-CE1 3.94Å; E160-F186 HydrophobicContact CG-CE2 4.13Å; E160-F186 HydrophobicContact CG-CZ 4.16Å; W163-F186 HydrophobicContact CB-CE1 4.15Å; W163-F186 HydrophobicContact CG-CE1 4.47Å; W163-F186 HydrophobicContact CG-CZ 4.49Å; A182-F186 PolarHBondContact O-N 2.95Å; A182-F186 VanDerWaalsContact O-N 3.16Å; E183-F186 WeakPolarHBondContact O-CB 3.42Å; E183-F186 PolarHBondContact O-N 3.21Å; L184-F186 VanDerWaalsContact C-N 3.32Å; L184-F186 PolarHBondContact O-N 3.16Å; F186-D189 PolarHBondContact O-N 3.4Å; F186-K190 HydrophobicContact CD1-CG 4.48Å; F186-K190 HydrophobicContact CE1-CG 4.03Å; F186-K190 HydrophobicContact CE2-CG 4.4Å; F186-K190 HydrophobicContact CZ-CD 4.46Å; F186-K190 HydrophobicContact CZ-CG 3.99Å; F186-K190 WeakPolarHBondContact O-CG 3.41Å; F186-K190 PolarHBondContact O-N 3.33Å; F186-K190 VanDerWaalsContact O-N 3.1Å |
| 187 | L | 94.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.6 | -71.4 | 172.8 | 0 | 0 | 0 | 112.1 | L159 I168 V171 L172 A175 E183 L184 V185 K190 Y191 | L159-L187 HydrophobicContact CD1-CD1 3.99Å; L159-L187 HydrophobicContact CD1-CD2 4.02Å; L159-L187 HydrophobicContact CD1-CG 3.91Å; L159-L187 HydrophobicContact CD2-CD2 4Å; I168-L187 HydrophobicContact CG2-CB 4.48Å; I168-L187 HydrophobicContact CG2-CD2 4.36Å; V171-L187 HydrophobicContact CB-CD1 4.36Å; V171-L187 HydrophobicContact CG1-CD1 3.76Å; L172-L187 HydrophobicContact CD2-CB 3.48Å; L172-L187 VanDerWaalsContact CD2-CB 3.48Å; L172-L187 HydrophobicContact CD2-CD1 4.02Å; L172-L187 HydrophobicContact CD2-CG 4.41Å; L172-L187 HydrophobicContact CG-CB 4.12Å; L172-L187 HydrophobicContact CG-CD1 4.31Å; A175-L187 HydrophobicContact CB-CD1 4.42Å; E183-L187 WeakPolarHBondContact O-CG 3.38Å; E183-L187 PolarHBondContact O-N 2.88Å; L184-L187 WeakPolarHBondContact O-CB 3.38Å; L184-L187 PolarHBondContact O-N 3.44Å; V185-L187 VanDerWaalsContact C-N 3.34Å; L187-K190 PolarHBondContact O-N 3.42Å; L187-Y191 VanDerWaalsContact O-CB 3.26Å; L187-Y191 WeakPolarHBondContact O-CB 3.44Å; L187-Y191 PolarHBondContact O-N 2.98Å |
| 188 | Y | 94.8 | Very high | 93.7 | Very high | 27 Ų | 27 | 42 Ų | 42 | 11% | 0.106 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -38.9 | 176.3 | -76.8 | -39.1 | 0 | 0 | 0 | 113 | L172 L184 V185 K190 Y191 E192 E193 N196 A197 | L172-Y188 HydrophobicContact CD1-CD1 4.08Å; L172-Y188 HydrophobicContact CD1-CE1 3.92Å; L172-Y188 HydrophobicContact CD2-CD1 3.79Å; L172-Y188 HydrophobicContact CD2-CE1 3.7Å; L172-Y188 HydrophobicContact CD2-CG 4.32Å; L172-Y188 HydrophobicContact CG-CE1 4.42Å; L184-Y188 HydrophobicContact CD2-CD2 3.29Å; L184-Y188 HydrophobicContact CD2-CE1 4.48Å; L184-Y188 HydrophobicContact CD2-CE2 2.91Å; L184-Y188 HydrophobicContact CD2-CG 4.23Å; L184-Y188 HydrophobicContact CG-CE2 4.32Å; L184-Y188 PolarHBondContact O-N 3.36Å; V185-Y188 PolarHBondContact O-N 2.92Å; Y188-K190 VanDerWaalsContact C-N 3.34Å; Y188-K190 PolarHBondContact O-N 3Å; Y188-Y191 PolarHBondContact O-N 3.37Å; Y188-E192 PolarHBondContact O-N 2.97Å; Y188-E192 VanDerWaalsContact O-N 3.09Å; Y188-E193 HydrophobicContact CD1-CB 3.87Å; Y188-E193 WeakPolarHBondContact CE1-OE2 3.41Å; Y188-E193 PolarHBondContact O-N 3.21Å; Y188-N196 HydrophobicContact CD1-CB 3.96Å; Y188-N196 HydrophobicContact CD2-CB 3.75Å; Y188-N196 HydrophobicContact CE1-CB 3.78Å; Y188-N196 HydrophobicContact CE2-CB 3.48Å; Y188-N196 VanDerWaalsContact CE2-CB 3.48Å; Y188-N196 HydrophobicContact CG-CB 3.99Å; Y188-A197 HydrophobicContact CD2-CB 4.48Å |
| 189 | D | 93.8 | Very high | 93.7 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 15% | 0.15 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 174.4 | 178.2 | 59.1 | 0 | 0 | 0 | 111.5 | V185 F186 E192 I217 K220 | V185-D189 PolarHBondContact O-N 3.23Å; F186-D189 PolarHBondContact O-N 3.4Å; D189-E192 PolarHBondContact O-N 3.15Å; D189-I217 HydrophobicContact CB-CD1 4.31Å; D189-K220 IonicContact OD1-NZ 2.88Å |
| 190 | K | 92.9 | Very high | 93.7 | Very high | 76 Ų | 76 | 39.1 Ų | 39.1 | 33% | 0.33 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -73.3 | -27.8 | 177.2 | -62.4 | -56.6 | 171.6 | -158.3 | 0 | 114.1 | W163 F186 L187 Y188 | W163-K190 HydrophobicContact CD2-CB 4.48Å; W163-K190 HydrophobicContact CD2-CD 4.16Å; W163-K190 HydrophobicContact CD2-CG 4.14Å; W163-K190 HydrophobicContact CE3-CB 4.05Å; W163-K190 HydrophobicContact CE3-CD 4.29Å; W163-K190 HydrophobicContact CE3-CG 4.2Å; W163-K190 HydrophobicContact CG-CG 4.35Å; W163-K190 HydrophobicContact CZ2-CD 4.43Å; W163-K190 HydrophobicContact CZ3-CB 4.49Å; W163-K190 HydrophobicContact CZ3-CD 4.47Å; F186-K190 HydrophobicContact CD1-CG 4.48Å; F186-K190 HydrophobicContact CE1-CG 4.03Å; F186-K190 HydrophobicContact CE2-CG 4.4Å; F186-K190 HydrophobicContact CZ-CD 4.46Å; F186-K190 HydrophobicContact CZ-CG 3.99Å; F186-K190 WeakPolarHBondContact O-CG 3.41Å; F186-K190 PolarHBondContact O-N 3.33Å; F186-K190 VanDerWaalsContact O-N 3.1Å; L187-K190 PolarHBondContact O-N 3.42Å; Y188-K190 VanDerWaalsContact C-N 3.34Å; Y188-K190 PolarHBondContact O-N 3Å |
| 191 | Y | 94.4 | Very high | 93.7 | Very high | 99 Ų | 99 | 38 Ų | 38 | 39% | 0.388 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 1.4 | 176.7 | -158.2 | -120.5 | 0 | 0 | 0 | 113 | I168 P169 L172 L187 Y188 E193 | I168-Y191 HydrophobicContact CB-CD2 3.91Å; I168-Y191 HydrophobicContact CB-CE2 4.38Å; I168-Y191 HydrophobicContact CD1-CD2 3.91Å; I168-Y191 HydrophobicContact CG2-CD2 3.72Å; I168-Y191 HydrophobicContact CG2-CE2 4.48Å; I168-Y191 HydrophobicContact CG2-CG 3.83Å; P169-Y191 HydrophobicContact CG-CE2 4.14Å; L172-Y191 HydrophobicContact CD1-CD1 4.31Å; L187-Y191 VanDerWaalsContact O-CB 3.26Å; L187-Y191 WeakPolarHBondContact O-CB 3.44Å; L187-Y191 PolarHBondContact O-N 2.98Å; Y188-Y191 PolarHBondContact O-N 3.37Å; Y191-E193 HydrophobicContact CD1-CB 4.45Å; Y191-E193 HydrophobicContact CD1-CG 3.68Å; Y191-E193 WeakPolarHBondContact CD1-OE1 3.41Å; Y191-E193 HydrophobicContact CE1-CG 4.22Å; Y191-E193 VanDerWaalsContact CE1-OE1 3.26Å; Y191-E193 WeakPolarHBondContact CE1-OE1 3.5Å; Y191-E193 PolarHBondContact O-N 3.06Å |
| 192 | E | 93.1 | Very high | 93.5 | Very high | 144 Ų | 144 | 37.9 Ų | 37.9 | 67% | 0.673 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 17.5 | -178.5 | -50.5 | -176.2 | 154.7 | 0 | 0 | 114.1 | Y188 D189 Y194 | Y188-E192 PolarHBondContact O-N 2.97Å; Y188-E192 VanDerWaalsContact O-N 3.09Å; D189-E192 PolarHBondContact O-N 3.15Å; E192-Y194 HydrophobicContact CB-CE2 3.96Å; E192-Y194 WeakPolarHBondContact O-CD2 3.28Å; E192-Y194 PolarHBondContact O-N 3.03Å; E192-Y194 VanDerWaalsContact O-N 3.13Å |
| 193 | E | 94 | Very high | 93.5 | Very high | 69 Ų | 69 | 40 Ų | 40 | 32% | 0.322 | 20% | 0.195 | S | C | . | . | trans | -87.9 | 62.1 | 171.9 | -75.7 | -171.2 | -175.6 | 0 | 0 | 110.4 | Y188 Y191 D195 N196 A197 | Y188-E193 HydrophobicContact CD1-CB 3.87Å; Y188-E193 WeakPolarHBondContact CE1-OE2 3.41Å; Y188-E193 PolarHBondContact O-N 3.21Å; Y191-E193 HydrophobicContact CD1-CB 4.45Å; Y191-E193 HydrophobicContact CD1-CG 3.68Å; Y191-E193 WeakPolarHBondContact CD1-OE1 3.41Å; Y191-E193 HydrophobicContact CE1-CG 4.22Å; Y191-E193 VanDerWaalsContact CE1-OE1 3.26Å; Y191-E193 WeakPolarHBondContact CE1-OE1 3.5Å; Y191-E193 PolarHBondContact O-N 3.06Å; E193-D195 PolarHBondContact O-N 3.02Å; E193-N196 HydrophobicContact CB-CB 4.44Å; E193-N196 PolarHBondContact O-N 3.4Å; E193-N196 PolarHBondContact OE2-ND2 3.22Å; E193-A197 PolarHBondContact O-N 2.87Å; E193-A197 VanDerWaalsContact O-N 3.14Å | ||
| 194 | Y | 94.6 | Very high | 93.4 | Very high | 38 Ų | 38 | 41.7 Ų | 41.7 | 15% | 0.149 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.3 | -33.7 | -175.5 | -54.8 | -62 | 0 | 0 | 0 | 113.2 | E192 N196 A197 V198 I217 K220 | E192-Y194 HydrophobicContact CB-CE2 3.96Å; E192-Y194 WeakPolarHBondContact O-CD2 3.28Å; E192-Y194 PolarHBondContact O-N 3.03Å; E192-Y194 VanDerWaalsContact O-N 3.13Å; Y194-N196 VanDerWaalsContact C-N 3.34Å; Y194-N196 PolarHBondContact O-N 2.79Å; Y194-A197 WeakPolarHBondContact O-CB 3.34Å; Y194-A197 PolarHBondContact O-N 2.92Å; Y194-V198 WeakPolarHBondContact O-CG2 3.37Å; Y194-V198 PolarHBondContact O-N 3.27Å; Y194-I217 HydrophobicContact CD1-CG2 4.02Å; Y194-I217 HydrophobicContact CG-CG2 4.41Å; Y194-K220 HydrophobicContact CD1-CB 4.28Å; Y194-K220 HydrophobicContact CD1-CD 4.09Å; Y194-K220 HydrophobicContact CD2-CB 3.59Å; Y194-K220 HydrophobicContact CD2-CD 4.37Å; Y194-K220 HydrophobicContact CE1-CB 4.38Å; Y194-K220 HydrophobicContact CE1-CD 3.51Å; Y194-K220 HydrophobicContact CE2-CB 3.72Å; Y194-K220 HydrophobicContact CE2-CD 3.85Å; Y194-K220 HydrophobicContact CE2-CG 4.44Å; Y194-K220 HydrophobicContact CG-CB 3.88Å; Y194-K220 HydrophobicContact CG-CD 4.47Å |
| 195 | D | 93.5 | Very high | 93.2 | Very high | 54 Ų | 54 | 43.6 Ų | 43.6 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.3 | -46.6 | 178.6 | -66.5 | 17.7 | 0 | 0 | 0 | 110.8 | E193 V198 L199 V221 L226 | E193-D195 PolarHBondContact O-N 3.02Å; D195-V198 PolarHBondContact O-N 3.14Å; D195-L199 WeakPolarHBondContact O-CG 3.45Å; D195-L199 PolarHBondContact O-N 3.46Å; D195-L199 VanDerWaalsContact O-N 3.1Å; D195-V221 WeakPolarHBondContact OD1-CG1 3.49Å; D195-L226 HydrophobicContact CB-CD1 3.73Å |
| 196 | N | 92.9 | Very high | 92.8 | Very high | 60 Ų | 60 | 49.8 Ų | 49.8 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -71.2 | -35.2 | 178.8 | -65.3 | -28.2 | 0 | 0 | 0 | 111.7 | Y188 E193 Y194 L199 T200 | Y188-N196 HydrophobicContact CD1-CB 3.96Å; Y188-N196 HydrophobicContact CD2-CB 3.75Å; Y188-N196 HydrophobicContact CE1-CB 3.78Å; Y188-N196 HydrophobicContact CE2-CB 3.48Å; Y188-N196 VanDerWaalsContact CE2-CB 3.48Å; Y188-N196 HydrophobicContact CG-CB 3.99Å; E193-N196 HydrophobicContact CB-CB 4.44Å; E193-N196 PolarHBondContact O-N 3.4Å; E193-N196 PolarHBondContact OE2-ND2 3.22Å; Y194-N196 VanDerWaalsContact C-N 3.34Å; Y194-N196 PolarHBondContact O-N 2.79Å; N196-L199 PolarHBondContact O-N 3.21Å; N196-T200 WeakPolarHBondContact O-CB 3.38Å; N196-T200 PolarHBondContact O-N 3.25Å; N196-T200 PolarHBondContact O-OG1 3.4Å |
| 197 | A | 94.3 | Very high | 92.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.2 | -49.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y188 E193 Y194 T200 M201 I217 | Y188-A197 HydrophobicContact CD2-CB 4.48Å; E193-A197 PolarHBondContact O-N 2.87Å; E193-A197 VanDerWaalsContact O-N 3.14Å; Y194-A197 WeakPolarHBondContact O-CB 3.34Å; Y194-A197 PolarHBondContact O-N 2.92Å; A197-T200 PolarHBondContact O-N 2.65Å; A197-M201 WeakPolarHBondContact O-CG 3.32Å; A197-M201 PolarHBondContact O-N 3.45Å; A197-I217 HydrophobicContact CB-CD1 4.31Å; A197-I217 HydrophobicContact CB-CG2 4.11Å |
| 198 | V | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64 | -44.9 | 179.6 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | Y194 D195 T200 M201 M202 F214 I217 I218 V221 L226 | Y194-V198 WeakPolarHBondContact O-CG2 3.37Å; Y194-V198 PolarHBondContact O-N 3.27Å; D195-V198 PolarHBondContact O-N 3.14Å; V198-T200 VanDerWaalsContact C-N 3.28Å; V198-T200 PolarHBondContact O-N 3.25Å; V198-M201 PolarHBondContact O-N 2.95Å; V198-M202 HydrophobicContact CG1-CG 4.35Å; V198-M202 HydrophobicContact CG1-SD 3.81Å; V198-M202 VanDerWaalsContact O-CG 3.3Å; V198-M202 WeakPolarHBondContact O-CG 3.4Å; V198-M202 PolarHBondContact O-N 3.21Å; V198-F214 HydrophobicContact CG1-CE2 3.92Å; V198-F214 HydrophobicContact CG1-CZ 3.84Å; V198-I217 HydrophobicContact CG2-CB 4.47Å; V198-I217 HydrophobicContact CG2-CG2 3.58Å; V198-I218 HydrophobicContact CB-CD1 4.47Å; V198-I218 HydrophobicContact CG1-CD1 3.83Å; V198-I218 HydrophobicContact CG2-CD1 3.92Å; V198-V221 HydrophobicContact CG2-CG2 3.81Å; V198-L226 HydrophobicContact CG1-CD2 4.05Å |
| 199 | L | 93.4 | Very high | 91.9 | Very high | 70 Ų | 70 | 54.5 Ų | 54.5 | 37% | 0.366 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.7 | -44.5 | 176.5 | -75.6 | 171.4 | 0 | 0 | 0 | 111.8 | D195 N196 M202 S203 L226 | D195-L199 WeakPolarHBondContact O-CG 3.45Å; D195-L199 PolarHBondContact O-N 3.46Å; D195-L199 VanDerWaalsContact O-N 3.1Å; N196-L199 PolarHBondContact O-N 3.21Å; L199-M202 PolarHBondContact O-N 3.38Å; L199-S203 PolarHBondContact O-N 3.45Å; L199-S203 PolarHBondContact O-OG 2.84Å; L199-L226 HydrophobicContact CD2-CD2 3.65Å; L199-L226 HydrophobicContact CG-CD2 3.77Å |
| 200 | T | 93.1 | Very high | 91.7 | Very high | 14 Ų | 14 | 58.5 Ų | 58.5 | 9% | 0.086 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -64.4 | -42 | 178.7 | -52.6 | 0 | 0 | 0 | 0 | 111.7 | W181 L184 V185 N196 A197 V198 M202 S203 H204 | W181-T200 HydrophobicContact CB-CG2 4.26Å; W181-T200 HydrophobicContact CD2-CG2 4.38Å; W181-T200 HydrophobicContact CE3-CG2 3.65Å; W181-T200 HydrophobicContact CZ3-CG2 4.42Å; L184-T200 HydrophobicContact CD2-CG2 4.29Å; V185-T200 HydrophobicContact CG2-CG2 3.77Å; N196-T200 WeakPolarHBondContact O-CB 3.38Å; N196-T200 PolarHBondContact O-N 3.25Å; N196-T200 PolarHBondContact O-OG1 3.4Å; A197-T200 PolarHBondContact O-N 2.65Å; V198-T200 VanDerWaalsContact C-N 3.28Å; V198-T200 PolarHBondContact O-N 3.25Å; T200-M202 VanDerWaalsContact C-N 3.28Å; T200-M202 PolarHBondContact O-N 3.35Å; T200-S203 PolarHBondContact O-N 2.65Å; T200-S203 PolarHBondContact O-OG 3.39Å; T200-H204 PolarHBondContact O-N 2.72Å |
| 201 | M | 93 | Very high | 91.4 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.5 | -33.6 | 175.6 | -71.6 | -177.9 | 165.4 | 0 | 0 | 112.5 | V185 A197 V198 H204 A208 Q213 F214 I217 | V185-M201 HydrophobicContact CG1-CE 3.28Å; V185-M201 HydrophobicContact CG1-CG 4.06Å; V185-M201 HydrophobicContact CG1-SD 4.34Å; V185-M201 HydrophobicContact CG2-CG 3.84Å; A197-M201 WeakPolarHBondContact O-CG 3.32Å; A197-M201 PolarHBondContact O-N 3.45Å; V198-M201 PolarHBondContact O-N 2.95Å; M201-H204 CarbonylContact O-C 3.56Å; M201-A208 HydrophobicContact CG-CB 4.38Å; M201-Q213 HydrophobicContact CE-CB 4.15Å; M201-Q213 HydrophobicContact CE-CG 3.74Å; M201-F214 HydrophobicContact CB-CD2 3.98Å; M201-F214 HydrophobicContact CB-CE2 4.16Å; M201-F214 HydrophobicContact CG-CD2 4.44Å; M201-F214 HydrophobicContact SD-CB 4.05Å; M201-F214 HydrophobicContact SD-CD2 3.49Å; M201-F214 WeakPolarHBondContact SD-CD2 3.37Å; M201-F214 HydrophobicContact SD-CE2 4.37Å; M201-F214 HydrophobicContact SD-CG 4.2Å; M201-I217 HydrophobicContact CE-CD1 3.72Å; M201-I217 HydrophobicContact SD-CD1 4.46Å |
| 202 | M | 91.2 | Very high | 91.1 | Very high | 36 Ų | 36 | 55.4 Ų | 55.4 | 18% | 0.177 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -77 | -38.6 | 178.5 | -69.9 | 173.3 | 66.4 | 0 | 0 | 112.8 | V198 L199 T200 P205 F214 R229 A230 F233 | V198-M202 HydrophobicContact CG1-CG 4.35Å; V198-M202 HydrophobicContact CG1-SD 3.81Å; V198-M202 VanDerWaalsContact O-CG 3.3Å; V198-M202 WeakPolarHBondContact O-CG 3.4Å; V198-M202 PolarHBondContact O-N 3.21Å; L199-M202 PolarHBondContact O-N 3.38Å; T200-M202 VanDerWaalsContact C-N 3.28Å; T200-M202 PolarHBondContact O-N 3.35Å; M202-P205 WeakPolarHBondContact O-CG 3.43Å; M202-F214 HydrophobicContact CG-CE2 4.21Å; M202-F214 HydrophobicContact CG-CZ 4.49Å; M202-R229 VanDerWaalsContact CE-C 3.42Å; M202-R229 HydrophobicContact CE-CB 3.81Å; M202-R229 WeakPolarHBondContact CE-O 3.49Å; M202-A230 HydrophobicContact SD-CB 4.32Å; M202-F233 HydrophobicContact CE-CB 3.81Å; M202-F233 HydrophobicContact CE-CG 4.48Å; M202-F233 HydrophobicContact CG-CB 4.43Å; M202-F233 HydrophobicContact CG-CD1 4.28Å; M202-F233 HydrophobicContact CG-CG 4.19Å |
| 203 | S | 91.6 | Very high | 91 | Very high | 71 Ų | 71 | 50.8 Ų | 50.8 | 50% | 0.497 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -75.8 | -28.3 | 177.5 | 63.9 | 0 | 0 | 0 | 0 | 112.6 | L199 T200 P205 | L199-S203 PolarHBondContact O-N 3.45Å; L199-S203 PolarHBondContact O-OG 2.84Å; T200-S203 PolarHBondContact O-N 2.65Å; T200-S203 PolarHBondContact O-OG 3.39Å; S203-P205 VanDerWaalsContact C-CD 3.48Å; S203-P205 WeakPolarHBondContact O-CD 3.33Å |
| 204 | H | 91.4 | Very high | 90.9 | Very high | 58 Ų | 58 | 47.5 Ų | 47.5 | 27% | 0.269 | 26% | 0.257 | S | S | . | . | trans | -125.9 | 69.5 | 179.4 | -54.3 | -65 | 0 | 0 | 0 | 113.1 | W181 T200 M201 T206 A208 | W181-H204 HydrophobicContact CB-CB 4.19Å; W181-H204 AromaticContact CD1-CG 3.68Å; W181-H204 HydrophobicContact CD2-CB 4.3Å; W181-H204 AromaticContact CD2-CD2 3.34Å; W181-H204 AromaticContact CD2-CG 3.71Å; W181-H204 AromaticContact CD2-NE2 3.86Å; W181-H204 AromaticContact CE2-CD2 3.46Å; W181-H204 VanDerWaalsContact CE2-CD2 3.46Å; W181-H204 AromaticContact CE2-CE1 3.69Å; W181-H204 AromaticContact CE2-CG 3.67Å; W181-H204 AromaticContact CE2-ND1 3.79Å; W181-H204 AromaticContact CE2-NE2 3.54Å; W181-H204 AromaticContact CE3-CD2 3.59Å; W181-H204 HydrophobicContact CG-CB 3.83Å; W181-H204 AromaticContact CG-CD2 3.82Å; W181-H204 AromaticContact CG-CG 3.74Å; W181-H204 AromaticContact CH2-NE2 3.56Å; W181-H204 AromaticContact CZ2-CD2 3.83Å; W181-H204 AromaticContact CZ2-CE1 3.61Å; W181-H204 AromaticContact CZ2-NE2 3.4Å; W181-H204 WeakPolarHBondContact CZ2-NE2 3.24Å; W181-H204 AromaticContact CZ3-CD2 3.93Å; W181-H204 AromaticContact CZ3-NE2 3.87Å; W181-H204 AromaticContact NE1-CD2 3.94Å; W181-H204 AromaticContact NE1-CE1 3.95Å; W181-H204 AromaticContact NE1-CG 3.64Å; W181-H204 AromaticContact NE1-ND1 3.65Å; T200-H204 PolarHBondContact O-N 2.72Å; M201-H204 CarbonylContact O-C 3.56Å; H204-T206 VanDerWaalsContact C-N 3.33Å; H204-T206 PolarHBondContact O-N 2.96Å; H204-A208 PolarHBondContact O-N 3.14Å | ||
| 205 | P | 88.6 | Confident | 90.7 | Very high | 41 Ų | 41 | 47.3 Ų | 47.3 | 27% | 0.266 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -29.3 | -174.7 | -27.5 | 39 | 0 | 0 | 0 | 115.7 | M202 S203 W209 F233 | M202-P205 WeakPolarHBondContact O-CG 3.43Å; S203-P205 VanDerWaalsContact C-CD 3.48Å; S203-P205 WeakPolarHBondContact O-CD 3.33Å; P205-W209 VanDerWaalsContact O-CB 3.24Å; P205-W209 WeakPolarHBondContact O-CB 3.2Å; P205-F233 HydrophobicContact CB-CE2 4.11Å; P205-F233 HydrophobicContact CB-CZ 3.79Å; P205-F233 HydrophobicContact CG-CE2 3.4Å; P205-F233 VanDerWaalsContact CG-CE2 3.4Å; P205-F233 HydrophobicContact CG-CZ 3.57Å |
| 206 | T | 86.6 | Confident | 90.6 | Very high | 132 Ų | 132 | 49.8 Ų | 49.8 | 81% | 0.81 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -31.5 | -172.2 | 45.3 | 0 | 0 | 0 | 0 | 113.1 | H204 | H204-T206 VanDerWaalsContact C-N 3.33Å; H204-T206 PolarHBondContact O-N 2.96Å |
| 207 | E | 86.4 | Confident | 90.6 | Very high | 116 Ų | 116 | 47 Ų | 47 | 54% | 0.542 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.7 | -40.8 | -170.8 | -65.2 | 178.7 | -164.3 | 0 | 0 | 112.4 | W181 | W181-E207 VanDerWaalsContact CD1-OE2 3.25Š|
| 208 | A | 87.5 | Confident | 90.5 | Very high | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -25.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | W181 V185 M201 H204 K210 | W181-A208 HydrophobicContact CB-CB 3.87Å; V185-A208 HydrophobicContact CG2-CB 3.9Å; M201-A208 HydrophobicContact CG-CB 4.38Å; H204-A208 PolarHBondContact O-N 3.14Å; A208-K210 PolarHBondContact O-N 3.16Å |
| 209 | W | 90.6 | Very high | 90.4 | Very high | 37 Ų | 37 | 49.8 Ų | 49.8 | 14% | 0.14 | 27% | 0.272 | C | S | . | . | trans | -74.6 | 124.6 | -173.6 | -176 | 92.1 | 0 | 0 | 0 | 111.3 | P205 E211 F214 F233 Y234 K238 L241 | P205-W209 VanDerWaalsContact O-CB 3.24Å; P205-W209 WeakPolarHBondContact O-CB 3.2Å; W209-E211 HydrophobicContact CH2-CB 3.52Å; W209-E211 HydrophobicContact CH2-CG 3.77Å; W209-E211 HydrophobicContact CZ2-CB 4.02Å; W209-E211 HydrophobicContact CZ2-CG 4.04Å; W209-E211 HydrophobicContact CZ3-CB 3.99Å; W209-F214 AromaticContact CD1-CD2 3.76Å; W209-F214 AromaticContact NE1-CD2 3.92Å; W209-F214 AromaticContact NE1-CG 3.98Å; W209-F233 AromaticContact CD1-CE1 3.95Å; W209-Y234 HydrophobicContact CZ2-CE1 4.03Å; W209-Y234 AromaticContact CZ2-CZ 3.83Å; W209-Y234 WeakPolarHBondContact CZ2-OH 3.43Å; W209-Y234 AromaticContact NE1-CE2 3.81Å; W209-Y234 AromaticContact NE1-CZ 3.61Å; W209-Y234 PolarHBondContact NE1-OH 3.01Å; W209-Y234 VanDerWaalsContact NE1-OH 3.12Å; W209-K238 HydrophobicContact CH2-CD 3.71Å; W209-K238 HydrophobicContact CZ2-CD 3.82Å; W209-K238 HydrophobicContact CZ3-CD 4.29Å; W209-L241 HydrophobicContact CH2-CD1 3.95Å; W209-L241 HydrophobicContact CZ2-CD1 4.4Å | ||
| 210 | K | 89.8 | Confident | 90.3 | Very high | 111 Ų | 111 | 51.4 Ų | 51.4 | 48% | 0.483 | 28% | 0.276 | S | S | . | . | trans | -130.9 | 129.3 | 168.4 | -65.6 | 179.6 | -173.9 | 170 | 0 | 108.4 | A208 G212 Q213 F214 | A208-K210 PolarHBondContact O-N 3.16Å; K210-G212 PolarHBondContact O-N 3.23Å; K210-Q213 HydrophobicContact CB-CB 4.01Å; K210-Q213 PolarHBondContact O-N 3.34Å; K210-F214 WeakPolarHBondContact O-CB 3.4Å; K210-F214 PolarHBondContact O-N 2.89Å | ||
| 211 | E | 85.8 | Confident | 90.2 | Very high | 67 Ų | 67 | 50.8 Ų | 50.8 | 31% | 0.313 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -57.6 | -52.4 | -168.2 | -164.4 | -163.8 | 138.5 | 0 | 0 | 113.5 | W209 F214 K215 L241 | W209-E211 HydrophobicContact CH2-CB 3.52Å; W209-E211 HydrophobicContact CH2-CG 3.77Å; W209-E211 HydrophobicContact CZ2-CB 4.02Å; W209-E211 HydrophobicContact CZ2-CG 4.04Å; W209-E211 HydrophobicContact CZ3-CB 3.99Å; E211-F214 PolarHBondContact O-N 2.76Å; E211-K215 WeakPolarHBondContact O-CG 3.43Å; E211-K215 PolarHBondContact O-N 3.39Å; E211-K215 VanDerWaalsContact OE1-CE 3.25Å; E211-K215 WeakPolarHBondContact OE1-CE 3.36Å; E211-K215 IonicContact OE1-NZ 2.77Å; E211-K215 PolarHBondContact OE1-NZ 3.31Å; E211-L241 HydrophobicContact CG-CD1 4.31Å |
| 212 | G | 88.3 | Confident | 90 | Very high | 43 Ų | 43 | 54.7 Ų | 54.7 | 44% | 0.443 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64 | -45.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | K210 F214 K215 D216 | K210-G212 PolarHBondContact O-N 3.23Å; G212-F214 VanDerWaalsContact C-N 3.33Å; G212-F214 PolarHBondContact O-N 3.22Å; G212-K215 PolarHBondContact O-N 2.97Å; G212-D216 PolarHBondContact O-N 3.01Å |
| 213 | Q | 90.6 | Very high | 89.9 | Confident | 48 Ų | 48 | 56 Ų | 56 | 22% | 0.224 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 179.9 | -169.2 | -178.1 | 0.5 | 0 | 0 | 112 | M201 K210 K215 D216 I217 | M201-Q213 HydrophobicContact CE-CB 4.15Å; M201-Q213 HydrophobicContact CE-CG 3.74Å; K210-Q213 HydrophobicContact CB-CB 4.01Å; K210-Q213 PolarHBondContact O-N 3.34Å; Q213-K215 PolarHBondContact O-N 3.25Å; Q213-D216 PolarHBondContact O-N 3.48Å; Q213-I217 HydrophobicContact CG-CD1 3.75Å; Q213-I217 HydrophobicContact CG-CG1 4.39Å; Q213-I217 WeakPolarHBondContact O-CB 3.31Å; Q213-I217 VanDerWaalsContact O-CG1 3.24Å; Q213-I217 WeakPolarHBondContact O-CG1 3.28Å; Q213-I217 PolarHBondContact O-N 2.86Å |
| 214 | F | 92.9 | Very high | 89.7 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.5 | -44.9 | 176.7 | -170.3 | -79.5 | 0 | 0 | 0 | 111.4 | V198 M201 M202 W209 K210 E211 G212 D216 I217 I218 A230 Y234 L245 | V198-F214 HydrophobicContact CG1-CE2 3.92Å; V198-F214 HydrophobicContact CG1-CZ 3.84Å; M201-F214 HydrophobicContact CB-CD2 3.98Å; M201-F214 HydrophobicContact CB-CE2 4.16Å; M201-F214 HydrophobicContact CG-CD2 4.44Å; M201-F214 HydrophobicContact SD-CB 4.05Å; M201-F214 HydrophobicContact SD-CD2 3.49Å; M201-F214 WeakPolarHBondContact SD-CD2 3.37Å; M201-F214 HydrophobicContact SD-CE2 4.37Å; M201-F214 HydrophobicContact SD-CG 4.2Å; M202-F214 HydrophobicContact CG-CE2 4.21Å; M202-F214 HydrophobicContact CG-CZ 4.49Å; W209-F214 AromaticContact CD1-CD2 3.76Å; W209-F214 AromaticContact NE1-CD2 3.92Å; W209-F214 AromaticContact NE1-CG 3.98Å; K210-F214 WeakPolarHBondContact O-CB 3.4Å; K210-F214 PolarHBondContact O-N 2.89Å; E211-F214 PolarHBondContact O-N 2.76Å; G212-F214 VanDerWaalsContact C-N 3.33Å; G212-F214 PolarHBondContact O-N 3.22Å; F214-D216 VanDerWaalsContact C-N 3.33Å; F214-D216 PolarHBondContact O-N 3.39Å; F214-I217 PolarHBondContact O-N 3.12Å; F214-I218 HydrophobicContact CD1-CB 4.48Å; F214-I218 HydrophobicContact CE1-CB 4.22Å; F214-I218 HydrophobicContact CE1-CD1 4.49Å; F214-I218 HydrophobicContact CE1-CG1 4.4Å; F214-I218 WeakPolarHBondContact O-CB 3.47Å; F214-I218 WeakPolarHBondContact O-CG2 3.47Å; F214-I218 PolarHBondContact O-N 3.2Å; F214-A230 HydrophobicContact CE1-CB 4.06Å; F214-A230 HydrophobicContact CZ-CB 3.74Å; F214-Y234 AromaticContact CD1-CE2 3.66Å; F214-Y234 HydrophobicContact CD1-CE2 3.66Å; F214-Y234 AromaticContact CD1-CZ 3.86Å; F214-Y234 VanDerWaalsContact CD1-OH 3.28Å; F214-Y234 WeakPolarHBondContact CD1-OH 3.21Å; F214-Y234 HydrophobicContact CE1-CD2 4.37Å; F214-Y234 AromaticContact CE1-CE2 3.49Å; F214-Y234 HydrophobicContact CE1-CE2 3.49Å; F214-Y234 VanDerWaalsContact CE1-CE2 3.49Å; F214-Y234 HydrophobicContact CE2-CE2 4.44Å; F214-Y234 HydrophobicContact CG-CE2 4.23Å; F214-Y234 AromaticContact CZ-CE2 3.93Å; F214-Y234 HydrophobicContact CZ-CE2 3.93Å; F214-L245 HydrophobicContact CD1-CD1 4.37Å; F214-L245 HydrophobicContact CE1-CD1 4.26Å |
| 215 | K | 90.4 | Very high | 89.5 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 14% | 0.143 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 177.6 | -68.5 | -177.8 | -147.5 | -178.8 | 0 | 111.6 | E211 G212 Q213 I218 T219 D244 V248 | E211-K215 WeakPolarHBondContact O-CG 3.43Å; E211-K215 PolarHBondContact O-N 3.39Å; E211-K215 VanDerWaalsContact OE1-CE 3.25Å; E211-K215 WeakPolarHBondContact OE1-CE 3.36Å; E211-K215 IonicContact OE1-NZ 2.77Å; E211-K215 PolarHBondContact OE1-NZ 3.31Å; G212-K215 PolarHBondContact O-N 2.97Å; Q213-K215 PolarHBondContact O-N 3.25Å; K215-I218 WeakPolarHBondContact O-CG2 3.47Å; K215-T219 WeakPolarHBondContact O-CG2 3.45Å; K215-D244 IonicContact NZ-OD2 3.64Å; K215-D244 PolarHBondContact NZ-OD2 2.95Å; K215-V248 HydrophobicContact CD-CG2 4.4Å |
| 216 | D | 91.6 | Very high | 89.6 | Confident | 106 Ų | 106 | 55.5 Ų | 55.5 | 57% | 0.567 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -68.6 | -42.3 | 179.4 | -65.9 | -24.3 | 0 | 0 | 0 | 111.8 | G212 Q213 F214 T219 | G212-D216 PolarHBondContact O-N 3.01Å; Q213-D216 PolarHBondContact O-N 3.48Å; F214-D216 VanDerWaalsContact C-N 3.33Å; F214-D216 PolarHBondContact O-N 3.39Å; D216-T219 PolarHBondContact O-OG1 3.24Å |
| 217 | I | 92.9 | Very high | 89.7 | Confident | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -69 | -45.5 | -178.8 | -67.3 | 172.2 | 0 | 0 | 0 | 111.2 | D189 Y194 A197 V198 M201 Q213 F214 T219 K220 V221 | D189-I217 HydrophobicContact CB-CD1 4.31Å; Y194-I217 HydrophobicContact CD1-CG2 4.02Å; Y194-I217 HydrophobicContact CG-CG2 4.41Å; A197-I217 HydrophobicContact CB-CD1 4.31Å; A197-I217 HydrophobicContact CB-CG2 4.11Å; V198-I217 HydrophobicContact CG2-CB 4.47Å; V198-I217 HydrophobicContact CG2-CG2 3.58Å; M201-I217 HydrophobicContact CE-CD1 3.72Å; M201-I217 HydrophobicContact SD-CD1 4.46Å; Q213-I217 HydrophobicContact CG-CD1 3.75Å; Q213-I217 HydrophobicContact CG-CG1 4.39Å; Q213-I217 WeakPolarHBondContact O-CB 3.31Å; Q213-I217 VanDerWaalsContact O-CG1 3.24Å; Q213-I217 WeakPolarHBondContact O-CG1 3.28Å; Q213-I217 PolarHBondContact O-N 2.86Å; F214-I217 PolarHBondContact O-N 3.12Å; I217-T219 PolarHBondContact O-N 3.25Å; I217-T219 VanDerWaalsContact O-N 3.15Å; I217-K220 PolarHBondContact O-N 3.43Å; I217-V221 PolarHBondContact O-N 3.21Å |
| 218 | I | 91 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.2 | -27.7 | -174.8 | -162.9 | 69.6 | 0 | 0 | 0 | 112.5 | V198 F214 K215 K220 V221 A230 L245 L249 R252 | V198-I218 HydrophobicContact CB-CD1 4.47Å; V198-I218 HydrophobicContact CG1-CD1 3.83Å; V198-I218 HydrophobicContact CG2-CD1 3.92Å; F214-I218 HydrophobicContact CD1-CB 4.48Å; F214-I218 HydrophobicContact CE1-CB 4.22Å; F214-I218 HydrophobicContact CE1-CD1 4.49Å; F214-I218 HydrophobicContact CE1-CG1 4.4Å; F214-I218 WeakPolarHBondContact O-CB 3.47Å; F214-I218 WeakPolarHBondContact O-CG2 3.47Å; F214-I218 PolarHBondContact O-N 3.2Å; K215-I218 WeakPolarHBondContact O-CG2 3.47Å; I218-K220 PolarHBondContact O-N 3.44Å; I218-V221 HydrophobicContact CD1-CG2 4.29Å; I218-A230 HydrophobicContact CD1-CB 4.18Å; I218-L245 HydrophobicContact CG2-CD1 4.04Å; I218-L249 HydrophobicContact CB-CD2 4.45Å; I218-L249 HydrophobicContact CG1-CD2 3.85Å; I218-L249 HydrophobicContact CG2-CD2 3.84Å; I218-L249 HydrophobicContact CG2-CG 4.48Å; I218-R252 PolarHBondContact O-NH1 3.1Å |
| 219 | T | 91.3 | Very high | 89.9 | Confident | 60 Ų | 60 | 51.4 Ų | 51.4 | 37% | 0.368 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.1 | -29.8 | 175.5 | 61.7 | 0 | 0 | 0 | 0 | 113.3 | K215 D216 I217 V248 R252 | K215-T219 WeakPolarHBondContact O-CG2 3.45Å; D216-T219 PolarHBondContact O-OG1 3.24Å; I217-T219 PolarHBondContact O-N 3.25Å; I217-T219 VanDerWaalsContact O-N 3.15Å; T219-V248 HydrophobicContact CG2-CG1 3.08Å; T219-R252 PolarHBondContact O-NH1 3.29Å |
| 220 | K | 91.3 | Very high | 89.9 | Confident | 103 Ų | 103 | 49.7 Ų | 49.7 | 45% | 0.448 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -90.3 | -20.1 | -175 | -55.5 | 178.3 | -171.2 | 171 | 0 | 113.6 | D189 Y194 I217 I218 A222 | D189-K220 IonicContact OD1-NZ 2.88Å; Y194-K220 HydrophobicContact CD1-CB 4.28Å; Y194-K220 HydrophobicContact CD1-CD 4.09Å; Y194-K220 HydrophobicContact CD2-CB 3.59Å; Y194-K220 HydrophobicContact CD2-CD 4.37Å; Y194-K220 HydrophobicContact CE1-CB 4.38Å; Y194-K220 HydrophobicContact CE1-CD 3.51Å; Y194-K220 HydrophobicContact CE2-CB 3.72Å; Y194-K220 HydrophobicContact CE2-CD 3.85Å; Y194-K220 HydrophobicContact CE2-CG 4.44Å; Y194-K220 HydrophobicContact CG-CB 3.88Å; Y194-K220 HydrophobicContact CG-CD 4.47Å; I217-K220 PolarHBondContact O-N 3.43Å; I218-K220 PolarHBondContact O-N 3.44Å; K220-A222 PolarHBondContact O-N 3.48Å |
| 221 | V | 92.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 44.4 Ų | 44.4 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | trans | -57 | 128.7 | 178.7 | 163.8 | 0 | 0 | 0 | 0 | 110.7 | D195 V198 I217 I218 N223 L226 R252 | D195-V221 WeakPolarHBondContact OD1-CG1 3.49Å; V198-V221 HydrophobicContact CG2-CG2 3.81Å; I217-V221 PolarHBondContact O-N 3.21Å; I218-V221 HydrophobicContact CD1-CG2 4.29Å; V221-N223 HydrophobicContact CG1-CB 4.35Å; V221-N223 WeakPolarHBondContact CG1-O 3.26Å; V221-L226 HydrophobicContact CG1-CB 3.97Å; V221-L226 HydrophobicContact CG1-CD1 4.14Å; V221-R252 PolarHBondContact O-NH1 2.99Å; V221-R252 PolarHBondContact O-NH2 3.24Å | ||
| 222 | A | 87.8 | Confident | 90 | Very high | 82 Ų | 82 | 43.9 Ų | 43.9 | 68% | 0.678 | 24% | 0.235 | S | C | * | . | S | Bend | trans | -75.9 | -35.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K220 V224 R252 | K220-A222 PolarHBondContact O-N 3.48Å; A222-V224 PolarHBondContact O-N 3.38Å; A222-R252 PolarHBondContact O-NH2 3.41Å |
| 223 | N | 89.9 | Confident | 90.1 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 34% | 0.342 | 22% | 0.216 | S | C | . | . | trans | -76.3 | 115.5 | -174.1 | -173.8 | -4.6 | 0 | 0 | 0 | 112.7 | V221 E225 L226 | V221-N223 HydrophobicContact CG1-CB 4.35Å; V221-N223 WeakPolarHBondContact CG1-O 3.26Å; N223-E225 VanDerWaalsContact C-N 3.31Å; N223-E225 PolarHBondContact O-N 3.37Å; N223-E225 VanDerWaalsContact OD1-CB 3.22Å; N223-E225 WeakPolarHBondContact OD1-CB 3.41Å; N223-E225 PolarHBondContact OD1-N 3.49Å; N223-L226 HydrophobicContact CB-CB 4.46Å; N223-L226 HydrophobicContact CB-CD1 4.1Å; N223-L226 WeakPolarHBondContact O-CB 3.25Å; N223-L226 PolarHBondContact O-N 3.19Å | ||
| 224 | V | 86.7 | Confident | 90.1 | Very high | 53 Ų | 53 | 40.1 Ų | 40.1 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -70.7 | -26.9 | 179.2 | -171.7 | 0 | 0 | 0 | 0 | 112.3 | A222 L226 C227 Y228 | A222-V224 PolarHBondContact O-N 3.38Å; V224-L226 PolarHBondContact O-N 2.86Å; V224-C227 VanDerWaalsContact O-CB 3.3Å; V224-C227 WeakPolarHBondContact O-CB 3.43Å; V224-C227 PolarHBondContact O-N 3.23Å; V224-C227 VanDerWaalsContact O-N 3.07Å; V224-Y228 HydrophobicContact CG1-CD2 4.37Å; V224-Y228 HydrophobicContact CG1-CE2 3.69Å; V224-Y228 WeakPolarHBondContact O-CD2 3.4Å; V224-Y228 PolarHBondContact O-N 3.35Å |
| 225 | E | 88.4 | Confident | 89.9 | Confident | 99 Ų | 99 | 42 Ų | 42 | 46% | 0.463 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.9 | -37.3 | 177 | -164.8 | -165 | 156.9 | 0 | 0 | 111.5 | N223 C227 Y228 R229 | N223-E225 VanDerWaalsContact C-N 3.31Å; N223-E225 PolarHBondContact O-N 3.37Å; N223-E225 VanDerWaalsContact OD1-CB 3.22Å; N223-E225 WeakPolarHBondContact OD1-CB 3.41Å; N223-E225 PolarHBondContact OD1-N 3.49Å; E225-C227 VanDerWaalsContact C-N 3.29Å; E225-C227 PolarHBondContact O-N 3.03Å; E225-Y228 PolarHBondContact O-N 3.24Å; E225-Y228 VanDerWaalsContact O-N 3.15Å; E225-R229 WeakPolarHBondContact O-CG 3.26Å; E225-R229 PolarHBondContact O-N 3.5Å; E225-R229 IonicContact OE1-CZ 3.33Å; E225-R229 VanDerWaalsContact OE1-CZ 3.3Å; E225-R229 IonicContact OE1-NE 2.85Å; E225-R229 PolarHBondContact OE1-NE 3.21Å; E225-R229 VanDerWaalsContact OE1-NE 3.15Å; E225-R229 IonicContact OE1-NH2 3.48Å; E225-R229 PolarHBondContact OE1-NH2 3.12Å |
| 226 | L | 90.4 | Very high | 89.7 | Confident | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.037 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.7 | -36.7 | 175.4 | -97.8 | 159.7 | 0 | 0 | 0 | 112.1 | D195 V198 L199 V221 N223 V224 Y228 R229 A230 | D195-L226 HydrophobicContact CB-CD1 3.73Å; V198-L226 HydrophobicContact CG1-CD2 4.05Å; L199-L226 HydrophobicContact CD2-CD2 3.65Å; L199-L226 HydrophobicContact CG-CD2 3.77Å; V221-L226 HydrophobicContact CG1-CB 3.97Å; V221-L226 HydrophobicContact CG1-CD1 4.14Å; N223-L226 HydrophobicContact CB-CB 4.46Å; N223-L226 HydrophobicContact CB-CD1 4.1Å; N223-L226 WeakPolarHBondContact O-CB 3.25Å; N223-L226 PolarHBondContact O-N 3.19Å; V224-L226 PolarHBondContact O-N 2.86Å; L226-Y228 VanDerWaalsContact C-N 3.34Å; L226-Y228 PolarHBondContact O-N 3.5Å; L226-R229 PolarHBondContact O-N 3.01Å; L226-A230 VanDerWaalsContact O-CB 3.28Å; L226-A230 WeakPolarHBondContact O-CB 3.36Å; L226-A230 PolarHBondContact O-N 3.07Å |
| 227 | C | 88.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.4 | -41.3 | 174.3 | -59 | 0 | 0 | 0 | 0 | 111.6 | V224 E225 A230 L231 L249 L253 | V224-C227 VanDerWaalsContact O-CB 3.3Å; V224-C227 WeakPolarHBondContact O-CB 3.43Å; V224-C227 PolarHBondContact O-N 3.23Å; V224-C227 VanDerWaalsContact O-N 3.07Å; E225-C227 VanDerWaalsContact C-N 3.29Å; E225-C227 PolarHBondContact O-N 3.03Å; C227-A230 WeakPolarHBondContact O-CB 3.43Å; C227-A230 PolarHBondContact O-N 3.38Å; C227-L231 WeakPolarHBondContact O-CG 3.36Å; C227-L231 PolarHBondContact O-N 3.23Å; C227-L249 HydrophobicContact CB-CD1 4.32Å; C227-L253 HydrophobicContact CB-CD2 4.02Å |
| 228 | Y | 87.8 | Confident | 89.2 | Confident | 38 Ų | 38 | 50.3 Ų | 50.3 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.1 | -40.7 | 177.5 | -61.5 | -52 | 0 | 0 | 0 | 112.5 | V224 E225 L226 A230 L231 Q232 L253 D254 W257 | V224-Y228 HydrophobicContact CG1-CD2 4.37Å; V224-Y228 HydrophobicContact CG1-CE2 3.69Å; V224-Y228 WeakPolarHBondContact O-CD2 3.4Å; V224-Y228 PolarHBondContact O-N 3.35Å; E225-Y228 PolarHBondContact O-N 3.24Å; E225-Y228 VanDerWaalsContact O-N 3.15Å; L226-Y228 VanDerWaalsContact C-N 3.34Å; L226-Y228 PolarHBondContact O-N 3.5Å; Y228-A230 VanDerWaalsContact C-N 3.28Å; Y228-A230 PolarHBondContact O-N 2.84Å; Y228-L231 HydrophobicContact CD1-CD1 4.22Å; Y228-L231 WeakPolarHBondContact O-CB 3.48Å; Y228-L231 PolarHBondContact O-N 3.14Å; Y228-Q232 PolarHBondContact O-N 2.85Å; Y228-L253 HydrophobicContact CD1-CD2 3.84Å; Y228-L253 HydrophobicContact CE1-CD2 3.43Å; Y228-L253 VanDerWaalsContact CE1-CD2 3.43Å; Y228-D254 PolarHBondContact OH-N 3.02Å; Y228-W257 HydrophobicContact CD1-CD2 4.36Å; Y228-W257 AromaticContact CD1-CE3 3.36Å; Y228-W257 HydrophobicContact CD1-CE3 3.36Å; Y228-W257 AromaticContact CD1-CH2 3.72Å; Y228-W257 HydrophobicContact CD1-CH2 3.72Å; Y228-W257 AromaticContact CD1-CZ3 3Å; Y228-W257 HydrophobicContact CD1-CZ3 3Å; Y228-W257 HydrophobicContact CD2-CE3 4.42Å; Y228-W257 HydrophobicContact CD2-CH2 4.23Å; Y228-W257 HydrophobicContact CD2-CZ3 4.19Å; Y228-W257 AromaticContact CE1-CD2 3.98Å; Y228-W257 HydrophobicContact CE1-CD2 3.98Å; Y228-W257 AromaticContact CE1-CE3 3.13Å; Y228-W257 HydrophobicContact CE1-CE3 3.13Å; Y228-W257 HydrophobicContact CE1-CH2 4.32Å; Y228-W257 AromaticContact CE1-CZ3 3.37Å; Y228-W257 HydrophobicContact CE1-CZ3 3.37Å; Y228-W257 HydrophobicContact CE2-CD2 4.4Å; Y228-W257 HydrophobicContact CE2-CE3 4.25Å; Y228-W257 HydrophobicContact CE2-CZ3 4.48Å; Y228-W257 HydrophobicContact CG-CE3 4.01Å; Y228-W257 AromaticContact CG-CH2 3.66Å; Y228-W257 HydrophobicContact CG-CH2 3.66Å; Y228-W257 HydrophobicContact CG-CZ2 4.39Å; Y228-W257 AromaticContact CG-CZ3 3.46Å; Y228-W257 HydrophobicContact CG-CZ3 3.46Å; Y228-W257 VanDerWaalsContact CG-CZ3 3.46Å; Y228-W257 AromaticContact CZ-CE3 3.63Å |
| 229 | R | 90.1 | Very high | 88.9 | Confident | 127 Ų | 127 | 53.9 Ų | 53.9 | 48% | 0.479 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.5 | -37 | 172.7 | -62.8 | -176.1 | -173.5 | -173.4 | 2.4 | 111.4 | M202 E225 L226 Q232 F233 | M202-R229 VanDerWaalsContact CE-C 3.42Å; M202-R229 HydrophobicContact CE-CB 3.81Å; M202-R229 WeakPolarHBondContact CE-O 3.49Å; E225-R229 WeakPolarHBondContact O-CG 3.26Å; E225-R229 PolarHBondContact O-N 3.5Å; E225-R229 IonicContact OE1-CZ 3.33Å; E225-R229 VanDerWaalsContact OE1-CZ 3.3Å; E225-R229 IonicContact OE1-NE 2.85Å; E225-R229 PolarHBondContact OE1-NE 3.21Å; E225-R229 VanDerWaalsContact OE1-NE 3.15Å; E225-R229 IonicContact OE1-NH2 3.48Å; E225-R229 PolarHBondContact OE1-NH2 3.12Å; L226-R229 PolarHBondContact O-N 3.01Å; R229-Q232 WeakPolarHBondContact O-CB 3.43Å; R229-Q232 PolarHBondContact O-N 3.13Å; R229-F233 PolarHBondContact O-N 3.02Å |
| 230 | A | 90.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.5 | -39.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | M202 F214 I218 L226 C227 Y228 F233 Y234 | M202-A230 HydrophobicContact SD-CB 4.32Å; F214-A230 HydrophobicContact CE1-CB 4.06Å; F214-A230 HydrophobicContact CZ-CB 3.74Å; I218-A230 HydrophobicContact CD1-CB 4.18Å; L226-A230 VanDerWaalsContact O-CB 3.28Å; L226-A230 WeakPolarHBondContact O-CB 3.36Å; L226-A230 PolarHBondContact O-N 3.07Å; C227-A230 WeakPolarHBondContact O-CB 3.43Å; C227-A230 PolarHBondContact O-N 3.38Å; Y228-A230 VanDerWaalsContact C-N 3.28Å; Y228-A230 PolarHBondContact O-N 2.84Å; A230-F233 PolarHBondContact O-N 3.18Å; A230-Y234 WeakPolarHBondContact O-CD2 3.36Å; A230-Y234 PolarHBondContact O-N 3.32Å |
| 231 | L | 88.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -44.6 | 173.5 | -72.6 | 173.3 | 0 | 0 | 0 | 111.7 | C227 Y228 F233 Y234 L235 I242 L245 L246 L249 L253 | C227-L231 WeakPolarHBondContact O-CG 3.36Å; C227-L231 PolarHBondContact O-N 3.23Å; Y228-L231 HydrophobicContact CD1-CD1 4.22Å; Y228-L231 WeakPolarHBondContact O-CB 3.48Å; Y228-L231 PolarHBondContact O-N 3.14Å; L231-F233 VanDerWaalsContact C-N 3.34Å; L231-F233 PolarHBondContact O-N 3.09Å; L231-Y234 PolarHBondContact O-N 3.44Å; L231-L235 WeakPolarHBondContact O-CB 3.25Å; L231-L235 PolarHBondContact O-N 2.87Å; L231-I242 HydrophobicContact CD2-CG1 4.26Å; L231-L245 HydrophobicContact CD2-CD2 3.98Å; L231-L245 HydrophobicContact CD2-CG 4.38Å; L231-L246 HydrophobicContact CD1-CD2 4.23Å; L231-L246 HydrophobicContact CD2-CD2 3.61Å; L231-L246 HydrophobicContact CD2-CG 4.1Å; L231-L249 HydrophobicContact CD2-CD1 4.37Å; L231-L253 HydrophobicContact CD1-CD1 4.04Å; L231-L253 HydrophobicContact CD1-CD2 4.22Å |
| 232 | Q | 88.8 | Confident | 88.4 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 26% | 0.262 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.8 | -47.8 | 173.9 | -174.1 | 71.6 | 49.2 | 0 | 0 | 110.9 | Y228 R229 Y234 L235 D236 F261 | Y228-Q232 PolarHBondContact O-N 2.85Å; R229-Q232 WeakPolarHBondContact O-CB 3.43Å; R229-Q232 PolarHBondContact O-N 3.13Å; Q232-Y234 VanDerWaalsContact C-N 3.35Å; Q232-Y234 PolarHBondContact O-N 2.79Å; Q232-L235 WeakPolarHBondContact O-CB 3.3Å; Q232-L235 PolarHBondContact O-N 3.29Å; Q232-L235 VanDerWaalsContact O-N 3.09Å; Q232-D236 PolarHBondContact NE2-OD1 3.17Å; Q232-D236 PolarHBondContact O-N 2.77Å; Q232-F261 HydrophobicContact CB-CZ 4.27Å |
| 233 | F | 90.9 | Very high | 88.4 | Confident | 11 Ų | 11 | 57.4 Ų | 57.4 | 5% | 0.048 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -58.9 | -43.1 | 178.3 | 170.7 | -100.2 | 0 | 0 | 0 | 113 | M202 P205 W209 R229 A230 L231 L235 Y237 | M202-F233 HydrophobicContact CE-CB 3.81Å; M202-F233 HydrophobicContact CE-CG 4.48Å; M202-F233 HydrophobicContact CG-CB 4.43Å; M202-F233 HydrophobicContact CG-CD1 4.28Å; M202-F233 HydrophobicContact CG-CG 4.19Å; P205-F233 HydrophobicContact CB-CE2 4.11Å; P205-F233 HydrophobicContact CB-CZ 3.79Å; P205-F233 HydrophobicContact CG-CE2 3.4Å; P205-F233 VanDerWaalsContact CG-CE2 3.4Å; P205-F233 HydrophobicContact CG-CZ 3.57Å; W209-F233 AromaticContact CD1-CE1 3.95Å; R229-F233 PolarHBondContact O-N 3.02Å; A230-F233 PolarHBondContact O-N 3.18Å; L231-F233 VanDerWaalsContact C-N 3.34Å; L231-F233 PolarHBondContact O-N 3.09Å; F233-L235 VanDerWaalsContact C-N 3.34Å; F233-Y237 AromaticContact CD2-CD2 3.44Å; F233-Y237 HydrophobicContact CD2-CD2 3.44Å; F233-Y237 VanDerWaalsContact CD2-CD2 3.44Å; F233-Y237 AromaticContact CD2-CE2 3.77Å; F233-Y237 HydrophobicContact CD2-CE2 3.77Å; F233-Y237 HydrophobicContact CD2-CG 4.47Å; F233-Y237 AromaticContact CE2-CD2 3.46Å; F233-Y237 HydrophobicContact CE2-CD2 3.46Å; F233-Y237 VanDerWaalsContact CE2-CD2 3.46Å; F233-Y237 AromaticContact CE2-CE2 3.89Å; F233-Y237 HydrophobicContact CE2-CE2 3.89Å; F233-Y237 HydrophobicContact CE2-CG 4.14Å; F233-Y237 HydrophobicContact CG-CD2 4.33Å; F233-Y237 HydrophobicContact CZ-CD2 4.39Å; F233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F233-Y237 PolarHBondContact O-N 2.86Å; F233-Y237 VanDerWaalsContact O-N 3.09Å |
| 234 | Y | 90 | Very high | 88.3 | Confident | 1 Ų | 1 | 57.6 Ų | 57.6 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.2 | -36.5 | 175.1 | -90 | -109.2 | 0 | 0 | 0 | 111.9 | W209 F214 A230 L231 Q232 K238 L241 L245 | W209-Y234 HydrophobicContact CZ2-CE1 4.03Å; W209-Y234 AromaticContact CZ2-CZ 3.83Å; W209-Y234 WeakPolarHBondContact CZ2-OH 3.43Å; W209-Y234 AromaticContact NE1-CE2 3.81Å; W209-Y234 AromaticContact NE1-CZ 3.61Å; W209-Y234 PolarHBondContact NE1-OH 3.01Å; W209-Y234 VanDerWaalsContact NE1-OH 3.12Å; F214-Y234 AromaticContact CD1-CE2 3.66Å; F214-Y234 HydrophobicContact CD1-CE2 3.66Å; F214-Y234 AromaticContact CD1-CZ 3.86Å; F214-Y234 VanDerWaalsContact CD1-OH 3.28Å; F214-Y234 WeakPolarHBondContact CD1-OH 3.21Å; F214-Y234 HydrophobicContact CE1-CD2 4.37Å; F214-Y234 AromaticContact CE1-CE2 3.49Å; F214-Y234 HydrophobicContact CE1-CE2 3.49Å; F214-Y234 VanDerWaalsContact CE1-CE2 3.49Å; F214-Y234 HydrophobicContact CE2-CE2 4.44Å; F214-Y234 HydrophobicContact CG-CE2 4.23Å; F214-Y234 AromaticContact CZ-CE2 3.93Å; F214-Y234 HydrophobicContact CZ-CE2 3.93Å; A230-Y234 WeakPolarHBondContact O-CD2 3.36Å; A230-Y234 PolarHBondContact O-N 3.32Å; L231-Y234 PolarHBondContact O-N 3.44Å; Q232-Y234 VanDerWaalsContact C-N 3.35Å; Q232-Y234 PolarHBondContact O-N 2.79Å; Y234-K238 CarbonylContact O-C 2.82Å; Y234-K238 VanDerWaalsContact O-CA 3.23Å; Y234-K238 WeakPolarHBondContact O-CA 3.44Å; Y234-K238 PolarHBondContact O-N 3.13Å; Y234-K238 VanDerWaalsContact O-O 3.05Å; Y234-L241 HydrophobicContact CD1-CB 4.18Å; Y234-L241 HydrophobicContact CE1-CB 4.17Å; Y234-L245 HydrophobicContact CD1-CB 4.46Å; Y234-L245 HydrophobicContact CD1-CD2 4.02Å; Y234-L245 HydrophobicContact CD2-CD2 3.54Å; Y234-L245 HydrophobicContact CE1-CD2 4.32Å; Y234-L245 HydrophobicContact CE2-CD2 3.9Å; Y234-L245 HydrophobicContact CG-CD2 3.6Å |
| 235 | L | 88.4 | Confident | 88.4 | Confident | 39 Ų | 39 | 55.1 Ų | 55.1 | 20% | 0.204 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67 | -42.4 | 177.8 | -169.8 | 58.1 | 0 | 0 | 0 | 111.9 | L231 Q232 F233 P239 I242 F262 D265 | L231-L235 WeakPolarHBondContact O-CB 3.25Å; L231-L235 PolarHBondContact O-N 2.87Å; Q232-L235 WeakPolarHBondContact O-CB 3.3Å; Q232-L235 PolarHBondContact O-N 3.29Å; Q232-L235 VanDerWaalsContact O-N 3.09Å; F233-L235 VanDerWaalsContact C-N 3.34Å; L235-P239 WeakPolarHBondContact O-CG 3.25Å; L235-I242 HydrophobicContact CB-CD1 3.97Å; L235-I242 HydrophobicContact CD1-CD1 4.08Å; L235-F262 HydrophobicContact CD1-CE1 4.4Å; L235-F262 HydrophobicContact CD2-CD1 4.14Å; L235-F262 HydrophobicContact CD2-CE1 4.01Å; L235-D265 WeakPolarHBondContact CD2-OD2 3.45Å |
| 236 | D | 87.4 | Confident | 88.3 | Confident | 89 Ų | 89 | 52.3 Ų | 52.3 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -70 | -43.1 | -178.6 | -64.7 | -17.5 | 0 | 0 | 0 | 112.2 | Q232 | Q232-D236 PolarHBondContact NE2-OD1 3.17Å; Q232-D236 PolarHBondContact O-N 2.77Å |
| 237 | Y | 85.6 | Confident | 88.3 | Confident | 161 Ų | 161 | 58 Ų | 58 | 63% | 0.631 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -106.9 | -29.4 | -170.3 | -65.8 | -79.7 | 0 | 0 | 0 | 114.4 | F233 | F233-Y237 AromaticContact CD2-CD2 3.44Å; F233-Y237 HydrophobicContact CD2-CD2 3.44Å; F233-Y237 VanDerWaalsContact CD2-CD2 3.44Å; F233-Y237 AromaticContact CD2-CE2 3.77Å; F233-Y237 HydrophobicContact CD2-CE2 3.77Å; F233-Y237 HydrophobicContact CD2-CG 4.47Å; F233-Y237 AromaticContact CE2-CD2 3.46Å; F233-Y237 HydrophobicContact CE2-CD2 3.46Å; F233-Y237 VanDerWaalsContact CE2-CD2 3.46Å; F233-Y237 AromaticContact CE2-CE2 3.89Å; F233-Y237 HydrophobicContact CE2-CE2 3.89Å; F233-Y237 HydrophobicContact CE2-CG 4.14Å; F233-Y237 HydrophobicContact CG-CD2 4.33Å; F233-Y237 HydrophobicContact CZ-CD2 4.39Å; F233-Y237 WeakPolarHBondContact O-CD2 3.44Å; F233-Y237 PolarHBondContact O-N 2.86Å; F233-Y237 VanDerWaalsContact O-N 3.09Å |
| 238 | K | 86.9 | Confident | 88.3 | Confident | 66 Ų | 66 | 60.5 Ų | 60.5 | 29% | 0.287 | 30% | 0.298 | S | S | . | . | trans | -142.7 | 65.7 | -174.2 | -62.2 | -170.5 | -175.3 | 179.2 | 0 | 113.7 | W209 Y234 L240 L241 | W209-K238 HydrophobicContact CH2-CD 3.71Å; W209-K238 HydrophobicContact CZ2-CD 3.82Å; W209-K238 HydrophobicContact CZ3-CD 4.29Å; Y234-K238 CarbonylContact O-C 2.82Å; Y234-K238 VanDerWaalsContact O-CA 3.23Å; Y234-K238 WeakPolarHBondContact O-CA 3.44Å; Y234-K238 PolarHBondContact O-N 3.13Å; Y234-K238 VanDerWaalsContact O-O 3.05Å; K238-L240 PolarHBondContact O-N 3.16Å; K238-L240 VanDerWaalsContact O-N 3.08Å; K238-L241 HydrophobicContact CB-CD1 4.33Å; K238-L241 HydrophobicContact CD-CD1 3.95Å; K238-L241 PolarHBondContact O-N 3.21Å; K238-L241 VanDerWaalsContact O-N 3.13Å | ||
| 239 | P | 84.8 | Confident | 88.3 | Confident | 74 Ų | 74 | 58.7 Ų | 58.7 | 48% | 0.481 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -56 | -33.3 | -175.3 | -22.8 | 28.7 | 0 | 0 | 0 | 114.5 | L235 L241 I242 | L235-P239 WeakPolarHBondContact O-CG 3.25Å; P239-L241 VanDerWaalsContact C-N 3.3Å; P239-L241 PolarHBondContact O-N 2.87Å; P239-I242 WeakPolarHBondContact O-CG2 2.92Å; P239-I242 PolarHBondContact O-N 3.39Å |
| 240 | L | 88.3 | Confident | 88 | Confident | 160 Ų | 160 | 55.1 Ų | 55.1 | 84% | 0.838 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -69.1 | -26.1 | -176.1 | -63.1 | 175.7 | 0 | 0 | 0 | 113.6 | K238 | K238-L240 PolarHBondContact O-N 3.16Å; K238-L240 VanDerWaalsContact O-N 3.08Å |
| 241 | L | 88.1 | Confident | 87.8 | Confident | 44 Ų | 44 | 60.7 Ų | 60.7 | 23% | 0.23 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -94.7 | -0.3 | -175 | -61.5 | 176.1 | 0 | 0 | 0 | 113 | W209 E211 Y234 K238 P239 N243 D244 L245 | W209-L241 HydrophobicContact CH2-CD1 3.95Å; W209-L241 HydrophobicContact CZ2-CD1 4.4Å; E211-L241 HydrophobicContact CG-CD1 4.31Å; Y234-L241 HydrophobicContact CD1-CB 4.18Å; Y234-L241 HydrophobicContact CE1-CB 4.17Å; K238-L241 HydrophobicContact CB-CD1 4.33Å; K238-L241 HydrophobicContact CD-CD1 3.95Å; K238-L241 PolarHBondContact O-N 3.21Å; K238-L241 VanDerWaalsContact O-N 3.13Å; P239-L241 VanDerWaalsContact C-N 3.3Å; P239-L241 PolarHBondContact O-N 2.87Å; L241-N243 VanDerWaalsContact C-N 3.34Å; L241-N243 PolarHBondContact O-N 3.3Å; L241-D244 PolarHBondContact O-N 3.28Å; L241-L245 PolarHBondContact O-N 3.28Å |
| 242 | I | 88.9 | Confident | 87.6 | Confident | 13 Ų | 13 | 64.5 Ų | 64.5 | 7% | 0.067 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -68.3 | -33.6 | -175.1 | -159.5 | 164.2 | 0 | 0 | 0 | 112.6 | L231 L235 P239 D244 L245 L246 F262 | L231-I242 HydrophobicContact CD2-CG1 4.26Å; L235-I242 HydrophobicContact CB-CD1 3.97Å; L235-I242 HydrophobicContact CD1-CD1 4.08Å; P239-I242 WeakPolarHBondContact O-CG2 2.92Å; P239-I242 PolarHBondContact O-N 3.39Å; I242-D244 VanDerWaalsContact C-N 3.31Å; I242-D244 PolarHBondContact O-N 3.42Å; I242-L245 WeakPolarHBondContact O-CB 3.45Å; I242-L245 PolarHBondContact O-N 3.37Å; I242-L246 HydrophobicContact CG1-CD1 4.39Å; I242-L246 HydrophobicContact CG1-CG 4.49Å; I242-L246 WeakPolarHBondContact O-CG 3.36Å; I242-L246 PolarHBondContact O-N 3.2Å; I242-F262 HydrophobicContact CD1-CE1 3.64Å; I242-F262 HydrophobicContact CD1-CZ 3.69Å; I242-F262 HydrophobicContact CG1-CZ 4.41Å |
| 243 | N | 88.2 | Confident | 87.4 | Confident | 103 Ų | 103 | 62.4 Ų | 62.4 | 55% | 0.551 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.6 | -42.6 | 179.5 | -68.5 | -50.3 | 0 | 0 | 0 | 111 | L241 L245 L246 L247 | L241-N243 VanDerWaalsContact C-N 3.34Å; L241-N243 PolarHBondContact O-N 3.3Å; N243-L245 VanDerWaalsContact C-N 3.31Å; N243-L245 PolarHBondContact O-N 3.25Å; N243-L246 PolarHBondContact O-N 3.34Å; N243-L247 WeakPolarHBondContact O-CG 3.36Å; N243-L247 PolarHBondContact O-N 3.12Å |
| 244 | D | 87.4 | Confident | 87.2 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 37% | 0.369 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 177.6 | -67.5 | -4.1 | 0 | 0 | 0 | 112 | K215 L241 I242 V248 | K215-D244 IonicContact NZ-OD2 3.64Å; K215-D244 PolarHBondContact NZ-OD2 2.95Å; L241-D244 PolarHBondContact O-N 3.28Å; I242-D244 VanDerWaalsContact C-N 3.31Å; I242-D244 PolarHBondContact O-N 3.42Å; D244-V248 PolarHBondContact O-N 2.83Å |
| 245 | L | 87.4 | Confident | 87 | Confident | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 174.8 | -178.7 | 63.6 | 0 | 0 | 0 | 111.2 | F214 I218 L231 Y234 L241 I242 N243 L247 V248 L249 | F214-L245 HydrophobicContact CD1-CD1 4.37Å; F214-L245 HydrophobicContact CE1-CD1 4.26Å; I218-L245 HydrophobicContact CG2-CD1 4.04Å; L231-L245 HydrophobicContact CD2-CD2 3.98Å; L231-L245 HydrophobicContact CD2-CG 4.38Å; Y234-L245 HydrophobicContact CD1-CB 4.46Å; Y234-L245 HydrophobicContact CD1-CD2 4.02Å; Y234-L245 HydrophobicContact CD2-CD2 3.54Å; Y234-L245 HydrophobicContact CE1-CD2 4.32Å; Y234-L245 HydrophobicContact CE2-CD2 3.9Å; Y234-L245 HydrophobicContact CG-CD2 3.6Å; L241-L245 PolarHBondContact O-N 3.28Å; I242-L245 WeakPolarHBondContact O-CB 3.45Å; I242-L245 PolarHBondContact O-N 3.37Å; N243-L245 VanDerWaalsContact C-N 3.31Å; N243-L245 PolarHBondContact O-N 3.25Å; L245-L247 VanDerWaalsContact C-N 3.31Å; L245-L247 PolarHBondContact O-N 3.47Å; L245-V248 PolarHBondContact O-N 3.32Å; L245-L249 HydrophobicContact CD1-CD1 3.87Å; L245-L249 HydrophobicContact CD1-CG 4.19Å; L245-L249 HydrophobicContact CD2-CD1 4.34Å; L245-L249 HydrophobicContact CG-CD1 3.78Å; L245-L249 HydrophobicContact CG-CG 4.4Å; L245-L249 WeakPolarHBondContact O-CG 3.4Å; L245-L249 PolarHBondContact O-N 2.95Å |
| 246 | L | 87.8 | Confident | 86.9 | Confident | 40 Ų | 40 | 75.1 Ų | 75.1 | 21% | 0.209 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 177.6 | -73.3 | 169.1 | 0 | 0 | 0 | 112.4 | L231 I242 N243 V248 L249 S250 L253 T258 F262 | L231-L246 HydrophobicContact CD1-CD2 4.23Å; L231-L246 HydrophobicContact CD2-CD2 3.61Å; L231-L246 HydrophobicContact CD2-CG 4.1Å; I242-L246 HydrophobicContact CG1-CD1 4.39Å; I242-L246 HydrophobicContact CG1-CG 4.49Å; I242-L246 WeakPolarHBondContact O-CG 3.36Å; I242-L246 PolarHBondContact O-N 3.2Å; N243-L246 PolarHBondContact O-N 3.34Å; L246-V248 VanDerWaalsContact C-N 3.29Å; L246-V248 PolarHBondContact O-N 2.97Å; L246-L249 PolarHBondContact O-N 3.27Å; L246-S250 PolarHBondContact O-N 2.81Å; L246-S250 PolarHBondContact O-OG 3.41Å; L246-L253 HydrophobicContact CD2-CD1 4.02Å; L246-T258 HydrophobicContact CD2-CG2 4.28Å; L246-F262 HydrophobicContact CD1-CE2 4.19Å; L246-F262 HydrophobicContact CD1-CZ 4.21Å; L246-F262 HydrophobicContact CD2-CE2 4.21Å; L246-F262 HydrophobicContact CD2-CZ 4.46Å |
| 247 | L | 89.4 | Confident | 86.7 | Confident | 128 Ų | 128 | 76 Ų | 76 | 67% | 0.67 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.4 | -43.2 | 174.5 | -73.6 | 173.6 | 0 | 0 | 0 | 111.7 | N243 L245 | N243-L247 WeakPolarHBondContact O-CG 3.36Å; N243-L247 PolarHBondContact O-N 3.12Å; L245-L247 VanDerWaalsContact C-N 3.31Å; L245-L247 PolarHBondContact O-N 3.47Å |
| 248 | V | 89 | Confident | 86.7 | Confident | 51 Ų | 51 | 69 Ų | 69 | 31% | 0.309 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -73 | -36 | -179.5 | 175.3 | 0 | 0 | 0 | 0 | 111.6 | K215 T219 D244 L245 L246 | K215-V248 HydrophobicContact CD-CG2 4.4Å; T219-V248 HydrophobicContact CG2-CG1 3.08Å; D244-V248 PolarHBondContact O-N 2.83Å; L245-V248 PolarHBondContact O-N 3.32Å; L246-V248 VanDerWaalsContact C-N 3.29Å; L246-V248 PolarHBondContact O-N 2.97Å |
| 249 | L | 87.2 | Confident | 86.5 | Confident | 0 Ų | 0 | 68.5 Ų | 68.5 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -87.3 | -7 | -177 | -65.4 | 178.8 | 0 | 0 | 0 | 114.7 | I218 C227 L231 L245 L246 P251 R252 L253 | I218-L249 HydrophobicContact CB-CD2 4.45Å; I218-L249 HydrophobicContact CG1-CD2 3.85Å; I218-L249 HydrophobicContact CG2-CD2 3.84Å; I218-L249 HydrophobicContact CG2-CG 4.48Å; C227-L249 HydrophobicContact CB-CD1 4.32Å; L231-L249 HydrophobicContact CD2-CD1 4.37Å; L245-L249 HydrophobicContact CD1-CD1 3.87Å; L245-L249 HydrophobicContact CD1-CG 4.19Å; L245-L249 HydrophobicContact CD2-CD1 4.34Å; L245-L249 HydrophobicContact CG-CD1 3.78Å; L245-L249 HydrophobicContact CG-CG 4.4Å; L245-L249 WeakPolarHBondContact O-CG 3.4Å; L245-L249 PolarHBondContact O-N 2.95Å; L246-L249 PolarHBondContact O-N 3.27Å; L249-P251 VanDerWaalsContact C-CD 3.41Å; L249-R252 PolarHBondContact O-N 3.1Å; L249-L253 HydrophobicContact CB-CD1 3.43Å; L249-L253 VanDerWaalsContact CB-CD1 3.43Å; L249-L253 HydrophobicContact CB-CG 3.86Å; L249-L253 HydrophobicContact CD1-CD1 4.26Å; L249-L253 HydrophobicContact CG-CD1 4.5Å; L249-L253 WeakPolarHBondContact O-CG 3.18Å; L249-L253 PolarHBondContact O-N 3.42Å |
| 250 | S | 85 | Confident | 86.5 | Confident | 52 Ų | 52 | 68.6 Ų | 68.6 | 36% | 0.364 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | -42.8 | -175.2 | -72.7 | 0 | 0 | 0 | 0 | 115.3 | L246 R252 H255 | L246-S250 PolarHBondContact O-N 2.81Å; L246-S250 PolarHBondContact O-OG 3.41Å; S250-R252 PolarHBondContact O-N 3.38Å; S250-H255 PolarHBondContact O-CE1 3.03Å |
| 251 | P | 86.8 | Confident | 86.4 | Confident | 118 Ų | 118 | 62.7 Ų | 62.7 | 77% | 0.766 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -14.9 | -178.4 | -18.5 | 32.2 | 0 | 0 | 0 | 114.6 | L249 | L249-P251 VanDerWaalsContact C-CD 3.41Š|
| 252 | R | 82.6 | Confident | 86.2 | Confident | 79 Ų | 79 | 63.3 Ų | 63.3 | 30% | 0.298 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | -20 | -167.8 | -60 | -169.6 | 63.4 | -156.9 | -11.2 | 113.6 | I218 T219 V221 A222 L249 S250 | I218-R252 PolarHBondContact O-NH1 3.1Å; T219-R252 PolarHBondContact O-NH1 3.29Å; V221-R252 PolarHBondContact O-NH1 2.99Å; V221-R252 PolarHBondContact O-NH2 3.24Å; A222-R252 PolarHBondContact O-NH2 3.41Å; L249-R252 PolarHBondContact O-N 3.1Å; S250-R252 PolarHBondContact O-N 3.38Å |
| 253 | L | 85.3 | Confident | 86 | Confident | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.068 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -85.9 | 139.5 | -178.5 | -68.4 | 171 | 0 | 0 | 0 | 110.8 | C227 Y228 L231 L246 L249 H255 | C227-L253 HydrophobicContact CB-CD2 4.02Å; Y228-L253 HydrophobicContact CD1-CD2 3.84Å; Y228-L253 HydrophobicContact CE1-CD2 3.43Å; Y228-L253 VanDerWaalsContact CE1-CD2 3.43Å; L231-L253 HydrophobicContact CD1-CD1 4.04Å; L231-L253 HydrophobicContact CD1-CD2 4.22Å; L246-L253 HydrophobicContact CD2-CD1 4.02Å; L249-L253 HydrophobicContact CB-CD1 3.43Å; L249-L253 VanDerWaalsContact CB-CD1 3.43Å; L249-L253 HydrophobicContact CB-CG 3.86Å; L249-L253 HydrophobicContact CD1-CD1 4.26Å; L249-L253 HydrophobicContact CG-CD1 4.5Å; L249-L253 WeakPolarHBondContact O-CG 3.18Å; L249-L253 PolarHBondContact O-N 3.42Å; L253-H255 PolarHBondContact O-N 3.01Å |
| 254 | D | 87.1 | Confident | 85.9 | Confident | 80 Ų | 80 | 64.4 Ų | 64.4 | 43% | 0.428 | 34% | 0.34 | S | S | . | . | trans | -72.4 | 111.5 | 165.1 | -178.3 | -18.6 | 0 | 0 | 0 | 108.5 | Y228 T256 W257 T258 | Y228-D254 PolarHBondContact OH-N 3.02Å; D254-T256 VanDerWaalsContact C-N 3.29Å; D254-T256 PolarHBondContact O-N 3.34Å; D254-T256 WeakPolarHBondContact OD1-CB 3.46Å; D254-T256 PolarHBondContact OD1-N 3.05Å; D254-T256 PolarHBondContact OD1-OG1 3.36Å; D254-W257 HydrophobicContact CB-CB 4Å; D254-W257 PolarHBondContact O-N 2.85Å; D254-W257 PolarHBondContact OD1-N 3.48Å; D254-T258 WeakPolarHBondContact O-CB 3.36Å; D254-T258 PolarHBondContact O-N 3.34Å; D254-T258 PolarHBondContact O-OG1 2.99Å | ||
| 255 | H | 86.2 | Confident | 85.8 | Confident | 127 Ų | 127 | 62 Ų | 62 | 59% | 0.588 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -61.4 | -37.4 | -179.2 | -56.4 | -46 | 0 | 0 | 0 | 112.3 | S250 L253 T258 V259 | S250-H255 PolarHBondContact O-CE1 3.03Å; L253-H255 PolarHBondContact O-N 3.01Å; H255-T258 PolarHBondContact O-N 2.95Å; H255-V259 WeakPolarHBondContact O-CG2 3.4Å; H255-V259 PolarHBondContact O-N 2.99Å |
| 256 | T | 84.7 | Confident | 85.6 | Confident | 111 Ų | 111 | 63.8 Ų | 63.8 | 68% | 0.681 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -64.6 | -45.9 | 178.9 | 11.9 | 0 | 0 | 0 | 0 | 111.2 | D254 S260 | D254-T256 VanDerWaalsContact C-N 3.29Å; D254-T256 PolarHBondContact O-N 3.34Å; D254-T256 WeakPolarHBondContact OD1-CB 3.46Å; D254-T256 PolarHBondContact OD1-N 3.05Å; D254-T256 PolarHBondContact OD1-OG1 3.36Å; T256-S260 WeakPolarHBondContact O-CB 3.44Å; T256-S260 PolarHBondContact O-N 3.18Å |
| 257 | W | 84.9 | Confident | 85.4 | Confident | 107 Ų | 107 | 62.2 Ų | 62.2 | 41% | 0.405 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -64.5 | -46.6 | 175.6 | -170.7 | 94.8 | 0 | 0 | 0 | 111.5 | Y228 D254 V259 S260 F261 | Y228-W257 HydrophobicContact CD1-CD2 4.36Å; Y228-W257 AromaticContact CD1-CE3 3.36Å; Y228-W257 HydrophobicContact CD1-CE3 3.36Å; Y228-W257 AromaticContact CD1-CH2 3.72Å; Y228-W257 HydrophobicContact CD1-CH2 3.72Å; Y228-W257 AromaticContact CD1-CZ3 3Å; Y228-W257 HydrophobicContact CD1-CZ3 3Å; Y228-W257 HydrophobicContact CD2-CE3 4.42Å; Y228-W257 HydrophobicContact CD2-CH2 4.23Å; Y228-W257 HydrophobicContact CD2-CZ3 4.19Å; Y228-W257 AromaticContact CE1-CD2 3.98Å; Y228-W257 HydrophobicContact CE1-CD2 3.98Å; Y228-W257 AromaticContact CE1-CE3 3.13Å; Y228-W257 HydrophobicContact CE1-CE3 3.13Å; Y228-W257 HydrophobicContact CE1-CH2 4.32Å; Y228-W257 AromaticContact CE1-CZ3 3.37Å; Y228-W257 HydrophobicContact CE1-CZ3 3.37Å; Y228-W257 HydrophobicContact CE2-CD2 4.4Å; Y228-W257 HydrophobicContact CE2-CE3 4.25Å; Y228-W257 HydrophobicContact CE2-CZ3 4.48Å; Y228-W257 HydrophobicContact CG-CE3 4.01Å; Y228-W257 AromaticContact CG-CH2 3.66Å; Y228-W257 HydrophobicContact CG-CH2 3.66Å; Y228-W257 HydrophobicContact CG-CZ2 4.39Å; Y228-W257 AromaticContact CG-CZ3 3.46Å; Y228-W257 HydrophobicContact CG-CZ3 3.46Å; Y228-W257 VanDerWaalsContact CG-CZ3 3.46Å; Y228-W257 AromaticContact CZ-CE3 3.63Å; D254-W257 HydrophobicContact CB-CB 4Å; D254-W257 PolarHBondContact O-N 2.85Å; D254-W257 PolarHBondContact OD1-N 3.48Å; W257-V259 VanDerWaalsContact C-N 3.33Å; W257-V259 PolarHBondContact O-N 2.88Å; W257-S260 WeakPolarHBondContact O-CB 3.44Å; W257-S260 PolarHBondContact O-N 3.09Å; W257-S260 VanDerWaalsContact O-N 3.09Å; W257-F261 HydrophobicContact CD2-CB 4.44Å; W257-F261 HydrophobicContact CE3-CB 3.85Å; W257-F261 HydrophobicContact CE3-CG 4.44Å; W257-F261 HydrophobicContact CH2-CB 3.82Å; W257-F261 AromaticContact CH2-CD2 3.5Å; W257-F261 HydrophobicContact CH2-CD2 3.5Å; W257-F261 VanDerWaalsContact CH2-CD2 3.5Å; W257-F261 HydrophobicContact CH2-CE2 4.22Å; W257-F261 AromaticContact CH2-CG 3.73Å; W257-F261 HydrophobicContact CH2-CG 3.73Å; W257-F261 HydrophobicContact CZ2-CB 4.42Å; W257-F261 HydrophobicContact CZ2-CD2 4.27Å; W257-F261 HydrophobicContact CZ3-CB 3.47Å; W257-F261 VanDerWaalsContact CZ3-CB 3.47Å; W257-F261 HydrophobicContact CZ3-CD1 4.21Å; W257-F261 AromaticContact CZ3-CD2 3.89Å; W257-F261 HydrophobicContact CZ3-CD2 3.89Å; W257-F261 AromaticContact CZ3-CG 3.59Å; W257-F261 HydrophobicContact CZ3-CG 3.59Å; W257-F261 WeakPolarHBondContact O-CB 3.34Å; W257-F261 PolarHBondContact O-N 3.18Å |
| 258 | T | 83.8 | Confident | 85.2 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 8% | 0.08 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.5 | -43.3 | -176.2 | -56.6 | 0 | 0 | 0 | 0 | 111.6 | L246 D254 H255 F261 F262 | L246-T258 HydrophobicContact CD2-CG2 4.28Å; D254-T258 WeakPolarHBondContact O-CB 3.36Å; D254-T258 PolarHBondContact O-N 3.34Å; D254-T258 PolarHBondContact O-OG1 2.99Å; H255-T258 PolarHBondContact O-N 2.95Å; T258-F261 PolarHBondContact O-N 2.95Å; T258-F262 HydrophobicContact CG2-CD2 3.81Å; T258-F262 HydrophobicContact CG2-CE2 3.53Å; T258-F262 WeakPolarHBondContact O-CD2 3.46Å; T258-F262 PolarHBondContact O-N 3.14Å; T258-F262 VanDerWaalsContact O-N 3.08Å |
| 259 | V | 84.6 | Confident | 84.9 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 35% | 0.345 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -70.1 | -37.5 | 177.4 | -176.3 | 0 | 0 | 0 | 0 | 111.6 | H255 W257 F261 S263 | H255-V259 WeakPolarHBondContact O-CG2 3.4Å; H255-V259 PolarHBondContact O-N 2.99Å; W257-V259 VanDerWaalsContact C-N 3.33Å; W257-V259 PolarHBondContact O-N 2.88Å; V259-F261 VanDerWaalsContact C-N 3.33Å; V259-S263 VanDerWaalsContact O-CB 3.25Å; V259-S263 WeakPolarHBondContact O-CB 3.3Å; V259-S263 PolarHBondContact O-N 3.26Å; V259-S263 PolarHBondContact O-OG 3.17Å |
| 260 | S | 83.8 | Confident | 84.8 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 174.4 | -175 | 0 | 0 | 0 | 0 | 111.7 | T256 W257 S263 K264 | T256-S260 WeakPolarHBondContact O-CB 3.44Å; T256-S260 PolarHBondContact O-N 3.18Å; W257-S260 WeakPolarHBondContact O-CB 3.44Å; W257-S260 PolarHBondContact O-N 3.09Å; W257-S260 VanDerWaalsContact O-N 3.09Å; S260-S263 PolarHBondContact O-N 3Å; S260-K264 WeakPolarHBondContact O-CB 3.31Å; S260-K264 PolarHBondContact O-N 2.91Å |
| 261 | F | 85.3 | Confident | 84.7 | Confident | 36 Ų | 36 | 60.5 Ų | 60.5 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -58 | -55.2 | 175.6 | 169.9 | -97.8 | 0 | 0 | 0 | 112.1 | Q232 W257 T258 V259 S263 K264 D265 | Q232-F261 HydrophobicContact CB-CZ 4.27Å; W257-F261 HydrophobicContact CD2-CB 4.44Å; W257-F261 HydrophobicContact CE3-CB 3.85Å; W257-F261 HydrophobicContact CE3-CG 4.44Å; W257-F261 HydrophobicContact CH2-CB 3.82Å; W257-F261 AromaticContact CH2-CD2 3.5Å; W257-F261 HydrophobicContact CH2-CD2 3.5Å; W257-F261 VanDerWaalsContact CH2-CD2 3.5Å; W257-F261 HydrophobicContact CH2-CE2 4.22Å; W257-F261 AromaticContact CH2-CG 3.73Å; W257-F261 HydrophobicContact CH2-CG 3.73Å; W257-F261 HydrophobicContact CZ2-CB 4.42Å; W257-F261 HydrophobicContact CZ2-CD2 4.27Å; W257-F261 HydrophobicContact CZ3-CB 3.47Å; W257-F261 VanDerWaalsContact CZ3-CB 3.47Å; W257-F261 HydrophobicContact CZ3-CD1 4.21Å; W257-F261 AromaticContact CZ3-CD2 3.89Å; W257-F261 HydrophobicContact CZ3-CD2 3.89Å; W257-F261 AromaticContact CZ3-CG 3.59Å; W257-F261 HydrophobicContact CZ3-CG 3.59Å; W257-F261 WeakPolarHBondContact O-CB 3.34Å; W257-F261 PolarHBondContact O-N 3.18Å; T258-F261 PolarHBondContact O-N 2.95Å; V259-F261 VanDerWaalsContact C-N 3.33Å; F261-S263 VanDerWaalsContact C-N 3.31Å; F261-S263 PolarHBondContact O-N 2.86Å; F261-K264 PolarHBondContact O-N 3.15Å; F261-D265 PolarHBondContact O-N 3.32Å |
| 262 | F | 85.4 | Confident | 84.6 | Confident | 58 Ų | 58 | 61.7 Ų | 61.7 | 25% | 0.254 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -36 | 177.7 | -75.5 | -63.6 | 0 | 0 | 0 | 112.9 | L235 I242 L246 T258 A266 | L235-F262 HydrophobicContact CD1-CE1 4.4Å; L235-F262 HydrophobicContact CD2-CD1 4.14Å; L235-F262 HydrophobicContact CD2-CE1 4.01Å; I242-F262 HydrophobicContact CD1-CE1 3.64Å; I242-F262 HydrophobicContact CD1-CZ 3.69Å; I242-F262 HydrophobicContact CG1-CZ 4.41Å; L246-F262 HydrophobicContact CD1-CE2 4.19Å; L246-F262 HydrophobicContact CD1-CZ 4.21Å; L246-F262 HydrophobicContact CD2-CE2 4.21Å; L246-F262 HydrophobicContact CD2-CZ 4.46Å; T258-F262 HydrophobicContact CG2-CD2 3.81Å; T258-F262 HydrophobicContact CG2-CE2 3.53Å; T258-F262 WeakPolarHBondContact O-CD2 3.46Å; T258-F262 PolarHBondContact O-N 3.14Å; T258-F262 VanDerWaalsContact O-N 3.08Å; F262-A266 WeakPolarHBondContact O-CB 3.25Å; F262-A266 PolarHBondContact O-N 2.98Å |
| 263 | S | 84.6 | Confident | 84.7 | Confident | 7 Ų | 7 | 61.3 Ų | 61.3 | 5% | 0.049 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65 | -44.1 | 178.5 | -59.3 | 0 | 0 | 0 | 0 | 111 | V259 S260 F261 M267 | V259-S263 VanDerWaalsContact O-CB 3.25Å; V259-S263 WeakPolarHBondContact O-CB 3.3Å; V259-S263 PolarHBondContact O-N 3.26Å; V259-S263 PolarHBondContact O-OG 3.17Å; S260-S263 PolarHBondContact O-N 3Å; F261-S263 VanDerWaalsContact C-N 3.31Å; F261-S263 PolarHBondContact O-N 2.86Å; S263-M267 VanDerWaalsContact O-CG 3.22Å; S263-M267 WeakPolarHBondContact O-CG 3.3Å; S263-M267 PolarHBondContact O-N 3.42Å; S263-M267 VanDerWaalsContact O-N 3.12Å |
| 264 | K | 85.2 | Confident | 84.5 | Confident | 131 Ų | 131 | 70.9 Ų | 70.9 | 57% | 0.57 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -64.8 | -45.7 | 177.8 | -177.5 | -177.5 | 174.7 | -172.1 | 0 | 111.5 | S260 F261 M267 Q268 | S260-K264 WeakPolarHBondContact O-CB 3.31Å; S260-K264 PolarHBondContact O-N 2.91Å; F261-K264 PolarHBondContact O-N 3.15Å; K264-M267 WeakPolarHBondContact O-CB 3.26Å; K264-M267 PolarHBondContact O-N 3.29Å; K264-Q268 WeakPolarHBondContact O-CG 3.41Å; K264-Q268 PolarHBondContact O-N 2.97Å; K264-Q268 VanDerWaalsContact O-N 3.12Å |
| 265 | D | 85.1 | Confident | 84.5 | Confident | 18 Ų | 18 | 70.5 Ų | 70.5 | 10% | 0.096 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.4 | -42.8 | -179.5 | -158.9 | 51.5 | 0 | 0 | 0 | 111 | L235 F261 M267 Q268 H269 | L235-D265 WeakPolarHBondContact CD2-OD2 3.45Å; F261-D265 PolarHBondContact O-N 3.32Å; D265-M267 VanDerWaalsContact C-N 3.29Å; D265-M267 PolarHBondContact O-N 3.08Å; D265-Q268 PolarHBondContact O-N 3.4Å; D265-H269 VanDerWaalsContact CG-NE2 3.28Å; D265-H269 PolarHBondContact O-CD2 3.34Å; D265-H269 PolarHBondContact O-N 3.13Å; D265-H269 IonicContact OD1-CD2 3.25Å; D265-H269 IonicContact OD1-NE2 3.25Å; D265-H269 PolarHBondContact OD1-NE2 3.41Å; D265-H269 IonicContact OD2-CD2 2.62Å; D265-H269 PolarHBondContact OD2-CD2 2.61Å; D265-H269 VanDerWaalsContact OD2-CD2 3.25Å; D265-H269 IonicContact OD2-NE2 3.84Å; D265-H269 PolarHBondContact OD2-NE2 3.22Å |
| 266 | A | 84.3 | Confident | 84.4 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | F262 A270 L282 | F262-A266 WeakPolarHBondContact O-CB 3.25Å; F262-A266 PolarHBondContact O-N 2.98Å; A266-A270 VanDerWaalsContact O-CB 3.26Å; A266-A270 WeakPolarHBondContact O-CB 3.33Å; A266-A270 PolarHBondContact O-N 3.33Å; A266-L282 HydrophobicContact CB-CD1 3.88Å |
| 267 | M | 83.8 | Confident | 84.4 | Confident | 7 Ų | 7 | 66.9 Ų | 66.9 | 3% | 0.034 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -39.8 | 174.3 | -70 | 172.1 | -150.6 | 0 | 0 | 112.3 | S263 K264 D265 A271 L282 F286 C294 A297 C298 | S263-M267 VanDerWaalsContact O-CG 3.22Å; S263-M267 WeakPolarHBondContact O-CG 3.3Å; S263-M267 PolarHBondContact O-N 3.42Å; S263-M267 VanDerWaalsContact O-N 3.12Å; K264-M267 WeakPolarHBondContact O-CB 3.26Å; K264-M267 PolarHBondContact O-N 3.29Å; D265-M267 VanDerWaalsContact C-N 3.29Å; D265-M267 PolarHBondContact O-N 3.08Å; M267-A271 PolarHBondContact O-N 2.95Å; M267-L282 HydrophobicContact CG-CD2 4.34Å; M267-F286 HydrophobicContact CE-CD2 4.45Å; M267-F286 HydrophobicContact CE-CE1 4.16Å; M267-F286 HydrophobicContact CE-CE2 3.65Å; M267-F286 HydrophobicContact CE-CZ 3.49Å; M267-F286 VanDerWaalsContact CE-CZ 3.49Å; M267-F286 HydrophobicContact CG-CE2 4.18Å; M267-C294 HydrophobicContact CE-CB 3.62Å; M267-C294 WeakPolarHBondContact CE-O 3.33Å; M267-A297 HydrophobicContact CE-CB 4.18Å; M267-A297 HydrophobicContact SD-CB 3.69Å; M267-C298 WeakPolarHBondContact CE-SG 3.36Å; M267-C298 HydrophobicContact CG-CB 4.46Å; M267-C298 WeakPolarHBondContact CG-SG 3.37Å; M267-C298 HydrophobicContact SD-CB 4.4Å |
| 268 | Q | 84.5 | Confident | 84.5 | Confident | 87 Ų | 87 | 65.4 Ų | 65.4 | 41% | 0.407 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.7 | -48.5 | 178.4 | -69.4 | 179.7 | -55.7 | 0 | 0 | 111.1 | K264 D265 A270 A271 E272 | K264-Q268 WeakPolarHBondContact O-CG 3.41Å; K264-Q268 PolarHBondContact O-N 2.97Å; K264-Q268 VanDerWaalsContact O-N 3.12Å; D265-Q268 PolarHBondContact O-N 3.4Å; Q268-A270 VanDerWaalsContact C-N 3.29Å; Q268-A270 PolarHBondContact O-N 3.44Å; Q268-A271 WeakPolarHBondContact O-CB 3.21Å; Q268-A271 PolarHBondContact O-N 3.09Å; Q268-A271 VanDerWaalsContact O-N 3.14Å; Q268-E272 WeakPolarHBondContact O-CG 3.44Å; Q268-E272 PolarHBondContact O-N 2.94Å |
| 269 | H | 83.2 | Confident | 84.6 | Confident | 83 Ų | 83 | 64.9 Ų | 64.9 | 38% | 0.384 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.8 | -35.9 | 176.4 | -69.1 | -59.8 | 0 | 0 | 0 | 112.6 | D265 E272 S273 | D265-H269 VanDerWaalsContact CG-NE2 3.28Å; D265-H269 PolarHBondContact O-CD2 3.34Å; D265-H269 PolarHBondContact O-N 3.13Å; D265-H269 IonicContact OD1-CD2 3.25Å; D265-H269 IonicContact OD1-NE2 3.25Å; D265-H269 PolarHBondContact OD1-NE2 3.41Å; D265-H269 IonicContact OD2-CD2 2.62Å; D265-H269 PolarHBondContact OD2-CD2 2.61Å; D265-H269 VanDerWaalsContact OD2-CD2 3.25Å; D265-H269 IonicContact OD2-NE2 3.84Å; D265-H269 PolarHBondContact OD2-NE2 3.22Å; H269-E272 PolarHBondContact O-N 3.45Å; H269-S273 WeakPolarHBondContact O-CB 3.45Å; H269-S273 PolarHBondContact O-N 2.94Å; H269-S273 PolarHBondContact O-OG 3.07Å |
| 270 | A | 84 | Confident | 84.6 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.008 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -65.3 | -42.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A266 Q268 S273 L278 L282 | A266-A270 VanDerWaalsContact O-CB 3.26Å; A266-A270 WeakPolarHBondContact O-CB 3.33Å; A266-A270 PolarHBondContact O-N 3.33Å; Q268-A270 VanDerWaalsContact C-N 3.29Å; Q268-A270 PolarHBondContact O-N 3.44Å; A270-S273 PolarHBondContact O-N 3.41Å; A270-L278 HydrophobicContact CB-CD2 3.73Å; A270-L282 HydrophobicContact CB-CD1 4.16Å |
| 271 | A | 84 | Confident | 84.7 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 21% | 0.207 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.6 | -42.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | M267 Q268 S273 R274 | M267-A271 PolarHBondContact O-N 2.95Å; Q268-A271 WeakPolarHBondContact O-CB 3.21Å; Q268-A271 PolarHBondContact O-N 3.09Å; Q268-A271 VanDerWaalsContact O-N 3.14Å; A271-S273 VanDerWaalsContact C-N 3.33Å; A271-S273 PolarHBondContact O-N 3.15Å; A271-R274 PolarHBondContact O-N 3.28Å |
| 272 | E | 84.8 | Confident | 84.7 | Confident | 142 Ų | 142 | 68 Ų | 68 | 66% | 0.664 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -65.9 | -34.6 | 177.4 | -72.3 | 179.4 | -173.4 | 0 | 0 | 112.8 | Q268 H269 R274 | Q268-E272 WeakPolarHBondContact O-CG 3.44Å; Q268-E272 PolarHBondContact O-N 2.94Å; H269-E272 PolarHBondContact O-N 3.45Å; E272-R274 PolarHBondContact O-N 3.34Å |
| 273 | S | 83.7 | Confident | 84.6 | Confident | 72 Ų | 72 | 65.2 Ų | 65.2 | 50% | 0.503 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.6 | -21.6 | 179 | -63.9 | 0 | 0 | 0 | 0 | 113.3 | H269 A270 A271 D275 | H269-S273 WeakPolarHBondContact O-CB 3.45Å; H269-S273 PolarHBondContact O-N 2.94Å; H269-S273 PolarHBondContact O-OG 3.07Å; A270-S273 PolarHBondContact O-N 3.41Å; A271-S273 VanDerWaalsContact C-N 3.33Å; A271-S273 PolarHBondContact O-N 3.15Å; S273-D275 PolarHBondContact O-N 2.99Å |
| 274 | R | 82.1 | Confident | 84.7 | Confident | 213 Ų | 213 | 69.3 Ų | 69.3 | 80% | 0.804 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 14.8 | -175.8 | -63.1 | -175.3 | 179 | -175.8 | -0.1 | 115 | A271 E272 | A271-R274 PolarHBondContact O-N 3.28Å; E272-R274 PolarHBondContact O-N 3.34Å |
| 275 | D | 86.4 | Confident | 84.7 | Confident | 72 Ų | 72 | 68.5 Ų | 68.5 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | trans | -93.1 | 110.1 | 177.6 | -175.3 | 1.7 | 0 | 0 | 0 | 110.2 | S273 E277 L278 A279 | S273-D275 PolarHBondContact O-N 2.99Å; D275-E277 VanDerWaalsContact C-N 3.26Å; D275-E277 PolarHBondContact O-N 3.47Å; D275-E277 PolarHBondContact OD1-N 3.31Å; D275-L278 HydrophobicContact CB-CB 4.05Å; D275-L278 PolarHBondContact O-N 3.38Å; D275-A279 PolarHBondContact O-N 3.06Å | ||
| 276 | A | 83.8 | Confident | 84.7 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 33% | 0.331 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64 | -31.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q280 | A276-Q280 WeakPolarHBondContact O-CB 3.37Å; A276-Q280 PolarHBondContact O-N 3.23Å |
| 277 | E | 86.2 | Confident | 84.7 | Confident | 123 Ų | 123 | 66.5 Ų | 66.5 | 58% | 0.575 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -71.1 | -37.6 | 179.3 | -64.8 | -171.3 | -177.7 | 0 | 0 | 111.6 | D275 Q280 K281 | D275-E277 VanDerWaalsContact C-N 3.26Å; D275-E277 PolarHBondContact O-N 3.47Å; D275-E277 PolarHBondContact OD1-N 3.31Å; E277-Q280 PolarHBondContact O-N 2.97Å; E277-K281 VanDerWaalsContact O-CG 3.31Å; E277-K281 WeakPolarHBondContact O-CG 3.26Å; E277-K281 PolarHBondContact O-N 3.26Å |
| 278 | L | 85.8 | Confident | 84.7 | Confident | 76 Ų | 76 | 72.4 Ų | 72.4 | 40% | 0.398 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -69.3 | -43.9 | 178.9 | -168.4 | 139.1 | 0 | 0 | 0 | 111.2 | A270 D275 Q280 K281 L282 | A270-L278 HydrophobicContact CB-CD2 3.73Å; D275-L278 HydrophobicContact CB-CB 4.05Å; D275-L278 PolarHBondContact O-N 3.38Å; L278-Q280 VanDerWaalsContact C-N 3.28Å; L278-Q280 PolarHBondContact O-N 3.14Å; L278-K281 PolarHBondContact O-N 3.22Å; L278-L282 WeakPolarHBondContact O-CB 3.48Å; L278-L282 PolarHBondContact O-N 2.76Å |
| 279 | A | 85.1 | Confident | 84.6 | Confident | 2 Ų | 2 | 73.8 Ų | 73.8 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.4 | -39.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | D275 L283 C302 L305 L306 | D275-A279 PolarHBondContact O-N 3.06Å; A279-L283 WeakPolarHBondContact O-CB 3.27Å; A279-L283 PolarHBondContact O-N 3.45Å; A279-C302 HydrophobicContact CB-CB 4.39Å; A279-L305 HydrophobicContact CB-CB 4.44Å; A279-L305 HydrophobicContact CB-CD2 4.16Å; A279-L306 HydrophobicContact CB-CD2 4.13Å |
| 280 | Q | 84.6 | Confident | 84.3 | Confident | 72 Ų | 72 | 72.2 Ų | 72.2 | 34% | 0.336 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65.5 | -46.5 | 175.6 | 177.1 | 171.9 | 12.5 | 0 | 0 | 112.6 | A276 E277 L278 L282 L283 Q284 M310 | A276-Q280 WeakPolarHBondContact O-CB 3.37Å; A276-Q280 PolarHBondContact O-N 3.23Å; E277-Q280 PolarHBondContact O-N 2.97Å; L278-Q280 VanDerWaalsContact C-N 3.28Å; L278-Q280 PolarHBondContact O-N 3.14Å; Q280-L282 VanDerWaalsContact C-N 3.31Å; Q280-L282 PolarHBondContact O-N 3.44Å; Q280-L283 PolarHBondContact O-N 2.99Å; Q280-Q284 WeakPolarHBondContact O-CB 3.29Å; Q280-Q284 PolarHBondContact O-N 3.46Å; Q280-M310 HydrophobicContact CB-SD 4.29Å; Q280-M310 HydrophobicContact CG-SD 3.54Å; Q280-M310 VanDerWaalsContact CG-SD 3.54Å; Q280-M310 PolarHBondContact NE2-SD 3.35Å |
| 281 | K | 85.9 | Confident | 84 | Confident | 133 Ų | 133 | 75.6 Ų | 75.6 | 58% | 0.578 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.3 | -42.7 | 177.6 | -74.6 | 168.7 | -173.4 | 162.6 | 0 | 111.5 | E277 L278 Q284 W285 | E277-K281 VanDerWaalsContact O-CG 3.31Å; E277-K281 WeakPolarHBondContact O-CG 3.26Å; E277-K281 PolarHBondContact O-N 3.26Å; L278-K281 PolarHBondContact O-N 3.22Å; K281-Q284 PolarHBondContact O-N 3.2Å; K281-W285 PolarHBondContact O-N 2.95Å |
| 282 | L | 85.7 | Confident | 83.8 | Confident | 28 Ų | 28 | 82.3 Ų | 82.3 | 15% | 0.147 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 177 | 174.2 | 142.9 | 0 | 0 | 0 | 111.6 | A266 M267 A270 L278 Q280 W285 F286 | A266-L282 HydrophobicContact CB-CD1 3.88Å; M267-L282 HydrophobicContact CG-CD2 4.34Å; A270-L282 HydrophobicContact CB-CD1 4.16Å; L278-L282 WeakPolarHBondContact O-CB 3.48Å; L278-L282 PolarHBondContact O-N 2.76Å; Q280-L282 VanDerWaalsContact C-N 3.31Å; Q280-L282 PolarHBondContact O-N 3.44Å; L282-W285 PolarHBondContact O-N 3.35Å; L282-F286 HydrophobicContact CD1-CE2 4.39Å; L282-F286 HydrophobicContact CD2-CD2 3.8Å; L282-F286 HydrophobicContact CD2-CE2 3.45Å; L282-F286 VanDerWaalsContact CD2-CE2 3.45Å; L282-F286 HydrophobicContact CG-CD2 4.12Å; L282-F286 HydrophobicContact CG-CE2 3.71Å; L282-F286 WeakPolarHBondContact O-CD2 3.48Å; L282-F286 PolarHBondContact O-N 3.26Å; L282-F286 VanDerWaalsContact O-N 3.1Å |
| 283 | L | 84.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 83.6 Ų | 83.6 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -61.8 | -46.9 | 174.2 | -163.4 | 75.7 | 0 | 0 | 0 | 111.3 | A279 Q280 W285 F286 L287 F295 C298 L299 L306 M310 L314 | A279-L283 WeakPolarHBondContact O-CB 3.27Å; A279-L283 PolarHBondContact O-N 3.45Å; Q280-L283 PolarHBondContact O-N 2.99Å; L283-W285 VanDerWaalsContact C-N 3.31Å; L283-W285 PolarHBondContact O-N 2.98Å; L283-F286 PolarHBondContact O-N 3.25Å; L283-F286 VanDerWaalsContact O-N 3.15Å; L283-L287 HydrophobicContact CG-CD1 3.97Å; L283-L287 WeakPolarHBondContact O-CD1 3.12Å; L283-L287 PolarHBondContact O-N 3.24Å; L283-L287 VanDerWaalsContact O-N 3.14Å; L283-F295 HydrophobicContact CD1-CD2 3.52Å; L283-F295 HydrophobicContact CD1-CE2 3.85Å; L283-F295 HydrophobicContact CD2-CD2 4.37Å; L283-F295 HydrophobicContact CD2-CE2 3.9Å; L283-F295 HydrophobicContact CG-CD2 3.91Å; L283-F295 HydrophobicContact CG-CE2 3.95Å; L283-C298 HydrophobicContact CD1-CB 3.42Å; L283-C298 VanDerWaalsContact CD1-CB 3.42Å; L283-L299 HydrophobicContact CD1-CD2 4.26Å; L283-L299 HydrophobicContact CD2-CD2 4.2Å; L283-L306 HydrophobicContact CD2-CD2 4.48Å; L283-M310 HydrophobicContact CD2-CE 3.74Å; L283-L314 HydrophobicContact CD2-CD1 4.21Å |
| 284 | Q | 85.8 | Confident | 83.3 | Confident | 92 Ų | 92 | 81.2 Ų | 81.2 | 43% | 0.43 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -57.9 | -44.5 | 177.9 | -176.5 | 177 | -14.2 | 0 | 0 | 111.5 | Q280 K281 F286 L287 E288 | Q280-Q284 WeakPolarHBondContact O-CB 3.29Å; Q280-Q284 PolarHBondContact O-N 3.46Å; K281-Q284 PolarHBondContact O-N 3.2Å; Q284-F286 VanDerWaalsContact C-N 3.34Å; Q284-F286 PolarHBondContact O-N 3.13Å; Q284-L287 PolarHBondContact O-N 2.87Å; Q284-L287 VanDerWaalsContact O-N 3.17Å; Q284-E288 WeakPolarHBondContact CG-OE1 3.44Å; Q284-E288 PolarHBondContact NE2-OE1 3.3Å; Q284-E288 WeakPolarHBondContact O-CG 3.5Å; Q284-E288 PolarHBondContact O-N 3.44Å |
| 285 | W | 86.2 | Confident | 83.3 | Confident | 115 Ų | 115 | 71.1 Ų | 71.1 | 44% | 0.436 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 175.7 | 179 | 77 | 0 | 0 | 0 | 112.5 | K281 L282 L283 L287 E288 E289 | K281-W285 PolarHBondContact O-N 2.95Å; L282-W285 PolarHBondContact O-N 3.35Å; L283-W285 VanDerWaalsContact C-N 3.31Å; L283-W285 PolarHBondContact O-N 2.98Å; W285-L287 VanDerWaalsContact C-N 3.32Å; W285-L287 PolarHBondContact O-N 3.28Å; W285-E288 PolarHBondContact O-N 3.35Å; W285-E289 HydrophobicContact CD2-CG 4.33Å; W285-E289 HydrophobicContact CH2-CG 4.41Å; W285-E289 HydrophobicContact CZ2-CG 3.78Å; W285-E289 PolarHBondContact O-N 3.48Å |
| 286 | F | 85.3 | Confident | 83.1 | Confident | 2 Ų | 2 | 68.6 Ų | 68.6 | 1% | 0.009 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.4 | -33.7 | 176.5 | -78.3 | -58.6 | 0 | 0 | 0 | 113.8 | M267 L282 L283 Q284 G290 K291 C294 C298 | M267-F286 HydrophobicContact CE-CD2 4.45Å; M267-F286 HydrophobicContact CE-CE1 4.16Å; M267-F286 HydrophobicContact CE-CE2 3.65Å; M267-F286 HydrophobicContact CE-CZ 3.49Å; M267-F286 VanDerWaalsContact CE-CZ 3.49Å; M267-F286 HydrophobicContact CG-CE2 4.18Å; L282-F286 HydrophobicContact CD1-CE2 4.39Å; L282-F286 HydrophobicContact CD2-CD2 3.8Å; L282-F286 HydrophobicContact CD2-CE2 3.45Å; L282-F286 VanDerWaalsContact CD2-CE2 3.45Å; L282-F286 HydrophobicContact CG-CD2 4.12Å; L282-F286 HydrophobicContact CG-CE2 3.71Å; L282-F286 WeakPolarHBondContact O-CD2 3.48Å; L282-F286 PolarHBondContact O-N 3.26Å; L282-F286 VanDerWaalsContact O-N 3.1Å; L283-F286 PolarHBondContact O-N 3.25Å; L283-F286 VanDerWaalsContact O-N 3.15Å; Q284-F286 VanDerWaalsContact C-N 3.34Å; Q284-F286 PolarHBondContact O-N 3.13Å; F286-G290 PolarHBondContact O-N 2.88Å; F286-K291 HydrophobicContact CD1-CB 4.48Å; F286-K291 PolarHBondContact O-N 3.19Å; F286-K291 VanDerWaalsContact O-N 3.09Å; F286-C294 HydrophobicContact CD1-CB 3.43Å; F286-C294 VanDerWaalsContact CD1-CB 3.43Å; F286-C294 HydrophobicContact CD2-CB 4.48Å; F286-C294 HydrophobicContact CE1-CB 3.54Å; F286-C294 HydrophobicContact CG-CB 3.94Å; F286-C294 HydrophobicContact CZ-CB 4.15Å; F286-C298 WeakPolarHBondContact CD2-SG 3.47Å; F286-C298 WeakPolarHBondContact CE2-SG 3.34Å |
| 287 | L | 83.8 | Confident | 82.9 | Confident | 12 Ų | 12 | 68.7 Ų | 68.7 | 6% | 0.063 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.5 | -37.8 | 174.4 | -79.7 | 93.8 | 0 | 0 | 0 | 112.3 | L283 Q284 W285 G290 F295 L314 H318 L320 | L283-L287 HydrophobicContact CG-CD1 3.97Å; L283-L287 WeakPolarHBondContact O-CD1 3.12Å; L283-L287 PolarHBondContact O-N 3.24Å; L283-L287 VanDerWaalsContact O-N 3.14Å; Q284-L287 PolarHBondContact O-N 2.87Å; Q284-L287 VanDerWaalsContact O-N 3.17Å; W285-L287 VanDerWaalsContact C-N 3.32Å; W285-L287 PolarHBondContact O-N 3.28Å; L287-G290 PolarHBondContact O-N 3.33Å; L287-G290 VanDerWaalsContact O-N 3.13Å; L287-F295 HydrophobicContact CD1-CD2 3.33Å; L287-F295 HydrophobicContact CD1-CE2 3.6Å; L287-F295 HydrophobicContact CD1-CG 4.35Å; L287-F295 HydrophobicContact CD2-CE2 4.44Å; L287-F295 HydrophobicContact CG-CD2 4.08Å; L287-F295 HydrophobicContact CG-CE2 4.37Å; L287-L314 HydrophobicContact CD2-CB 4.09Å; L287-H318 HydrophobicContact CD2-CB 3.77Å; L287-H318 WeakPolarHBondContact CD2-CD2 3.4Å; L287-H318 VanDerWaalsContact CD2-CG 3.47Å; L287-L320 HydrophobicContact CD2-CD1 4.31Å; L287-L320 HydrophobicContact CG-CD1 4.44Å |
| 288 | E | 84.1 | Confident | 82.6 | Confident | 130 Ų | 130 | 62.9 Ų | 62.9 | 61% | 0.607 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -64.8 | -41 | 176.8 | -72.3 | 173.9 | -171.1 | 0 | 0 | 111.7 | Q284 W285 G290 | Q284-E288 WeakPolarHBondContact CG-OE1 3.44Å; Q284-E288 PolarHBondContact NE2-OE1 3.3Å; Q284-E288 WeakPolarHBondContact O-CG 3.5Å; Q284-E288 PolarHBondContact O-N 3.44Å; W285-E288 PolarHBondContact O-N 3.35Å; E288-G290 PolarHBondContact O-N 3.1Å |
| 289 | E | 81 | Confident | 82.5 | Confident | 117 Ų | 117 | 59.3 Ų | 59.3 | 55% | 0.547 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | -7.8 | 172.9 | -78.1 | -75.3 | 154.7 | 0 | 0 | 113.5 | W285 K291 | W285-E289 HydrophobicContact CD2-CG 4.33Å; W285-E289 HydrophobicContact CH2-CG 4.41Å; W285-E289 HydrophobicContact CZ2-CG 3.78Å; W285-E289 PolarHBondContact O-N 3.48Å; E289-K291 VanDerWaalsContact C-N 3.3Å; E289-K291 HydrophobicContact CB-CG 4.47Å; E289-K291 PolarHBondContact O-N 3.43Å |
| 290 | G | 77.8 | Confident | 82.4 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 51% | 0.505 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 15.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | F286 L287 E288 R292 | F286-G290 PolarHBondContact O-N 2.88Å; L287-G290 PolarHBondContact O-N 3.33Å; L287-G290 VanDerWaalsContact O-N 3.13Å; E288-G290 PolarHBondContact O-N 3.1Å; G290-R292 PolarHBondContact O-N 2.82Å; G290-R292 VanDerWaalsContact O-N 3.11Å |
| 291 | K | 78.3 | Confident | 82.2 | Confident | 72 Ų | 72 | 64.8 Ų | 64.8 | 31% | 0.313 | 32% | 0.317 | S | S | . | . | trans | -82.8 | 87.6 | -179.1 | -65.9 | -157.5 | 179.7 | -167.8 | 0 | 112.2 | F286 E289 E293 C294 F295 | F286-K291 HydrophobicContact CD1-CB 4.48Å; F286-K291 PolarHBondContact O-N 3.19Å; F286-K291 VanDerWaalsContact O-N 3.09Å; E289-K291 VanDerWaalsContact C-N 3.3Å; E289-K291 HydrophobicContact CB-CG 4.47Å; E289-K291 PolarHBondContact O-N 3.43Å; K291-E293 PolarHBondContact O-N 3.06Å; K291-C294 HydrophobicContact CB-CB 4.01Å; K291-C294 PolarHBondContact O-N 3.36Å; K291-F295 PolarHBondContact O-N 3.18Å | ||
| 292 | R | 80.1 | Confident | 81.9 | Confident | 167 Ų | 167 | 58.5 Ų | 58.5 | 63% | 0.63 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -59.9 | -38.9 | -176.6 | -54 | -175.4 | -175.8 | 160.3 | 0.9 | 113.7 | G290 F295 A296 L320 L323 | G290-R292 PolarHBondContact O-N 2.82Å; G290-R292 VanDerWaalsContact O-N 3.11Å; R292-F295 WeakPolarHBondContact O-CB 3.26Å; R292-F295 PolarHBondContact O-N 3.33Å; R292-A296 PolarHBondContact O-N 3.2Å; R292-L320 HydrophobicContact CB-CD2 4.21Å; R292-L320 HydrophobicContact CG-CD2 3.7Å; R292-L323 HydrophobicContact CB-CD2 4.11Å; R292-L323 WeakPolarHBondContact O-CD2 3.29Å |
| 293 | E | 78.2 | Confident | 81.7 | Confident | 169 Ų | 169 | 59 Ų | 59 | 79% | 0.79 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.3 | -39.8 | -178.7 | -61.8 | -179.9 | 177.2 | 0 | 0 | 112 | K291 F295 A296 A297 | K291-E293 PolarHBondContact O-N 3.06Å; E293-F295 VanDerWaalsContact C-N 3.28Å; E293-F295 PolarHBondContact O-N 3.07Å; E293-A296 PolarHBondContact O-N 3.17Å; E293-A297 PolarHBondContact O-N 3.36Å; E293-A297 VanDerWaalsContact O-N 3.13Å |
| 294 | C | 79.8 | Confident | 81.4 | Confident | 21 Ų | 21 | 65.9 Ų | 65.9 | 14% | 0.142 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -64.7 | -34.8 | 176 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | M267 F286 K291 A297 C298 | M267-C294 HydrophobicContact CE-CB 3.62Å; M267-C294 WeakPolarHBondContact CE-O 3.33Å; F286-C294 HydrophobicContact CD1-CB 3.43Å; F286-C294 VanDerWaalsContact CD1-CB 3.43Å; F286-C294 HydrophobicContact CD2-CB 4.48Å; F286-C294 HydrophobicContact CE1-CB 3.54Å; F286-C294 HydrophobicContact CG-CB 3.94Å; F286-C294 HydrophobicContact CZ-CB 4.15Å; K291-C294 HydrophobicContact CB-CB 4.01Å; K291-C294 PolarHBondContact O-N 3.36Å; C294-A297 PolarHBondContact O-N 3.15Å; C294-C298 WeakPolarHBondContact O-CB 3.21Å; C294-C298 PolarHBondContact O-N 3.36Å; C294-C298 PolarHBondContact O-SG 3.4Å |
| 295 | F | 81.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 63 Ų | 63 | 0% | 0.004 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.4 | -51.1 | 174.8 | 172.5 | -104.3 | 0 | 0 | 0 | 112.1 | L283 L287 K291 R292 E293 A297 C298 L299 V311 A315 L320 L323 A324 | L283-F295 HydrophobicContact CD1-CD2 3.52Å; L283-F295 HydrophobicContact CD1-CE2 3.85Å; L283-F295 HydrophobicContact CD2-CD2 4.37Å; L283-F295 HydrophobicContact CD2-CE2 3.9Å; L283-F295 HydrophobicContact CG-CD2 3.91Å; L283-F295 HydrophobicContact CG-CE2 3.95Å; L287-F295 HydrophobicContact CD1-CD2 3.33Å; L287-F295 HydrophobicContact CD1-CE2 3.6Å; L287-F295 HydrophobicContact CD1-CG 4.35Å; L287-F295 HydrophobicContact CD2-CE2 4.44Å; L287-F295 HydrophobicContact CG-CD2 4.08Å; L287-F295 HydrophobicContact CG-CE2 4.37Å; K291-F295 PolarHBondContact O-N 3.18Å; R292-F295 WeakPolarHBondContact O-CB 3.26Å; R292-F295 PolarHBondContact O-N 3.33Å; E293-F295 VanDerWaalsContact C-N 3.28Å; E293-F295 PolarHBondContact O-N 3.07Å; F295-A297 VanDerWaalsContact C-N 3.33Å; F295-A297 PolarHBondContact O-N 2.97Å; F295-C298 WeakPolarHBondContact O-CB 3.22Å; F295-C298 PolarHBondContact O-N 3.46Å; F295-L299 HydrophobicContact CD1-CD1 4.18Å; F295-L299 HydrophobicContact CE1-CD1 3.6Å; F295-L299 HydrophobicContact CE1-CG 4.42Å; F295-L299 HydrophobicContact CE2-CD1 4.29Å; F295-L299 HydrophobicContact CE2-CD2 4.34Å; F295-L299 HydrophobicContact CE2-CG 4.37Å; F295-L299 HydrophobicContact CZ-CD1 3.67Å; F295-L299 HydrophobicContact CZ-CD2 4.39Å; F295-L299 HydrophobicContact CZ-CG 4.24Å; F295-L299 WeakPolarHBondContact O-CG 3.45Å; F295-L299 PolarHBondContact O-N 2.88Å; F295-L299 VanDerWaalsContact O-N 3.1Å; F295-V311 HydrophobicContact CZ-CG1 4.49Å; F295-A315 HydrophobicContact CZ-CB 4.22Å; F295-L320 HydrophobicContact CD1-CB 4.42Å; F295-L320 HydrophobicContact CD1-CD1 4.3Å; F295-L320 HydrophobicContact CE1-CB 4.17Å; F295-L323 HydrophobicContact CD1-CB 4.49Å; F295-A324 HydrophobicContact CE1-CB 4.15Å; F295-A324 HydrophobicContact CZ-CB 4.48Å |
| 296 | A | 81.1 | Confident | 81 | Confident | 20 Ų | 20 | 58.1 Ų | 58.1 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | R292 E293 C298 L299 F300 L323 | R292-A296 PolarHBondContact O-N 3.2Å; E293-A296 PolarHBondContact O-N 3.17Å; A296-C298 VanDerWaalsContact C-N 3.34Å; A296-C298 PolarHBondContact O-N 3.25Å; A296-L299 PolarHBondContact O-N 2.67Å; A296-F300 VanDerWaalsContact O-CD2 3.3Å; A296-F300 WeakPolarHBondContact O-CD2 3.34Å; A296-F300 PolarHBondContact O-N 3.18Å; A296-L323 HydrophobicContact CB-CB 4.42Å; A296-L323 HydrophobicContact CB-CD2 3.93Å |
| 297 | A | 80.8 | Confident | 80.8 | Confident | 42 Ų | 42 | 66.5 Ų | 66.5 | 35% | 0.347 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -62.5 | -38.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | M267 E293 C294 F295 F300 T301 | M267-A297 HydrophobicContact CE-CB 4.18Å; M267-A297 HydrophobicContact SD-CB 3.69Å; E293-A297 PolarHBondContact O-N 3.36Å; E293-A297 VanDerWaalsContact O-N 3.13Å; C294-A297 PolarHBondContact O-N 3.15Å; F295-A297 VanDerWaalsContact C-N 3.33Å; F295-A297 PolarHBondContact O-N 2.97Å; A297-F300 PolarHBondContact O-N 3Å; A297-T301 WeakPolarHBondContact O-CB 3.41Å; A297-T301 WeakPolarHBondContact O-CG2 3.47Å; A297-T301 PolarHBondContact O-N 3.49Å; A297-T301 PolarHBondContact O-OG1 3.33Å |
| 298 | C | 79.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 1% | 0.007 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -44.3 | 173.7 | -69.8 | 0 | 0 | 0 | 0 | 112 | M267 L283 F286 C294 F295 A296 F300 T301 C302 | M267-C298 WeakPolarHBondContact CE-SG 3.36Å; M267-C298 HydrophobicContact CG-CB 4.46Å; M267-C298 WeakPolarHBondContact CG-SG 3.37Å; M267-C298 HydrophobicContact SD-CB 4.4Å; L283-C298 HydrophobicContact CD1-CB 3.42Å; L283-C298 VanDerWaalsContact CD1-CB 3.42Å; F286-C298 WeakPolarHBondContact CD2-SG 3.47Å; F286-C298 WeakPolarHBondContact CE2-SG 3.34Å; C294-C298 WeakPolarHBondContact O-CB 3.21Å; C294-C298 PolarHBondContact O-N 3.36Å; C294-C298 PolarHBondContact O-SG 3.4Å; F295-C298 WeakPolarHBondContact O-CB 3.22Å; F295-C298 PolarHBondContact O-N 3.46Å; A296-C298 VanDerWaalsContact C-N 3.34Å; A296-C298 PolarHBondContact O-N 3.25Å; C298-F300 VanDerWaalsContact C-N 3.26Å; C298-F300 PolarHBondContact O-N 3.42Å; C298-T301 WeakPolarHBondContact CA-OG1 3.48Å; C298-T301 PolarHBondContact O-N 3.14Å; C298-T301 PolarHBondContact O-OG1 3.3Å; C298-C302 WeakPolarHBondContact O-CB 2.88Å; C298-C302 PolarHBondContact O-N 3.43Å |
| 299 | L | 82.8 | Confident | 80.6 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.7 | -36.1 | -179.5 | -67.5 | -178.9 | 0 | 0 | 0 | 112.2 | L283 F295 A296 Y303 L306 V311 A324 Y327 | L283-L299 HydrophobicContact CD1-CD2 4.26Å; L283-L299 HydrophobicContact CD2-CD2 4.2Å; F295-L299 HydrophobicContact CD1-CD1 4.18Å; F295-L299 HydrophobicContact CE1-CD1 3.6Å; F295-L299 HydrophobicContact CE1-CG 4.42Å; F295-L299 HydrophobicContact CE2-CD1 4.29Å; F295-L299 HydrophobicContact CE2-CD2 4.34Å; F295-L299 HydrophobicContact CE2-CG 4.37Å; F295-L299 HydrophobicContact CZ-CD1 3.67Å; F295-L299 HydrophobicContact CZ-CD2 4.39Å; F295-L299 HydrophobicContact CZ-CG 4.24Å; F295-L299 WeakPolarHBondContact O-CG 3.45Å; F295-L299 PolarHBondContact O-N 2.88Å; F295-L299 VanDerWaalsContact O-N 3.1Å; A296-L299 PolarHBondContact O-N 2.67Å; L299-Y303 WeakPolarHBondContact O-CA 3.13Å; L299-Y303 PolarHBondContact O-N 3.11Å; L299-L306 HydrophobicContact CD2-CD1 3.82Å; L299-V311 HydrophobicContact CD1-CG1 4.02Å; L299-V311 HydrophobicContact CD2-CB 4.29Å; L299-V311 HydrophobicContact CD2-CG1 3.5Å; L299-V311 HydrophobicContact CD2-CG2 3.71Å; L299-V311 HydrophobicContact CG-CG1 4.42Å; L299-A324 HydrophobicContact CD1-CB 3.87Å; L299-Y327 HydrophobicContact CB-CD2 4.12Å; L299-Y327 HydrophobicContact CB-CG 4.29Å; L299-Y327 WeakPolarHBondContact O-CD2 3.49Å |
| 300 | F | 82.6 | Confident | 80.7 | Confident | 126 Ų | 126 | 63.2 Ų | 63.2 | 55% | 0.553 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -75.1 | -43.2 | 176.6 | -83.9 | -70.6 | 0 | 0 | 0 | 113.1 | A296 A297 C298 P326 | A296-F300 VanDerWaalsContact O-CD2 3.3Å; A296-F300 WeakPolarHBondContact O-CD2 3.34Å; A296-F300 PolarHBondContact O-N 3.18Å; A297-F300 PolarHBondContact O-N 3Å; C298-F300 VanDerWaalsContact C-N 3.26Å; C298-F300 PolarHBondContact O-N 3.42Å; F300-P326 HydrophobicContact CE2-CB 4.14Å; F300-P326 HydrophobicContact CZ-CB 3.58Å |
| 301 | T | 80.6 | Confident | 81.1 | Confident | 63 Ų | 63 | 60.9 Ų | 60.9 | 39% | 0.387 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -73.4 | -38.8 | -176.5 | 47.3 | 0 | 0 | 0 | 0 | 112.5 | A297 C298 | A297-T301 WeakPolarHBondContact O-CB 3.41Å; A297-T301 WeakPolarHBondContact O-CG2 3.47Å; A297-T301 PolarHBondContact O-N 3.49Å; A297-T301 PolarHBondContact O-OG1 3.33Å; C298-T301 WeakPolarHBondContact CA-OG1 3.48Å; C298-T301 PolarHBondContact O-N 3.14Å; C298-T301 PolarHBondContact O-OG1 3.3Å |
| 302 | C | 81.3 | Confident | 81.3 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.007 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 26.5 | -179.5 | -62.2 | 0 | 0 | 0 | 0 | 112.9 | A279 C298 D304 L305 L306 | A279-C302 HydrophobicContact CB-CB 4.39Å; C298-C302 WeakPolarHBondContact O-CB 2.88Å; C298-C302 PolarHBondContact O-N 3.43Å; C302-D304 VanDerWaalsContact C-N 3.27Å; C302-D304 PolarHBondContact O-N 2.67Å; C302-L305 PolarHBondContact O-N 2.8Å; C302-L306 HydrophobicContact CB-CD1 3.83Å; C302-L306 HydrophobicContact CB-CG 4.01Å; C302-L306 WeakPolarHBondContact O-CG 3.38Å; C302-L306 PolarHBondContact O-N 3.07Å |
| 303 | Y | 79.6 | Confident | 81.4 | Confident | 39 Ų | 39 | 58.1 Ų | 58.1 | 15% | 0.153 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -42.4 | -173.7 | 173.8 | -93.1 | 0 | 0 | 0 | 113.5 | L299 L305 Y327 Q330 V331 E334 | L299-Y303 WeakPolarHBondContact O-CA 3.13Å; L299-Y303 PolarHBondContact O-N 3.11Å; Y303-L305 VanDerWaalsContact C-N 3.35Å; Y303-L305 PolarHBondContact O-N 3.5Å; Y303-Y327 AromaticContact CD2-CD2 3.57Å; Y303-Y327 HydrophobicContact CD2-CD2 3.57Å; Y303-Y327 AromaticContact CD2-CE2 3.43Å; Y303-Y327 HydrophobicContact CD2-CE2 3.43Å; Y303-Y327 VanDerWaalsContact CD2-CE2 3.43Å; Y303-Y327 HydrophobicContact CE2-CD2 4.13Å; Y303-Y327 AromaticContact CE2-CE2 3.97Å; Y303-Y327 HydrophobicContact CE2-CE2 3.97Å; Y303-Y327 HydrophobicContact CG-CE2 4.25Å; Y303-Q330 HydrophobicContact CE2-CB 4.09Å; Y303-Q330 HydrophobicContact CE2-CG 3.8Å; Y303-V331 HydrophobicContact CD2-CG2 4.46Å; Y303-V331 HydrophobicContact CE2-CG2 3.53Å; Y303-V331 WeakPolarHBondContact OH-CA 3.44Å; Y303-E334 WeakPolarHBondContact CE1-OE2 3.3Å; Y303-E334 PolarHBondContact OH-OE2 3.44Å |
| 304 | D | 79.2 | Confident | 81.7 | Confident | 144 Ų | 144 | 51.3 Ų | 51.3 | 77% | 0.77 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -23.6 | -176.7 | -65.8 | -34.6 | 0 | 0 | 0 | 113.9 | C302 | C302-D304 VanDerWaalsContact C-N 3.27Å; C302-D304 PolarHBondContact O-N 2.67Å |
| 305 | L | 81.9 | Confident | 81.9 | Confident | 31 Ų | 31 | 50.3 Ų | 50.3 | 16% | 0.162 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -26.8 | -173.9 | -77.5 | 68.9 | 0 | 0 | 0 | 112.3 | A279 C302 Y303 | A279-L305 HydrophobicContact CB-CB 4.44Å; A279-L305 HydrophobicContact CB-CD2 4.16Å; C302-L305 PolarHBondContact O-N 2.8Å; Y303-L305 VanDerWaalsContact C-N 3.35Å; Y303-L305 PolarHBondContact O-N 3.5Å |
| 306 | L | 82.2 | Confident | 82.1 | Confident | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -86.7 | 133 | -170.2 | -67.7 | 171.8 | 0 | 0 | 0 | 111.8 | A279 L283 L299 C302 V311 Y327 | A279-L306 HydrophobicContact CB-CD2 4.13Å; L283-L306 HydrophobicContact CD2-CD2 4.48Å; L299-L306 HydrophobicContact CD2-CD1 3.82Å; C302-L306 HydrophobicContact CB-CD1 3.83Å; C302-L306 HydrophobicContact CB-CG 4.01Å; C302-L306 WeakPolarHBondContact O-CG 3.38Å; C302-L306 PolarHBondContact O-N 3.07Å; L306-V311 HydrophobicContact CB-CG2 4.11Å; L306-Y327 PolarHBondContact O-OH 3.26Å |
| 307 | R | 80.3 | Confident | 82.2 | Confident | 178 Ų | 178 | 66.1 Ų | 66.1 | 67% | 0.672 | 31% | 0.311 | S | S | * | . | trans | -81.7 | 126.7 | 175.8 | -74.8 | -172.9 | -103.1 | 169.4 | -5.2 | 110.8 | D309 M310 V311 | R307-D309 VanDerWaalsContact C-N 3.29Å; R307-D309 PolarHBondContact O-N 3.5Å; R307-M310 PolarHBondContact O-N 3.4Å; R307-V311 PolarHBondContact O-N 3.44Å | ||
| 308 | P | 81.7 | Confident | 82.2 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 20% | 0.195 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -55.4 | -39.1 | -178.1 | -26.8 | 34.4 | 0 | 0 | 0 | 114.3 | M310 V311 L312 F328 V331 | P308-M310 VanDerWaalsContact C-N 3.34Å; P308-M310 PolarHBondContact O-N 3.11Å; P308-V311 PolarHBondContact O-N 3.46Å; P308-L312 WeakPolarHBondContact O-CB 3.46Å; P308-L312 PolarHBondContact O-N 3.35Å; P308-F328 HydrophobicContact CB-CE1 4.27Å; P308-V331 HydrophobicContact CB-CG1 4.38Å; P308-V331 HydrophobicContact CG-CG1 3.79Å; P308-V331 HydrophobicContact CG-CG2 4.38Å |
| 309 | D | 82.2 | Confident | 82.3 | Confident | 134 Ų | 134 | 75.1 Ų | 75.1 | 72% | 0.717 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.5 | -43.4 | -177.9 | -50 | -22 | 0 | 0 | 0 | 111.8 | R307 L312 E313 | R307-D309 VanDerWaalsContact C-N 3.29Å; R307-D309 PolarHBondContact O-N 3.5Å; D309-L312 PolarHBondContact O-N 3.26Å; D309-E313 PolarHBondContact O-N 2.88Å; D309-E313 VanDerWaalsContact O-N 3.08Å |
| 310 | M | 83.9 | Confident | 82.3 | Confident | 27 Ų | 27 | 75.8 Ų | 75.8 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -69.9 | -41.5 | 179.8 | -173.5 | -120.2 | 74.9 | 0 | 0 | 111 | Q280 L283 R307 P308 L312 E313 L314 | Q280-M310 HydrophobicContact CB-SD 4.29Å; Q280-M310 HydrophobicContact CG-SD 3.54Å; Q280-M310 VanDerWaalsContact CG-SD 3.54Å; Q280-M310 PolarHBondContact NE2-SD 3.35Å; L283-M310 HydrophobicContact CD2-CE 3.74Å; R307-M310 PolarHBondContact O-N 3.4Å; P308-M310 VanDerWaalsContact C-N 3.34Å; P308-M310 PolarHBondContact O-N 3.11Å; M310-L312 VanDerWaalsContact C-N 3.26Å; M310-L312 PolarHBondContact O-N 2.77Å; M310-E313 PolarHBondContact O-N 2.83Å; M310-L314 HydrophobicContact CE-CB 4.47Å; M310-L314 HydrophobicContact CE-CD1 3.25Å; M310-L314 HydrophobicContact CE-CG 3.81Å; M310-L314 PolarHBondContact O-N 3.07Å; M310-L314 HydrophobicContact SD-CD1 4.18Å |
| 311 | V | 84.6 | Confident | 82.2 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -39.5 | 177.2 | 172.9 | 0 | 0 | 0 | 0 | 110.2 | F295 L299 L306 R307 P308 L314 A315 A324 Y327 F328 | F295-V311 HydrophobicContact CZ-CG1 4.49Å; L299-V311 HydrophobicContact CD1-CG1 4.02Å; L299-V311 HydrophobicContact CD2-CB 4.29Å; L299-V311 HydrophobicContact CD2-CG1 3.5Å; L299-V311 HydrophobicContact CD2-CG2 3.71Å; L299-V311 HydrophobicContact CG-CG1 4.42Å; L306-V311 HydrophobicContact CB-CG2 4.11Å; R307-V311 PolarHBondContact O-N 3.44Å; P308-V311 PolarHBondContact O-N 3.46Å; V311-L314 PolarHBondContact O-N 3.49Å; V311-A315 WeakPolarHBondContact O-CB 3.34Å; V311-A315 PolarHBondContact O-N 3.33Å; V311-A324 HydrophobicContact CG1-CB 4.5Å; V311-Y327 HydrophobicContact CB-CE1 4.32Å; V311-Y327 HydrophobicContact CG1-CD1 4.23Å; V311-Y327 HydrophobicContact CG1-CE1 4.24Å; V311-Y327 HydrophobicContact CG2-CE1 4.34Å; V311-F328 HydrophobicContact CB-CZ 4.28Å; V311-F328 HydrophobicContact CG1-CE2 4.34Å; V311-F328 HydrophobicContact CG1-CZ 3.91Å |
| 312 | L | 82.8 | Confident | 82.2 | Confident | 90 Ų | 90 | 75.6 Ų | 75.6 | 47% | 0.471 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -66.2 | -43.5 | 178.9 | -171.9 | 66.5 | 0 | 0 | 0 | 111.3 | P308 D309 M310 A315 W316 F328 | P308-L312 WeakPolarHBondContact O-CB 3.46Å; P308-L312 PolarHBondContact O-N 3.35Å; D309-L312 PolarHBondContact O-N 3.26Å; M310-L312 VanDerWaalsContact C-N 3.26Å; M310-L312 PolarHBondContact O-N 2.77Å; L312-A315 PolarHBondContact O-N 3.09Å; L312-W316 VanDerWaalsContact O-CB 3.22Å; L312-W316 WeakPolarHBondContact O-CB 3.38Å; L312-W316 PolarHBondContact O-N 3.48Å; L312-F328 HydrophobicContact CB-CE1 4.11Å; L312-F328 HydrophobicContact CB-CZ 3.64Å; L312-F328 HydrophobicContact CD1-CE1 4.34Å; L312-F328 HydrophobicContact CD1-CE2 3.88Å; L312-F328 HydrophobicContact CD1-CZ 3.71Å; L312-F328 HydrophobicContact CG-CZ 4.28Å |
| 313 | E | 83.4 | Confident | 82.2 | Confident | 90 Ų | 90 | 78.5 Ų | 78.5 | 42% | 0.421 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -59.9 | -48.4 | 176 | -175.1 | -178.7 | -171.9 | 0 | 0 | 111.6 | D309 M310 W316 R317 | D309-E313 PolarHBondContact O-N 2.88Å; D309-E313 VanDerWaalsContact O-N 3.08Å; M310-E313 PolarHBondContact O-N 2.83Å; E313-W316 PolarHBondContact O-N 2.73Å; E313-R317 WeakPolarHBondContact O-CB 3.45Å; E313-R317 VanDerWaalsContact O-CG 3.28Å; E313-R317 WeakPolarHBondContact O-CG 3.18Å; E313-R317 PolarHBondContact O-N 3.46Å; E313-R317 IonicContact OE1-CZ 3.13Å; E313-R317 IonicContact OE1-NE 2.79Å; E313-R317 PolarHBondContact OE1-NE 3.48Å; E313-R317 IonicContact OE1-NH2 3.2Å; E313-R317 PolarHBondContact OE1-NH2 2.98Å |
| 314 | L | 82.8 | Confident | 82.4 | Confident | 26 Ų | 26 | 76.7 Ų | 76.7 | 14% | 0.136 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -66.2 | -43.7 | 178.8 | -67.9 | -171.3 | 0 | 0 | 0 | 112.2 | L283 L287 M310 V311 W316 R317 H318 | L283-L314 HydrophobicContact CD2-CD1 4.21Å; L287-L314 HydrophobicContact CD2-CB 4.09Å; M310-L314 HydrophobicContact CE-CB 4.47Å; M310-L314 HydrophobicContact CE-CD1 3.25Å; M310-L314 HydrophobicContact CE-CG 3.81Å; M310-L314 PolarHBondContact O-N 3.07Å; M310-L314 HydrophobicContact SD-CD1 4.18Å; V311-L314 PolarHBondContact O-N 3.49Å; L314-W316 VanDerWaalsContact C-N 3.3Å; L314-W316 PolarHBondContact O-N 3.32Å; L314-R317 PolarHBondContact O-N 2.95Å; L314-H318 PolarHBondContact O-CD2 3.46Å; L314-H318 PolarHBondContact O-N 3.38Å; L314-H318 VanDerWaalsContact O-N 3.14Å |
| 315 | A | 85.7 | Confident | 82.6 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63.1 | -37.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | F295 V311 L312 N319 L320 V321 A324 | F295-A315 HydrophobicContact CZ-CB 4.22Å; V311-A315 WeakPolarHBondContact O-CB 3.34Å; V311-A315 PolarHBondContact O-N 3.33Å; L312-A315 PolarHBondContact O-N 3.09Å; A315-N319 PolarHBondContact O-N 3Å; A315-N319 VanDerWaalsContact O-N 3.15Å; A315-L320 PolarHBondContact O-N 3.5Å; A315-V321 HydrophobicContact CB-CG2 4.45Å; A315-A324 HydrophobicContact CB-CB 3.98Å |
| 316 | W | 84.6 | Confident | 82.8 | Confident | 186 Ų | 186 | 75.1 Ų | 75.1 | 71% | 0.705 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -70.5 | -44.7 | 177.3 | -175.3 | 58.2 | 0 | 0 | 0 | 112.2 | L312 E313 L314 H318 N319 | L312-W316 VanDerWaalsContact O-CB 3.22Å; L312-W316 WeakPolarHBondContact O-CB 3.38Å; L312-W316 PolarHBondContact O-N 3.48Å; E313-W316 PolarHBondContact O-N 2.73Å; L314-W316 VanDerWaalsContact C-N 3.3Å; L314-W316 PolarHBondContact O-N 3.32Å; W316-H318 VanDerWaalsContact C-N 3.26Å; W316-H318 PolarHBondContact O-N 3.18Å; W316-N319 PolarHBondContact O-N 3.12Å |
| 317 | R | 83.8 | Confident | 82.9 | Confident | 168 Ų | 168 | 74.8 Ų | 74.8 | 63% | 0.634 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59.9 | -35.3 | 178 | -75.9 | 177.1 | 179.2 | -152 | 2.2 | 113.1 | E313 L314 | E313-R317 WeakPolarHBondContact O-CB 3.45Å; E313-R317 VanDerWaalsContact O-CG 3.28Å; E313-R317 WeakPolarHBondContact O-CG 3.18Å; E313-R317 PolarHBondContact O-N 3.46Å; E313-R317 IonicContact OE1-CZ 3.13Å; E313-R317 IonicContact OE1-NE 2.79Å; E313-R317 PolarHBondContact OE1-NE 3.48Å; E313-R317 IonicContact OE1-NH2 3.2Å; E313-R317 PolarHBondContact OE1-NH2 2.98Å; L314-R317 PolarHBondContact O-N 2.95Å |
| 318 | H | 80.2 | Confident | 83 | Confident | 91 Ų | 91 | 67.7 Ų | 67.7 | 42% | 0.421 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | 7.5 | -176.7 | -68.7 | -96.7 | 0 | 0 | 0 | 114.4 | L287 L314 W316 L320 | L287-H318 HydrophobicContact CD2-CB 3.77Å; L287-H318 WeakPolarHBondContact CD2-CD2 3.4Å; L287-H318 VanDerWaalsContact CD2-CG 3.47Å; L314-H318 PolarHBondContact O-CD2 3.46Å; L314-H318 PolarHBondContact O-N 3.38Å; L314-H318 VanDerWaalsContact O-N 3.14Å; W316-H318 VanDerWaalsContact C-N 3.26Å; W316-H318 PolarHBondContact O-N 3.18Å; H318-L320 VanDerWaalsContact C-N 3.32Å; H318-L320 HydrophobicContact CB-CD1 4.09Å; H318-L320 HydrophobicContact CB-CG 4.23Å; H318-L320 PolarHBondContact O-N 2.89Å |
| 319 | N | 82.9 | Confident | 83.2 | Confident | 140 Ų | 140 | 71.1 Ų | 71.1 | 75% | 0.749 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 40.9 | -176.3 | -71.6 | -29.3 | 0 | 0 | 0 | 114 | A315 W316 | A315-N319 PolarHBondContact O-N 3Å; A315-N319 VanDerWaalsContact O-N 3.15Å; W316-N319 PolarHBondContact O-N 3.12Å |
| 320 | L | 81.6 | Confident | 83.3 | Confident | 16 Ų | 16 | 68.3 Ų | 68.3 | 8% | 0.084 | 33% | 0.329 | C | S | . | . | trans | -112 | 20.5 | 179.4 | -62.1 | 173.8 | 0 | 0 | 0 | 113.1 | L287 R292 F295 A315 H318 D322 L323 A324 | L287-L320 HydrophobicContact CD2-CD1 4.31Å; L287-L320 HydrophobicContact CG-CD1 4.44Å; R292-L320 HydrophobicContact CB-CD2 4.21Å; R292-L320 HydrophobicContact CG-CD2 3.7Å; F295-L320 HydrophobicContact CD1-CB 4.42Å; F295-L320 HydrophobicContact CD1-CD1 4.3Å; F295-L320 HydrophobicContact CE1-CB 4.17Å; A315-L320 PolarHBondContact O-N 3.5Å; H318-L320 VanDerWaalsContact C-N 3.32Å; H318-L320 HydrophobicContact CB-CD1 4.09Å; H318-L320 HydrophobicContact CB-CG 4.23Å; H318-L320 PolarHBondContact O-N 2.89Å; L320-D322 PolarHBondContact O-N 3.13Å; L320-L323 PolarHBondContact O-N 3.31Å; L320-L323 VanDerWaalsContact O-N 3.13Å; L320-A324 PolarHBondContact O-N 3.32Å | ||
| 321 | V | 80.5 | Confident | 83.2 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 28% | 0.279 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.4 | -39.8 | -177.3 | -175.5 | 0 | 0 | 0 | 0 | 111.4 | A315 L323 A324 M325 | A315-V321 HydrophobicContact CB-CG2 4.45Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 3.36Å; V321-A324 PolarHBondContact O-N 2.89Å; V321-M325 WeakPolarHBondContact O-CG 3.32Å; V321-M325 PolarHBondContact O-N 3.41Å |
| 322 | D | 81.7 | Confident | 83.1 | Confident | 139 Ų | 139 | 73.6 Ų | 73.6 | 74% | 0.743 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.1 | -37.1 | 179.9 | -60.2 | -29.2 | 0 | 0 | 0 | 113 | L320 | L320-D322 PolarHBondContact O-N 3.13Å |
| 323 | L | 80.9 | Confident | 83.3 | Confident | 62 Ų | 62 | 77.9 Ų | 77.9 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -74.7 | -25.5 | 175.9 | -90 | 88.9 | 0 | 0 | 0 | 112.7 | R292 F295 A296 L320 V321 | R292-L323 HydrophobicContact CB-CD2 4.11Å; R292-L323 WeakPolarHBondContact O-CD2 3.29Å; F295-L323 HydrophobicContact CD1-CB 4.49Å; A296-L323 HydrophobicContact CB-CB 4.42Å; A296-L323 HydrophobicContact CB-CD2 3.93Å; L320-L323 PolarHBondContact O-N 3.31Å; L320-L323 VanDerWaalsContact O-N 3.13Å; V321-L323 VanDerWaalsContact C-N 3.32Å; V321-L323 PolarHBondContact O-N 3.36Å |
| 324 | A | 83.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -86.5 | -15 | 179 | 0 | 0 | 0 | 0 | 0 | 113.2 | F295 L299 V311 A315 L320 V321 Y327 F328 | F295-A324 HydrophobicContact CE1-CB 4.15Å; F295-A324 HydrophobicContact CZ-CB 4.48Å; L299-A324 HydrophobicContact CD1-CB 3.87Å; V311-A324 HydrophobicContact CG1-CB 4.5Å; A315-A324 HydrophobicContact CB-CB 3.98Å; L320-A324 PolarHBondContact O-N 3.32Å; V321-A324 PolarHBondContact O-N 2.89Å; A324-Y327 WeakPolarHBondContact O-CB 3.26Å; A324-Y327 PolarHBondContact O-N 3.04Å; A324-Y327 VanDerWaalsContact O-N 3.1Å; A324-F328 HydrophobicContact CB-CD2 4.05Å; A324-F328 HydrophobicContact CB-CE2 3.64Å; A324-F328 WeakPolarHBondContact O-CD2 3.47Å; A324-F328 PolarHBondContact O-N 3.36Å; A324-F328 VanDerWaalsContact O-N 3.16Å |
| 325 | M | 84.3 | Confident | 83.2 | Confident | 86 Ų | 86 | 82.3 Ų | 82.3 | 42% | 0.424 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -55.1 | -42.6 | -178.2 | -80 | -57.3 | -67.7 | 0 | 0 | 114.6 | V321 Y327 F328 I329 | V321-M325 WeakPolarHBondContact O-CG 3.32Å; V321-M325 PolarHBondContact O-N 3.41Å; M325-Y327 VanDerWaalsContact C-N 3.27Å; M325-Y327 PolarHBondContact O-N 2.92Å; M325-F328 PolarHBondContact O-N 3.27Å; M325-I329 VanDerWaalsContact O-CG1 3.28Å; M325-I329 WeakPolarHBondContact O-CG1 3.45Å; M325-I329 PolarHBondContact O-N 2.65Å |
| 326 | P | 84.7 | Confident | 83.2 | Confident | 57 Ų | 57 | 87.4 Ų | 87.4 | 37% | 0.37 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.5 | -37.6 | 176.4 | -26.4 | 36.4 | 0 | 0 | 0 | 113.5 | F300 Q330 | F300-P326 HydrophobicContact CE2-CB 4.14Å; F300-P326 HydrophobicContact CZ-CB 3.58Å; P326-Q330 PolarHBondContact O-N 3.15Å |
| 327 | Y | 84.1 | Confident | 83.3 | Confident | 5 Ų | 5 | 80.6 Ų | 80.6 | 2% | 0.02 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.9 | -49.4 | 174.6 | 169.3 | -92 | 0 | 0 | 0 | 110.8 | L299 Y303 L306 V311 A324 M325 I329 Q330 V331 | L299-Y327 HydrophobicContact CB-CD2 4.12Å; L299-Y327 HydrophobicContact CB-CG 4.29Å; L299-Y327 WeakPolarHBondContact O-CD2 3.49Å; Y303-Y327 AromaticContact CD2-CD2 3.57Å; Y303-Y327 HydrophobicContact CD2-CD2 3.57Å; Y303-Y327 AromaticContact CD2-CE2 3.43Å; Y303-Y327 HydrophobicContact CD2-CE2 3.43Å; Y303-Y327 VanDerWaalsContact CD2-CE2 3.43Å; Y303-Y327 HydrophobicContact CE2-CD2 4.13Å; Y303-Y327 AromaticContact CE2-CE2 3.97Å; Y303-Y327 HydrophobicContact CE2-CE2 3.97Å; Y303-Y327 HydrophobicContact CG-CE2 4.25Å; L306-Y327 PolarHBondContact O-OH 3.26Å; V311-Y327 HydrophobicContact CB-CE1 4.32Å; V311-Y327 HydrophobicContact CG1-CD1 4.23Å; V311-Y327 HydrophobicContact CG1-CE1 4.24Å; V311-Y327 HydrophobicContact CG2-CE1 4.34Å; A324-Y327 WeakPolarHBondContact O-CB 3.26Å; A324-Y327 PolarHBondContact O-N 3.04Å; A324-Y327 VanDerWaalsContact O-N 3.1Å; M325-Y327 VanDerWaalsContact C-N 3.27Å; M325-Y327 PolarHBondContact O-N 2.92Å; Y327-I329 VanDerWaalsContact C-N 3.35Å; Y327-I329 PolarHBondContact O-N 2.89Å; Y327-Q330 PolarHBondContact O-N 3.28Å; Y327-Q330 VanDerWaalsContact O-N 3.16Å; Y327-V331 HydrophobicContact CD1-CG2 4.15Å; Y327-V331 HydrophobicContact CD2-CG2 4.48Å; Y327-V331 HydrophobicContact CE1-CG2 3.73Å; Y327-V331 HydrophobicContact CE2-CG2 4.08Å; Y327-V331 HydrophobicContact CG-CG2 4.5Å; Y327-V331 WeakPolarHBondContact O-CG2 3.16Å; Y327-V331 PolarHBondContact O-N 2.91Å |
| 328 | F | 83.4 | Confident | 83.5 | Confident | 28 Ų | 28 | 78.4 Ų | 78.4 | 12% | 0.123 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -38.3 | 179.4 | -71.2 | -63.3 | 0 | 0 | 0 | 113.3 | P308 V311 L312 A324 M325 Q330 V331 M332 | P308-F328 HydrophobicContact CB-CE1 4.27Å; V311-F328 HydrophobicContact CB-CZ 4.28Å; V311-F328 HydrophobicContact CG1-CE2 4.34Å; V311-F328 HydrophobicContact CG1-CZ 3.91Å; L312-F328 HydrophobicContact CB-CE1 4.11Å; L312-F328 HydrophobicContact CB-CZ 3.64Å; L312-F328 HydrophobicContact CD1-CE1 4.34Å; L312-F328 HydrophobicContact CD1-CE2 3.88Å; L312-F328 HydrophobicContact CD1-CZ 3.71Å; L312-F328 HydrophobicContact CG-CZ 4.28Å; A324-F328 HydrophobicContact CB-CD2 4.05Å; A324-F328 HydrophobicContact CB-CE2 3.64Å; A324-F328 WeakPolarHBondContact O-CD2 3.47Å; A324-F328 PolarHBondContact O-N 3.36Å; A324-F328 VanDerWaalsContact O-N 3.16Å; M325-F328 PolarHBondContact O-N 3.27Å; F328-Q330 VanDerWaalsContact C-N 3.3Å; F328-Q330 PolarHBondContact O-N 2.98Å; F328-V331 PolarHBondContact O-N 2.94Å; F328-M332 WeakPolarHBondContact O-CB 3.49Å; F328-M332 VanDerWaalsContact O-CG 3.28Å; F328-M332 WeakPolarHBondContact O-CG 3.44Å; F328-M332 PolarHBondContact O-N 2.9Å |
| 329 | I | 85.4 | Confident | 83.9 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 52% | 0.523 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -59.8 | -43.8 | 175.5 | -68.9 | 164.6 | 0 | 0 | 0 | 110.4 | M325 Y327 R333 | M325-I329 VanDerWaalsContact O-CG1 3.28Å; M325-I329 WeakPolarHBondContact O-CG1 3.45Å; M325-I329 PolarHBondContact O-N 2.65Å; Y327-I329 VanDerWaalsContact C-N 3.35Å; Y327-I329 PolarHBondContact O-N 2.89Å; I329-R333 WeakPolarHBondContact O-CB 3.44Å; I329-R333 PolarHBondContact O-N 3.07Å |
| 330 | Q | 83.7 | Confident | 84.1 | Confident | 76 Ų | 76 | 75.4 Ų | 75.4 | 36% | 0.355 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -67 | -44.8 | 178.6 | -174.5 | 63.9 | 10.8 | 0 | 0 | 111.8 | Y303 P326 Y327 F328 M332 R333 E334 | Y303-Q330 HydrophobicContact CE2-CB 4.09Å; Y303-Q330 HydrophobicContact CE2-CG 3.8Å; P326-Q330 PolarHBondContact O-N 3.15Å; Y327-Q330 PolarHBondContact O-N 3.28Å; Y327-Q330 VanDerWaalsContact O-N 3.16Å; F328-Q330 VanDerWaalsContact C-N 3.3Å; F328-Q330 PolarHBondContact O-N 2.98Å; Q330-M332 PolarHBondContact O-N 3.36Å; Q330-R333 PolarHBondContact O-N 3.3Å; Q330-E334 PolarHBondContact O-N 2.93Å |
| 331 | V | 83.6 | Confident | 84.5 | Confident | 12 Ų | 12 | 81.2 Ų | 81.2 | 7% | 0.073 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -57 | -50.7 | 174.9 | 173 | 0 | 0 | 0 | 0 | 110.6 | Y303 P308 Y327 F328 R333 E334 Y335 | Y303-V331 HydrophobicContact CD2-CG2 4.46Å; Y303-V331 HydrophobicContact CE2-CG2 3.53Å; Y303-V331 WeakPolarHBondContact OH-CA 3.44Å; P308-V331 HydrophobicContact CB-CG1 4.38Å; P308-V331 HydrophobicContact CG-CG1 3.79Å; P308-V331 HydrophobicContact CG-CG2 4.38Å; Y327-V331 HydrophobicContact CD1-CG2 4.15Å; Y327-V331 HydrophobicContact CD2-CG2 4.48Å; Y327-V331 HydrophobicContact CE1-CG2 3.73Å; Y327-V331 HydrophobicContact CE2-CG2 4.08Å; Y327-V331 HydrophobicContact CG-CG2 4.5Å; Y327-V331 WeakPolarHBondContact O-CG2 3.16Å; Y327-V331 PolarHBondContact O-N 2.91Å; F328-V331 PolarHBondContact O-N 2.94Å; V331-R333 VanDerWaalsContact C-N 3.33Å; V331-R333 PolarHBondContact O-N 3.29Å; V331-E334 PolarHBondContact O-N 3.44Å; V331-Y335 HydrophobicContact CG1-CD2 3.52Å; V331-Y335 HydrophobicContact CG1-CE2 3.57Å; V331-Y335 VanDerWaalsContact O-CD2 3.31Å; V331-Y335 WeakPolarHBondContact O-CD2 3.49Å; V331-Y335 PolarHBondContact O-N 3.27Å |
| 332 | M | 82.4 | Confident | 84.7 | Confident | 125 Ų | 125 | 84.3 Ų | 84.3 | 62% | 0.616 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.7 | -41.5 | 179.5 | -72.6 | -172.1 | 78.8 | 0 | 0 | 112.1 | F328 Q330 E334 Y335 L336 | F328-M332 WeakPolarHBondContact O-CB 3.49Å; F328-M332 VanDerWaalsContact O-CG 3.28Å; F328-M332 WeakPolarHBondContact O-CG 3.44Å; F328-M332 PolarHBondContact O-N 2.9Å; Q330-M332 PolarHBondContact O-N 3.36Å; M332-E334 PolarHBondContact O-N 2.96Å; M332-Y335 PolarHBondContact O-N 3.13Å; M332-L336 WeakPolarHBondContact O-CB 3.21Å; M332-L336 VanDerWaalsContact O-CG 3.26Å; M332-L336 WeakPolarHBondContact O-CG 3.4Å; M332-L336 PolarHBondContact O-N 3.43Å |
| 333 | R | 85.3 | Confident | 85 | Confident | 180 Ų | 180 | 82 Ų | 82 | 68% | 0.679 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -61.4 | -44 | 176.2 | -177.1 | -178.8 | 178.2 | -173 | 0.1 | 111.7 | I329 Q330 V331 S337 | I329-R333 WeakPolarHBondContact O-CB 3.44Å; I329-R333 PolarHBondContact O-N 3.07Å; Q330-R333 PolarHBondContact O-N 3.3Å; V331-R333 VanDerWaalsContact C-N 3.33Å; V331-R333 PolarHBondContact O-N 3.29Å; R333-S337 WeakPolarHBondContact O-CB 3.39Å; R333-S337 PolarHBondContact O-N 3.45Å; R333-S337 PolarHBondContact O-OG 2.94Å |
| 334 | E | 84.1 | Confident | 85.3 | Confident | 59 Ų | 59 | 81.2 Ų | 81.2 | 28% | 0.276 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -66.6 | -44.4 | 177.5 | -83.4 | -172.3 | 178.1 | 0 | 0 | 112.5 | Y303 Q330 V331 M332 L336 S337 K338 | Y303-E334 WeakPolarHBondContact CE1-OE2 3.3Å; Y303-E334 PolarHBondContact OH-OE2 3.44Å; Q330-E334 PolarHBondContact O-N 2.93Å; V331-E334 PolarHBondContact O-N 3.44Å; M332-E334 PolarHBondContact O-N 2.96Å; E334-L336 PolarHBondContact O-N 3.32Å; E334-S337 WeakPolarHBondContact CA-OG 3.48Å; E334-S337 PolarHBondContact O-N 3.26Å; E334-S337 PolarHBondContact O-OG 2.89Å; E334-K338 WeakPolarHBondContact O-CB 3.32Å; E334-K338 WeakPolarHBondContact O-CG 3.38Å; E334-K338 PolarHBondContact O-N 2.96Å |
| 335 | Y | 79.9 | Confident | 85.5 | Confident | 151 Ų | 151 | 86.1 Ų | 86.1 | 59% | 0.592 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -57.3 | -50 | 175.7 | -93.2 | -80.6 | 0 | 0 | 0 | 111 | V331 M332 S337 K338 V339 | V331-Y335 HydrophobicContact CG1-CD2 3.52Å; V331-Y335 HydrophobicContact CG1-CE2 3.57Å; V331-Y335 VanDerWaalsContact O-CD2 3.31Å; V331-Y335 WeakPolarHBondContact O-CD2 3.49Å; V331-Y335 PolarHBondContact O-N 3.27Å; M332-Y335 PolarHBondContact O-N 3.13Å; Y335-S337 PolarHBondContact O-N 3.2Å; Y335-K338 PolarHBondContact O-N 3.4Å; Y335-V339 VanDerWaalsContact O-CG2 3.28Å; Y335-V339 WeakPolarHBondContact O-CG2 3.14Å; Y335-V339 PolarHBondContact O-N 2.66Å |
| 336 | L | 86.8 | Confident | 85.6 | Confident | 106 Ų | 106 | 86.7 Ų | 86.7 | 56% | 0.555 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -58.6 | -47 | 176.3 | -71.5 | 167.8 | 0 | 0 | 0 | 111.2 | M332 E334 K338 V339 D340 | M332-L336 WeakPolarHBondContact O-CB 3.21Å; M332-L336 VanDerWaalsContact O-CG 3.26Å; M332-L336 WeakPolarHBondContact O-CG 3.4Å; M332-L336 PolarHBondContact O-N 3.43Å; E334-L336 PolarHBondContact O-N 3.32Å; L336-K338 VanDerWaalsContact C-N 3.31Å; L336-K338 PolarHBondContact O-N 3.47Å; L336-V339 PolarHBondContact O-N 2.94Å; L336-D340 PolarHBondContact O-N 3.36Å |
| 337 | S | 87.4 | Confident | 85.5 | Confident | 43 Ų | 43 | 86.7 Ų | 86.7 | 30% | 0.301 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -64.7 | -31.6 | 178.8 | 76.9 | 0 | 0 | 0 | 0 | 114 | R333 E334 Y335 K341 | R333-S337 WeakPolarHBondContact O-CB 3.39Å; R333-S337 PolarHBondContact O-N 3.45Å; R333-S337 PolarHBondContact O-OG 2.94Å; E334-S337 WeakPolarHBondContact CA-OG 3.48Å; E334-S337 PolarHBondContact O-N 3.26Å; E334-S337 PolarHBondContact O-OG 2.89Å; Y335-S337 PolarHBondContact O-N 3.2Å; S337-K341 WeakPolarHBondContact O-CB 3.45Å; S337-K341 WeakPolarHBondContact O-CG 3.45Å; S337-K341 PolarHBondContact O-N 3.13Å; S337-K341 VanDerWaalsContact O-N 3.14Å |
| 338 | K | 87.2 | Confident | 85.4 | Confident | 122 Ų | 122 | 90.8 Ų | 90.8 | 53% | 0.53 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -73 | -41.6 | 175.8 | -77.5 | 174.6 | -177.4 | 167.3 | 0 | 110.2 | E334 Y335 L336 K341 L342 | E334-K338 WeakPolarHBondContact O-CB 3.32Å; E334-K338 WeakPolarHBondContact O-CG 3.38Å; E334-K338 PolarHBondContact O-N 2.96Å; Y335-K338 PolarHBondContact O-N 3.4Å; L336-K338 VanDerWaalsContact C-N 3.31Å; L336-K338 PolarHBondContact O-N 3.47Å; K338-K341 PolarHBondContact O-N 3.09Å; K338-L342 VanDerWaalsContact O-CG 3.27Å; K338-L342 WeakPolarHBondContact O-CG 3.47Å; K338-L342 PolarHBondContact O-N 3.27Å |
| 339 | V | 89.1 | Confident | 85.2 | Confident | 69 Ų | 69 | 97.8 Ų | 97.8 | 42% | 0.418 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -60.7 | -50 | 173.6 | 172.7 | 0 | 0 | 0 | 0 | 110.1 | Y335 L336 K341 L342 D343 | Y335-V339 VanDerWaalsContact O-CG2 3.28Å; Y335-V339 WeakPolarHBondContact O-CG2 3.14Å; Y335-V339 PolarHBondContact O-N 2.66Å; L336-V339 PolarHBondContact O-N 2.94Å; V339-K341 VanDerWaalsContact C-N 3.28Å; V339-K341 PolarHBondContact O-N 3.26Å; V339-L342 WeakPolarHBondContact O-CB 3.31Å; V339-L342 PolarHBondContact O-N 2.86Å; V339-D343 PolarHBondContact O-N 3.28Å |
| 340 | D | 87.4 | Confident | 85 | Confident | 100 Ų | 100 | 98.5 Ų | 98.5 | 54% | 0.535 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.1 | -40 | 177.8 | -66.5 | -22 | 0 | 0 | 0 | 112.4 | L336 A344 | L336-D340 PolarHBondContact O-N 3.36Å; D340-A344 WeakPolarHBondContact O-CB 3.43Å; D340-A344 PolarHBondContact O-N 3.44Å |
| 341 | K | 88.7 | Confident | 84.6 | Confident | 137 Ų | 137 | 100.8 Ų | 100.8 | 60% | 0.596 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.8 | -40.5 | 175.7 | -77 | 171.5 | -175.7 | 176.3 | 0 | 112.4 | S337 K338 V339 A344 L345 | S337-K341 WeakPolarHBondContact O-CB 3.45Å; S337-K341 WeakPolarHBondContact O-CG 3.45Å; S337-K341 PolarHBondContact O-N 3.13Å; S337-K341 VanDerWaalsContact O-N 3.14Å; K338-K341 PolarHBondContact O-N 3.09Å; V339-K341 VanDerWaalsContact C-N 3.28Å; V339-K341 PolarHBondContact O-N 3.26Å; K341-A344 PolarHBondContact O-N 3.11Å; K341-L345 WeakPolarHBondContact O-CB 3.25Å; K341-L345 VanDerWaalsContact O-CG 3.29Å; K341-L345 WeakPolarHBondContact O-CG 3.33Å; K341-L345 PolarHBondContact O-N 3.39Å |
| 342 | L | 85.4 | Confident | 84 | Confident | 112 Ų | 112 | 106.4 Ų | 106.4 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.3 | -42.3 | 176.9 | -71.2 | 170 | 0 | 0 | 0 | 110.6 | K338 V339 A344 L345 E346 | K338-L342 VanDerWaalsContact O-CG 3.27Å; K338-L342 WeakPolarHBondContact O-CG 3.47Å; K338-L342 PolarHBondContact O-N 3.27Å; V339-L342 WeakPolarHBondContact O-CB 3.31Å; V339-L342 PolarHBondContact O-N 2.86Å; L342-A344 VanDerWaalsContact C-N 3.34Å; L342-A344 PolarHBondContact O-N 3.03Å; L342-L345 PolarHBondContact O-N 3.25Å; L342-E346 WeakPolarHBondContact O-CB 3.39Å; L342-E346 PolarHBondContact O-N 2.8Å |
| 343 | D | 87.1 | Confident | 83.2 | Confident | 89 Ų | 89 | 106.7 Ų | 106.7 | 48% | 0.476 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 175.7 | -69.6 | -19.1 | 0 | 0 | 0 | 111.5 | V339 E346 S347 | V339-D343 PolarHBondContact O-N 3.28Å; D343-E346 PolarHBondContact O-N 3.17Å; D343-S347 WeakPolarHBondContact O-CB 3.09Å; D343-S347 PolarHBondContact O-N 2.98Å; D343-S347 PolarHBondContact O-OG 3.09Å |
| 344 | A | 87.4 | Confident | 82 | Confident | 46 Ų | 46 | 104.9 Ų | 104.9 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D340 K341 L342 S347 L348 | D340-A344 WeakPolarHBondContact O-CB 3.43Å; D340-A344 PolarHBondContact O-N 3.44Å; K341-A344 PolarHBondContact O-N 3.11Å; L342-A344 VanDerWaalsContact C-N 3.34Å; L342-A344 PolarHBondContact O-N 3.03Å; A344-S347 VanDerWaalsContact CA-OG 3.32Å; A344-S347 WeakPolarHBondContact CA-OG 3.46Å; A344-S347 PolarHBondContact O-OG 3.21Å; A344-L348 WeakPolarHBondContact O-CB 3.45Å; A344-L348 WeakPolarHBondContact O-CD1 3.5Å; A344-L348 WeakPolarHBondContact O-CG 3.37Å; A344-L348 PolarHBondContact O-N 2.6Å |
| 345 | L | 87.1 | Confident | 80.8 | Confident | 104 Ų | 104 | 107.9 Ų | 107.9 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 176.1 | -76.4 | 165.9 | 0 | 0 | 0 | 112 | K341 L342 L348 R349 | K341-L345 WeakPolarHBondContact O-CB 3.25Å; K341-L345 VanDerWaalsContact O-CG 3.29Å; K341-L345 WeakPolarHBondContact O-CG 3.33Å; K341-L345 PolarHBondContact O-N 3.39Å; L342-L345 PolarHBondContact O-N 3.25Å; L345-L348 PolarHBondContact O-N 3.24Å; L345-R349 WeakPolarHBondContact O-CG 3.5Å; L345-R349 PolarHBondContact O-N 2.95Å |
| 346 | E | 86.8 | Confident | 79.5 | Confident | 98 Ų | 98 | 106 Ų | 106 | 46% | 0.458 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -69.6 | -38.3 | 178.3 | -164.3 | -177.6 | 149 | 0 | 0 | 111.6 | L342 D343 R349 K350 | L342-E346 WeakPolarHBondContact O-CB 3.39Å; L342-E346 PolarHBondContact O-N 2.8Å; D343-E346 PolarHBondContact O-N 3.17Å; E346-R349 PolarHBondContact O-N 3.48Å; E346-K350 WeakPolarHBondContact O-CG 3.49Å; E346-K350 PolarHBondContact O-N 3.27Å; E346-K350 VanDerWaalsContact OE1-CE 3.31Å; E346-K350 WeakPolarHBondContact OE1-CE 3.42Å; E346-K350 IonicContact OE1-NZ 2.71Å; E346-K350 PolarHBondContact OE1-NZ 3.26Å |
| 347 | S | 82.4 | Confident | 77.6 | Confident | 57 Ų | 57 | 107.3 Ų | 107.3 | 40% | 0.399 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -67.1 | -38.3 | 174.3 | 51.2 | 0 | 0 | 0 | 0 | 112.9 | D343 A344 K350 Q351 | D343-S347 WeakPolarHBondContact O-CB 3.09Å; D343-S347 PolarHBondContact O-N 2.98Å; D343-S347 PolarHBondContact O-OG 3.09Å; A344-S347 VanDerWaalsContact CA-OG 3.32Å; A344-S347 WeakPolarHBondContact CA-OG 3.46Å; A344-S347 PolarHBondContact O-OG 3.21Å; S347-K350 PolarHBondContact O-N 3.02Å; S347-Q351 WeakPolarHBondContact O-CG 3.48Å; S347-Q351 PolarHBondContact O-N 3.21Å; S347-Q351 VanDerWaalsContact O-N 3.08Å |
| 348 | L | 83.7 | Confident | 75.9 | Confident | 91 Ų | 91 | 111 Ų | 111 | 48% | 0.476 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63 | -45.1 | 171.2 | -79.8 | 162.5 | 0 | 0 | 0 | 112 | A344 L345 K350 Q351 E352 | A344-L348 WeakPolarHBondContact O-CB 3.45Å; A344-L348 WeakPolarHBondContact O-CD1 3.5Å; A344-L348 WeakPolarHBondContact O-CG 3.37Å; A344-L348 PolarHBondContact O-N 2.6Å; L345-L348 PolarHBondContact O-N 3.24Å; L348-K350 VanDerWaalsContact C-N 3.32Å; L348-K350 PolarHBondContact O-N 3.02Å; L348-Q351 WeakPolarHBondContact O-CB 3.27Å; L348-Q351 PolarHBondContact O-N 2.95Å; L348-Q351 VanDerWaalsContact O-N 3.07Å; L348-E352 PolarHBondContact O-N 3.01Å |
| 349 | R | 78.4 | Confident | 74.3 | Confident | 174 Ų | 174 | 109.3 Ų | 109.3 | 66% | 0.657 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -57.6 | -44.8 | 174.8 | -81.2 | -178.9 | 172.9 | -179.9 | -1.6 | 112.2 | L345 E346 Q351 E352 E353 | L345-R349 WeakPolarHBondContact O-CG 3.5Å; L345-R349 PolarHBondContact O-N 2.95Å; E346-R349 PolarHBondContact O-N 3.48Å; R349-Q351 VanDerWaalsContact C-N 3.26Å; R349-Q351 PolarHBondContact O-N 3.44Å; R349-E352 PolarHBondContact O-N 3.31Å; R349-E353 WeakPolarHBondContact O-CB 3.27Å; R349-E353 WeakPolarHBondContact O-CG 3.07Å; R349-E353 PolarHBondContact O-N 3.03Å |
| 350 | K | 80.4 | Confident | 72.7 | Confident | 117 Ų | 117 | 111.5 Ų | 111.5 | 51% | 0.509 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61.9 | -33.6 | 176.3 | -73.6 | 171.1 | -175.8 | 163.6 | 0 | 112.3 | E346 S347 L348 H354 | E346-K350 WeakPolarHBondContact O-CG 3.49Å; E346-K350 PolarHBondContact O-N 3.27Å; E346-K350 VanDerWaalsContact OE1-CE 3.31Å; E346-K350 WeakPolarHBondContact OE1-CE 3.42Å; E346-K350 IonicContact OE1-NZ 2.71Å; E346-K350 PolarHBondContact OE1-NZ 3.26Å; S347-K350 PolarHBondContact O-N 3.02Å; L348-K350 VanDerWaalsContact C-N 3.32Å; L348-K350 PolarHBondContact O-N 3.02Å; K350-H354 WeakPolarHBondContact O-CB 3.33Å; K350-H354 PolarHBondContact O-N 3.01Å |
| 351 | Q | 75.4 | Confident | 71.3 | Confident | 125 Ų | 125 | 114.3 Ų | 114.3 | 58% | 0.584 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -72.1 | -42.1 | 174.5 | -71.8 | 175.2 | 3 | 0 | 0 | 112.3 | S347 L348 R349 H354 V355 | S347-Q351 WeakPolarHBondContact O-CG 3.48Å; S347-Q351 PolarHBondContact O-N 3.21Å; S347-Q351 VanDerWaalsContact O-N 3.08Å; L348-Q351 WeakPolarHBondContact O-CB 3.27Å; L348-Q351 PolarHBondContact O-N 2.95Å; L348-Q351 VanDerWaalsContact O-N 3.07Å; R349-Q351 VanDerWaalsContact C-N 3.26Å; R349-Q351 PolarHBondContact O-N 3.44Å; Q351-H354 PolarHBondContact O-N 3.26Å; Q351-V355 VanDerWaalsContact O-CG2 3.31Å; Q351-V355 WeakPolarHBondContact O-CG2 3.24Å; Q351-V355 PolarHBondContact O-N 3.06Å; Q351-V355 VanDerWaalsContact O-N 3.09Å |
| 352 | E | 71.9 | Confident | 69.9 | Low | 130 Ų | 130 | 113.5 Ų | 113.5 | 61% | 0.607 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.8 | -40 | 176.2 | -71.4 | 179.1 | 166.2 | 0 | 0 | 112.3 | L348 R349 H354 V355 T356 | L348-E352 PolarHBondContact O-N 3.01Å; R349-E352 PolarHBondContact O-N 3.31Å; E352-H354 VanDerWaalsContact C-N 3.3Å; E352-H354 PolarHBondContact O-N 3.42Å; E352-V355 PolarHBondContact O-N 3.41Å; E352-T356 PolarHBondContact O-N 3.33Å; E352-T356 VanDerWaalsContact O-N 3.13Å; E352-T356 PolarHBondContact O-OG1 3.31Å |
| 353 | E | 66 | Low | 68.2 | Low | 130 Ų | 130 | 116.5 Ų | 116.5 | 61% | 0.607 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -62.2 | -38.3 | 172.6 | -74.7 | 176.1 | 173 | 0 | 0 | 111.4 | R349 V355 T356 E357 | R349-E353 WeakPolarHBondContact O-CB 3.27Å; R349-E353 WeakPolarHBondContact O-CG 3.07Å; R349-E353 PolarHBondContact O-N 3.03Å; E353-V355 VanDerWaalsContact C-N 3.32Å; E353-V355 PolarHBondContact O-N 3.11Å; E353-T356 WeakPolarHBondContact CA-OG1 3.07Å; E353-T356 PolarHBondContact O-N 3.27Å; E353-T356 PolarHBondContact O-OG1 3.4Å; E353-T356 VanDerWaalsContact O-OG1 3.11Å; E353-E357 PolarHBondContact O-N 2.67Å |
| 354 | H | 59.5 | Low | 66.5 | Low | 142 Ų | 142 | 118.9 Ų | 118.9 | 66% | 0.657 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.9 | -24.4 | 178.2 | -143.7 | -36.1 | 0 | 0 | 0 | 113.7 | K350 Q351 E352 | K350-H354 WeakPolarHBondContact O-CB 3.33Å; K350-H354 PolarHBondContact O-N 3.01Å; Q351-H354 PolarHBondContact O-N 3.26Å; E352-H354 VanDerWaalsContact C-N 3.3Å; E352-H354 PolarHBondContact O-N 3.42Å |
| 355 | V | 58 | Low | 64.6 | Low | 122 Ų | 122 | 126.1 Ų | 126.1 | 74% | 0.739 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -84.5 | -21 | 176.1 | 173.5 | 0 | 0 | 0 | 0 | 112 | Q351 E352 E353 | Q351-V355 VanDerWaalsContact O-CG2 3.31Å; Q351-V355 WeakPolarHBondContact O-CG2 3.24Å; Q351-V355 PolarHBondContact O-N 3.06Å; Q351-V355 VanDerWaalsContact O-N 3.09Å; E352-V355 PolarHBondContact O-N 3.41Å; E353-V355 VanDerWaalsContact C-N 3.32Å; E353-V355 PolarHBondContact O-N 3.11Å |
| 356 | T | 54 | Low | 62.7 | Low | 111 Ų | 111 | 128.3 Ų | 128.3 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -92.5 | -8.3 | -179.7 | 41.6 | 0 | 0 | 0 | 0 | 114.1 | E352 E353 | E352-T356 PolarHBondContact O-N 3.33Å; E352-T356 VanDerWaalsContact O-N 3.13Å; E352-T356 PolarHBondContact O-OG1 3.31Å; E353-T356 WeakPolarHBondContact CA-OG1 3.07Å; E353-T356 PolarHBondContact O-N 3.27Å; E353-T356 PolarHBondContact O-OG1 3.4Å; E353-T356 VanDerWaalsContact O-OG1 3.11Å |
| 357 | E | 47.2 | Very low | 60.9 | Low | 135 Ų | 135 | 127 Ų | 127 | 63% | 0.631 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -64.2 | 121.9 | 161.3 | -72.3 | -168.8 | 158.5 | 0 | 0 | 109.5 | E353 A359 | E353-E357 PolarHBondContact O-N 2.67Å; E357-A359 PolarHBondContact O-N 2.79Å |
| 358 | P | 50.3 | Low | 59 | Low | 121 Ų | 121 | 132.9 Ų | 132.9 | 79% | 0.786 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 123 | -173.3 | 25.8 | -31.4 | 0 | 0 | 0 | 109.8 | ||
| 359 | A | 54.7 | Low | 56.9 | Low | 85 Ų | 85 | 141.5 Ų | 141.5 | 70% | 0.702 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 131.9 | 169 | 0 | 0 | 0 | 0 | 0 | 109.2 | E357 L361 | E357-A359 PolarHBondContact O-N 2.79Å; A359-L361 PolarHBondContact O-N 2.97Å; A359-L361 VanDerWaalsContact O-N 3.12Å |
| 360 | P | 55.5 | Low | 55.9 | Low | 115 Ų | 115 | 139.9 Ų | 139.9 | 75% | 0.747 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 122.3 | -175.4 | 23.1 | -31.1 | 0 | 0 | 0 | 109 | V362 | P360-V362 PolarHBondContact O-N 3.47Š|
| 361 | L | 57.8 | Low | 54.6 | Low | 160 Ų | 160 | 141.1 Ų | 141.1 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | -58.7 | 99.4 | 172.9 | -80 | 161.1 | 0 | 0 | 0 | 108.6 | A359 F363 | A359-L361 PolarHBondContact O-N 2.97Å; A359-L361 VanDerWaalsContact O-N 3.12Å; L361-F363 PolarHBondContact O-N 2.96Å | ||
| 362 | V | 58.1 | Low | 53.4 | Low | 119 Ų | 119 | 141.9 Ų | 141.9 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | trans | -71.1 | 106.2 | 168.9 | -176.8 | 0 | 0 | 0 | 0 | 106.7 | P360 D364 | P360-V362 PolarHBondContact O-N 3.47Å; V362-D364 PolarHBondContact O-N 3.38Å | ||
| 363 | F | 51.4 | Low | 52.3 | Low | 175 Ų | 175 | 142.6 Ų | 142.6 | 77% | 0.768 | 77% | 0.772 | S | S | * | * | trans | -74.6 | 103.1 | 166.8 | -100.5 | -92.9 | 0 | 0 | 0 | 107.8 | L361 F365 | L361-F363 PolarHBondContact O-N 2.96Å; F363-F365 PolarHBondContact O-N 3.36Å | ||
| 364 | D | 50.6 | Low | 51.5 | Low | 140 Ų | 140 | 143.4 Ų | 143.4 | 75% | 0.749 | 78% | 0.782 | S | S | * | * | trans | -68.3 | 108.3 | 166.1 | -77.1 | -33.2 | 0 | 0 | 0 | 108.8 | V362 D366 | V362-D364 PolarHBondContact O-N 3.38Å; D364-D366 PolarHBondContact O-N 3.33Å | ||
| 365 | F | 48.2 | Very low | 50.9 | Low | 198 Ų | 198 | 143.5 Ų | 143.5 | 87% | 0.868 | 79% | 0.79 | S | S | * | * | trans | -82.5 | 91 | 169.2 | -117.3 | -89.3 | 0 | 0 | 0 | 107.9 | F363 G367 | F363-F365 PolarHBondContact O-N 3.36Å; F365-G367 PolarHBondContact O-N 3.21Å; F365-G367 VanDerWaalsContact O-N 3.1Å | ||
| 366 | D | 45.6 | Very low | 50.4 | Low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 79% | 0.794 | S | S | * | * | trans | -70.9 | 100.7 | 168.7 | -89.1 | -25.5 | 0 | 0 | 0 | 109.5 | D364 | D364-D366 PolarHBondContact O-N 3.33Š| ||
| 367 | G | 49.2 | Very low | 50.2 | Low | 69 Ų | 69 | 147.7 Ų | 147.7 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | -86.5 | 105.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | F365 | F365-G367 PolarHBondContact O-N 3.21Å; F365-G367 VanDerWaalsContact O-N 3.1Å | ||
| 368 | H | 43.6 | Very low | 50.4 | Low | 181 Ų | 181 | 148.8 Ų | 148.8 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -130.6 | 120.7 | 158.6 | -84.7 | -66.1 | 0 | 0 | 0 | 109.4 | ||||
| 369 | E | 39.9 | Very low | 50.4 | Low | 272 Ų | 272 | 151.3 Ų | 151.3 | 100% | 1.271 | 82% | 0.82 | S | S | * | * | trans | -62.6 | 0 | 162.8 | -75.5 | -177.3 | 148 | 0 | 0 | 112.1 |
Retrieved 369 of 369 residues in 483.4 ms
(Link to these results)