| 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 | 36.5 | Very low | 245 Ų | 245 | 145.7 Ų | 145.7 | 100% | 1.207 | 81% | 0.81 | S | S | * | * | 0 | 175 | 0 | -92.4 | 169.8 | 160.3 | 0 | 0 | 108.8 | |||||
| 2 | F | 30.6 | Very low | 36.5 | Very low | 197 Ų | 197 | 145.4 Ų | 145.4 | 86% | 0.864 | 80% | 0.804 | S | S | * | * | trans | -83.6 | 160.4 | -153 | -83.2 | -96 | 0 | 0 | 0 | 117 | ||||
| 3 | S | 33.5 | Very low | 36.2 | Very low | 102 Ų | 102 | 149 Ų | 149 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | trans | 8 | 147.2 | 162.4 | -51.3 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 4 | P | 41.1 | Very low | 35.9 | Very low | 127 Ų | 127 | 145.9 Ų | 145.9 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -80.8 | 157.1 | 153 | 36.6 | -33.1 | 0 | 0 | 0 | 112 | ||||
| 5 | G | 34.9 | Very low | 35.7 | Very low | 62 Ų | 62 | 143.6 Ų | 143.6 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | -100.8 | 135.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 6 | E | 36.7 | Very low | 36 | Very low | 193 Ų | 193 | 144.8 Ų | 144.8 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | 74.7 | 79.7 | 90.7 | -79.4 | -172.6 | 109 | 0 | 0 | 113.7 | |||||
| 7 | E | 36.7 | Very low | 36 | Very low | 201 Ų | 201 | 146.3 Ų | 146.3 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | trans | -85.1 | 133.7 | 152.5 | -67.1 | -172.2 | 135.6 | 0 | 0 | 108.7 | ||||
| 8 | V | 39.7 | Very low | 35.9 | Very low | 126 Ų | 126 | 146.3 Ų | 146.3 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -90.9 | 142.5 | -170.6 | 175.7 | 0 | 0 | 0 | 0 | 112 | S10 | V8-S10 PolarHBondContact O-N 3.19Š| ||
| 9 | D | 40 | Very low | 35.7 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 65% | 0.647 | 79% | 0.794 | S | S | * | * | trans | -51 | 112.4 | -170.9 | -79.3 | -72.6 | 0 | 0 | 0 | 116.2 | ||||
| 10 | S | 36 | Very low | 36 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -95.8 | -7.3 | 157.8 | -61.1 | 0 | 0 | 0 | 0 | 113 | V8 | V8-S10 PolarHBondContact O-N 3.19Š|
| 11 | N | 37 | Very low | 36.1 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -98.1 | -11 | -165.8 | -66.6 | -39.5 | 0 | 0 | 0 | 115 | F13 T14 | N11-F13 VanDerWaalsContact C-N 3.29Å; N11-F13 PolarHBondContact O-N 3.22Å; N11-T14 PolarHBondContact O-OG1 2.93Å |
| 12 | L | 36.7 | Very low | 36.2 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -23.6 | -172.3 | -156 | 74.4 | 0 | 0 | 0 | 113.7 | ||
| 13 | F | 32.6 | Very low | 36.8 | Very low | 192 Ų | 192 | 131.1 Ų | 131.1 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -7.7 | -173.4 | -122 | -87.3 | 0 | 0 | 0 | 115.3 | N11 | N11-F13 VanDerWaalsContact C-N 3.29Å; N11-F13 PolarHBondContact O-N 3.22Å |
| 14 | T | 32.5 | Very low | 37.6 | Very low | 105 Ų | 105 | 129.3 Ų | 129.3 | 64% | 0.644 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -15 | 176.8 | 38.6 | 0 | 0 | 0 | 0 | 113.4 | N11 L16 | N11-T14 PolarHBondContact O-OG1 2.93Å; T14-L16 PolarHBondContact O-N 3.3Å |
| 15 | S | 33 | Very low | 38.4 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 78% | 0.783 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 21.9 | 179.5 | -166.3 | 0 | 0 | 0 | 0 | 114.9 | ||
| 16 | L | 39.3 | Very low | 39.9 | Very low | 163 Ų | 163 | 127.3 Ų | 127.3 | 85% | 0.853 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | 15.1 | 178.4 | -107.2 | 176.8 | 0 | 0 | 0 | 113.7 | T14 | T14-L16 PolarHBondContact O-N 3.3Š|
| 17 | K | 36.2 | Very low | 41.6 | Very low | 170 Ų | 170 | 122.8 Ų | 122.8 | 74% | 0.739 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -135.6 | 112.8 | 177.6 | -163.6 | 156.5 | -176.2 | 178.6 | 0 | 114.1 | ||
| 18 | E | 35.3 | Very low | 43.5 | Very low | 146 Ų | 146 | 116.8 Ų | 116.8 | 68% | 0.682 | 68% | 0.682 | S | S | * | * | trans | 73.4 | 74.6 | 140.5 | -156 | 158.9 | -171.3 | 0 | 0 | 117.7 | ||||
| 19 | S | 30.9 | Very low | 45.1 | Very low | 127 Ų | 127 | 113.2 Ų | 113.2 | 89% | 0.888 | 66% | 0.658 | S | S | * | * | trans | -100.8 | 102.3 | 146.6 | -174.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 20 | S | 42.3 | Very low | 46.9 | Very low | 106 Ų | 106 | 112.2 Ų | 112.2 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | trans | -110.4 | 92.8 | -176.2 | -65.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 21 | G | 38.2 | Very low | 49.1 | Very low | 57 Ų | 57 | 109.4 Ų | 109.4 | 59% | 0.588 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 173.8 | 120.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A23 | G21-A23 PolarHBondContact O-N 2.86Š|
| 22 | D | 37.4 | Very low | 51.2 | Low | 187 Ų | 187 | 105.3 Ų | 105.3 | 100% | 1 | 61% | 0.61 | S | S | * | * | S | Bend | trans | 57.4 | 2.8 | 160.5 | -131.5 | 32.3 | 0 | 0 | 0 | 119.8 | ||
| 23 | A | 43.2 | Very low | 53.4 | Low | 86 Ų | 86 | 99.1 Ų | 99.1 | 71% | 0.711 | 58% | 0.578 | S | S | * | * | trans | -131.9 | 68.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | G21 S25 | G21-A23 PolarHBondContact O-N 2.86Å; A23-S25 PolarHBondContact O-N 3.11Å; A23-S25 VanDerWaalsContact O-N 3.11Å | ||
| 24 | I | 50.9 | Low | 55.9 | Low | 63 Ų | 63 | 92.8 Ų | 92.8 | 32% | 0.323 | 56% | 0.555 | S | S | . | * | trans | -61.9 | 116.4 | 164.9 | -73.5 | -175.6 | 0 | 0 | 0 | 108.1 | L28 E283 I286 | I24-L28 HydrophobicContact CG2-CB 4.32Å; I24-L28 HydrophobicContact CG2-CD2 3.61Å; I24-E283 HydrophobicContact CD1-CB 4.38Å; I24-E283 HydrophobicContact CD1-CG 3.43Å; I24-E283 VanDerWaalsContact CD1-CG 3.43Å; I24-I286 HydrophobicContact CD1-CD1 4.1Å; I24-I286 HydrophobicContact CG2-CD1 4.47Å | ||
| 25 | S | 56.3 | Low | 58.6 | Low | 53 Ų | 53 | 91.5 Ų | 91.5 | 37% | 0.371 | 55% | 0.547 | S | S | . | . | trans | -63.9 | 144.2 | -162.3 | 175.3 | 0 | 0 | 0 | 0 | 113.5 | A23 T27 L28 | A23-S25 PolarHBondContact O-N 3.11Å; A23-S25 VanDerWaalsContact O-N 3.11Å; S25-T27 PolarHBondContact O-N 3.41Å; S25-T27 WeakPolarHBondContact OG-CB 3.49Å; S25-T27 PolarHBondContact OG-N 3.11Å; S25-T27 VanDerWaalsContact OG-N 3.13Å; S25-T27 PolarHBondContact OG-OG1 3.13Å; S25-T27 VanDerWaalsContact OG-OG1 3.11Å; S25-L28 WeakPolarHBondContact O-CB 3.38Å; S25-L28 PolarHBondContact O-N 3.06Å | ||
| 26 | P | 66.8 | Low | 61.1 | Low | 94 Ų | 94 | 86.8 Ų | 86.8 | 61% | 0.61 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -57.4 | -20.4 | 169.3 | 25.2 | -35.6 | 0 | 0 | 0 | 112.9 | L28 E29 L30 | P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 3Å; P26-E29 PolarHBondContact O-N 2.83Å; P26-L30 VanDerWaalsContact O-CB 3.27Å; P26-L30 WeakPolarHBondContact O-CB 3.42Å; P26-L30 PolarHBondContact O-N 2.92Å |
| 27 | T | 73 | Confident | 63.4 | Low | 99 Ų | 99 | 80.2 Ų | 80.2 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -59.3 | -36.7 | 169.3 | -50.6 | 0 | 0 | 0 | 0 | 112 | S25 S31 | S25-T27 PolarHBondContact O-N 3.41Å; S25-T27 WeakPolarHBondContact OG-CB 3.49Å; S25-T27 PolarHBondContact OG-N 3.11Å; S25-T27 VanDerWaalsContact OG-N 3.13Å; S25-T27 PolarHBondContact OG-OG1 3.13Å; S25-T27 VanDerWaalsContact OG-OG1 3.11Å; T27-S31 VanDerWaalsContact O-CB 3.31Å; T27-S31 WeakPolarHBondContact O-CB 3.37Å; T27-S31 PolarHBondContact O-N 2.81Å; T27-S31 PolarHBondContact O-OG 3.07Å |
| 28 | L | 75.4 | Confident | 66 | Low | 74 Ų | 74 | 76.3 Ų | 76.3 | 39% | 0.387 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.9 | -46.1 | 178.3 | -171.6 | 66.6 | 0 | 0 | 0 | 110.9 | I24 S25 P26 L30 S31 L32 I286 | I24-L28 HydrophobicContact CG2-CB 4.32Å; I24-L28 HydrophobicContact CG2-CD2 3.61Å; S25-L28 WeakPolarHBondContact O-CB 3.38Å; S25-L28 PolarHBondContact O-N 3.06Å; P26-L28 VanDerWaalsContact C-N 3.26Å; P26-L28 PolarHBondContact O-N 3Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 3.2Å; L28-S31 WeakPolarHBondContact CA-OG 3.41Å; L28-S31 PolarHBondContact O-N 2.97Å; L28-S31 VanDerWaalsContact O-N 3.15Å; L28-S31 PolarHBondContact O-OG 3.43Å; L28-L32 WeakPolarHBondContact O-CB 3.5Å; L28-L32 PolarHBondContact O-N 3.35Å; L28-I286 HydrophobicContact CD2-CD1 3.6Å; L28-I286 HydrophobicContact CD2-CG1 4.02Å |
| 29 | E | 74.4 | Confident | 68.7 | Low | 52 Ų | 52 | 72.4 Ų | 72.4 | 24% | 0.243 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 176.1 | -61.8 | 178.7 | 171.2 | 0 | 0 | 110.8 | P26 S31 L32 T33 S281 G282 Y285 | P26-E29 PolarHBondContact O-N 2.83Å; E29-S31 PolarHBondContact O-N 2.81Å; E29-L32 PolarHBondContact O-N 2.84Å; E29-T33 WeakPolarHBondContact O-CB 3.44Å; E29-T33 PolarHBondContact O-N 3.16Å; E29-T33 PolarHBondContact O-OG1 3.23Å; E29-S281 WeakPolarHBondContact OE1-CA 3.49Å; E29-G282 PolarHBondContact OE1-N 3.43Å; E29-Y285 HydrophobicContact CB-CD1 4Å; E29-Y285 HydrophobicContact CB-CE1 4.27Å; E29-Y285 HydrophobicContact CB-CG 4.48Å; E29-Y285 HydrophobicContact CG-CD1 3.95Å; E29-Y285 HydrophobicContact CG-CG 4.1Å |
| 30 | L | 77.9 | Confident | 71.6 | Confident | 99 Ų | 99 | 66.4 Ų | 66.4 | 52% | 0.518 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 173.7 | -169.9 | 73.5 | 0 | 0 | 0 | 112 | P26 L28 T33 T34 F87 | P26-L30 VanDerWaalsContact O-CB 3.27Å; P26-L30 WeakPolarHBondContact O-CB 3.42Å; P26-L30 PolarHBondContact O-N 2.92Å; L28-L30 VanDerWaalsContact C-N 3.34Å; L28-L30 PolarHBondContact O-N 3.2Å; L30-T33 PolarHBondContact O-N 3.5Å; L30-T34 PolarHBondContact O-N 2.77Å; L30-T34 PolarHBondContact O-OG1 3.15Å; L30-F87 HydrophobicContact CD1-CD1 4.07Å; L30-F87 HydrophobicContact CD1-CE1 3.55Å; L30-F87 HydrophobicContact CD1-CZ 4.46Å; L30-F87 HydrophobicContact CG-CE1 4.23Å |
| 31 | S | 81.3 | Confident | 73.9 | Confident | 52 Ų | 52 | 63.3 Ų | 63.3 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.6 | -40 | 178.8 | 77.3 | 0 | 0 | 0 | 0 | 112.5 | T27 L28 E29 T34 V35 | T27-S31 VanDerWaalsContact O-CB 3.31Å; T27-S31 WeakPolarHBondContact O-CB 3.37Å; T27-S31 PolarHBondContact O-N 2.81Å; T27-S31 PolarHBondContact O-OG 3.07Å; L28-S31 WeakPolarHBondContact CA-OG 3.41Å; L28-S31 PolarHBondContact O-N 2.97Å; L28-S31 VanDerWaalsContact O-N 3.15Å; L28-S31 PolarHBondContact O-OG 3.43Å; E29-S31 PolarHBondContact O-N 2.81Å; S31-T34 WeakPolarHBondContact O-CA 3.31Å; S31-T34 VanDerWaalsContact O-CB 3.24Å; S31-T34 WeakPolarHBondContact O-CB 3.41Å; S31-T34 PolarHBondContact O-N 2.71Å; S31-T34 VanDerWaalsContact O-N 3.12Å; S31-V35 WeakPolarHBondContact O-CG2 3.27Å; S31-V35 PolarHBondContact O-N 2.94Å |
| 32 | L | 81.4 | Confident | 76.5 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -70.5 | -41.2 | 179.5 | -173.4 | 62 | 0 | 0 | 0 | 110.7 | L28 E29 T34 V35 Y36 Y285 | L28-L32 WeakPolarHBondContact O-CB 3.5Å; L28-L32 PolarHBondContact O-N 3.35Å; E29-L32 PolarHBondContact O-N 2.84Å; L32-T34 PolarHBondContact O-N 3.44Å; L32-V35 PolarHBondContact O-N 3.48Å; L32-Y36 HydrophobicContact CD1-CD2 4.17Å; L32-Y36 HydrophobicContact CD1-CE2 3.54Å; L32-Y36 HydrophobicContact CD2-CE2 4.3Å; L32-Y36 HydrophobicContact CG-CD2 4.02Å; L32-Y36 HydrophobicContact CG-CE2 3.66Å; L32-Y36 WeakPolarHBondContact O-CD2 3.44Å; L32-Y36 PolarHBondContact O-N 3.44Å; L32-Y285 HydrophobicContact CB-CD1 4.47Å; L32-Y285 HydrophobicContact CB-CE1 4.12Å; L32-Y285 HydrophobicContact CD2-CD1 3.81Å; L32-Y285 HydrophobicContact CD2-CE1 3.96Å; L32-Y285 HydrophobicContact CG-CE1 4.23Å |
| 33 | T | 82.7 | Confident | 79.2 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 7% | 0.074 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.7 | -41 | 168.5 | -45.4 | 0 | 0 | 0 | 0 | 110.5 | E29 L30 Y36 T37 F83 F87 Y285 | E29-T33 WeakPolarHBondContact O-CB 3.44Å; E29-T33 PolarHBondContact O-N 3.16Å; E29-T33 PolarHBondContact O-OG1 3.23Å; L30-T33 PolarHBondContact O-N 3.5Å; T33-Y36 PolarHBondContact O-N 2.93Å; T33-T37 PolarHBondContact O-N 2.89Å; T33-T37 PolarHBondContact O-OG1 3.27Å; T33-F83 HydrophobicContact CG2-CB 4.5Å; T33-F83 HydrophobicContact CG2-CD1 4.09Å; T33-F87 VanDerWaalsContact C-CE2 3.49Å; T33-F87 HydrophobicContact CG2-CD2 3.71Å; T33-F87 HydrophobicContact CG2-CE2 3.38Å; T33-F87 HydrophobicContact CG2-CG 4.49Å; T33-F87 HydrophobicContact CG2-CZ 3.92Å; T33-F87 WeakPolarHBondContact O-CE2 3.28Å; T33-Y285 PolarHBondContact OG1-OH 3.24Å |
| 34 | T | 85.4 | Confident | 81.6 | Confident | 60 Ų | 60 | 58.4 Ų | 58.4 | 37% | 0.368 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.1 | -50.3 | 180 | -51.2 | 0 | 0 | 0 | 0 | 110.6 | L30 S31 L32 Y36 T37 V38 F87 | L30-T34 PolarHBondContact O-N 2.77Å; L30-T34 PolarHBondContact O-OG1 3.15Å; S31-T34 WeakPolarHBondContact O-CA 3.31Å; S31-T34 VanDerWaalsContact O-CB 3.24Å; S31-T34 WeakPolarHBondContact O-CB 3.41Å; S31-T34 PolarHBondContact O-N 2.71Å; S31-T34 VanDerWaalsContact O-N 3.12Å; L32-T34 PolarHBondContact O-N 3.44Å; T34-Y36 VanDerWaalsContact C-N 3.32Å; T34-Y36 PolarHBondContact O-N 3.42Å; T34-T37 PolarHBondContact O-N 3.46Å; T34-V38 HydrophobicContact CG2-CG2 4.48Å; T34-V38 WeakPolarHBondContact O-CB 3.25Å; T34-V38 WeakPolarHBondContact O-CG2 3.49Å; T34-V38 PolarHBondContact O-N 2.95Å; T34-F87 VanDerWaalsContact CA-CZ 3.47Å; T34-F87 WeakPolarHBondContact OG1-CZ 3.16Å |
| 35 | V | 88.8 | Confident | 83.6 | Confident | 77 Ų | 77 | 58.9 Ų | 58.9 | 47% | 0.467 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -57.6 | -45.2 | 177.2 | 170.8 | 0 | 0 | 0 | 0 | 110.6 | S31 L32 V38 L39 | S31-V35 WeakPolarHBondContact O-CG2 3.27Å; S31-V35 PolarHBondContact O-N 2.94Å; L32-V35 PolarHBondContact O-N 3.48Å; V35-V38 PolarHBondContact O-N 2.96Å; V35-L39 HydrophobicContact CG1-CD1 3.77Å; V35-L39 HydrophobicContact CG1-CG 4.31Å; V35-L39 WeakPolarHBondContact O-CB 3.43Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.47Å; V35-L39 PolarHBondContact O-N 2.84Å |
| 36 | Y | 85.8 | Confident | 85.3 | Confident | 14 Ų | 14 | 60 Ų | 60 | 6% | 0.055 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64 | -48.1 | 176.7 | -78.6 | -56.7 | 0 | 0 | 0 | 113.2 | L32 T33 T34 V38 L39 Y40 G289 F293 | L32-Y36 HydrophobicContact CD1-CD2 4.17Å; L32-Y36 HydrophobicContact CD1-CE2 3.54Å; L32-Y36 HydrophobicContact CD2-CE2 4.3Å; L32-Y36 HydrophobicContact CG-CD2 4.02Å; L32-Y36 HydrophobicContact CG-CE2 3.66Å; L32-Y36 WeakPolarHBondContact O-CD2 3.44Å; L32-Y36 PolarHBondContact O-N 3.44Å; T33-Y36 PolarHBondContact O-N 2.93Å; T34-Y36 VanDerWaalsContact C-N 3.32Å; T34-Y36 PolarHBondContact O-N 3.42Å; Y36-V38 VanDerWaalsContact C-N 3.29Å; Y36-V38 PolarHBondContact O-N 2.94Å; Y36-L39 PolarHBondContact O-N 2.91Å; Y36-Y40 AromaticContact CD1-CE2 3.81Å; Y36-Y40 HydrophobicContact CD1-CE2 3.81Å; Y36-Y40 HydrophobicContact CG-CE2 4.16Å; Y36-Y40 WeakPolarHBondContact O-CD2 3.29Å; Y36-Y40 PolarHBondContact O-N 2.97Å; Y36-G289 PolarHBondContact OH-O 2.68Å; Y36-F293 HydrophobicContact CE1-CB 4.27Å; Y36-F293 HydrophobicContact CE1-CD2 4.45Å |
| 37 | T | 88.3 | Confident | 86.5 | Confident | 24 Ų | 24 | 55.5 Ų | 55.5 | 15% | 0.147 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -57.2 | -41.8 | 176.1 | -67.3 | 0 | 0 | 0 | 0 | 111.8 | T33 T34 S41 F83 F87 | T33-T37 PolarHBondContact O-N 2.89Å; T33-T37 PolarHBondContact O-OG1 3.27Å; T34-T37 PolarHBondContact O-N 3.46Å; T37-S41 WeakPolarHBondContact O-CB 3.26Å; T37-S41 PolarHBondContact O-N 3.2Å; T37-S41 PolarHBondContact O-OG 2.95Å; T37-F83 VanDerWaalsContact OG1-CB 3.27Å; T37-F83 WeakPolarHBondContact OG1-CB 3.33Å; T37-F87 WeakPolarHBondContact OG1-CE2 3.1Å |
| 38 | V | 91.1 | Very high | 87.4 | Confident | 89 Ų | 89 | 56.5 Ų | 56.5 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -44.5 | 176.3 | 171.3 | 0 | 0 | 0 | 0 | 111.5 | T34 V35 Y36 S41 F42 | T34-V38 HydrophobicContact CG2-CG2 4.48Å; T34-V38 WeakPolarHBondContact O-CB 3.25Å; T34-V38 WeakPolarHBondContact O-CG2 3.49Å; T34-V38 PolarHBondContact O-N 2.95Å; V35-V38 PolarHBondContact O-N 2.96Å; Y36-V38 VanDerWaalsContact C-N 3.29Å; Y36-V38 PolarHBondContact O-N 2.94Å; V38-S41 PolarHBondContact O-N 3.42Å; V38-F42 VanDerWaalsContact O-CB 3.31Å; V38-F42 WeakPolarHBondContact O-CB 3.22Å; V38-F42 PolarHBondContact O-N 3.34Å |
| 39 | L | 91.3 | Very high | 88.1 | Confident | 64 Ų | 64 | 57.3 Ų | 57.3 | 34% | 0.335 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.6 | -45.1 | 178.5 | -74.3 | 172.9 | 0 | 0 | 0 | 112.6 | V35 Y36 F42 L43 L297 | V35-L39 HydrophobicContact CG1-CD1 3.77Å; V35-L39 HydrophobicContact CG1-CG 4.31Å; V35-L39 WeakPolarHBondContact O-CB 3.43Å; V35-L39 VanDerWaalsContact O-CG 3.24Å; V35-L39 WeakPolarHBondContact O-CG 3.47Å; V35-L39 PolarHBondContact O-N 2.84Å; Y36-L39 PolarHBondContact O-N 2.91Å; L39-F42 PolarHBondContact O-N 3.03Å; L39-L43 WeakPolarHBondContact O-CB 3.11Å; L39-L43 PolarHBondContact O-N 3.12Å; L39-L297 HydrophobicContact CB-CD2 4Å; L39-L297 HydrophobicContact CD1-CD2 3.93Å; L39-L297 HydrophobicContact CG-CD2 4.48Å |
| 40 | Y | 91.3 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.7 | -37.9 | 176.8 | -65.3 | -58.2 | 0 | 0 | 0 | 111.9 | Y36 L43 F44 W75 R79 T80 F83 L297 | Y36-Y40 AromaticContact CD1-CE2 3.81Å; Y36-Y40 HydrophobicContact CD1-CE2 3.81Å; Y36-Y40 HydrophobicContact CG-CE2 4.16Å; Y36-Y40 WeakPolarHBondContact O-CD2 3.29Å; Y36-Y40 PolarHBondContact O-N 2.97Å; Y40-L43 PolarHBondContact O-N 2.69Å; Y40-F44 WeakPolarHBondContact O-CB 3.25Å; Y40-F44 PolarHBondContact O-N 3.25Å; Y40-W75 HydrophobicContact CD1-CH2 4.1Å; Y40-W75 HydrophobicContact CD1-CZ3 4.21Å; Y40-W75 AromaticContact CE1-CH2 3.58Å; Y40-W75 HydrophobicContact CE1-CH2 3.58Å; Y40-W75 HydrophobicContact CE1-CZ2 4.29Å; Y40-W75 HydrophobicContact CE1-CZ3 4.14Å; Y40-R79 HydrophobicContact CD1-CB 4.06Å; Y40-R79 HydrophobicContact CD2-CB 4.3Å; Y40-R79 HydrophobicContact CE1-CB 4.28Å; Y40-R79 HydrophobicContact CG-CB 4.09Å; Y40-T80 VanDerWaalsContact CB-OG1 3.31Å; Y40-T80 WeakPolarHBondContact CB-OG1 3.29Å; Y40-F83 AromaticContact CD2-CD2 3.64Å; Y40-F83 HydrophobicContact CD2-CD2 3.64Å; Y40-F83 AromaticContact CD2-CE2 3.84Å; Y40-F83 HydrophobicContact CD2-CE2 3.84Å; Y40-F83 AromaticContact CE2-CD2 3.58Å; Y40-F83 HydrophobicContact CE2-CD2 3.58Å; Y40-F83 AromaticContact CE2-CE2 3.25Å; Y40-F83 HydrophobicContact CE2-CE2 3.25Å; Y40-F83 HydrophobicContact CE2-CZ 4.13Å; Y40-L297 HydrophobicContact CD1-CD1 4.03Å; Y40-L297 HydrophobicContact CE1-CB 4.1Å; Y40-L297 HydrophobicContact CE1-CD1 3.82Å; Y40-L297 HydrophobicContact CE1-CD2 4.45Å; Y40-L297 HydrophobicContact CE1-CG 4.33Å |
| 41 | S | 91.3 | Very high | 89.3 | Confident | 41 Ų | 41 | 52.5 Ų | 52.5 | 29% | 0.287 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.7 | -43.7 | 173.9 | -61.2 | 0 | 0 | 0 | 0 | 112 | T37 V38 F44 V45 T80 | T37-S41 WeakPolarHBondContact O-CB 3.26Å; T37-S41 PolarHBondContact O-N 3.2Å; T37-S41 PolarHBondContact O-OG 2.95Å; V38-S41 PolarHBondContact O-N 3.42Å; S41-F44 PolarHBondContact O-N 3.37Å; S41-V45 WeakPolarHBondContact O-CG2 3.33Å; S41-V45 PolarHBondContact O-N 3.47Å; S41-T80 WeakPolarHBondContact OG-CG2 3.17Å |
| 42 | F | 93.5 | Very high | 89.5 | Confident | 147 Ų | 147 | 56.7 Ų | 56.7 | 65% | 0.645 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -63.2 | -43.6 | 176.4 | 179.3 | -97.9 | 0 | 0 | 0 | 111.4 | V38 L39 V45 F46 | V38-F42 VanDerWaalsContact O-CB 3.31Å; V38-F42 WeakPolarHBondContact O-CB 3.22Å; V38-F42 PolarHBondContact O-N 3.34Å; L39-F42 PolarHBondContact O-N 3.03Å; F42-V45 PolarHBondContact O-N 2.92Å; F42-F46 VanDerWaalsContact O-CB 3.3Å; F42-F46 WeakPolarHBondContact O-CB 3.18Å; F42-F46 PolarHBondContact O-N 3.28Å |
| 43 | L | 92.5 | Very high | 89.7 | Confident | 12 Ų | 12 | 57.9 Ų | 57.9 | 6% | 0.063 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.5 | -42.1 | 174.9 | -177.5 | 62.9 | 0 | 0 | 0 | 111.8 | L39 Y40 F46 V47 W75 L297 T300 V304 | L39-L43 WeakPolarHBondContact O-CB 3.11Å; L39-L43 PolarHBondContact O-N 3.12Å; Y40-L43 PolarHBondContact O-N 2.69Å; L43-F46 PolarHBondContact O-N 3.31Å; L43-V47 HydrophobicContact CD1-CG2 4.17Å; L43-V47 HydrophobicContact CG-CG2 4.43Å; L43-V47 WeakPolarHBondContact O-CB 3.46Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.24Å; L43-V47 PolarHBondContact O-N 2.88Å; L43-W75 HydrophobicContact CD2-CZ3 3.9Å; L43-L297 HydrophobicContact CD2-CD1 3.74Å; L43-T300 HydrophobicContact CD2-CG2 4.39Å; L43-V304 HydrophobicContact CD1-CB 4.36Å; L43-V304 HydrophobicContact CD1-CG1 4.14Å; L43-V304 HydrophobicContact CD1-CG2 4.37Å |
| 44 | F | 93.3 | Very high | 89.7 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.5 | -50.3 | 174.7 | 172.9 | -92.5 | 0 | 0 | 0 | 111.4 | Y40 S41 F46 V47 Y48 L73 A76 A77 | Y40-F44 WeakPolarHBondContact O-CB 3.25Å; Y40-F44 PolarHBondContact O-N 3.25Å; S41-F44 PolarHBondContact O-N 3.37Å; F44-F46 VanDerWaalsContact C-N 3.35Å; F44-F46 PolarHBondContact O-N 2.91Å; F44-V47 PolarHBondContact O-N 3.34Å; F44-Y48 VanDerWaalsContact O-CB 3.27Å; F44-Y48 WeakPolarHBondContact O-CB 3.35Å; F44-Y48 PolarHBondContact O-N 2.98Å; F44-L73 HydrophobicContact CD2-CD1 3.49Å; F44-L73 VanDerWaalsContact CD2-CD1 3.49Å; F44-L73 HydrophobicContact CD2-CG 4.15Å; F44-L73 HydrophobicContact CE2-CD1 3.44Å; F44-L73 VanDerWaalsContact CE2-CD1 3.44Å; F44-L73 HydrophobicContact CE2-CG 3.84Å; F44-L73 HydrophobicContact CG-CD1 4.2Å; F44-L73 HydrophobicContact CZ-CD1 4.11Å; F44-L73 WeakPolarHBondContact O-CD1 3.48Å; F44-A76 HydrophobicContact CB-CB 3.96Å; F44-A77 HydrophobicContact CD2-CB 3.94Å; F44-A77 HydrophobicContact CE2-CB 3.83Å |
| 45 | V | 93.5 | Very high | 89.6 | Confident | 73 Ų | 73 | 59.1 Ų | 59.1 | 44% | 0.442 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 177.1 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | S41 F42 Y48 L49 | S41-V45 WeakPolarHBondContact O-CG2 3.33Å; S41-V45 PolarHBondContact O-N 3.47Å; F42-V45 PolarHBondContact O-N 2.92Å; V45-Y48 PolarHBondContact O-N 3.02Å; V45-L49 HydrophobicContact CG1-CD1 3.92Å; V45-L49 HydrophobicContact CG1-CG 4.36Å; V45-L49 WeakPolarHBondContact O-CB 3.44Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.11Å |
| 46 | F | 92.4 | Very high | 89.2 | Confident | 75 Ų | 75 | 61.7 Ų | 61.7 | 33% | 0.329 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 177.5 | -178.3 | -124.1 | 0 | 0 | 0 | 112.3 | F42 L43 F44 L49 Q50 V304 | F42-F46 VanDerWaalsContact O-CB 3.3Å; F42-F46 WeakPolarHBondContact O-CB 3.18Å; F42-F46 PolarHBondContact O-N 3.28Å; L43-F46 PolarHBondContact O-N 3.31Å; F44-F46 VanDerWaalsContact C-N 3.35Å; F44-F46 PolarHBondContact O-N 2.91Å; F46-L49 PolarHBondContact O-N 3.18Å; F46-Q50 VanDerWaalsContact CZ-NE2 3.32Å; F46-Q50 WeakPolarHBondContact O-CG 3.41Å; F46-Q50 PolarHBondContact O-N 2.9Å; F46-V304 HydrophobicContact CD1-CG1 3.78Å; F46-V304 HydrophobicContact CE1-CG1 3.8Å |
| 47 | V | 92.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 175.9 | 177 | 0 | 0 | 0 | 0 | 111.4 | L43 F44 Q50 L51 L69 C72 L73 V304 | L43-V47 HydrophobicContact CD1-CG2 4.17Å; L43-V47 HydrophobicContact CG-CG2 4.43Å; L43-V47 WeakPolarHBondContact O-CB 3.46Å; L43-V47 VanDerWaalsContact O-CG2 3.26Å; L43-V47 WeakPolarHBondContact O-CG2 3.24Å; L43-V47 PolarHBondContact O-N 2.88Å; F44-V47 PolarHBondContact O-N 3.34Å; V47-Q50 WeakPolarHBondContact O-CB 3.42Å; V47-Q50 PolarHBondContact O-N 2.81Å; V47-L51 PolarHBondContact O-N 3.46Å; V47-L69 HydrophobicContact CG1-CB 4.1Å; V47-L69 HydrophobicContact CG1-CD2 4.1Å; V47-L69 WeakPolarHBondContact CG1-O 3.24Å; V47-C72 HydrophobicContact CG1-CB 4.36Å; V47-C72 HydrophobicContact CG2-CB 4.32Å; V47-L73 HydrophobicContact CB-CD1 4.17Å; V47-L73 HydrophobicContact CG1-CB 3.74Å; V47-L73 HydrophobicContact CG1-CD1 4.04Å; V47-L73 HydrophobicContact CG1-CG 4.49Å; V47-V304 HydrophobicContact CG2-CB 4.27Å; V47-V304 HydrophobicContact CG2-CG1 3.56Å; V47-V304 HydrophobicContact CG2-CG2 3.63Å |
| 48 | Y | 91.8 | Very high | 87.7 | Confident | 121 Ų | 121 | 67.1 Ų | 67.1 | 48% | 0.475 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 176 | 178.5 | -95.1 | 0 | 0 | 0 | 111.5 | F44 V45 Q50 L51 W52 | F44-Y48 VanDerWaalsContact O-CB 3.27Å; F44-Y48 WeakPolarHBondContact O-CB 3.35Å; F44-Y48 PolarHBondContact O-N 2.98Å; V45-Y48 PolarHBondContact O-N 3.02Å; Y48-Q50 VanDerWaalsContact C-N 3.31Å; Y48-Q50 PolarHBondContact O-N 2.92Å; Y48-L51 PolarHBondContact O-N 3.35Å; Y48-L51 VanDerWaalsContact O-N 3.15Å; Y48-W52 WeakPolarHBondContact O-CB 3.21Å; Y48-W52 PolarHBondContact O-N 3.41Å |
| 49 | L | 90.6 | Very high | 86.6 | Confident | 90 Ų | 90 | 66.7 Ų | 66.7 | 47% | 0.471 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61 | -38.8 | 175.8 | -72.2 | 170.3 | 0 | 0 | 0 | 111.9 | V45 F46 W52 L53 | V45-L49 HydrophobicContact CG1-CD1 3.92Å; V45-L49 HydrophobicContact CG1-CG 4.36Å; V45-L49 WeakPolarHBondContact O-CB 3.44Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.41Å; V45-L49 PolarHBondContact O-N 3.11Å; F46-L49 PolarHBondContact O-N 3.18Å; L49-W52 PolarHBondContact O-N 3.29Å; L49-L53 WeakPolarHBondContact O-CD1 3.21Å; L49-L53 VanDerWaalsContact O-CG 3.23Å; L49-L53 WeakPolarHBondContact O-CG 3.44Å; L49-L53 PolarHBondContact O-N 2.9Å |
| 50 | Q | 88.6 | Confident | 85.5 | Confident | 7 Ų | 7 | 72.2 Ų | 72.2 | 3% | 0.033 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 172.4 | -71.4 | -171.3 | 37.9 | 0 | 0 | 112.5 | F46 V47 Y48 W52 L53 I54 L69 V304 R308 V309 | F46-Q50 VanDerWaalsContact CZ-NE2 3.32Å; F46-Q50 WeakPolarHBondContact O-CG 3.41Å; F46-Q50 PolarHBondContact O-N 2.9Å; V47-Q50 WeakPolarHBondContact O-CB 3.42Å; V47-Q50 PolarHBondContact O-N 2.81Å; Y48-Q50 VanDerWaalsContact C-N 3.31Å; Y48-Q50 PolarHBondContact O-N 2.92Å; Q50-W52 VanDerWaalsContact C-N 3.32Å; Q50-W52 PolarHBondContact O-N 2.88Å; Q50-L53 WeakPolarHBondContact O-CB 3.31Å; Q50-L53 PolarHBondContact O-N 3.18Å; Q50-I54 PolarHBondContact O-N 3.09Å; Q50-L69 HydrophobicContact CB-CD1 4.01Å; Q50-L69 HydrophobicContact CB-CD2 4.47Å; Q50-L69 VanDerWaalsContact OE1-CD2 3.25Å; Q50-V304 PolarHBondContact NE2-O 2.93Å; Q50-R308 VanDerWaalsContact OE1-CA 3.3Å; Q50-V309 HydrophobicContact CB-CG2 4.01Å; Q50-V309 HydrophobicContact CG-CG2 4.45Å |
| 51 | L | 87.4 | Confident | 84.1 | Confident | 44 Ų | 44 | 81.5 Ų | 81.5 | 23% | 0.23 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -66.7 | -35.4 | 179.7 | -166 | 64.1 | 0 | 0 | 0 | 111.7 | V47 Y48 I54 L55 F70 L73 | V47-L51 PolarHBondContact O-N 3.46Å; Y48-L51 PolarHBondContact O-N 3.35Å; Y48-L51 VanDerWaalsContact O-N 3.15Å; L51-I54 PolarHBondContact O-N 3.28Å; L51-L55 PolarHBondContact O-N 2.93Å; L51-F70 HydrophobicContact CD2-CD2 4.44Å; L51-L73 HydrophobicContact CD2-CD2 4.05Å |
| 52 | W | 87.1 | Confident | 82.8 | Confident | 139 Ų | 139 | 88.1 Ų | 88.1 | 53% | 0.527 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -61.4 | -44.6 | 169.5 | 180 | -96.9 | 0 | 0 | 0 | 112.1 | Y48 L49 Q50 I54 L55 H56 | Y48-W52 WeakPolarHBondContact O-CB 3.21Å; Y48-W52 PolarHBondContact O-N 3.41Å; L49-W52 PolarHBondContact O-N 3.29Å; Q50-W52 VanDerWaalsContact C-N 3.32Å; Q50-W52 PolarHBondContact O-N 2.88Å; W52-I54 VanDerWaalsContact C-N 3.33Å; W52-I54 PolarHBondContact O-N 3Å; W52-L55 PolarHBondContact O-N 3.41Å; W52-L55 VanDerWaalsContact O-N 3.14Å; W52-H56 WeakPolarHBondContact O-CB 3.34Å; W52-H56 PolarHBondContact O-N 3.24Å |
| 53 | L | 84.5 | Confident | 82.2 | Confident | 58 Ų | 58 | 83.8 Ų | 83.8 | 30% | 0.304 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61.5 | -37.5 | 175.6 | -72.4 | 161.9 | 0 | 0 | 0 | 112.3 | L49 Q50 L55 H56 Y57 V309 | L49-L53 WeakPolarHBondContact O-CD1 3.21Å; L49-L53 VanDerWaalsContact O-CG 3.23Å; L49-L53 WeakPolarHBondContact O-CG 3.44Å; L49-L53 PolarHBondContact O-N 2.9Å; Q50-L53 WeakPolarHBondContact O-CB 3.31Å; Q50-L53 PolarHBondContact O-N 3.18Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L55 PolarHBondContact O-N 2.98Å; L53-H56 PolarHBondContact O-N 2.87Å; L53-Y57 HydrophobicContact CB-CD2 4.28Å; L53-Y57 HydrophobicContact CB-CE2 4.1Å; L53-Y57 HydrophobicContact CD2-CE2 3.71Å; L53-Y57 HydrophobicContact CG-CE2 4.48Å; L53-Y57 WeakPolarHBondContact O-CB 3.49Å; L53-Y57 WeakPolarHBondContact O-CD2 3.45Å; L53-Y57 PolarHBondContact O-N 2.88Å; L53-V309 HydrophobicContact CB-CG1 4.14Å |
| 54 | I | 84.2 | Confident | 81.7 | Confident | 10 Ų | 10 | 85.8 Ų | 85.8 | 5% | 0.051 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -60.7 | -44 | 173.2 | -68.5 | 177.5 | 0 | 0 | 0 | 111.2 | Q50 L51 W52 H59 Q65 L69 V309 | Q50-I54 PolarHBondContact O-N 3.09Å; L51-I54 PolarHBondContact O-N 3.28Å; W52-I54 VanDerWaalsContact C-N 3.33Å; W52-I54 PolarHBondContact O-N 3Å; I54-H59 HydrophobicContact CG2-CB 4.04Å; I54-H59 PolarHBondContact O-N 3.38Å; I54-Q65 HydrophobicContact CD1-CG 4.18Å; I54-L69 HydrophobicContact CD1-CD1 3.71Å; I54-V309 HydrophobicContact CD1-CG2 3.9Å; I54-V309 HydrophobicContact CG1-CG2 3.54Å |
| 55 | L | 82.1 | Confident | 81.3 | Confident | 87 Ų | 87 | 85.1 Ų | 85.1 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.6 | -45.5 | 179.1 | -177.6 | 62.2 | 0 | 0 | 0 | 111.5 | L51 W52 L53 G58 | L51-L55 PolarHBondContact O-N 2.93Å; W52-L55 PolarHBondContact O-N 3.41Å; W52-L55 VanDerWaalsContact O-N 3.14Å; L53-L55 VanDerWaalsContact C-N 3.34Å; L53-L55 PolarHBondContact O-N 2.98Å; L55-G58 PolarHBondContact O-N 2.89Å |
| 56 | H | 80.8 | Confident | 81 | Confident | 132 Ų | 132 | 82.2 Ų | 82.2 | 61% | 0.611 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.2 | -40.5 | -178.5 | -174.8 | -78.9 | 0 | 0 | 0 | 112.9 | W52 L53 G58 | W52-H56 WeakPolarHBondContact O-CB 3.34Å; W52-H56 PolarHBondContact O-N 3.24Å; L53-H56 PolarHBondContact O-N 2.87Å; H56-G58 PolarHBondContact O-N 3.42Å |
| 57 | Y | 79.1 | Confident | 80.9 | Confident | 84 Ų | 84 | 80.7 Ų | 80.7 | 33% | 0.329 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 11.2 | 176.1 | -62.5 | -45 | 0 | 0 | 0 | 113.9 | L53 H59 V309 | L53-Y57 HydrophobicContact CB-CD2 4.28Å; L53-Y57 HydrophobicContact CB-CE2 4.1Å; L53-Y57 HydrophobicContact CD2-CE2 3.71Å; L53-Y57 HydrophobicContact CG-CE2 4.48Å; L53-Y57 WeakPolarHBondContact O-CB 3.49Å; L53-Y57 WeakPolarHBondContact O-CD2 3.45Å; L53-Y57 PolarHBondContact O-N 2.88Å; Y57-H59 PolarHBondContact O-N 3.2Å; Y57-H59 VanDerWaalsContact O-N 3.09Å; Y57-V309 HydrophobicContact CD2-CG1 4.41Å |
| 58 | G | 64.1 | Low | 80.7 | Confident | 67 Ų | 67 | 80.7 Ų | 80.7 | 69% | 0.691 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 18.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L55 H56 | L55-G58 PolarHBondContact O-N 2.89Å; H56-G58 PolarHBondContact O-N 3.42Å |
| 59 | H | 66.9 | Low | 80.7 | Confident | 81 Ų | 81 | 75 Ų | 75 | 38% | 0.375 | 36% | 0.362 | S | S | . | . | trans | -65.5 | 153.1 | -177.7 | -73 | -35.3 | 0 | 0 | 0 | 111.6 | I54 Y57 R61 | I54-H59 HydrophobicContact CG2-CB 4.04Å; I54-H59 PolarHBondContact O-N 3.38Å; Y57-H59 PolarHBondContact O-N 3.2Å; Y57-H59 VanDerWaalsContact O-N 3.09Å; H59-R61 PolarHBondContact O-N 2.89Å | ||
| 60 | K | 68.3 | Low | 80.7 | Confident | 180 Ų | 180 | 76.3 Ų | 76.3 | 78% | 0.783 | 36% | 0.364 | S | S | * | . | trans | -60 | 105.1 | -177.4 | -174.1 | 166 | -176 | 164.3 | 0 | 110.6 | F62 | K60-F62 CarbonylContact O-C 3.1Å; K60-F62 PolarHBondContact O-N 2.7Å | ||
| 61 | R | 61.5 | Low | 80.9 | Confident | 194 Ų | 194 | 77 Ų | 77 | 73% | 0.732 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -49.7 | -36.1 | -167.4 | -63.5 | -176.8 | 179.9 | -179.9 | -0.3 | 114.5 | H59 S66 | H59-R61 PolarHBondContact O-N 2.89Å; R61-S66 WeakPolarHBondContact O-CB 3.3Å; R61-S66 PolarHBondContact O-OG 3.18Å |
| 62 | F | 64.4 | Low | 81.1 | Confident | 181 Ų | 181 | 75 Ų | 75 | 79% | 0.794 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -97.1 | 94.9 | 170.7 | -111.8 | -93.3 | 0 | 0 | 0 | 111 | K60 V67 | K60-F62 CarbonylContact O-C 3.1Å; K60-F62 PolarHBondContact O-N 2.7Å; F62-V67 HydrophobicContact CD1-CG2 4.28Å; F62-V67 HydrophobicContact CE1-CG2 4.13Å |
| 63 | S | 80.8 | Confident | 81.4 | Confident | 55 Ų | 55 | 69.4 Ų | 69.4 | 39% | 0.385 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -133.2 | 158 | 174.6 | -179.2 | 0 | 0 | 0 | 0 | 108.8 | Q65 S66 V67 | S63-Q65 PolarHBondContact O-N 3.33Å; S63-S66 PolarHBondContact N-OG 3Å; S63-S66 PolarHBondContact O-N 2.89Å; S63-S66 PolarHBondContact O-OG 3.33Å; S63-V67 WeakPolarHBondContact O-CG2 3.06Å; S63-V67 PolarHBondContact O-N 3.27Å; S63-V67 VanDerWaalsContact O-N 3.15Å |
| 64 | Y | 82.1 | Confident | 81.8 | Confident | 54 Ų | 54 | 70 Ų | 70 | 21% | 0.212 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -53.6 | -44.3 | 174.8 | -80.2 | -76.1 | 0 | 0 | 0 | 111.4 | S66 V67 F68 L118 L121 Y122 Q125 R146 | Y64-S66 PolarHBondContact O-N 3.42Å; Y64-V67 PolarHBondContact O-N 3.49Å; Y64-F68 WeakPolarHBondContact O-CD2 3.33Å; Y64-F68 PolarHBondContact O-N 3.03Å; Y64-L118 HydrophobicContact CE1-CD2 4.46Å; Y64-L121 HydrophobicContact CE1-CD2 3.96Å; Y64-L121 HydrophobicContact CE1-CG 4.06Å; Y64-Y122 HydrophobicContact CG-CD2 4.38Å; Y64-Q125 VanDerWaalsContact CZ-NE2 3.33Å; Y64-Q125 PolarHBondContact OH-NE2 3.4Å; Y64-R146 VanDerWaalsContact OH-CZ 3.26Å; Y64-R146 PolarHBondContact OH-NE 2.94Å; Y64-R146 PolarHBondContact OH-NH2 3.32Å |
| 65 | Q | 85.6 | Confident | 82.2 | Confident | 56 Ų | 56 | 69.6 Ų | 69.6 | 26% | 0.262 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -56.9 | -45 | 177.7 | -172.9 | 176.1 | 14 | 0 | 0 | 113.6 | I54 S63 L69 F307 | I54-Q65 HydrophobicContact CD1-CG 4.18Å; S63-Q65 PolarHBondContact O-N 3.33Å; Q65-L69 HydrophobicContact CG-CD1 4.2Å; Q65-L69 WeakPolarHBondContact O-CG 3.43Å; Q65-L69 PolarHBondContact O-N 3.06Å; Q65-L69 VanDerWaalsContact O-N 3.07Å; Q65-F307 HydrophobicContact CG-CB 4.33Å; Q65-F307 WeakPolarHBondContact CG-O 3.47Å; Q65-F307 PolarHBondContact NE2-O 2.96Å |
| 66 | S | 86.3 | Confident | 82.7 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 8% | 0.077 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -72.9 | -33.2 | -179.4 | 52.5 | 0 | 0 | 0 | 0 | 112.4 | R61 S63 Y64 F70 | R61-S66 WeakPolarHBondContact O-CB 3.3Å; R61-S66 PolarHBondContact O-OG 3.18Å; S63-S66 PolarHBondContact N-OG 3Å; S63-S66 PolarHBondContact O-N 2.89Å; S63-S66 PolarHBondContact O-OG 3.33Å; Y64-S66 PolarHBondContact O-N 3.42Å; S66-F70 WeakPolarHBondContact O-CB 3.46Å; S66-F70 PolarHBondContact O-N 3.41Å |
| 67 | V | 89.6 | Confident | 83.2 | Confident | 44 Ų | 44 | 60.5 Ų | 60.5 | 27% | 0.267 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 174.1 | -174.8 | 0 | 0 | 0 | 0 | 111.3 | F62 S63 Y64 F70 L71 L118 | F62-V67 HydrophobicContact CD1-CG2 4.28Å; F62-V67 HydrophobicContact CE1-CG2 4.13Å; S63-V67 WeakPolarHBondContact O-CG2 3.06Å; S63-V67 PolarHBondContact O-N 3.27Å; S63-V67 VanDerWaalsContact O-N 3.15Å; Y64-V67 PolarHBondContact O-N 3.49Å; V67-F70 PolarHBondContact O-N 3.16Å; V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 3.49Å; V67-L118 HydrophobicContact CB-CD1 4.25Å; V67-L118 HydrophobicContact CG1-CD1 3.55Å |
| 68 | F | 89.9 | Confident | 83.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.3 | -51.6 | 172.1 | -78.6 | -64.1 | 0 | 0 | 0 | 111.7 | Y64 F70 L71 C72 T115 L118 L119 Y122 V303 F307 | Y64-F68 WeakPolarHBondContact O-CD2 3.33Å; Y64-F68 PolarHBondContact O-N 3.03Å; F68-F70 VanDerWaalsContact C-N 3.3Å; F68-F70 PolarHBondContact O-N 3.45Å; F68-L71 PolarHBondContact O-N 3.14Å; F68-C72 PolarHBondContact O-N 3.4Å; F68-C72 PolarHBondContact O-SG 3.05Å; F68-T115 HydrophobicContact CD1-CG2 4.25Å; F68-T115 HydrophobicContact CE1-CG2 4.49Å; F68-L118 HydrophobicContact CD1-CB 4.08Å; F68-L118 HydrophobicContact CD1-CD1 4.43Å; F68-L118 HydrophobicContact CE1-CB 3.39Å; F68-L118 VanDerWaalsContact CZ-C 3.4Å; F68-L118 HydrophobicContact CZ-CB 3.66Å; F68-L118 WeakPolarHBondContact CZ-O 3.5Å; F68-L119 HydrophobicContact CE1-CB 4.27Å; F68-L119 HydrophobicContact CZ-CB 4.39Å; F68-L119 HydrophobicContact CZ-CD1 4.33Å; F68-Y122 HydrophobicContact CE2-CG 4.41Å; F68-V303 HydrophobicContact CD1-CG1 4.33Å; F68-F307 HydrophobicContact CB-CD2 4.13Å; F68-F307 HydrophobicContact CD1-CD2 4.27Å; F68-F307 AromaticContact CD1-CE2 3.99Å; F68-F307 HydrophobicContact CD1-CE2 3.99Å; F68-F307 HydrophobicContact CD2-CD1 4.04Å; F68-F307 AromaticContact CD2-CD2 3.61Å; F68-F307 HydrophobicContact CD2-CD2 3.61Å; F68-F307 AromaticContact CD2-CE1 3.88Å; F68-F307 HydrophobicContact CD2-CE1 3.88Å; F68-F307 AromaticContact CD2-CE2 3.41Å; F68-F307 HydrophobicContact CD2-CE2 3.41Å; F68-F307 VanDerWaalsContact CD2-CE2 3.41Å; F68-F307 AromaticContact CD2-CG 3.93Å; F68-F307 HydrophobicContact CD2-CG 3.93Å; F68-F307 AromaticContact CD2-CZ 3.58Å; F68-F307 HydrophobicContact CD2-CZ 3.58Å; F68-F307 AromaticContact CE1-CE2 3.87Å; F68-F307 HydrophobicContact CE1-CE2 3.87Å; F68-F307 HydrophobicContact CE1-CZ 4.37Å; F68-F307 HydrophobicContact CE2-CD1 4.32Å; F68-F307 HydrophobicContact CE2-CD2 4.03Å; F68-F307 AromaticContact CE2-CE1 3.69Å; F68-F307 HydrophobicContact CE2-CE1 3.69Å; F68-F307 AromaticContact CE2-CE2 3.33Å; F68-F307 HydrophobicContact CE2-CE2 3.33Å; F68-F307 HydrophobicContact CE2-CG 4.49Å; F68-F307 AromaticContact CE2-CZ 3.14Å; F68-F307 HydrophobicContact CE2-CZ 3.14Å; F68-F307 AromaticContact CG-CD2 3.77Å; F68-F307 HydrophobicContact CG-CD2 3.77Å; F68-F307 AromaticContact CG-CE2 3.78Å; F68-F307 HydrophobicContact CG-CE2 3.78Å; F68-F307 HydrophobicContact CG-CG 4.37Å; F68-F307 HydrophobicContact CG-CZ 4.39Å; F68-F307 HydrophobicContact CZ-CD2 4.49Å; F68-F307 AromaticContact CZ-CE2 3.56Å; F68-F307 HydrophobicContact CZ-CE2 3.56Å; F68-F307 AromaticContact CZ-CZ 3.6Å; F68-F307 HydrophobicContact CZ-CZ 3.6Å |
| 69 | L | 90 | Very high | 84.8 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -34.8 | -178.7 | -67.8 | 169 | 0 | 0 | 0 | 111.6 | V47 Q50 I54 Q65 C72 L73 V304 V309 | V47-L69 HydrophobicContact CG1-CB 4.1Å; V47-L69 HydrophobicContact CG1-CD2 4.1Å; V47-L69 WeakPolarHBondContact CG1-O 3.24Å; Q50-L69 HydrophobicContact CB-CD1 4.01Å; Q50-L69 HydrophobicContact CB-CD2 4.47Å; Q50-L69 VanDerWaalsContact OE1-CD2 3.25Å; I54-L69 HydrophobicContact CD1-CD1 3.71Å; Q65-L69 HydrophobicContact CG-CD1 4.2Å; Q65-L69 WeakPolarHBondContact O-CG 3.43Å; Q65-L69 PolarHBondContact O-N 3.06Å; Q65-L69 VanDerWaalsContact O-N 3.07Å; L69-C72 PolarHBondContact O-N 3.21Å; L69-L73 VanDerWaalsContact O-CB 3.24Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 PolarHBondContact O-N 3.3Å; L69-V304 HydrophobicContact CD2-CG1 4.34Å; L69-V304 HydrophobicContact CD2-CG2 4.47Å; L69-V309 HydrophobicContact CD1-CG2 4.4Å |
| 70 | F | 90.9 | Very high | 85.8 | Confident | 118 Ų | 118 | 51.5 Ų | 51.5 | 52% | 0.518 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.9 | -43.3 | 173.3 | -172.9 | -95.6 | 0 | 0 | 0 | 112.9 | L51 S66 V67 F68 L73 L74 | L51-F70 HydrophobicContact CD2-CD2 4.44Å; S66-F70 WeakPolarHBondContact O-CB 3.46Å; S66-F70 PolarHBondContact O-N 3.41Å; V67-F70 PolarHBondContact O-N 3.16Å; F68-F70 VanDerWaalsContact C-N 3.3Å; F68-F70 PolarHBondContact O-N 3.45Å; F70-L73 PolarHBondContact O-N 3.02Å; F70-L74 PolarHBondContact O-N 2.9Å |
| 71 | L | 92.3 | Very high | 86.6 | Confident | 21 Ų | 21 | 45.8 Ų | 45.8 | 11% | 0.11 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.7 | -43.2 | 173.9 | -68.8 | 180 | 0 | 0 | 0 | 111.7 | V67 F68 L73 L74 W75 L111 F114 L118 | V67-L71 WeakPolarHBondContact O-CG 3.29Å; V67-L71 PolarHBondContact O-N 3.49Å; F68-L71 PolarHBondContact O-N 3.14Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.83Å; L71-L74 PolarHBondContact O-N 3.32Å; L71-W75 VanDerWaalsContact O-CB 3.28Å; L71-W75 WeakPolarHBondContact O-CB 3.37Å; L71-W75 PolarHBondContact O-N 3.23Å; L71-L111 HydrophobicContact CD2-CD2 3.77Å; L71-F114 HydrophobicContact CD1-CB 3.77Å; L71-F114 HydrophobicContact CD2-CB 4.46Å; L71-F114 HydrophobicContact CD2-CD2 4.2Å; L71-L118 HydrophobicContact CD1-CD1 3.58Å; L71-L118 HydrophobicContact CD1-CG 4.47Å |
| 72 | C | 92 | Very high | 87.6 | Confident | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.014 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.6 | -35.8 | 177.6 | -62.4 | 0 | 0 | 0 | 0 | 112 | V47 F68 L69 A76 T300 V304 | V47-C72 HydrophobicContact CG1-CB 4.36Å; V47-C72 HydrophobicContact CG2-CB 4.32Å; F68-C72 PolarHBondContact O-N 3.4Å; F68-C72 PolarHBondContact O-SG 3.05Å; L69-C72 PolarHBondContact O-N 3.21Å; C72-A76 VanDerWaalsContact O-CB 3.26Å; C72-A76 WeakPolarHBondContact O-CB 3.27Å; C72-A76 PolarHBondContact O-N 3.24Å; C72-T300 HydrophobicContact CB-CG2 4.18Å; C72-V304 HydrophobicContact CB-CG2 3.6Å |
| 73 | L | 93.3 | Very high | 88.2 | Confident | 22 Ų | 22 | 28.5 Ų | 28.5 | 12% | 0.115 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66 | -48.5 | 176.4 | -172.3 | 70.4 | 0 | 0 | 0 | 111 | F44 V47 L51 L69 F70 L71 W75 A76 A77 | F44-L73 HydrophobicContact CD2-CD1 3.49Å; F44-L73 VanDerWaalsContact CD2-CD1 3.49Å; F44-L73 HydrophobicContact CD2-CG 4.15Å; F44-L73 HydrophobicContact CE2-CD1 3.44Å; F44-L73 VanDerWaalsContact CE2-CD1 3.44Å; F44-L73 HydrophobicContact CE2-CG 3.84Å; F44-L73 HydrophobicContact CG-CD1 4.2Å; F44-L73 HydrophobicContact CZ-CD1 4.11Å; F44-L73 WeakPolarHBondContact O-CD1 3.48Å; V47-L73 HydrophobicContact CB-CD1 4.17Å; V47-L73 HydrophobicContact CG1-CB 3.74Å; V47-L73 HydrophobicContact CG1-CD1 4.04Å; V47-L73 HydrophobicContact CG1-CG 4.49Å; L51-L73 HydrophobicContact CD2-CD2 4.05Å; L69-L73 VanDerWaalsContact O-CB 3.24Å; L69-L73 WeakPolarHBondContact O-CB 3.38Å; L69-L73 PolarHBondContact O-N 3.3Å; F70-L73 PolarHBondContact O-N 3.02Å; L71-L73 VanDerWaalsContact C-N 3.33Å; L71-L73 PolarHBondContact O-N 2.83Å; L73-W75 VanDerWaalsContact C-N 3.35Å; L73-A76 PolarHBondContact O-N 3.34Å; L73-A77 WeakPolarHBondContact O-CB 3.01Å; L73-A77 PolarHBondContact O-N 3.41Å |
| 74 | L | 92.9 | Very high | 88.1 | Confident | 69 Ų | 69 | 28.6 Ų | 28.6 | 36% | 0.361 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -62.9 | -43 | 177.4 | -178.6 | 60.6 | 0 | 0 | 0 | 110.9 | F70 L71 A77 L78 L111 | F70-L74 PolarHBondContact O-N 2.9Å; L71-L74 PolarHBondContact O-N 3.32Å; L74-A77 PolarHBondContact O-N 3.02Å; L74-L78 HydrophobicContact CD1-CG 4.46Å; L74-L78 HydrophobicContact CG-CD1 4.36Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 2.92Å; L74-L111 HydrophobicContact CB-CD1 4.2Å; L74-L111 HydrophobicContact CD2-CD1 4Å; L74-L111 HydrophobicContact CD2-CD2 3.92Å; L74-L111 HydrophobicContact CG-CD1 3.78Å |
| 75 | W | 93.7 | Very high | 87.7 | Confident | 3 Ų | 3 | 30.2 Ų | 30.2 | 1% | 0.011 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 176.1 | 177.8 | 85 | 0 | 0 | 0 | 112.4 | Y40 L43 L71 L73 A77 L78 R79 P108 L111 E296 T300 | Y40-W75 HydrophobicContact CD1-CH2 4.1Å; Y40-W75 HydrophobicContact CD1-CZ3 4.21Å; Y40-W75 AromaticContact CE1-CH2 3.58Å; Y40-W75 HydrophobicContact CE1-CH2 3.58Å; Y40-W75 HydrophobicContact CE1-CZ2 4.29Å; Y40-W75 HydrophobicContact CE1-CZ3 4.14Å; L43-W75 HydrophobicContact CD2-CZ3 3.9Å; L71-W75 VanDerWaalsContact O-CB 3.28Å; L71-W75 WeakPolarHBondContact O-CB 3.37Å; L71-W75 PolarHBondContact O-N 3.23Å; L73-W75 VanDerWaalsContact C-N 3.35Å; W75-A77 VanDerWaalsContact C-N 3.33Å; W75-A77 PolarHBondContact O-N 3.13Å; W75-L78 PolarHBondContact O-N 3.49Å; W75-R79 HydrophobicContact CD2-CG 4.47Å; W75-R79 HydrophobicContact CH2-CG 4.44Å; W75-R79 HydrophobicContact CZ2-CG 3.75Å; W75-R79 PolarHBondContact O-N 3.23Å; W75-P108 VanDerWaalsContact CD1-O 3.31Å; W75-L111 HydrophobicContact CB-CB 4.18Å; W75-L111 HydrophobicContact CB-CD1 3.94Å; W75-E296 HydrophobicContact CH2-CB 4.31Å; W75-E296 WeakPolarHBondContact CH2-O 3.47Å; W75-E296 HydrophobicContact CZ2-CB 3.8Å; W75-T300 HydrophobicContact CD2-CG2 4.34Å; W75-T300 HydrophobicContact CE3-CG2 3.6Å; W75-T300 HydrophobicContact CZ3-CG2 3.71Å |
| 76 | A | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -65.4 | -36 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | F44 C72 L73 T80 | F44-A76 HydrophobicContact CB-CB 3.96Å; C72-A76 VanDerWaalsContact O-CB 3.26Å; C72-A76 WeakPolarHBondContact O-CB 3.27Å; C72-A76 PolarHBondContact O-N 3.24Å; L73-A76 PolarHBondContact O-N 3.34Å; A76-T80 VanDerWaalsContact O-CB 3.24Å; A76-T80 WeakPolarHBondContact O-CB 3.37Å; A76-T80 PolarHBondContact O-N 3.12Å; A76-T80 PolarHBondContact O-OG1 3.19Å |
| 77 | A | 91 | Very high | 85.9 | Confident | 28 Ų | 28 | 33 Ų | 33 | 23% | 0.231 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.1 | -46.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | F44 L73 L74 W75 T80 T81 | F44-A77 HydrophobicContact CD2-CB 3.94Å; F44-A77 HydrophobicContact CE2-CB 3.83Å; L73-A77 WeakPolarHBondContact O-CB 3.01Å; L73-A77 PolarHBondContact O-N 3.41Å; L74-A77 PolarHBondContact O-N 3.02Å; W75-A77 VanDerWaalsContact C-N 3.33Å; W75-A77 PolarHBondContact O-N 3.13Å; A77-T80 PolarHBondContact O-N 2.8Å; A77-T81 VanDerWaalsContact O-CB 3.29Å; A77-T81 WeakPolarHBondContact O-CB 3.24Å; A77-T81 PolarHBondContact O-N 3.41Å; A77-T81 PolarHBondContact O-OG1 3.18Å |
| 78 | L | 89.2 | Confident | 84.3 | Confident | 13 Ų | 13 | 39 Ų | 39 | 7% | 0.068 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.9 | -46.9 | 178.3 | -68.7 | 173.9 | 0 | 0 | 0 | 111.8 | L74 W75 T81 L82 L103 L104 C107 P108 L111 | L74-L78 HydrophobicContact CD1-CG 4.46Å; L74-L78 HydrophobicContact CG-CD1 4.36Å; L74-L78 VanDerWaalsContact O-CG 3.3Å; L74-L78 WeakPolarHBondContact O-CG 3.36Å; L74-L78 PolarHBondContact O-N 2.92Å; W75-L78 PolarHBondContact O-N 3.49Å; L78-T81 PolarHBondContact O-N 3.34Å; L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 PolarHBondContact O-N 3.47Å; L78-L103 HydrophobicContact CD1-CD1 4.29Å; L78-L103 HydrophobicContact CD2-CD1 3.92Å; L78-L103 HydrophobicContact CD2-CD2 4.42Å; L78-L103 HydrophobicContact CD2-CG 3.74Å; L78-L103 WeakPolarHBondContact CD2-O 3.43Å; L78-L104 HydrophobicContact CD2-CD2 4.27Å; L78-C107 HydrophobicContact CD1-CB 4.24Å; L78-P108 HydrophobicContact CB-CG 4.14Å; L78-P108 HydrophobicContact CD1-CG 4.31Å; L78-L111 HydrophobicContact CD1-CD1 3.73Å |
| 79 | R | 88.4 | Confident | 82.9 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 2% | 0.019 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -44.1 | 176 | -78.6 | -72.2 | -177.1 | -141 | 3.6 | 111.9 | Y40 W75 T81 L82 F83 S272 E296 | Y40-R79 HydrophobicContact CD1-CB 4.06Å; Y40-R79 HydrophobicContact CD2-CB 4.3Å; Y40-R79 HydrophobicContact CE1-CB 4.28Å; Y40-R79 HydrophobicContact CG-CB 4.09Å; W75-R79 HydrophobicContact CD2-CG 4.47Å; W75-R79 HydrophobicContact CH2-CG 4.44Å; W75-R79 HydrophobicContact CZ2-CG 3.75Å; W75-R79 PolarHBondContact O-N 3.23Å; R79-T81 VanDerWaalsContact C-N 3.29Å; R79-T81 PolarHBondContact O-N 2.83Å; R79-L82 PolarHBondContact O-N 2.78Å; R79-F83 VanDerWaalsContact O-CD2 3.24Å; R79-F83 WeakPolarHBondContact O-CD2 3.4Å; R79-F83 PolarHBondContact O-N 3.1Å; R79-F83 VanDerWaalsContact O-N 3.08Å; R79-S272 PolarHBondContact NH2-OG 3.28Å; R79-S272 VanDerWaalsContact NH2-OG 3.08Å; R79-E296 IonicContact CZ-OE1 3.79Å; R79-E296 IonicContact CZ-OE2 2.83Å; R79-E296 VanDerWaalsContact CZ-OE2 3.27Å; R79-E296 IonicContact NE-OE2 3.86Å; R79-E296 PolarHBondContact NE-OE2 3.16Å; R79-E296 IonicContact NH2-OE1 3.55Å; R79-E296 PolarHBondContact NH2-OE1 2.87Å; R79-E296 IonicContact NH2-OE2 3.33Å; R79-E296 PolarHBondContact NH2-OE2 2.91Å |
| 80 | T | 87.9 | Confident | 81.3 | Confident | 25 Ų | 25 | 47.1 Ų | 47.1 | 15% | 0.153 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.2 | -41.3 | 174.4 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | Y40 S41 A76 A77 S84 | Y40-T80 VanDerWaalsContact CB-OG1 3.31Å; Y40-T80 WeakPolarHBondContact CB-OG1 3.29Å; S41-T80 WeakPolarHBondContact OG-CG2 3.17Å; A76-T80 VanDerWaalsContact O-CB 3.24Å; A76-T80 WeakPolarHBondContact O-CB 3.37Å; A76-T80 PolarHBondContact O-N 3.12Å; A76-T80 PolarHBondContact O-OG1 3.19Å; A77-T80 PolarHBondContact O-N 2.8Å; T80-S84 WeakPolarHBondContact O-CB 3.29Å; T80-S84 PolarHBondContact O-N 3.48Å |
| 81 | T | 85.4 | Confident | 79.4 | Confident | 59 Ų | 59 | 47.3 Ų | 47.3 | 36% | 0.362 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 178 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | A77 L78 R79 S84 F85 L104 | A77-T81 VanDerWaalsContact O-CB 3.29Å; A77-T81 WeakPolarHBondContact O-CB 3.24Å; A77-T81 PolarHBondContact O-N 3.41Å; A77-T81 PolarHBondContact O-OG1 3.18Å; L78-T81 PolarHBondContact O-N 3.34Å; R79-T81 VanDerWaalsContact C-N 3.29Å; R79-T81 PolarHBondContact O-N 2.83Å; T81-S84 PolarHBondContact O-N 3.47Å; T81-F85 HydrophobicContact CG2-CD2 3.84Å; T81-F85 HydrophobicContact CG2-CE2 3.51Å; T81-F85 VanDerWaalsContact O-CD2 3.28Å; T81-F85 WeakPolarHBondContact O-CD2 3.39Å; T81-F85 PolarHBondContact O-N 3.3Å; T81-L104 HydrophobicContact CG2-CD2 3.8Å |
| 82 | L | 81.3 | Confident | 77.2 | Confident | 8 Ų | 8 | 51.8 Ų | 51.8 | 4% | 0.042 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -53.8 | 177 | 179.5 | 70.4 | 0 | 0 | 0 | 111.7 | L78 R79 S84 F85 Y86 L104 Y105 | L78-L82 WeakPolarHBondContact O-CB 3.49Å; L78-L82 PolarHBondContact O-N 3.47Å; R79-L82 PolarHBondContact O-N 2.78Å; L82-S84 VanDerWaalsContact C-N 3.3Å; L82-S84 PolarHBondContact O-N 3.28Å; L82-F85 PolarHBondContact O-N 3.48Å; L82-F85 VanDerWaalsContact O-N 3.14Å; L82-Y86 HydrophobicContact CD1-CD2 4.39Å; L82-Y86 HydrophobicContact CD1-CE2 3.94Å; L82-Y86 HydrophobicContact CG-CD2 4.27Å; L82-Y86 HydrophobicContact CG-CE2 4.08Å; L82-Y86 WeakPolarHBondContact O-CD2 3.5Å; L82-Y86 PolarHBondContact O-N 2.81Å; L82-Y86 VanDerWaalsContact O-N 3.16Å; L82-L104 HydrophobicContact CD1-CB 4.17Å; L82-Y105 HydrophobicContact CD1-CD1 4.13Å; L82-Y105 HydrophobicContact CD1-CE1 3.57Å; L82-Y105 HydrophobicContact CD1-CE2 4.26Å; L82-Y105 HydrophobicContact CD2-CD1 4.43Å; L82-Y105 HydrophobicContact CD2-CE1 4.34Å |
| 83 | F | 78.3 | Confident | 75.3 | Confident | 5 Ų | 5 | 51.9 Ų | 51.9 | 2% | 0.022 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.7 | -31.5 | 179.5 | -72.4 | -73.6 | 0 | 0 | 0 | 112.6 | T33 T37 Y40 R79 F85 Y86 F87 L292 | T33-F83 HydrophobicContact CG2-CB 4.5Å; T33-F83 HydrophobicContact CG2-CD1 4.09Å; T37-F83 VanDerWaalsContact OG1-CB 3.27Å; T37-F83 WeakPolarHBondContact OG1-CB 3.33Å; Y40-F83 AromaticContact CD2-CD2 3.64Å; Y40-F83 HydrophobicContact CD2-CD2 3.64Å; Y40-F83 AromaticContact CD2-CE2 3.84Å; Y40-F83 HydrophobicContact CD2-CE2 3.84Å; Y40-F83 AromaticContact CE2-CD2 3.58Å; Y40-F83 HydrophobicContact CE2-CD2 3.58Å; Y40-F83 AromaticContact CE2-CE2 3.25Å; Y40-F83 HydrophobicContact CE2-CE2 3.25Å; Y40-F83 HydrophobicContact CE2-CZ 4.13Å; R79-F83 VanDerWaalsContact O-CD2 3.24Å; R79-F83 WeakPolarHBondContact O-CD2 3.4Å; R79-F83 PolarHBondContact O-N 3.1Å; R79-F83 VanDerWaalsContact O-N 3.08Å; F83-F85 VanDerWaalsContact C-N 3.34Å; F83-F85 PolarHBondContact O-N 3.07Å; F83-Y86 PolarHBondContact O-N 3.49Å; F83-F87 WeakPolarHBondContact O-CD2 3.4Å; F83-F87 PolarHBondContact O-N 2.89Å; F83-L292 HydrophobicContact CZ-CD1 3.85Å |
| 84 | S | 78.4 | Confident | 73.3 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 40% | 0.399 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.4 | -30.4 | 172.3 | -169.4 | 0 | 0 | 0 | 0 | 113.4 | T80 T81 L82 F87 | T80-S84 WeakPolarHBondContact O-CB 3.29Å; T80-S84 PolarHBondContact O-N 3.48Å; T81-S84 PolarHBondContact O-N 3.47Å; L82-S84 VanDerWaalsContact C-N 3.3Å; L82-S84 PolarHBondContact O-N 3.28Å; S84-F87 WeakPolarHBondContact O-CB 3.24Å; S84-F87 PolarHBondContact O-N 2.99Å |
| 85 | F | 73.4 | Confident | 71.5 | Confident | 88 Ų | 88 | 59.3 Ų | 59.3 | 39% | 0.386 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -72.1 | -44.5 | 171.6 | -81.9 | -57.5 | 0 | 0 | 0 | 112.5 | T81 L82 F83 F87 K88 N89 L104 | T81-F85 HydrophobicContact CG2-CD2 3.84Å; T81-F85 HydrophobicContact CG2-CE2 3.51Å; T81-F85 VanDerWaalsContact O-CD2 3.28Å; T81-F85 WeakPolarHBondContact O-CD2 3.39Å; T81-F85 PolarHBondContact O-N 3.3Å; L82-F85 PolarHBondContact O-N 3.48Å; L82-F85 VanDerWaalsContact O-N 3.14Å; F83-F85 VanDerWaalsContact C-N 3.34Å; F83-F85 PolarHBondContact O-N 3.07Å; F85-F87 PolarHBondContact O-N 2.79Å; F85-K88 PolarHBondContact O-N 3.39Å; F85-N89 PolarHBondContact O-N 3.32Å; F85-L104 HydrophobicContact CD2-CD1 4.02Å; F85-L104 HydrophobicContact CE2-CD1 4.07Å |
| 86 | Y | 68.3 | Low | 69.8 | Low | 53 Ų | 53 | 61.5 Ų | 61.5 | 21% | 0.208 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.1 | -34.1 | 171.5 | -83.1 | -70.9 | 0 | 0 | 0 | 112.1 | L82 F83 K88 Y105 | L82-Y86 HydrophobicContact CD1-CD2 4.39Å; L82-Y86 HydrophobicContact CD1-CE2 3.94Å; L82-Y86 HydrophobicContact CG-CD2 4.27Å; L82-Y86 HydrophobicContact CG-CE2 4.08Å; L82-Y86 WeakPolarHBondContact O-CD2 3.5Å; L82-Y86 PolarHBondContact O-N 2.81Å; L82-Y86 VanDerWaalsContact O-N 3.16Å; F83-Y86 PolarHBondContact O-N 3.49Å; Y86-K88 PolarHBondContact O-N 2.9Å; Y86-Y105 PolarHBondContact OH-OH 3.34Å; Y86-Y105 VanDerWaalsContact OH-OH 3.13Å |
| 87 | F | 64.7 | Low | 68.6 | Low | 72 Ų | 72 | 68.8 Ų | 68.8 | 32% | 0.316 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.7 | -30.3 | 175.2 | -104.4 | -64.3 | 0 | 0 | 0 | 116 | L30 T33 T34 T37 F83 S84 F85 | L30-F87 HydrophobicContact CD1-CD1 4.07Å; L30-F87 HydrophobicContact CD1-CE1 3.55Å; L30-F87 HydrophobicContact CD1-CZ 4.46Å; L30-F87 HydrophobicContact CG-CE1 4.23Å; T33-F87 VanDerWaalsContact C-CE2 3.49Å; T33-F87 HydrophobicContact CG2-CD2 3.71Å; T33-F87 HydrophobicContact CG2-CE2 3.38Å; T33-F87 HydrophobicContact CG2-CG 4.49Å; T33-F87 HydrophobicContact CG2-CZ 3.92Å; T33-F87 WeakPolarHBondContact O-CE2 3.28Å; T34-F87 VanDerWaalsContact CA-CZ 3.47Å; T34-F87 WeakPolarHBondContact OG1-CZ 3.16Å; T37-F87 WeakPolarHBondContact OG1-CE2 3.1Å; F83-F87 WeakPolarHBondContact O-CD2 3.4Å; F83-F87 PolarHBondContact O-N 2.89Å; S84-F87 WeakPolarHBondContact O-CB 3.24Å; S84-F87 PolarHBondContact O-N 2.99Å; F85-F87 PolarHBondContact O-N 2.79Å |
| 88 | K | 57.6 | Low | 67.4 | Low | 171 Ų | 171 | 71 Ų | 71 | 74% | 0.743 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -105.9 | -51.9 | -171.7 | -76.3 | -164.9 | 171.5 | -170.7 | 0 | 113.3 | F85 Y86 | F85-K88 PolarHBondContact O-N 3.39Å; Y86-K88 PolarHBondContact O-N 2.9Å |
| 89 | N | 60 | Low | 66.6 | Low | 85 Ų | 85 | 76.3 Ų | 76.3 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | trans | -143.1 | 80.5 | -170.5 | -77.4 | -20.8 | 0 | 0 | 0 | 110.8 | F85 V91 Q92 A93 | F85-N89 PolarHBondContact O-N 3.32Å; N89-V91 VanDerWaalsContact C-N 3.27Å; N89-V91 PolarHBondContact O-N 2.91Å; N89-Q92 HydrophobicContact CB-CB 3.65Å; N89-Q92 PolarHBondContact ND2-OE1 3.19Å; N89-Q92 PolarHBondContact O-N 3.42Å; N89-A93 PolarHBondContact O-N 3.3Å | ||
| 90 | V | 56.8 | Low | 65.9 | Low | 86 Ų | 86 | 77.4 Ų | 77.4 | 52% | 0.521 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -50.4 | -49 | 174.1 | -176.7 | 0 | 0 | 0 | 0 | 110.7 | Q92 A93 N94 | V90-Q92 PolarHBondContact O-N 3.07Å; V90-Q92 VanDerWaalsContact O-N 3.16Å; V90-A93 WeakPolarHBondContact O-CB 3.3Å; V90-A93 PolarHBondContact O-N 2.94Å; V90-N94 PolarHBondContact O-OD1 3.33Å |
| 91 | V | 50.1 | Low | 65.3 | Low | 122 Ų | 122 | 79.2 Ų | 79.2 | 74% | 0.739 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -62.3 | -26 | -178.4 | -174.5 | 0 | 0 | 0 | 0 | 113.6 | N89 | N89-V91 VanDerWaalsContact C-N 3.27Å; N89-V91 PolarHBondContact O-N 2.91Å |
| 92 | Q | 46.7 | Very low | 65 | Low | 114 Ų | 114 | 78.2 Ų | 78.2 | 53% | 0.533 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -90.3 | -20.1 | -177.3 | -158.7 | 176 | 21.9 | 0 | 0 | 112.7 | N89 V90 N94 Q95 | N89-Q92 HydrophobicContact CB-CB 3.65Å; N89-Q92 PolarHBondContact ND2-OE1 3.19Å; N89-Q92 PolarHBondContact O-N 3.42Å; V90-Q92 PolarHBondContact O-N 3.07Å; V90-Q92 VanDerWaalsContact O-N 3.16Å; Q92-N94 VanDerWaalsContact C-N 3.31Å; Q92-N94 PolarHBondContact O-N 3.45Å; Q92-Q95 PolarHBondContact O-N 3.41Å |
| 93 | A | 50.9 | Low | 65.1 | Low | 5 Ų | 5 | 81.3 Ų | 81.3 | 4% | 0.041 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | N89 V90 Q95 L96 | N89-A93 PolarHBondContact O-N 3.3Å; V90-A93 WeakPolarHBondContact O-CB 3.3Å; V90-A93 PolarHBondContact O-N 2.94Å; A93-Q95 PolarHBondContact O-N 2.75Å; A93-L96 WeakPolarHBondContact O-CB 3.37Å; A93-L96 WeakPolarHBondContact O-CD1 3.33Å; A93-L96 VanDerWaalsContact O-CG 3.25Å; A93-L96 WeakPolarHBondContact O-CG 3.45Å; A93-L96 PolarHBondContact O-N 2.75Å |
| 94 | N | 52.5 | Low | 65.1 | Low | 84 Ų | 84 | 81.6 Ų | 81.6 | 45% | 0.449 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -2.8 | 178.9 | -51.9 | 70.4 | 0 | 0 | 0 | 113.7 | V90 Q92 D276 | V90-N94 PolarHBondContact O-OD1 3.33Å; Q92-N94 VanDerWaalsContact C-N 3.31Å; Q92-N94 PolarHBondContact O-N 3.45Å; N94-D276 PolarHBondContact ND2-OD1 3.24Å; N94-D276 PolarHBondContact ND2-OD2 3.48Å |
| 95 | Q | 53.9 | Low | 64.9 | Low | 162 Ų | 162 | 79 Ų | 79 | 76% | 0.757 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.1 | 16.9 | 175.2 | -65.9 | -167.1 | -21.3 | 0 | 0 | 113.1 | Q92 A93 | Q92-Q95 PolarHBondContact O-N 3.41Å; A93-Q95 PolarHBondContact O-N 2.75Å |
| 96 | L | 59.8 | Low | 65.1 | Low | 49 Ų | 49 | 74.9 Ų | 74.9 | 26% | 0.257 | 38% | 0.379 | S | S | . | . | trans | -63.1 | 143.4 | 177 | -77.2 | 169.3 | 0 | 0 | 0 | 112.4 | A93 A100 L104 | A93-L96 WeakPolarHBondContact O-CB 3.37Å; A93-L96 WeakPolarHBondContact O-CD1 3.33Å; A93-L96 VanDerWaalsContact O-CG 3.25Å; A93-L96 WeakPolarHBondContact O-CG 3.45Å; A93-L96 PolarHBondContact O-N 2.75Å; L96-A100 HydrophobicContact CB-CB 4.18Å; L96-A100 HydrophobicContact CD2-CB 4.18Å; L96-L104 HydrophobicContact CD1-CD1 3.83Å | ||
| 97 | Q | 65.9 | Low | 65.9 | Low | 154 Ų | 154 | 73 Ų | 73 | 72% | 0.72 | 37% | 0.373 | S | S | * | . | trans | -56.6 | 151.4 | 177 | -75.1 | -174.9 | -14.5 | 0 | 0 | 112.2 | L99 A100 Y101 | Q97-L99 VanDerWaalsContact C-N 3.28Å; Q97-L99 PolarHBondContact O-N 2.92Å; Q97-A100 WeakPolarHBondContact O-CA 3.2Å; Q97-A100 WeakPolarHBondContact O-CB 3.35Å; Q97-A100 PolarHBondContact O-N 3.05Å; Q97-Y101 PolarHBondContact O-N 2.87Å | ||
| 98 | P | 66.9 | Low | 67 | Low | 75 Ų | 75 | 69.5 Ų | 69.5 | 49% | 0.487 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -41.1 | -47.5 | -178.7 | -37.4 | 38.5 | 0 | 0 | 0 | 116 | W102 Q168 | P98-W102 PolarHBondContact O-N 3.48Å; P98-Q168 PolarHBondContact O-NE2 3Å |
| 99 | L | 71.1 | Confident | 68.4 | Low | 123 Ų | 123 | 61.8 Ų | 61.8 | 64% | 0.644 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -73.4 | -33.1 | 179.7 | -62.8 | 177.4 | 0 | 0 | 0 | 113.2 | Q97 L103 | Q97-L99 VanDerWaalsContact C-N 3.28Å; Q97-L99 PolarHBondContact O-N 2.92Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 PolarHBondContact O-N 2.85Å |
| 100 | A | 74.8 | Confident | 69.8 | Low | 28 Ų | 28 | 57.8 Ų | 57.8 | 23% | 0.231 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -71.9 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L96 Q97 L103 L104 | L96-A100 HydrophobicContact CB-CB 4.18Å; L96-A100 HydrophobicContact CD2-CB 4.18Å; Q97-A100 WeakPolarHBondContact O-CA 3.2Å; Q97-A100 WeakPolarHBondContact O-CB 3.35Å; Q97-A100 PolarHBondContact O-N 3.05Å; A100-L103 PolarHBondContact O-N 2.67Å; A100-L104 WeakPolarHBondContact O-CB 3.28Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.41Å |
| 101 | Y | 75.1 | Confident | 71.5 | Confident | 63 Ų | 63 | 54 Ų | 54 | 25% | 0.247 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.6 | -53.2 | 170.6 | 179.1 | -88 | 0 | 0 | 0 | 111.1 | Q97 L103 L104 Y105 D273 | Q97-Y101 PolarHBondContact O-N 2.87Å; Y101-L103 VanDerWaalsContact C-N 3.31Å; Y101-L103 PolarHBondContact O-N 2.98Å; Y101-L104 PolarHBondContact O-N 3.4Å; Y101-Y105 AromaticContact CD2-CD2 3.54Å; Y101-Y105 HydrophobicContact CD2-CD2 3.54Å; Y101-Y105 AromaticContact CD2-CE2 3.72Å; Y101-Y105 HydrophobicContact CD2-CE2 3.72Å; Y101-Y105 AromaticContact CE2-CD2 3.56Å; Y101-Y105 HydrophobicContact CE2-CD2 3.56Å; Y101-Y105 AromaticContact CE2-CE2 3.8Å; Y101-Y105 HydrophobicContact CE2-CE2 3.8Å; Y101-Y105 HydrophobicContact CE2-CG 4.33Å; Y101-Y105 HydrophobicContact CG-CD2 4.07Å; Y101-Y105 WeakPolarHBondContact O-CD2 3.45Å; Y101-Y105 PolarHBondContact O-N 2.94Å; Y101-D273 PolarHBondContact OH-O 2.85Å |
| 102 | W | 79.4 | Confident | 73.5 | Confident | 39 Ų | 39 | 48.2 Ų | 48.2 | 15% | 0.148 | 25% | 0.245 | C | C | . | . | I | π-helix | trans | -59.2 | -41.5 | 177.8 | 175.6 | 86.3 | 0 | 0 | 0 | 112.2 | P98 C106 C107 L157 L161 A164 | P98-W102 PolarHBondContact O-N 3.48Å; W102-C106 HydrophobicContact CG-CB 4.31Å; W102-C106 WeakPolarHBondContact O-CA 3.45Å; W102-C106 WeakPolarHBondContact O-CB 3.46Å; W102-C106 PolarHBondContact O-N 2.85Å; W102-C106 VanDerWaalsContact O-N 3.08Å; W102-C107 HydrophobicContact CE3-CB 4.4Å; W102-C107 HydrophobicContact CH2-CB 4.19Å; W102-C107 HydrophobicContact CZ2-CB 4.47Å; W102-C107 HydrophobicContact CZ3-CB 4.15Å; W102-C107 PolarHBondContact O-N 2.88Å; W102-L157 HydrophobicContact CH2-CD1 4.04Å; W102-L157 HydrophobicContact CZ2-CD1 3.65Å; W102-L161 HydrophobicContact CD2-CD1 4.14Å; W102-L161 HydrophobicContact CG-CD1 4.21Å; W102-L161 HydrophobicContact CZ2-CD1 4.44Å; W102-A164 HydrophobicContact CB-CB 4.37Å; W102-A164 HydrophobicContact CG-CB 4.39Å |
| 103 | L | 82.4 | Confident | 75.7 | Confident | 73 Ų | 73 | 42.8 Ų | 42.8 | 38% | 0.382 | 22% | 0.22 | S | C | . | . | I | π-helix | trans | -68.9 | -33.2 | -178 | -176 | 61.1 | 0 | 0 | 0 | 113.1 | L78 L99 A100 Y101 C107 | L78-L103 HydrophobicContact CD1-CD1 4.29Å; L78-L103 HydrophobicContact CD2-CD1 3.92Å; L78-L103 HydrophobicContact CD2-CD2 4.42Å; L78-L103 HydrophobicContact CD2-CG 3.74Å; L78-L103 WeakPolarHBondContact CD2-O 3.43Å; L99-L103 WeakPolarHBondContact O-CB 3.15Å; L99-L103 PolarHBondContact O-N 2.85Å; A100-L103 PolarHBondContact O-N 2.67Å; Y101-L103 VanDerWaalsContact C-N 3.31Å; Y101-L103 PolarHBondContact O-N 2.98Å; L103-C107 HydrophobicContact CD1-CB 4.17Å; L103-C107 WeakPolarHBondContact O-CB 3.34Å |
| 104 | L | 79.3 | Confident | 77.8 | Confident | 11 Ų | 11 | 44.6 Ų | 44.6 | 6% | 0.058 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -92.4 | -32.8 | -176.2 | -69.8 | 169.8 | 0 | 0 | 0 | 114.2 | L78 T81 L82 F85 L96 A100 Y101 P108 | L78-L104 HydrophobicContact CD2-CD2 4.27Å; T81-L104 HydrophobicContact CG2-CD2 3.8Å; L82-L104 HydrophobicContact CD1-CB 4.17Å; F85-L104 HydrophobicContact CD2-CD1 4.02Å; F85-L104 HydrophobicContact CE2-CD1 4.07Å; L96-L104 HydrophobicContact CD1-CD1 3.83Å; A100-L104 WeakPolarHBondContact O-CB 3.28Å; A100-L104 WeakPolarHBondContact O-CG 3.31Å; A100-L104 PolarHBondContact O-N 3.41Å; Y101-L104 PolarHBondContact O-N 3.4Å; L104-P108 WeakPolarHBondContact O-CG 3.5Å |
| 105 | Y | 73.7 | Confident | 79.7 | Confident | 3 Ų | 3 | 41 Ų | 41 | 1% | 0.012 | 21% | 0.208 | C | C | . | . | I | π-helix | trans | -99.5 | -47.6 | -179.6 | -65.4 | -76.4 | 0 | 0 | 0 | 113.2 | L82 Y86 Y101 | L82-Y105 HydrophobicContact CD1-CD1 4.13Å; L82-Y105 HydrophobicContact CD1-CE1 3.57Å; L82-Y105 HydrophobicContact CD1-CE2 4.26Å; L82-Y105 HydrophobicContact CD2-CD1 4.43Å; L82-Y105 HydrophobicContact CD2-CE1 4.34Å; Y86-Y105 PolarHBondContact OH-OH 3.34Å; Y86-Y105 VanDerWaalsContact OH-OH 3.13Å; Y101-Y105 AromaticContact CD2-CD2 3.54Å; Y101-Y105 HydrophobicContact CD2-CD2 3.54Å; Y101-Y105 AromaticContact CD2-CE2 3.72Å; Y101-Y105 HydrophobicContact CD2-CE2 3.72Å; Y101-Y105 AromaticContact CE2-CD2 3.56Å; Y101-Y105 HydrophobicContact CE2-CD2 3.56Å; Y101-Y105 AromaticContact CE2-CE2 3.8Å; Y101-Y105 HydrophobicContact CE2-CE2 3.8Å; Y101-Y105 HydrophobicContact CE2-CG 4.33Å; Y101-Y105 HydrophobicContact CG-CD2 4.07Å; Y101-Y105 WeakPolarHBondContact O-CD2 3.45Å; Y101-Y105 PolarHBondContact O-N 2.94Å |
| 106 | C | 77.8 | Confident | 81.5 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -90 | -41.9 | -169 | -173.7 | 0 | 0 | 0 | 0 | 112.9 | W102 V109 C110 R189 | W102-C106 HydrophobicContact CG-CB 4.31Å; W102-C106 WeakPolarHBondContact O-CA 3.45Å; W102-C106 WeakPolarHBondContact O-CB 3.46Å; W102-C106 PolarHBondContact O-N 2.85Å; W102-C106 VanDerWaalsContact O-N 3.08Å; C106-V109 WeakPolarHBondContact O-CB 3.26Å; C106-V109 PolarHBondContact O-N 2.74Å; C106-V109 VanDerWaalsContact O-N 3.15Å; C106-C110 PolarHBondContact O-N 3.08Å; C106-R189 PolarHBondContact SG-NH2 2.98Å |
| 107 | C | 85.6 | Confident | 83.2 | Confident | 12 Ų | 12 | 31 Ų | 31 | 8% | 0.081 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.4 | -37 | -180 | -167.5 | 0 | 0 | 0 | 0 | 114.7 | L78 W102 L103 V109 C110 L111 | L78-C107 HydrophobicContact CD1-CB 4.24Å; W102-C107 HydrophobicContact CE3-CB 4.4Å; W102-C107 HydrophobicContact CH2-CB 4.19Å; W102-C107 HydrophobicContact CZ2-CB 4.47Å; W102-C107 HydrophobicContact CZ3-CB 4.15Å; W102-C107 PolarHBondContact O-N 2.88Å; L103-C107 HydrophobicContact CD1-CB 4.17Å; L103-C107 WeakPolarHBondContact O-CB 3.34Å; C107-V109 PolarHBondContact O-N 2.67Å; C107-C110 WeakPolarHBondContact O-CA 3.19Å; C107-C110 WeakPolarHBondContact O-CB 3.37Å; C107-C110 PolarHBondContact O-N 3.11Å; C107-L111 WeakPolarHBondContact O-CG 3.17Å; C107-L111 PolarHBondContact O-N 3.28Å |
| 108 | P | 87.3 | Confident | 84.4 | Confident | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.4 | -35.7 | 173.6 | -29.2 | 37.1 | 0 | 0 | 0 | 114.2 | W75 L78 L104 L111 Q112 | W75-P108 VanDerWaalsContact CD1-O 3.31Å; L78-P108 HydrophobicContact CB-CG 4.14Å; L78-P108 HydrophobicContact CD1-CG 4.31Å; L104-P108 WeakPolarHBondContact O-CG 3.5Å; P108-L111 PolarHBondContact O-N 2.9Å; P108-Q112 WeakPolarHBondContact O-CG 3.24Å; P108-Q112 PolarHBondContact O-N 2.88Å; P108-Q112 VanDerWaalsContact O-N 3.1Å |
| 109 | V | 86.4 | Confident | 85.6 | Confident | 9 Ų | 9 | 21.9 Ų | 21.9 | 6% | 0.055 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.1 | -41.6 | 176.4 | -169.4 | 0 | 0 | 0 | 0 | 110.9 | C106 C107 L111 Q112 F113 F156 F197 S272 | C106-V109 WeakPolarHBondContact O-CB 3.26Å; C106-V109 PolarHBondContact O-N 2.74Å; C106-V109 VanDerWaalsContact O-N 3.15Å; C107-V109 PolarHBondContact O-N 2.67Å; V109-L111 VanDerWaalsContact C-N 3.32Å; V109-L111 PolarHBondContact O-N 3.38Å; V109-Q112 PolarHBondContact O-N 3.27Å; V109-F113 PolarHBondContact O-N 3.33Å; V109-F156 HydrophobicContact CG1-CE1 4.41Å; V109-F156 HydrophobicContact CG1-CZ 4.08Å; V109-F197 HydrophobicContact CG1-CE2 4.06Å; V109-F197 HydrophobicContact CG1-CZ 4.34Å; V109-S272 WeakPolarHBondContact CG2-OG 3.38Å |
| 110 | C | 90.5 | Very high | 86.7 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 173.2 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | C106 C107 Q112 F113 F114 F156 L157 | C106-C110 PolarHBondContact O-N 3.08Å; C107-C110 WeakPolarHBondContact O-CA 3.19Å; C107-C110 WeakPolarHBondContact O-CB 3.37Å; C107-C110 PolarHBondContact O-N 3.11Å; C110-Q112 PolarHBondContact O-N 2.98Å; C110-F113 PolarHBondContact O-N 2.91Å; C110-F114 HydrophobicContact CB-CE1 4.3Å; C110-F114 HydrophobicContact CB-CZ 4.2Å; C110-F114 WeakPolarHBondContact O-CB 3.28Å; C110-F114 WeakPolarHBondContact O-CD1 3.46Å; C110-F114 WeakPolarHBondContact O-CG 3.23Å; C110-F114 PolarHBondContact O-N 3.07Å; C110-F156 HydrophobicContact CB-CD1 4.37Å; C110-F156 HydrophobicContact CB-CE1 4.34Å; C110-L157 HydrophobicContact CB-CD1 4.09Å |
| 111 | L | 91.6 | Very high | 87.5 | Confident | 6 Ų | 6 | 15.1 Ų | 15.1 | 3% | 0.031 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -67.2 | -34.9 | 178.5 | -62.1 | 173.2 | 0 | 0 | 0 | 112.8 | L71 L74 W75 L78 C107 P108 V109 F114 T115 | L71-L111 HydrophobicContact CD2-CD2 3.77Å; L74-L111 HydrophobicContact CB-CD1 4.2Å; L74-L111 HydrophobicContact CD2-CD1 4Å; L74-L111 HydrophobicContact CD2-CD2 3.92Å; L74-L111 HydrophobicContact CG-CD1 3.78Å; W75-L111 HydrophobicContact CB-CB 4.18Å; W75-L111 HydrophobicContact CB-CD1 3.94Å; L78-L111 HydrophobicContact CD1-CD1 3.73Å; C107-L111 WeakPolarHBondContact O-CG 3.17Å; C107-L111 PolarHBondContact O-N 3.28Å; P108-L111 PolarHBondContact O-N 2.9Å; V109-L111 VanDerWaalsContact C-N 3.32Å; V109-L111 PolarHBondContact O-N 3.38Å; L111-F114 HydrophobicContact CD2-CD2 4.2Å; L111-T115 WeakPolarHBondContact O-CB 3.38Å; L111-T115 PolarHBondContact O-N 3.47Å; L111-T115 PolarHBondContact O-OG1 3.38Å |
| 112 | Q | 91.9 | Very high | 88.2 | Confident | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.009 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -64.6 | -44.9 | 170.8 | -75.4 | 164.5 | -2.5 | 0 | 0 | 111.3 | P108 V109 C110 T115 L116 F197 Y242 E296 | P108-Q112 WeakPolarHBondContact O-CG 3.24Å; P108-Q112 PolarHBondContact O-N 2.88Å; P108-Q112 VanDerWaalsContact O-N 3.1Å; V109-Q112 PolarHBondContact O-N 3.27Å; C110-Q112 PolarHBondContact O-N 2.98Å; Q112-T115 WeakPolarHBondContact O-CB 3.31Å; Q112-T115 PolarHBondContact O-N 3.47Å; Q112-L116 PolarHBondContact O-N 2.89Å; Q112-F197 HydrophobicContact CB-CZ 4.41Å; Q112-Y242 HydrophobicContact CB-CE1 4.16Å; Q112-E296 VanDerWaalsContact NE2-CD 3.28Å; Q112-E296 PolarHBondContact NE2-OE2 2.98Å |
| 113 | F | 92.8 | Very high | 88.6 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 175.3 | -173.4 | -106.1 | 0 | 0 | 0 | 112.4 | V109 C110 T115 L116 C117 L152 F156 L196 F197 C200 | V109-F113 PolarHBondContact O-N 3.33Å; C110-F113 PolarHBondContact O-N 2.91Å; F113-T115 VanDerWaalsContact C-N 3.27Å; F113-T115 PolarHBondContact O-N 2.92Å; F113-L116 PolarHBondContact O-N 3.1Å; F113-L116 VanDerWaalsContact O-N 3.15Å; F113-C117 WeakPolarHBondContact CE1-SG 3.46Å; F113-C117 VanDerWaalsContact CZ-SG 3.54Å; F113-C117 WeakPolarHBondContact O-CB 3.36Å; F113-C117 PolarHBondContact O-N 2.77Å; F113-L152 HydrophobicContact CE1-CG 4.29Å; F113-L152 HydrophobicContact CZ-CD2 4.07Å; F113-L152 HydrophobicContact CZ-CG 4.05Å; F113-F156 HydrophobicContact CB-CD1 4.02Å; F113-F156 HydrophobicContact CB-CD2 4.15Å; F113-F156 HydrophobicContact CB-CE1 3.89Å; F113-F156 HydrophobicContact CB-CE2 4Å; F113-F156 HydrophobicContact CB-CG 4.18Å; F113-F156 HydrophobicContact CB-CZ 3.89Å; F113-F156 HydrophobicContact CD1-CB 3.52Å; F113-F156 AromaticContact CD1-CD1 3.94Å; F113-F156 HydrophobicContact CD1-CD1 3.94Å; F113-F156 AromaticContact CD1-CD2 3.51Å; F113-F156 HydrophobicContact CD1-CD2 3.51Å; F113-F156 HydrophobicContact CD1-CE2 4.2Å; F113-F156 AromaticContact CD1-CG 3.37Å; F113-F156 HydrophobicContact CD1-CG 3.37Å; F113-F156 AromaticContact CD2-CD2 3.77Å; F113-F156 HydrophobicContact CD2-CD2 3.77Å; F113-F156 AromaticContact CD2-CE2 3.8Å; F113-F156 HydrophobicContact CD2-CE2 3.8Å; F113-F156 HydrophobicContact CD2-CG 4.44Å; F113-F156 HydrophobicContact CE1-CB 3.57Å; F113-F156 AromaticContact CE1-CD2 3.76Å; F113-F156 HydrophobicContact CE1-CD2 3.76Å; F113-F156 AromaticContact CE1-CG 3.8Å; F113-F156 HydrophobicContact CE1-CG 3.8Å; F113-F156 HydrophobicContact CE2-CD2 4.02Å; F113-F156 HydrophobicContact CE2-CE2 4.35Å; F113-F156 HydrophobicContact CG-CB 4.37Å; F113-F156 HydrophobicContact CG-CD1 4.1Å; F113-F156 AromaticContact CG-CD2 3.51Å; F113-F156 HydrophobicContact CG-CD2 3.51Å; F113-F156 HydrophobicContact CG-CE1 4.3Å; F113-F156 AromaticContact CG-CE2 3.72Å; F113-F156 HydrophobicContact CG-CE2 3.72Å; F113-F156 AromaticContact CG-CG 3.73Å; F113-F156 HydrophobicContact CG-CG 3.73Å; F113-F156 HydrophobicContact CG-CZ 4.13Å; F113-F156 HydrophobicContact CZ-CB 4.47Å; F113-F156 HydrophobicContact CZ-CD2 4.01Å; F113-L196 HydrophobicContact CE2-CB 3.81Å; F113-L196 HydrophobicContact CZ-CB 3.97Å; F113-F197 HydrophobicContact CB-CE1 4.16Å; F113-F197 HydrophobicContact CB-CE2 4.27Å; F113-F197 HydrophobicContact CB-CZ 3.73Å; F113-F197 HydrophobicContact CD2-CD1 4.14Å; F113-F197 HydrophobicContact CD2-CD2 4.32Å; F113-F197 HydrophobicContact CD2-CE1 4.06Å; F113-F197 HydrophobicContact CD2-CE2 4.25Å; F113-F197 HydrophobicContact CD2-CG 4.26Å; F113-F197 HydrophobicContact CD2-CZ 4.11Å; F113-F197 HydrophobicContact CG-CZ 4.43Å; F113-C200 HydrophobicContact CE2-CB 4.24Å |
| 114 | F | 94.4 | Very high | 89 | Confident | 42 Ų | 42 | 9 Ų | 9 | 18% | 0.184 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 175.6 | -64.2 | -1.7 | 0 | 0 | 0 | 111.2 | L71 C110 L111 C117 L118 S153 L157 | L71-F114 HydrophobicContact CD1-CB 3.77Å; L71-F114 HydrophobicContact CD2-CB 4.46Å; L71-F114 HydrophobicContact CD2-CD2 4.2Å; C110-F114 HydrophobicContact CB-CE1 4.3Å; C110-F114 HydrophobicContact CB-CZ 4.2Å; C110-F114 WeakPolarHBondContact O-CB 3.28Å; C110-F114 WeakPolarHBondContact O-CD1 3.46Å; C110-F114 WeakPolarHBondContact O-CG 3.23Å; C110-F114 PolarHBondContact O-N 3.07Å; L111-F114 HydrophobicContact CD2-CD2 4.2Å; F114-C117 PolarHBondContact O-N 2.9Å; F114-L118 WeakPolarHBondContact O-CB 3.38Å; F114-L118 WeakPolarHBondContact O-CG 3.47Å; F114-L118 PolarHBondContact O-N 3.21Å; F114-S153 VanDerWaalsContact CE1-O 3.31Å; F114-S153 WeakPolarHBondContact CE1-O 3.22Å; F114-L157 HydrophobicContact CE1-CB 4.38Å; F114-L157 HydrophobicContact CZ-CB 4.05Å; F114-L157 HydrophobicContact CZ-CD1 4.01Å; F114-L157 HydrophobicContact CZ-CD2 4.27Å; F114-L157 HydrophobicContact CZ-CG 4.34Å |
| 115 | T | 93 | Very high | 89.4 | Confident | 8 Ų | 8 | 9.5 Ų | 9.5 | 5% | 0.049 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63 | -43.1 | 174.9 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | F68 L111 Q112 F113 L118 L119 V303 | F68-T115 HydrophobicContact CD1-CG2 4.25Å; F68-T115 HydrophobicContact CE1-CG2 4.49Å; L111-T115 WeakPolarHBondContact O-CB 3.38Å; L111-T115 PolarHBondContact O-N 3.47Å; L111-T115 PolarHBondContact O-OG1 3.38Å; Q112-T115 WeakPolarHBondContact O-CB 3.31Å; Q112-T115 PolarHBondContact O-N 3.47Å; F113-T115 VanDerWaalsContact C-N 3.27Å; F113-T115 PolarHBondContact O-N 2.92Å; T115-L118 PolarHBondContact O-N 3.45Å; T115-L119 WeakPolarHBondContact O-CB 3.42Å; T115-L119 PolarHBondContact O-N 2.91Å; T115-V303 HydrophobicContact CG2-CG1 3.94Å; T115-V303 HydrophobicContact CG2-CG2 4.45Å |
| 116 | L | 92.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 9.6 Ų | 9.6 | 1% | 0.005 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.6 | -39 | 175.9 | -175.4 | 60.9 | 0 | 0 | 0 | 112.8 | Q112 F113 L119 N120 F197 C200 L204 Y242 | Q112-L116 PolarHBondContact O-N 2.89Å; F113-L116 PolarHBondContact O-N 3.1Å; F113-L116 VanDerWaalsContact O-N 3.15Å; L116-L119 PolarHBondContact O-N 3.35Å; L116-N120 PolarHBondContact O-N 2.87Å; L116-N120 PolarHBondContact O-ND2 2.94Å; L116-F197 HydrophobicContact CD2-CD1 3.66Å; L116-F197 HydrophobicContact CD2-CE1 4.21Å; L116-C200 HydrophobicContact CD2-CB 3.89Å; L116-C200 HydrophobicContact CG-CB 4.18Å; L116-L204 HydrophobicContact CD1-CD2 3.65Å; L116-Y242 HydrophobicContact CB-CE2 4.32Å; L116-Y242 HydrophobicContact CD1-CD2 3.95Å; L116-Y242 HydrophobicContact CD1-CE2 4.19Å; L116-Y242 HydrophobicContact CD2-CD2 4.1Å; L116-Y242 HydrophobicContact CD2-CG 4.32Å; L116-Y242 HydrophobicContact CG-CD2 4.46Å |
| 117 | C | 94.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 10.7 Ų | 10.7 | 1% | 0.014 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -64.5 | -42.4 | 173.3 | -77.5 | 0 | 0 | 0 | 0 | 112.2 | F113 F114 L119 L121 F149 | F113-C117 WeakPolarHBondContact CE1-SG 3.46Å; F113-C117 VanDerWaalsContact CZ-SG 3.54Å; F113-C117 WeakPolarHBondContact O-CB 3.36Å; F113-C117 PolarHBondContact O-N 2.77Å; F114-C117 PolarHBondContact O-N 2.9Å; C117-L119 VanDerWaalsContact C-N 3.34Å; C117-L121 VanDerWaalsContact O-CB 3.28Å; C117-L121 WeakPolarHBondContact O-CB 3.35Å; C117-L121 PolarHBondContact O-N 2.97Å; C117-F149 HydrophobicContact CB-CB 4.49Å; C117-F149 HydrophobicContact CB-CD1 3.95Å |
| 118 | L | 92.4 | Very high | 90.1 | Very high | 30 Ų | 30 | 11.8 Ų | 11.8 | 16% | 0.157 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -66.5 | -34.6 | 173.1 | -72.8 | -175.1 | 0 | 0 | 0 | 112.3 | Y64 V67 F68 L71 F114 T115 L121 Y122 | Y64-L118 HydrophobicContact CE1-CD2 4.46Å; V67-L118 HydrophobicContact CB-CD1 4.25Å; V67-L118 HydrophobicContact CG1-CD1 3.55Å; F68-L118 HydrophobicContact CD1-CB 4.08Å; F68-L118 HydrophobicContact CD1-CD1 4.43Å; F68-L118 HydrophobicContact CE1-CB 3.39Å; F68-L118 VanDerWaalsContact CZ-C 3.4Å; F68-L118 HydrophobicContact CZ-CB 3.66Å; F68-L118 WeakPolarHBondContact CZ-O 3.5Å; L71-L118 HydrophobicContact CD1-CD1 3.58Å; L71-L118 HydrophobicContact CD1-CG 4.47Å; F114-L118 WeakPolarHBondContact O-CB 3.38Å; F114-L118 WeakPolarHBondContact O-CG 3.47Å; F114-L118 PolarHBondContact O-N 3.21Å; T115-L118 PolarHBondContact O-N 3.45Å; L118-L121 HydrophobicContact CD2-CD2 4.13Å; L118-L121 PolarHBondContact O-N 3.39Å; L118-Y122 VanDerWaalsContact O-CB 3.3Å; L118-Y122 WeakPolarHBondContact O-CB 3.3Å; L118-Y122 PolarHBondContact O-N 2.95Å |
| 119 | L | 91.6 | Very high | 89.9 | Confident | 6 Ų | 6 | 16.9 Ų | 16.9 | 3% | 0.031 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -65 | -46.1 | 177.7 | -166.4 | 59.4 | 0 | 0 | 0 | 111.1 | F68 T115 L116 C117 L121 Y122 F123 L204 V238 V303 F307 | F68-L119 HydrophobicContact CE1-CB 4.27Å; F68-L119 HydrophobicContact CZ-CB 4.39Å; F68-L119 HydrophobicContact CZ-CD1 4.33Å; T115-L119 WeakPolarHBondContact O-CB 3.42Å; T115-L119 PolarHBondContact O-N 2.91Å; L116-L119 PolarHBondContact O-N 3.35Å; C117-L119 VanDerWaalsContact C-N 3.34Å; L119-L121 PolarHBondContact O-N 3.47Å; L119-Y122 PolarHBondContact O-N 3.29Å; L119-F123 HydrophobicContact CD1-CD2 3.99Å; L119-F123 HydrophobicContact CD1-CE2 3.54Å; L119-F123 HydrophobicContact CG-CD2 4.05Å; L119-F123 HydrophobicContact CG-CE2 3.88Å; L119-F123 VanDerWaalsContact O-CD2 3.3Å; L119-F123 WeakPolarHBondContact O-CD2 3.48Å; L119-F123 PolarHBondContact O-N 2.83Å; L119-L204 HydrophobicContact CD2-CD2 3.7Å; L119-L204 HydrophobicContact CG-CD1 4.14Å; L119-L204 HydrophobicContact CG-CD2 4.08Å; L119-V238 HydrophobicContact CD2-CG1 3.93Å; L119-V303 HydrophobicContact CD2-CG2 4.49Å; L119-F307 HydrophobicContact CD1-CE2 3.87Å; L119-F307 HydrophobicContact CD1-CZ 4Å |
| 120 | N | 93.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -54.7 | -50.7 | 168.3 | -89.7 | -83.1 | 0 | 0 | 0 | 112.2 | L116 Y122 F123 T124 F149 C200 S203 L204 | L116-N120 PolarHBondContact O-N 2.87Å; L116-N120 PolarHBondContact O-ND2 2.94Å; N120-Y122 VanDerWaalsContact C-N 3.31Å; N120-Y122 PolarHBondContact O-N 3.45Å; N120-F123 PolarHBondContact O-N 3.08Å; N120-T124 VanDerWaalsContact O-CB 3.29Å; N120-T124 WeakPolarHBondContact O-CB 3.18Å; N120-T124 PolarHBondContact O-N 3.38Å; N120-T124 PolarHBondContact O-OG1 3.39Å; N120-F149 HydrophobicContact CB-CD1 4.45Å; N120-F149 HydrophobicContact CB-CE1 3.63Å; N120-F149 HydrophobicContact CB-CE2 4.22Å; N120-F149 HydrophobicContact CB-CZ 3.5Å; N120-C200 PolarHBondContact ND2-O 3.46Å; N120-C200 PolarHBondContact ND2-SG 3.15Å; N120-C200 PolarHBondContact OD1-O 2.8Å; N120-S203 VanDerWaalsContact OD1-C 3.31Å; N120-S203 WeakPolarHBondContact OD1-CB 3.27Å; N120-S203 PolarHBondContact OD1-OG 2.89Å; N120-L204 VanDerWaalsContact OD1-CA 3.31Å; N120-L204 WeakPolarHBondContact OD1-CA 3.44Å; N120-L204 PolarHBondContact OD1-N 2.9Å |
| 121 | L | 91.9 | Very high | 89 | Confident | 9 Ų | 9 | 21.5 Ų | 21.5 | 5% | 0.047 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.9 | -33.5 | -177.1 | -179.8 | 59.7 | 0 | 0 | 0 | 112.6 | Y64 C117 L118 L119 Q125 L145 R146 F149 | Y64-L121 HydrophobicContact CE1-CD2 3.96Å; Y64-L121 HydrophobicContact CE1-CG 4.06Å; C117-L121 VanDerWaalsContact O-CB 3.28Å; C117-L121 WeakPolarHBondContact O-CB 3.35Å; C117-L121 PolarHBondContact O-N 2.97Å; L118-L121 HydrophobicContact CD2-CD2 4.13Å; L118-L121 PolarHBondContact O-N 3.39Å; L119-L121 PolarHBondContact O-N 3.47Å; L121-Q125 WeakPolarHBondContact O-CB 3.36Å; L121-Q125 WeakPolarHBondContact O-CG 3.25Å; L121-Q125 PolarHBondContact O-N 3.03Å; L121-Q125 VanDerWaalsContact O-N 3.17Å; L121-Q125 PolarHBondContact O-NE2 3.23Å; L121-L145 HydrophobicContact CD1-CD2 3.86Å; L121-L145 HydrophobicContact CD1-CG 3.92Å; L121-R146 HydrophobicContact CD1-CG 3.84Å; L121-R146 HydrophobicContact CD2-CG 4.15Å; L121-F149 HydrophobicContact CB-CD2 4.03Å; L121-F149 HydrophobicContact CB-CG 4.42Å; L121-F149 HydrophobicContact CD1-CD2 4.07Å |
| 122 | Y | 89.5 | Confident | 88 | Confident | 35 Ų | 35 | 22.3 Ų | 22.3 | 14% | 0.137 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.4 | -57.5 | 173.2 | 169.8 | -94.4 | 0 | 0 | 0 | 110.9 | Y64 F68 L118 L119 N120 T124 Q125 V126 F306 F307 | Y64-Y122 HydrophobicContact CG-CD2 4.38Å; F68-Y122 HydrophobicContact CE2-CG 4.41Å; L118-Y122 VanDerWaalsContact O-CB 3.3Å; L118-Y122 WeakPolarHBondContact O-CB 3.3Å; L118-Y122 PolarHBondContact O-N 2.95Å; L119-Y122 PolarHBondContact O-N 3.29Å; N120-Y122 VanDerWaalsContact C-N 3.31Å; N120-Y122 PolarHBondContact O-N 3.45Å; Y122-T124 PolarHBondContact O-N 2.93Å; Y122-Q125 PolarHBondContact O-N 2.93Å; Y122-Q125 VanDerWaalsContact O-N 3.08Å; Y122-V126 HydrophobicContact CE1-CG2 4.13Å; Y122-V126 HydrophobicContact CE2-CG2 4.48Å; Y122-V126 PolarHBondContact O-N 2.83Å; Y122-F306 HydrophobicContact CE1-CE1 4.19Å; Y122-F307 HydrophobicContact CD1-CE1 4.28Å; Y122-F307 HydrophobicContact CD1-CZ 4.02Å; Y122-F307 HydrophobicContact CD2-CE1 4.08Å; Y122-F307 HydrophobicContact CD2-CZ 4.37Å; Y122-F307 HydrophobicContact CE1-CE1 4.11Å; Y122-F307 HydrophobicContact CE1-CZ 4.21Å; Y122-F307 AromaticContact CE2-CE1 3.88Å; Y122-F307 HydrophobicContact CE2-CE1 3.88Å; Y122-F307 HydrophobicContact CG-CE1 4.28Å; Y122-F307 HydrophobicContact CG-CZ 4.12Å; Y122-F307 AromaticContact CZ-CE1 3.9Å |
| 123 | F | 88.8 | Confident | 86.9 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.018 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.6 | -41.6 | -178.4 | -77.9 | -63.2 | 0 | 0 | 0 | 111.9 | L119 N120 Q125 V126 M127 L204 C207 I208 I211 A231 F306 | L119-F123 HydrophobicContact CD1-CD2 3.99Å; L119-F123 HydrophobicContact CD1-CE2 3.54Å; L119-F123 HydrophobicContact CG-CD2 4.05Å; L119-F123 HydrophobicContact CG-CE2 3.88Å; L119-F123 VanDerWaalsContact O-CD2 3.3Å; L119-F123 WeakPolarHBondContact O-CD2 3.48Å; L119-F123 PolarHBondContact O-N 2.83Å; N120-F123 PolarHBondContact O-N 3.08Å; F123-Q125 PolarHBondContact O-N 3.33Å; F123-V126 WeakPolarHBondContact O-CB 3.27Å; F123-V126 PolarHBondContact O-N 3.35Å; F123-M127 PolarHBondContact O-N 3.44Å; F123-L204 HydrophobicContact CD2-CD1 3.55Å; F123-L204 HydrophobicContact CE2-CD1 4.16Å; F123-L204 HydrophobicContact CG-CD1 4.43Å; F123-C207 HydrophobicContact CB-CB 4.38Å; F123-I208 HydrophobicContact CD2-CG1 4.32Å; F123-I208 HydrophobicContact CE2-CD1 4.37Å; F123-I208 HydrophobicContact CE2-CG1 4.37Å; F123-I208 HydrophobicContact CG-CG1 4.46Å; F123-I211 HydrophobicContact CB-CD1 3.72Å; F123-I211 HydrophobicContact CD1-CD1 3.7Å; F123-I211 HydrophobicContact CG-CD1 4.14Å; F123-I211 WeakPolarHBondContact O-CD1 3.3Å; F123-A231 HydrophobicContact CE1-CB 4.3Å; F123-A231 HydrophobicContact CZ-CB 4.46Å; F123-F306 HydrophobicContact CZ-CE1 4.27Å; F123-F306 HydrophobicContact CZ-CZ 4.16Å |
| 124 | T | 89.6 | Confident | 85.5 | Confident | 9 Ų | 9 | 38.8 Ų | 38.8 | 6% | 0.055 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.4 | -37.1 | 174.2 | -51.4 | 0 | 0 | 0 | 0 | 111.7 | N120 Y122 M127 F128 L145 C207 | N120-T124 VanDerWaalsContact O-CB 3.29Å; N120-T124 WeakPolarHBondContact O-CB 3.18Å; N120-T124 PolarHBondContact O-N 3.38Å; N120-T124 PolarHBondContact O-OG1 3.39Å; Y122-T124 PolarHBondContact O-N 2.93Å; T124-M127 HydrophobicContact CG2-CE 4.12Å; T124-M127 PolarHBondContact O-N 3.14Å; T124-F128 HydrophobicContact CG2-CD1 4.17Å; T124-F128 HydrophobicContact CG2-CD2 4.44Å; T124-F128 HydrophobicContact CG2-CE1 3.85Å; T124-F128 HydrophobicContact CG2-CE2 4.14Å; T124-F128 HydrophobicContact CG2-CG 4.46Å; T124-F128 HydrophobicContact CG2-CZ 3.83Å; T124-F128 WeakPolarHBondContact O-CB 3.34Å; T124-F128 WeakPolarHBondContact O-CD1 3.48Å; T124-F128 WeakPolarHBondContact O-CG 3.22Å; T124-F128 PolarHBondContact O-N 3.08Å; T124-L145 HydrophobicContact CG2-CD1 4.17Å; T124-L145 HydrophobicContact CG2-CD2 3.41Å; T124-L145 VanDerWaalsContact CG2-CD2 3.41Å; T124-L145 HydrophobicContact CG2-CG 4.43Å; T124-C207 PolarHBondContact OG1-SG 3.2Å; T124-C207 VanDerWaalsContact OG1-SG 3.36Å |
| 125 | Q | 87.8 | Confident | 84.1 | Confident | 21 Ų | 21 | 39.5 Ų | 39.5 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.7 | -29.5 | 174.2 | -81.1 | 178.1 | 69.5 | 0 | 0 | 113.9 | Y64 L121 Y122 F123 K129 | Y64-Q125 VanDerWaalsContact CZ-NE2 3.33Å; Y64-Q125 PolarHBondContact OH-NE2 3.4Å; L121-Q125 WeakPolarHBondContact O-CB 3.36Å; L121-Q125 WeakPolarHBondContact O-CG 3.25Å; L121-Q125 PolarHBondContact O-N 3.03Å; L121-Q125 VanDerWaalsContact O-N 3.17Å; L121-Q125 PolarHBondContact O-NE2 3.23Å; Y122-Q125 PolarHBondContact O-N 2.93Å; Y122-Q125 VanDerWaalsContact O-N 3.08Å; F123-Q125 PolarHBondContact O-N 3.33Å; Q125-K129 WeakPolarHBondContact O-CB 3.17Å; Q125-K129 WeakPolarHBondContact O-CG 3.38Å; Q125-K129 PolarHBondContact O-N 3.33Å |
| 126 | V | 85.2 | Confident | 82.9 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.024 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.8 | -50.4 | 168.3 | 173.7 | 0 | 0 | 0 | 0 | 109.9 | Y122 F123 F128 K129 A130 I211 A217 Y220 L221 | Y122-V126 HydrophobicContact CE1-CG2 4.13Å; Y122-V126 HydrophobicContact CE2-CG2 4.48Å; Y122-V126 PolarHBondContact O-N 2.83Å; F123-V126 WeakPolarHBondContact O-CB 3.27Å; F123-V126 PolarHBondContact O-N 3.35Å; V126-F128 PolarHBondContact O-N 3.28Å; V126-K129 PolarHBondContact O-N 2.95Å; V126-A130 WeakPolarHBondContact O-CB 3.43Å; V126-A130 PolarHBondContact O-N 2.88Å; V126-I211 HydrophobicContact CB-CD1 4.43Å; V126-I211 HydrophobicContact CG1-CD1 4.5Å; V126-A217 HydrophobicContact CG1-CB 4.43Å; V126-Y220 HydrophobicContact CG1-CD1 3.78Å; V126-Y220 HydrophobicContact CG1-CE1 4.28Å; V126-Y220 HydrophobicContact CG2-CD1 4.24Å; V126-Y220 HydrophobicContact CG2-CE1 3.91Å; V126-L221 HydrophobicContact CG1-CD2 4.19Å; V126-L221 HydrophobicContact CG1-CG 4.2Å; V126-L221 HydrophobicContact CG2-CD2 4.36Å |
| 127 | M | 84.3 | Confident | 81.9 | Confident | 25 Ų | 25 | 48.3 Ų | 48.3 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.5 | -45.3 | 175.6 | -179.6 | 178.5 | 55.3 | 0 | 0 | 112.1 | F123 T124 K129 A130 K131 K210 I211 M214 | F123-M127 PolarHBondContact O-N 3.44Å; T124-M127 HydrophobicContact CG2-CE 4.12Å; T124-M127 PolarHBondContact O-N 3.14Å; M127-K129 PolarHBondContact O-N 2.7Å; M127-A130 PolarHBondContact O-N 2.74Å; M127-K131 PolarHBondContact O-N 3.22Å; M127-K210 HydrophobicContact SD-CB 3.75Å; M127-K210 HydrophobicContact SD-CG 4.4Å; M127-I211 HydrophobicContact CB-CD1 4.39Å; M127-I211 HydrophobicContact CB-CG1 4Å; M127-M214 HydrophobicContact CG-CE 4.35Å; M127-M214 HydrophobicContact CG-SD 4.12Å; M127-M214 HydrophobicContact SD-CE 4.28Å |
| 128 | F | 83.8 | Confident | 80.8 | Confident | 35 Ų | 35 | 50.1 Ų | 50.1 | 15% | 0.154 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.5 | -33.3 | 178.7 | -75.9 | 6.5 | 0 | 0 | 0 | 112.5 | T124 V126 A132 L138 K142 L145 | T124-F128 HydrophobicContact CG2-CD1 4.17Å; T124-F128 HydrophobicContact CG2-CD2 4.44Å; T124-F128 HydrophobicContact CG2-CE1 3.85Å; T124-F128 HydrophobicContact CG2-CE2 4.14Å; T124-F128 HydrophobicContact CG2-CG 4.46Å; T124-F128 HydrophobicContact CG2-CZ 3.83Å; T124-F128 WeakPolarHBondContact O-CB 3.34Å; T124-F128 WeakPolarHBondContact O-CD1 3.48Å; T124-F128 WeakPolarHBondContact O-CG 3.22Å; T124-F128 PolarHBondContact O-N 3.08Å; V126-F128 PolarHBondContact O-N 3.28Å; F128-A132 WeakPolarHBondContact O-CB 3.24Å; F128-A132 PolarHBondContact O-N 3.39Å; F128-L138 HydrophobicContact CD1-CD2 3.93Å; F128-L138 HydrophobicContact CE1-CD2 4.36Å; F128-L138 HydrophobicContact CG-CD2 4.33Å; F128-K142 HydrophobicContact CD2-CG 4.47Å; F128-L145 HydrophobicContact CD2-CD2 4.3Å; F128-L145 HydrophobicContact CE2-CD2 3.89Å |
| 129 | K | 82.7 | Confident | 79.8 | Confident | 107 Ų | 107 | 52.1 Ų | 52.1 | 47% | 0.465 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 170.2 | -79.1 | -175.9 | -179.3 | -167.9 | 0 | 111.6 | Q125 V126 M127 K131 A132 Y220 | Q125-K129 WeakPolarHBondContact O-CB 3.17Å; Q125-K129 WeakPolarHBondContact O-CG 3.38Å; Q125-K129 PolarHBondContact O-N 3.33Å; V126-K129 PolarHBondContact O-N 2.95Å; M127-K129 PolarHBondContact O-N 2.7Å; K129-K131 VanDerWaalsContact C-N 3.27Å; K129-K131 PolarHBondContact O-N 3.38Å; K129-A132 PolarHBondContact O-N 3.4Å; K129-Y220 HydrophobicContact CD-CE2 3.76Å; K129-Y220 PolarHBondContact NZ-OH 2.94Å |
| 130 | A | 79.9 | Confident | 79.2 | Confident | 8 Ų | 8 | 58.2 Ų | 58.2 | 7% | 0.066 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.1 | -32.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | V126 M127 S216 A217 | V126-A130 WeakPolarHBondContact O-CB 3.43Å; V126-A130 PolarHBondContact O-N 2.88Å; M127-A130 PolarHBondContact O-N 2.74Å; A130-S216 PolarHBondContact O-OG 2.93Å; A130-A217 HydrophobicContact CB-CB 3.65Å |
| 131 | K | 77.1 | Confident | 78.6 | Confident | 97 Ų | 97 | 65 Ų | 65 | 42% | 0.422 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -84.1 | -30.1 | 173.2 | -76.1 | -163.6 | 168.2 | -162.9 | 0 | 114.9 | M127 K129 K133 Y134 S135 L138 M214 | M127-K131 PolarHBondContact O-N 3.22Å; K129-K131 VanDerWaalsContact C-N 3.27Å; K129-K131 PolarHBondContact O-N 3.38Å; K131-K133 PolarHBondContact O-N 3.47Å; K131-Y134 PolarHBondContact O-N 2.86Å; K131-S135 PolarHBondContact O-N 3.21Å; K131-L138 HydrophobicContact CB-CD2 3.64Å; K131-L138 HydrophobicContact CD-CD2 3.94Å; K131-L138 HydrophobicContact CG-CD2 4.43Å; K131-M214 HydrophobicContact CG-SD 4.31Å |
| 132 | A | 72.1 | Confident | 78.3 | Confident | 24 Ų | 24 | 67 Ų | 67 | 20% | 0.198 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60 | -22.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | F128 K129 Y134 S135 | F128-A132 WeakPolarHBondContact O-CB 3.24Å; F128-A132 PolarHBondContact O-N 3.39Å; K129-A132 PolarHBondContact O-N 3.4Å; A132-Y134 PolarHBondContact O-N 2.91Å; A132-S135 PolarHBondContact O-N 3.3Å |
| 133 | K | 66.8 | Low | 78.2 | Confident | 180 Ų | 180 | 69.8 Ų | 69.8 | 78% | 0.783 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.9 | 171.3 | -165.9 | 176.1 | -178.3 | -177.3 | 0 | 113.6 | K131 | K131-K133 PolarHBondContact O-N 3.47Š|
| 134 | Y | 63.5 | Low | 78.2 | Confident | 168 Ų | 168 | 72.8 Ų | 72.8 | 66% | 0.659 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.3 | -9.4 | -179.6 | -56.4 | -82.9 | 0 | 0 | 0 | 113.4 | K131 A132 | K131-Y134 PolarHBondContact O-N 2.86Å; A132-Y134 PolarHBondContact O-N 2.91Å |
| 135 | S | 65.1 | Low | 78.3 | Confident | 56 Ų | 56 | 73.8 Ų | 73.8 | 39% | 0.392 | 36% | 0.364 | S | S | . | . | trans | -155.7 | 95 | -176.1 | -55.8 | 0 | 0 | 0 | 0 | 110.3 | K131 A132 E137 L138 | K131-S135 PolarHBondContact O-N 3.21Å; A132-S135 PolarHBondContact O-N 3.3Å; S135-E137 PolarHBondContact O-N 2.91Å; S135-L138 PolarHBondContact O-N 3.34Å | ||
| 136 | P | 68.4 | Low | 78.4 | Confident | 99 Ų | 99 | 78.2 Ų | 78.2 | 64% | 0.643 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -63.2 | -29.4 | -175.6 | 24.5 | -33.6 | 0 | 0 | 0 | 112.7 | L138 T139 | P136-L138 PolarHBondContact O-N 2.86Å; P136-L138 VanDerWaalsContact O-N 3.14Å; P136-T139 WeakPolarHBondContact O-CB 3.2Å; P136-T139 PolarHBondContact O-N 2.8Å; P136-T139 PolarHBondContact O-OG1 3.45Å |
| 137 | E | 72.3 | Confident | 78.8 | Confident | 96 Ų | 96 | 82.6 Ų | 82.6 | 45% | 0.449 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -50.8 | -33.5 | 176.2 | -68.7 | -59 | 119.1 | 0 | 0 | 114.1 | S135 T139 K140 Y141 | S135-E137 PolarHBondContact O-N 2.91Å; E137-T139 PolarHBondContact O-N 3.36Å; E137-K140 WeakPolarHBondContact O-CB 3.45Å; E137-K140 PolarHBondContact O-N 3.01Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 2.79Å; E137-K140 PolarHBondContact OE1-NZ 2.91Å; E137-K140 WeakPolarHBondContact OE2-CD 3.28Å; E137-K140 VanDerWaalsContact OE2-CE 3.29Å; E137-K140 WeakPolarHBondContact OE2-CE 3.47Å; E137-K140 IonicContact OE2-NZ 2.68Å; E137-K140 PolarHBondContact OE2-NZ 3.2Å; E137-Y141 WeakPolarHBondContact O-CD2 3.3Å |
| 138 | L | 70.1 | Confident | 79.3 | Confident | 40 Ų | 40 | 87 Ų | 87 | 21% | 0.209 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -61.3 | -10.8 | 175 | -107 | 67.8 | 0 | 0 | 0 | 113.7 | F128 K131 S135 P136 | F128-L138 HydrophobicContact CD1-CD2 3.93Å; F128-L138 HydrophobicContact CE1-CD2 4.36Å; F128-L138 HydrophobicContact CG-CD2 4.33Å; K131-L138 HydrophobicContact CB-CD2 3.64Å; K131-L138 HydrophobicContact CD-CD2 3.94Å; K131-L138 HydrophobicContact CG-CD2 4.43Å; S135-L138 PolarHBondContact O-N 3.34Å; P136-L138 PolarHBondContact O-N 2.86Å; P136-L138 VanDerWaalsContact O-N 3.14Å |
| 139 | T | 71.9 | Confident | 79.7 | Confident | 71 Ų | 71 | 86 Ų | 86 | 44% | 0.436 | 42% | 0.417 | S | S | . | . | G | 310 helix | trans | -72.7 | -34.7 | 171.1 | -62.1 | 0 | 0 | 0 | 0 | 112.9 | P136 E137 Y141 K142 | P136-T139 WeakPolarHBondContact O-CB 3.2Å; P136-T139 PolarHBondContact O-N 2.8Å; P136-T139 PolarHBondContact O-OG1 3.45Å; E137-T139 PolarHBondContact O-N 3.36Å; T139-Y141 VanDerWaalsContact C-N 3.29Å; T139-Y141 PolarHBondContact O-N 3.36Å; T139-K142 HydrophobicContact CG2-CD 4.14Å; T139-K142 WeakPolarHBondContact O-CB 3.37Å; T139-K142 WeakPolarHBondContact O-CG 3.34Å; T139-K142 PolarHBondContact O-N 2.95Å; T139-K142 PolarHBondContact OG1-NZ 3.32Å |
| 140 | K | 79.1 | Confident | 80.3 | Confident | 135 Ų | 135 | 85.4 Ų | 85.4 | 59% | 0.587 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -39.9 | 179.1 | -61.8 | 177.3 | -173.8 | 165.5 | 0 | 111 | E137 K142 P144 | E137-K140 WeakPolarHBondContact O-CB 3.45Å; E137-K140 PolarHBondContact O-N 3.01Å; E137-K140 WeakPolarHBondContact OE1-CE 3.44Å; E137-K140 IonicContact OE1-NZ 2.79Å; E137-K140 PolarHBondContact OE1-NZ 2.91Å; E137-K140 WeakPolarHBondContact OE2-CD 3.28Å; E137-K140 VanDerWaalsContact OE2-CE 3.29Å; E137-K140 WeakPolarHBondContact OE2-CE 3.47Å; E137-K140 IonicContact OE2-NZ 2.68Å; E137-K140 PolarHBondContact OE2-NZ 3.2Å; K140-K142 PolarHBondContact O-N 3.12Å; K140-P144 WeakPolarHBondContact O-CD 3.42Å |
| 141 | Y | 81.4 | Confident | 81 | Confident | 141 Ų | 141 | 88.8 Ų | 88.8 | 55% | 0.553 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | -7.5 | 179.9 | -62.6 | -84.6 | 0 | 0 | 0 | 115.4 | E137 T139 V143 P144 L145 | E137-Y141 WeakPolarHBondContact O-CD2 3.3Å; T139-Y141 VanDerWaalsContact C-N 3.29Å; T139-Y141 PolarHBondContact O-N 3.36Å; Y141-V143 VanDerWaalsContact C-N 3.34Å; Y141-V143 PolarHBondContact O-N 3.4Å; Y141-P144 WeakPolarHBondContact O-CD 3.27Å; Y141-L145 VanDerWaalsContact O-CB 3.29Å; Y141-L145 WeakPolarHBondContact O-CB 3.21Å; Y141-L145 PolarHBondContact O-N 3.04Å |
| 142 | K | 84.6 | Confident | 81.8 | Confident | 52 Ų | 52 | 85.9 Ų | 85.9 | 23% | 0.226 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -67.1 | -31.7 | -179.7 | -68.6 | 168.5 | -175.9 | 155.9 | 0 | 113.2 | F128 T139 K140 R146 | F128-K142 HydrophobicContact CD2-CG 4.47Å; T139-K142 HydrophobicContact CG2-CD 4.14Å; T139-K142 WeakPolarHBondContact O-CB 3.37Å; T139-K142 WeakPolarHBondContact O-CG 3.34Å; T139-K142 PolarHBondContact O-N 2.95Å; T139-K142 PolarHBondContact OG1-NZ 3.32Å; K140-K142 PolarHBondContact O-N 3.12Å; K142-R146 WeakPolarHBondContact O-CD 3.26Å; K142-R146 VanDerWaalsContact O-CG 3.27Å; K142-R146 WeakPolarHBondContact O-CG 3.49Å |
| 143 | V | 87.5 | Confident | 82.9 | Confident | 93 Ų | 93 | 85.5 Ų | 85.5 | 56% | 0.564 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -77.1 | -54.5 | 177.9 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | Y141 L145 R146 L147 | Y141-V143 VanDerWaalsContact C-N 3.34Å; Y141-V143 PolarHBondContact O-N 3.4Å; V143-L145 PolarHBondContact O-N 3.35Å; V143-R146 WeakPolarHBondContact O-CB 3.41Å; V143-R146 PolarHBondContact O-N 3.43Å; V143-L147 HydrophobicContact CG1-CD1 4.18Å; V143-L147 HydrophobicContact CG1-CG 4.49Å; V143-L147 PolarHBondContact O-N 2.66Å |
| 144 | P | 90.3 | Very high | 84.2 | Confident | 67 Ų | 67 | 81 Ų | 81 | 44% | 0.435 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.5 | -31 | 179 | 23.4 | -34.1 | 0 | 0 | 0 | 112.9 | K140 Y141 R146 L147 F148 | K140-P144 WeakPolarHBondContact O-CD 3.42Å; Y141-P144 WeakPolarHBondContact O-CD 3.27Å; P144-R146 PolarHBondContact O-N 2.92Å; P144-L147 PolarHBondContact O-N 3.05Å; P144-F148 WeakPolarHBondContact O-CB 3.44Å; P144-F148 PolarHBondContact O-N 2.85Å |
| 145 | L | 90.6 | Very high | 85.7 | Confident | 31 Ų | 31 | 78.1 Ų | 78.1 | 16% | 0.162 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -62.1 | -40.7 | 171.9 | -174 | 75.6 | 0 | 0 | 0 | 112.7 | L121 T124 F128 Y141 V143 F148 F149 | L121-L145 HydrophobicContact CD1-CD2 3.86Å; L121-L145 HydrophobicContact CD1-CG 3.92Å; T124-L145 HydrophobicContact CG2-CD1 4.17Å; T124-L145 HydrophobicContact CG2-CD2 3.41Å; T124-L145 VanDerWaalsContact CG2-CD2 3.41Å; T124-L145 HydrophobicContact CG2-CG 4.43Å; F128-L145 HydrophobicContact CD2-CD2 4.3Å; F128-L145 HydrophobicContact CE2-CD2 3.89Å; Y141-L145 VanDerWaalsContact O-CB 3.29Å; Y141-L145 WeakPolarHBondContact O-CB 3.21Å; Y141-L145 PolarHBondContact O-N 3.04Å; V143-L145 PolarHBondContact O-N 3.35Å; L145-F148 PolarHBondContact O-N 3.35Å; L145-F149 HydrophobicContact CD1-CD2 4.27Å; L145-F149 HydrophobicContact CD1-CE2 3.84Å; L145-F149 HydrophobicContact CG-CD2 4.27Å; L145-F149 HydrophobicContact CG-CE2 4.23Å; L145-F149 WeakPolarHBondContact O-CD2 3.16Å; L145-F149 PolarHBondContact O-N 3.41Å |
| 146 | R | 90.9 | Very high | 87 | Confident | 114 Ų | 114 | 75.5 Ų | 75.5 | 43% | 0.43 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67 | -42.1 | 176.1 | -71.7 | 169.2 | 176.4 | -151 | -1.9 | 111.1 | Y64 L121 K142 V143 P144 L150 | Y64-R146 VanDerWaalsContact OH-CZ 3.26Å; Y64-R146 PolarHBondContact OH-NE 2.94Å; Y64-R146 PolarHBondContact OH-NH2 3.32Å; L121-R146 HydrophobicContact CD1-CG 3.84Å; L121-R146 HydrophobicContact CD2-CG 4.15Å; K142-R146 WeakPolarHBondContact O-CD 3.26Å; K142-R146 VanDerWaalsContact O-CG 3.27Å; K142-R146 WeakPolarHBondContact O-CG 3.49Å; V143-R146 WeakPolarHBondContact O-CB 3.41Å; V143-R146 PolarHBondContact O-N 3.43Å; P144-R146 PolarHBondContact O-N 2.92Å; R146-L150 VanDerWaalsContact O-CB 3.3Å; R146-L150 WeakPolarHBondContact O-CB 3.44Å; R146-L150 PolarHBondContact O-N 2.89Å |
| 147 | L | 92.8 | Very high | 88.1 | Confident | 96 Ų | 96 | 73.3 Ų | 73.3 | 50% | 0.503 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 175.7 | -65.8 | 175.1 | 0 | 0 | 0 | 111.4 | V143 P144 L150 C151 | V143-L147 HydrophobicContact CG1-CD1 4.18Å; V143-L147 HydrophobicContact CG1-CG 4.49Å; V143-L147 PolarHBondContact O-N 2.66Å; P144-L147 PolarHBondContact O-N 3.05Å; L147-L150 PolarHBondContact O-N 3.48Å; L147-C151 WeakPolarHBondContact O-CB 3.41Å; L147-C151 PolarHBondContact O-N 3Å; L147-C151 PolarHBondContact O-SG 3.27Å |
| 148 | F | 94 | Very high | 89.1 | Confident | 118 Ų | 118 | 72.3 Ų | 72.3 | 52% | 0.518 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.7 | -54.2 | 176.2 | 175.5 | -98.3 | 0 | 0 | 0 | 112.1 | P144 L145 L150 C151 L152 | P144-F148 WeakPolarHBondContact O-CB 3.44Å; P144-F148 PolarHBondContact O-N 2.85Å; L145-F148 PolarHBondContact O-N 3.35Å; F148-L150 VanDerWaalsContact C-N 3.29Å; F148-L150 PolarHBondContact O-N 2.97Å; F148-C151 PolarHBondContact O-N 3.42Å; F148-L152 HydrophobicContact CE1-CD2 4.31Å; F148-L152 WeakPolarHBondContact O-CB 3.4Å; F148-L152 PolarHBondContact O-N 3.13Å |
| 149 | F | 93.7 | Very high | 90 | Very high | 12 Ų | 12 | 71.7 Ų | 71.7 | 5% | 0.053 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -67.2 | -28.3 | 178.6 | -77.6 | -69.9 | 0 | 0 | 0 | 113.3 | C117 N120 L121 L145 L152 S153 | C117-F149 HydrophobicContact CB-CB 4.49Å; C117-F149 HydrophobicContact CB-CD1 3.95Å; N120-F149 HydrophobicContact CB-CD1 4.45Å; N120-F149 HydrophobicContact CB-CE1 3.63Å; N120-F149 HydrophobicContact CB-CE2 4.22Å; N120-F149 HydrophobicContact CB-CZ 3.5Å; L121-F149 HydrophobicContact CB-CD2 4.03Å; L121-F149 HydrophobicContact CB-CG 4.42Å; L121-F149 HydrophobicContact CD1-CD2 4.07Å; L145-F149 HydrophobicContact CD1-CD2 4.27Å; L145-F149 HydrophobicContact CD1-CE2 3.84Å; L145-F149 HydrophobicContact CG-CD2 4.27Å; L145-F149 HydrophobicContact CG-CE2 4.23Å; L145-F149 WeakPolarHBondContact O-CD2 3.16Å; L145-F149 PolarHBondContact O-N 3.41Å; F149-L152 HydrophobicContact CD1-CD2 4.37Å; F149-S153 WeakPolarHBondContact O-CB 3.48Å; F149-S153 PolarHBondContact O-N 3.34Å; F149-S153 PolarHBondContact O-OG 3.41Å |
| 150 | L | 93.4 | Very high | 90.7 | Very high | 96 Ų | 96 | 68.3 Ų | 68.3 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -68.5 | -49.6 | 172.5 | 179.5 | 61.5 | 0 | 0 | 0 | 111.3 | R146 L147 F148 L152 S153 I154 | R146-L150 VanDerWaalsContact O-CB 3.3Å; R146-L150 WeakPolarHBondContact O-CB 3.44Å; R146-L150 PolarHBondContact O-N 2.89Å; L147-L150 PolarHBondContact O-N 3.48Å; F148-L150 VanDerWaalsContact C-N 3.29Å; F148-L150 PolarHBondContact O-N 2.97Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 2.96Å; L150-S153 WeakPolarHBondContact O-CB 3.17Å; L150-S153 PolarHBondContact O-N 2.87Å; L150-S153 VanDerWaalsContact O-N 3.17Å; L150-I154 HydrophobicContact CD1-CD1 4.06Å; L150-I154 HydrophobicContact CD1-CG1 4.4Å; L150-I154 HydrophobicContact CG-CD1 3.92Å; L150-I154 WeakPolarHBondContact O-CG1 3.18Å; L150-I154 PolarHBondContact O-N 3.18Å |
| 151 | C | 95 | Very high | 91.1 | Very high | 79 Ų | 79 | 64.7 Ų | 64.7 | 53% | 0.534 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.1 | -40 | 176 | -67.6 | 0 | 0 | 0 | 0 | 111.8 | L147 F148 S153 I154 F155 | L147-C151 WeakPolarHBondContact O-CB 3.41Å; L147-C151 PolarHBondContact O-N 3Å; L147-C151 PolarHBondContact O-SG 3.27Å; F148-C151 PolarHBondContact O-N 3.42Å; C151-S153 VanDerWaalsContact C-N 3.33Å; C151-S153 PolarHBondContact O-N 3.45Å; C151-I154 PolarHBondContact O-N 2.83Å; C151-F155 WeakPolarHBondContact O-CB 3.33Å; C151-F155 PolarHBondContact O-N 3.15Å |
| 152 | L | 95.2 | Very high | 91.2 | Very high | 36 Ų | 36 | 61.2 Ų | 61.2 | 19% | 0.188 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.4 | -40.3 | 175.1 | -162.6 | 70.1 | 0 | 0 | 0 | 111.7 | F113 F148 F149 L150 F156 L196 | F113-L152 HydrophobicContact CE1-CG 4.29Å; F113-L152 HydrophobicContact CZ-CD2 4.07Å; F113-L152 HydrophobicContact CZ-CG 4.05Å; F148-L152 HydrophobicContact CE1-CD2 4.31Å; F148-L152 WeakPolarHBondContact O-CB 3.4Å; F148-L152 PolarHBondContact O-N 3.13Å; F149-L152 HydrophobicContact CD1-CD2 4.37Å; L150-L152 VanDerWaalsContact C-N 3.32Å; L150-L152 PolarHBondContact O-N 2.96Å; L152-F156 WeakPolarHBondContact O-CB 3.44Å; L152-F156 PolarHBondContact O-N 3.02Å; L152-L196 HydrophobicContact CD1-CD2 3.7Å; L152-L196 HydrophobicContact CG-CD2 4.37Å |
| 153 | S | 94.3 | Very high | 91 | Very high | 15 Ų | 15 | 59.2 Ų | 59.2 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68 | -42.2 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 112 | F114 F149 L150 C151 F156 L157 | F114-S153 VanDerWaalsContact CE1-O 3.31Å; F114-S153 WeakPolarHBondContact CE1-O 3.22Å; F149-S153 WeakPolarHBondContact O-CB 3.48Å; F149-S153 PolarHBondContact O-N 3.34Å; F149-S153 PolarHBondContact O-OG 3.41Å; L150-S153 WeakPolarHBondContact O-CB 3.17Å; L150-S153 PolarHBondContact O-N 2.87Å; L150-S153 VanDerWaalsContact O-N 3.17Å; C151-S153 VanDerWaalsContact C-N 3.33Å; C151-S153 PolarHBondContact O-N 3.45Å; S153-F156 PolarHBondContact O-N 3.13Å; S153-L157 WeakPolarHBondContact O-CB 3.48Å; S153-L157 PolarHBondContact O-N 3.41Å |
| 154 | I | 94.8 | Very high | 90.4 | Very high | 87 Ų | 87 | 55.1 Ų | 55.1 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 175.5 | -68.1 | 165.8 | 0 | 0 | 0 | 110.5 | L150 C151 L157 V158 | L150-I154 HydrophobicContact CD1-CD1 4.06Å; L150-I154 HydrophobicContact CD1-CG1 4.4Å; L150-I154 HydrophobicContact CG-CD1 3.92Å; L150-I154 WeakPolarHBondContact O-CG1 3.18Å; L150-I154 PolarHBondContact O-N 3.18Å; C151-I154 PolarHBondContact O-N 2.83Å; I154-L157 WeakPolarHBondContact O-CB 3.26Å; I154-L157 PolarHBondContact O-N 3.49Å; I154-V158 HydrophobicContact CG2-CG2 4.35Å; I154-V158 WeakPolarHBondContact O-CG2 3.41Å; I154-V158 PolarHBondContact O-N 2.92Å |
| 155 | F | 94.2 | Very high | 89.9 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 47% | 0.469 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59.6 | -48.5 | 175.8 | 177 | -101.9 | 0 | 0 | 0 | 111.6 | C151 L157 V158 V159 I192 L196 | C151-F155 WeakPolarHBondContact O-CB 3.33Å; C151-F155 PolarHBondContact O-N 3.15Å; F155-L157 VanDerWaalsContact C-N 3.32Å; F155-L157 PolarHBondContact O-N 3.44Å; F155-V158 PolarHBondContact O-N 3.32Å; F155-V159 HydrophobicContact CD1-CG2 4.42Å; F155-V159 HydrophobicContact CD2-CG2 4.44Å; F155-V159 HydrophobicContact CE1-CG2 3.99Å; F155-V159 HydrophobicContact CE2-CG2 4.01Å; F155-V159 HydrophobicContact CZ-CG2 3.77Å; F155-V159 WeakPolarHBondContact O-CG2 3.35Å; F155-V159 PolarHBondContact O-N 2.9Å; F155-I192 HydrophobicContact CE1-CG2 3.89Å; F155-I192 HydrophobicContact CZ-CG2 4.38Å; F155-L196 HydrophobicContact CD1-CD1 3.94Å; F155-L196 HydrophobicContact CE1-CD1 4.01Å |
| 156 | F | 93.1 | Very high | 89.2 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.5 | -46.8 | 174.2 | -170.2 | -78.5 | 0 | 0 | 0 | 111.2 | V109 C110 F113 L152 S153 V158 V159 N160 N193 L196 F197 | V109-F156 HydrophobicContact CG1-CE1 4.41Å; V109-F156 HydrophobicContact CG1-CZ 4.08Å; C110-F156 HydrophobicContact CB-CD1 4.37Å; C110-F156 HydrophobicContact CB-CE1 4.34Å; F113-F156 HydrophobicContact CB-CD1 4.02Å; F113-F156 HydrophobicContact CB-CD2 4.15Å; F113-F156 HydrophobicContact CB-CE1 3.89Å; F113-F156 HydrophobicContact CB-CE2 4Å; F113-F156 HydrophobicContact CB-CG 4.18Å; F113-F156 HydrophobicContact CB-CZ 3.89Å; F113-F156 HydrophobicContact CD1-CB 3.52Å; F113-F156 AromaticContact CD1-CD1 3.94Å; F113-F156 HydrophobicContact CD1-CD1 3.94Å; F113-F156 AromaticContact CD1-CD2 3.51Å; F113-F156 HydrophobicContact CD1-CD2 3.51Å; F113-F156 HydrophobicContact CD1-CE2 4.2Å; F113-F156 AromaticContact CD1-CG 3.37Å; F113-F156 HydrophobicContact CD1-CG 3.37Å; F113-F156 AromaticContact CD2-CD2 3.77Å; F113-F156 HydrophobicContact CD2-CD2 3.77Å; F113-F156 AromaticContact CD2-CE2 3.8Å; F113-F156 HydrophobicContact CD2-CE2 3.8Å; F113-F156 HydrophobicContact CD2-CG 4.44Å; F113-F156 HydrophobicContact CE1-CB 3.57Å; F113-F156 AromaticContact CE1-CD2 3.76Å; F113-F156 HydrophobicContact CE1-CD2 3.76Å; F113-F156 AromaticContact CE1-CG 3.8Å; F113-F156 HydrophobicContact CE1-CG 3.8Å; F113-F156 HydrophobicContact CE2-CD2 4.02Å; F113-F156 HydrophobicContact CE2-CE2 4.35Å; F113-F156 HydrophobicContact CG-CB 4.37Å; F113-F156 HydrophobicContact CG-CD1 4.1Å; F113-F156 AromaticContact CG-CD2 3.51Å; F113-F156 HydrophobicContact CG-CD2 3.51Å; F113-F156 HydrophobicContact CG-CE1 4.3Å; F113-F156 AromaticContact CG-CE2 3.72Å; F113-F156 HydrophobicContact CG-CE2 3.72Å; F113-F156 AromaticContact CG-CG 3.73Å; F113-F156 HydrophobicContact CG-CG 3.73Å; F113-F156 HydrophobicContact CG-CZ 4.13Å; F113-F156 HydrophobicContact CZ-CB 4.47Å; F113-F156 HydrophobicContact CZ-CD2 4.01Å; L152-F156 WeakPolarHBondContact O-CB 3.44Å; L152-F156 PolarHBondContact O-N 3.02Å; S153-F156 PolarHBondContact O-N 3.13Å; F156-V158 PolarHBondContact O-N 3.31Å; F156-V159 PolarHBondContact O-N 2.93Å; F156-N160 VanDerWaalsContact CD1-ND2 3.3Å; F156-N160 WeakPolarHBondContact CD1-ND2 3.26Å; F156-N160 WeakPolarHBondContact CE1-ND2 3.3Å; F156-N160 WeakPolarHBondContact O-CB 3.34Å; F156-N160 PolarHBondContact O-N 3.32Å; F156-N160 VanDerWaalsContact O-N 3.12Å; F156-N160 PolarHBondContact O-ND2 2.87Å; F156-N193 HydrophobicContact CE2-CB 3.81Å; F156-N193 WeakPolarHBondContact CE2-OD1 3.49Å; F156-N193 HydrophobicContact CZ-CB 4.08Å; F156-L196 HydrophobicContact CB-CD1 4.48Å; F156-L196 HydrophobicContact CD2-CB 4.34Å; F156-L196 HydrophobicContact CD2-CD1 3.86Å; F156-F197 HydrophobicContact CE2-CD2 4.17Å; F156-F197 AromaticContact CE2-CE2 3.86Å; F156-F197 HydrophobicContact CE2-CE2 3.86Å; F156-F197 HydrophobicContact CZ-CD2 4.44Å; F156-F197 AromaticContact CZ-CE2 3.72Å; F156-F197 HydrophobicContact CZ-CE2 3.72Å; F156-F197 HydrophobicContact CZ-CZ 4.41Å |
| 157 | L | 91.9 | Very high | 88.2 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 28% | 0.277 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -59.7 | -44.3 | 178.3 | -172.8 | 66.8 | 0 | 0 | 0 | 112.3 | W102 C110 F114 S153 I154 F155 N160 L161 | W102-L157 HydrophobicContact CH2-CD1 4.04Å; W102-L157 HydrophobicContact CZ2-CD1 3.65Å; C110-L157 HydrophobicContact CB-CD1 4.09Å; F114-L157 HydrophobicContact CE1-CB 4.38Å; F114-L157 HydrophobicContact CZ-CB 4.05Å; F114-L157 HydrophobicContact CZ-CD1 4.01Å; F114-L157 HydrophobicContact CZ-CD2 4.27Å; F114-L157 HydrophobicContact CZ-CG 4.34Å; S153-L157 WeakPolarHBondContact O-CB 3.48Å; S153-L157 PolarHBondContact O-N 3.41Å; I154-L157 WeakPolarHBondContact O-CB 3.26Å; I154-L157 PolarHBondContact O-N 3.49Å; F155-L157 VanDerWaalsContact C-N 3.32Å; F155-L157 PolarHBondContact O-N 3.44Å; L157-N160 PolarHBondContact O-N 2.93Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 PolarHBondContact O-N 3.46Å |
| 158 | V | 91.3 | Very high | 87 | Confident | 75 Ų | 75 | 53.6 Ų | 53.6 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 179.4 | 169.5 | 0 | 0 | 0 | 0 | 111.1 | I154 F155 F156 N160 L161 T162 | I154-V158 HydrophobicContact CG2-CG2 4.35Å; I154-V158 WeakPolarHBondContact O-CG2 3.41Å; I154-V158 PolarHBondContact O-N 2.92Å; F155-V158 PolarHBondContact O-N 3.32Å; F156-V158 PolarHBondContact O-N 3.31Å; V158-N160 PolarHBondContact O-N 3.47Å; V158-L161 PolarHBondContact O-N 3.33Å; V158-T162 WeakPolarHBondContact O-CB 3.31Å; V158-T162 PolarHBondContact O-N 3.4Å; V158-T162 PolarHBondContact O-OG1 2.88Å; V158-T162 VanDerWaalsContact O-OG1 3.1Å |
| 159 | V | 89.4 | Confident | 85.6 | Confident | 27 Ų | 27 | 49.6 Ų | 49.6 | 16% | 0.164 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56 | -42.2 | 177 | 170.8 | 0 | 0 | 0 | 0 | 111.4 | F155 F156 C163 R189 I192 | F155-V159 HydrophobicContact CD1-CG2 4.42Å; F155-V159 HydrophobicContact CD2-CG2 4.44Å; F155-V159 HydrophobicContact CE1-CG2 3.99Å; F155-V159 HydrophobicContact CE2-CG2 4.01Å; F155-V159 HydrophobicContact CZ-CG2 3.77Å; F155-V159 WeakPolarHBondContact O-CG2 3.35Å; F155-V159 PolarHBondContact O-N 2.9Å; F156-V159 PolarHBondContact O-N 2.93Å; V159-C163 WeakPolarHBondContact O-CB 3.44Å; V159-C163 PolarHBondContact O-N 3.24Å; V159-C163 VanDerWaalsContact O-N 3.11Å; V159-R189 HydrophobicContact CG1-CB 4.32Å; V159-R189 HydrophobicContact CG1-CG 4.38Å; V159-I192 HydrophobicContact CG1-CG2 4.3Å; V159-I192 HydrophobicContact CG2-CG2 4.42Å |
| 160 | N | 87.8 | Confident | 84.1 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -73.2 | -33.8 | -179.8 | -80.7 | -80.1 | 0 | 0 | 0 | 113.6 | F156 L157 V158 A164 R189 N193 | F156-N160 VanDerWaalsContact CD1-ND2 3.3Å; F156-N160 WeakPolarHBondContact CD1-ND2 3.26Å; F156-N160 WeakPolarHBondContact CE1-ND2 3.3Å; F156-N160 WeakPolarHBondContact O-CB 3.34Å; F156-N160 PolarHBondContact O-N 3.32Å; F156-N160 VanDerWaalsContact O-N 3.12Å; F156-N160 PolarHBondContact O-ND2 2.87Å; L157-N160 PolarHBondContact O-N 2.93Å; V158-N160 PolarHBondContact O-N 3.47Å; N160-A164 PolarHBondContact O-N 2.9Å; N160-R189 PolarHBondContact OD1-NE 3.44Å; N160-R189 PolarHBondContact OD1-NH2 2.99Å; N160-N193 PolarHBondContact ND2-ND2 2.84Å; N160-N193 PolarHBondContact ND2-OD1 3.36Å; N160-N193 PolarHBondContact OD1-ND2 3.38Å |
| 161 | L | 85.9 | Confident | 82.4 | Confident | 60 Ų | 60 | 53.4 Ų | 53.4 | 31% | 0.314 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.9 | -47.9 | 173.6 | -179.2 | 61.9 | 0 | 0 | 0 | 111.7 | W102 L157 V158 C163 A164 L165 | W102-L161 HydrophobicContact CD2-CD1 4.14Å; W102-L161 HydrophobicContact CG-CD1 4.21Å; W102-L161 HydrophobicContact CZ2-CD1 4.44Å; L157-L161 WeakPolarHBondContact O-CB 3.25Å; L157-L161 PolarHBondContact O-N 3.46Å; V158-L161 PolarHBondContact O-N 3.33Å; L161-C163 VanDerWaalsContact C-N 3.33Å; L161-C163 PolarHBondContact O-N 3.31Å; L161-A164 PolarHBondContact O-N 2.88Å; L161-L165 HydrophobicContact CD1-CD1 4.25Å; L161-L165 HydrophobicContact CD1-CG 4.34Å; L161-L165 HydrophobicContact CG-CD1 4.04Å; L161-L165 WeakPolarHBondContact O-CG 3.29Å; L161-L165 PolarHBondContact O-N 3.21Å |
| 162 | T | 84.3 | Confident | 80.6 | Confident | 68 Ų | 68 | 57.5 Ų | 57.5 | 42% | 0.417 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 178.2 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | V158 A164 L165 L166 | V158-T162 WeakPolarHBondContact O-CB 3.31Å; V158-T162 PolarHBondContact O-N 3.4Å; V158-T162 PolarHBondContact O-OG1 2.88Å; V158-T162 VanDerWaalsContact O-OG1 3.1Å; T162-A164 PolarHBondContact O-N 3.4Å; T162-L165 PolarHBondContact O-N 3.42Å; T162-L166 HydrophobicContact CG2-CD1 3.92Å; T162-L166 HydrophobicContact CG2-CG 4.35Å; T162-L166 WeakPolarHBondContact O-CB 3.33Å; T162-L166 VanDerWaalsContact O-CG 3.27Å; T162-L166 WeakPolarHBondContact O-CG 3.34Å; T162-L166 PolarHBondContact O-N 2.69Å |
| 163 | C | 79.6 | Confident | 78.6 | Confident | 10 Ų | 10 | 62.5 Ų | 62.5 | 7% | 0.068 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 177.1 | -174.2 | 0 | 0 | 0 | 0 | 112.9 | V159 L161 L166 A167 R189 | V159-C163 WeakPolarHBondContact O-CB 3.44Å; V159-C163 PolarHBondContact O-N 3.24Å; V159-C163 VanDerWaalsContact O-N 3.11Å; L161-C163 VanDerWaalsContact C-N 3.33Å; L161-C163 PolarHBondContact O-N 3.31Å; C163-L166 PolarHBondContact O-N 2.95Å; C163-A167 WeakPolarHBondContact O-CB 3.49Å; C163-A167 PolarHBondContact O-N 3.42Å; C163-R189 HydrophobicContact CB-CB 4.19Å; C163-R189 HydrophobicContact CB-CG 4.33Å; C163-R189 WeakPolarHBondContact SG-CD 3.42Å |
| 164 | A | 76.9 | Confident | 76.3 | Confident | 7 Ų | 7 | 67.9 Ų | 67.9 | 6% | 0.058 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.8 | -42.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | W102 N160 L161 T162 A167 Q168 | W102-A164 HydrophobicContact CB-CB 4.37Å; W102-A164 HydrophobicContact CG-CB 4.39Å; N160-A164 PolarHBondContact O-N 2.9Å; L161-A164 PolarHBondContact O-N 2.88Å; T162-A164 PolarHBondContact O-N 3.4Å; A164-A167 PolarHBondContact O-N 3.4Å; A164-Q168 WeakPolarHBondContact O-CB 3.41Å; A164-Q168 VanDerWaalsContact O-CD 3.32Å; A164-Q168 WeakPolarHBondContact O-CG 3.35Å; A164-Q168 PolarHBondContact O-N 3.24Å; A164-Q168 PolarHBondContact O-OE1 3.25Å |
| 165 | L | 78.7 | Confident | 74.1 | Confident | 90 Ų | 90 | 71.1 Ų | 71.1 | 47% | 0.471 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 175.6 | -67.6 | 172.9 | 0 | 0 | 0 | 112.4 | L161 T162 Q168 G169 | L161-L165 HydrophobicContact CD1-CD1 4.25Å; L161-L165 HydrophobicContact CD1-CG 4.34Å; L161-L165 HydrophobicContact CG-CD1 4.04Å; L161-L165 WeakPolarHBondContact O-CG 3.29Å; L161-L165 PolarHBondContact O-N 3.21Å; T162-L165 PolarHBondContact O-N 3.42Å; L165-Q168 PolarHBondContact O-N 2.91Å; L165-G169 PolarHBondContact O-N 2.83Å |
| 166 | L | 76.4 | Confident | 71.9 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 52% | 0.524 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.6 | -44.9 | 174.7 | -74.1 | 170.6 | 0 | 0 | 0 | 112.1 | T162 C163 Q168 G169 A170 | T162-L166 HydrophobicContact CG2-CD1 3.92Å; T162-L166 HydrophobicContact CG2-CG 4.35Å; T162-L166 WeakPolarHBondContact O-CB 3.33Å; T162-L166 VanDerWaalsContact O-CG 3.27Å; T162-L166 WeakPolarHBondContact O-CG 3.34Å; T162-L166 PolarHBondContact O-N 2.69Å; C163-L166 PolarHBondContact O-N 2.95Å; L166-Q168 VanDerWaalsContact C-N 3.25Å; L166-Q168 PolarHBondContact O-N 2.79Å; L166-G169 PolarHBondContact O-N 2.97Å; L166-A170 PolarHBondContact O-N 3.48Å; L166-A170 VanDerWaalsContact O-N 3.15Å |
| 167 | A | 69.9 | Low | 69.9 | Low | 45 Ų | 45 | 74.7 Ų | 74.7 | 37% | 0.372 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C163 A164 | C163-A167 WeakPolarHBondContact O-CB 3.49Å; C163-A167 PolarHBondContact O-N 3.42Å; A164-A167 PolarHBondContact O-N 3.4Å |
| 168 | Q | 68.1 | Low | 67.9 | Low | 41 Ų | 41 | 76.8 Ų | 76.8 | 19% | 0.192 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -79.6 | -37.6 | 177.8 | -70.1 | 163.6 | -7.3 | 0 | 0 | 112.6 | P98 A164 L165 L166 A170 L171 M172 | P98-Q168 PolarHBondContact O-NE2 3Å; A164-Q168 WeakPolarHBondContact O-CB 3.41Å; A164-Q168 VanDerWaalsContact O-CD 3.32Å; A164-Q168 WeakPolarHBondContact O-CG 3.35Å; A164-Q168 PolarHBondContact O-N 3.24Å; A164-Q168 PolarHBondContact O-OE1 3.25Å; L165-Q168 PolarHBondContact O-N 2.91Å; L166-Q168 VanDerWaalsContact C-N 3.25Å; L166-Q168 PolarHBondContact O-N 2.79Å; Q168-A170 VanDerWaalsContact C-N 3.31Å; Q168-A170 PolarHBondContact O-N 2.85Å; Q168-L171 WeakPolarHBondContact O-CB 3.4Å; Q168-L171 PolarHBondContact O-N 3.28Å; Q168-M172 PolarHBondContact O-N 3.39Å; Q168-M172 VanDerWaalsContact O-N 3.12Å |
| 169 | G | 63.9 | Low | 66.3 | Low | 33 Ų | 33 | 77.7 Ų | 77.7 | 34% | 0.34 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.4 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | L165 L166 L171 M172 H173 | L165-G169 PolarHBondContact O-N 2.83Å; L166-G169 PolarHBondContact O-N 2.97Å; G169-L171 PolarHBondContact O-N 3.1Å; G169-M172 PolarHBondContact O-N 2.97Å; G169-H173 PolarHBondContact O-N 3.49Å; G169-H173 VanDerWaalsContact O-N 3.13Å |
| 170 | A | 61.3 | Low | 65 | Low | 34 Ų | 34 | 77.8 Ų | 77.8 | 28% | 0.281 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -68.5 | -16.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | L166 Q168 I182 | L166-A170 PolarHBondContact O-N 3.48Å; L166-A170 VanDerWaalsContact O-N 3.15Å; Q168-A170 VanDerWaalsContact C-N 3.31Å; Q168-A170 PolarHBondContact O-N 2.85Å; A170-I182 HydrophobicContact CB-CD1 3.37Å; A170-I182 HydrophobicContact CB-CG1 4.18Å |
| 171 | L | 57.2 | Low | 64 | Low | 155 Ų | 155 | 79.7 Ų | 79.7 | 81% | 0.812 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -93.8 | -20.7 | 177.5 | -149.9 | 153 | 0 | 0 | 0 | 111.4 | Q168 G169 | Q168-L171 WeakPolarHBondContact O-CB 3.4Å; Q168-L171 PolarHBondContact O-N 3.28Å; G169-L171 PolarHBondContact O-N 3.1Å |
| 172 | M | 57.3 | Low | 63.2 | Low | 164 Ų | 164 | 79.3 Ų | 79.3 | 81% | 0.808 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -87.9 | -31.2 | 176.2 | -108.4 | -79.6 | -177.6 | 0 | 0 | 113.7 | Q168 G169 | Q168-M172 PolarHBondContact O-N 3.39Å; Q168-M172 VanDerWaalsContact O-N 3.12Å; G169-M172 PolarHBondContact O-N 2.97Å |
| 173 | H | 53.8 | Low | 62.4 | Low | 141 Ų | 141 | 82.7 Ų | 82.7 | 65% | 0.653 | 48% | 0.48 | S | S | * | . | trans | -95.3 | 111.7 | 177.5 | -81.8 | -77.2 | 0 | 0 | 0 | 111.6 | G169 E175 | G169-H173 PolarHBondContact O-N 3.49Å; G169-H173 VanDerWaalsContact O-N 3.13Å; H173-E175 PolarHBondContact O-N 3.43Å | ||
| 174 | S | 45.9 | Very low | 62.1 | Low | 129 Ų | 129 | 87.8 Ų | 87.8 | 90% | 0.902 | 50% | 0.502 | S | S | * | . | trans | -72.3 | 20 | 178.4 | -46.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 175 | E | 49.4 | Very low | 62.1 | Low | 154 Ų | 154 | 89.1 Ų | 89.1 | 72% | 0.72 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -83.6 | 132.6 | 166 | -84.3 | -74.1 | 112.4 | 0 | 0 | 107.9 | H173 P177 | H173-E175 PolarHBondContact O-N 3.43Å; E175-P177 WeakPolarHBondContact O-CD 3.28Å |
| 176 | P | 46.8 | Very low | 61.9 | Low | 112 Ų | 112 | 85.7 Ų | 85.7 | 73% | 0.727 | 50% | 0.496 | S | S | * | . | trans | -64.4 | 111.2 | -178.7 | 26.4 | -33.2 | 0 | 0 | 0 | 109.7 | ||||
| 177 | P | 51.4 | Low | 61.9 | Low | 70 Ų | 70 | 83.4 Ų | 83.4 | 46% | 0.455 | 48% | 0.484 | S | S | . | . | trans | -66.9 | 151.5 | 179 | 29.7 | -34.6 | 0 | 0 | 0 | 109.3 | E175 D179 I182 | E175-P177 WeakPolarHBondContact O-CD 3.28Å; P177-D179 VanDerWaalsContact C-N 3.33Å; P177-D179 PolarHBondContact O-N 3.2Å; P177-I182 HydrophobicContact CB-CD1 3.57Å; P177-I182 HydrophobicContact CB-CG1 4.46Å; P177-I182 HydrophobicContact CG-CD1 3.6Å | ||
| 178 | S | 50.9 | Low | 62.4 | Low | 98 Ų | 98 | 83.3 Ų | 83.3 | 69% | 0.685 | 48% | 0.483 | S | S | * | . | trans | -63.8 | 99.6 | 162.3 | 47.2 | 0 | 0 | 0 | 0 | 108 | G180 G181 | S178-G180 PolarHBondContact O-N 3.15Å; S178-G181 WeakPolarHBondContact O-CA 3.3Å; S178-G181 PolarHBondContact O-N 2.88Å | ||
| 179 | D | 56.7 | Low | 63.2 | Low | 93 Ų | 93 | 81.9 Ų | 81.9 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -49.7 | -38.4 | -171.1 | 175.3 | 60.1 | 0 | 0 | 0 | 112.9 | P177 G181 I182 R183 | P177-D179 VanDerWaalsContact C-N 3.33Å; P177-D179 PolarHBondContact O-N 3.2Å; D179-G181 VanDerWaalsContact C-N 3.33Å; D179-G181 PolarHBondContact O-N 2.98Å; D179-I182 PolarHBondContact O-N 3.36Å; D179-R183 VanDerWaalsContact CG-CD 3.42Å; D179-R183 WeakPolarHBondContact O-CD 3.23Å; D179-R183 VanDerWaalsContact O-CG 3.29Å; D179-R183 WeakPolarHBondContact O-CG 3.44Å; D179-R183 PolarHBondContact O-N 3.04Å; D179-R183 VanDerWaalsContact OD1-CD 3.3Å; D179-R183 WeakPolarHBondContact OD1-CD 3.49Å; D179-R183 WeakPolarHBondContact OD2-CD 3.42Å; D179-R183 IonicContact OD2-CZ 3.6Å; D179-R183 IonicContact OD2-NE 3.75Å; D179-R183 IonicContact OD2-NH1 2.7Å; D179-R183 PolarHBondContact OD2-NH1 2.93Å |
| 180 | G | 62.5 | Low | 64.1 | Low | 30 Ų | 30 | 80.4 Ų | 80.4 | 31% | 0.309 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -54 | -41.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | S178 I182 R183 H184 | S178-G180 PolarHBondContact O-N 3.15Å; G180-I182 PolarHBondContact O-N 2.89Å; G180-R183 PolarHBondContact O-N 3.41Å; G180-H184 VanDerWaalsContact C-CD2 3.45Å; G180-H184 VanDerWaalsContact O-CB 3.28Å; G180-H184 WeakPolarHBondContact O-CB 3.42Å; G180-H184 PolarHBondContact O-CD2 3.05Å; G180-H184 PolarHBondContact O-N 3.15Å |
| 181 | G | 66.9 | Low | 65.3 | Low | 40 Ų | 40 | 82.9 Ų | 82.9 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | S178 D179 A185 | S178-G181 WeakPolarHBondContact O-CA 3.3Å; S178-G181 PolarHBondContact O-N 2.88Å; D179-G181 VanDerWaalsContact C-N 3.33Å; D179-G181 PolarHBondContact O-N 2.98Å; G181-A185 WeakPolarHBondContact O-CB 3.35Å; G181-A185 PolarHBondContact O-N 3.42Å |
| 182 | I | 68.6 | Low | 66.8 | Low | 51 Ų | 51 | 78.5 Ų | 78.5 | 26% | 0.262 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.4 | -45.2 | 176.6 | -59.6 | 162.6 | 0 | 0 | 0 | 109.7 | A170 P177 D179 G180 H184 A185 V186 | A170-I182 HydrophobicContact CB-CD1 3.37Å; A170-I182 HydrophobicContact CB-CG1 4.18Å; P177-I182 HydrophobicContact CB-CD1 3.57Å; P177-I182 HydrophobicContact CB-CG1 4.46Å; P177-I182 HydrophobicContact CG-CD1 3.6Å; D179-I182 PolarHBondContact O-N 3.36Å; G180-I182 PolarHBondContact O-N 2.89Å; I182-H184 VanDerWaalsContact C-N 3.33Å; I182-H184 PolarHBondContact O-N 3.29Å; I182-A185 WeakPolarHBondContact O-CB 3.49Å; I182-A185 PolarHBondContact O-N 3.05Å; I182-A185 VanDerWaalsContact O-N 3.07Å; I182-V186 HydrophobicContact CG2-CG2 4.48Å; I182-V186 WeakPolarHBondContact O-CG2 3.49Å; I182-V186 PolarHBondContact O-N 2.83Å |
| 183 | R | 69.1 | Low | 68.4 | Low | 139 Ų | 139 | 71.1 Ų | 71.1 | 53% | 0.525 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.2 | -41.4 | 179.1 | -67.4 | 168.8 | 73.3 | 170 | 3.1 | 111.2 | D179 G180 V186 L187 | D179-R183 VanDerWaalsContact CG-CD 3.42Å; D179-R183 WeakPolarHBondContact O-CD 3.23Å; D179-R183 VanDerWaalsContact O-CG 3.29Å; D179-R183 WeakPolarHBondContact O-CG 3.44Å; D179-R183 PolarHBondContact O-N 3.04Å; D179-R183 VanDerWaalsContact OD1-CD 3.3Å; D179-R183 WeakPolarHBondContact OD1-CD 3.49Å; D179-R183 WeakPolarHBondContact OD2-CD 3.42Å; D179-R183 IonicContact OD2-CZ 3.6Å; D179-R183 IonicContact OD2-NE 3.75Å; D179-R183 IonicContact OD2-NH1 2.7Å; D179-R183 PolarHBondContact OD2-NH1 2.93Å; G180-R183 PolarHBondContact O-N 3.41Å; R183-V186 PolarHBondContact O-N 3.46Å; R183-L187 WeakPolarHBondContact O-CB 3.39Å; R183-L187 WeakPolarHBondContact O-CG 3.34Å; R183-L187 PolarHBondContact O-N 2.89Å |
| 184 | H | 72.7 | Confident | 70.1 | Confident | 117 Ų | 117 | 64.8 Ų | 64.8 | 54% | 0.542 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 171.8 | -67.2 | -43 | 0 | 0 | 0 | 112.4 | G180 I182 A188 | G180-H184 VanDerWaalsContact C-CD2 3.45Å; G180-H184 VanDerWaalsContact O-CB 3.28Å; G180-H184 WeakPolarHBondContact O-CB 3.42Å; G180-H184 PolarHBondContact O-CD2 3.05Å; G180-H184 PolarHBondContact O-N 3.15Å; I182-H184 VanDerWaalsContact C-N 3.33Å; I182-H184 PolarHBondContact O-N 3.29Å; H184-A188 WeakPolarHBondContact O-CB 3.48Å; H184-A188 PolarHBondContact O-N 3.5Å |
| 185 | A | 75.6 | Confident | 72.2 | Confident | 35 Ų | 35 | 60.9 Ų | 60.9 | 29% | 0.289 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -65.3 | -40 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | G181 I182 R189 | G181-A185 WeakPolarHBondContact O-CB 3.35Å; G181-A185 PolarHBondContact O-N 3.42Å; I182-A185 WeakPolarHBondContact O-CB 3.49Å; I182-A185 PolarHBondContact O-N 3.05Å; I182-A185 VanDerWaalsContact O-N 3.07Å; A185-R189 PolarHBondContact O-N 2.97Å |
| 186 | V | 75.2 | Confident | 74.3 | Confident | 19 Ų | 19 | 54.4 Ų | 54.4 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.1 | -44.6 | 175.6 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | I182 R183 A188 R189 V190 Y269 | I182-V186 HydrophobicContact CG2-CG2 4.48Å; I182-V186 WeakPolarHBondContact O-CG2 3.49Å; I182-V186 PolarHBondContact O-N 2.83Å; R183-V186 PolarHBondContact O-N 3.46Å; V186-A188 VanDerWaalsContact C-N 3.32Å; V186-A188 PolarHBondContact O-N 3.25Å; V186-R189 WeakPolarHBondContact O-CB 3.48Å; V186-R189 PolarHBondContact O-N 3.46Å; V186-V190 WeakPolarHBondContact O-CG2 3.31Å; V186-V190 PolarHBondContact O-N 3.41Å; V186-Y269 HydrophobicContact CG1-CE2 3.86Å |
| 187 | L | 76.2 | Confident | 76.5 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 175 | -71 | 169.2 | 0 | 0 | 0 | 111.8 | R183 V190 L191 V253 Y269 | R183-L187 WeakPolarHBondContact O-CB 3.39Å; R183-L187 WeakPolarHBondContact O-CG 3.34Å; R183-L187 PolarHBondContact O-N 2.89Å; L187-V190 PolarHBondContact O-N 2.88Å; L187-L191 WeakPolarHBondContact O-CB 3.12Å; L187-L191 PolarHBondContact O-N 3.22Å; L187-V253 HydrophobicContact CD2-CG1 4.26Å; L187-V253 HydrophobicContact CD2-CG2 3.94Å; L187-Y269 HydrophobicContact CD2-CD2 4.23Å; L187-Y269 HydrophobicContact CD2-CE2 4.44Å |
| 188 | A | 80.1 | Confident | 78.4 | Confident | 42 Ų | 42 | 47.3 Ų | 47.3 | 35% | 0.347 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.2 | -41 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | H184 V186 L191 I192 | H184-A188 WeakPolarHBondContact O-CB 3.48Å; H184-A188 PolarHBondContact O-N 3.5Å; V186-A188 VanDerWaalsContact C-N 3.32Å; V186-A188 PolarHBondContact O-N 3.25Å; A188-L191 PolarHBondContact O-N 3.5Å; A188-I192 WeakPolarHBondContact O-CB 3.45Å; A188-I192 WeakPolarHBondContact O-CD1 3.37Å; A188-I192 WeakPolarHBondContact O-CG1 3.46Å; A188-I192 PolarHBondContact O-N 3.23Å |
| 189 | R | 85.4 | Confident | 80.4 | Confident | 12 Ų | 12 | 48 Ų | 48 | 5% | 0.045 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 171.6 | 163.2 | 176.9 | 167.9 | -129.5 | 0.5 | 111.6 | C106 V159 N160 C163 A185 V186 I192 N193 D273 | C106-R189 PolarHBondContact SG-NH2 2.98Å; V159-R189 HydrophobicContact CG1-CB 4.32Å; V159-R189 HydrophobicContact CG1-CG 4.38Å; N160-R189 PolarHBondContact OD1-NE 3.44Å; N160-R189 PolarHBondContact OD1-NH2 2.99Å; C163-R189 HydrophobicContact CB-CB 4.19Å; C163-R189 HydrophobicContact CB-CG 4.33Å; C163-R189 WeakPolarHBondContact SG-CD 3.42Å; A185-R189 PolarHBondContact O-N 2.97Å; V186-R189 WeakPolarHBondContact O-CB 3.48Å; V186-R189 PolarHBondContact O-N 3.46Å; R189-I192 PolarHBondContact O-N 2.91Å; R189-N193 WeakPolarHBondContact O-CB 3.17Å; R189-N193 PolarHBondContact O-N 3.29Å; R189-D273 IonicContact CZ-OD1 3.59Å; R189-D273 IonicContact CZ-OD2 2.7Å; R189-D273 IonicContact NH1-OD1 2.85Å; R189-D273 IonicContact NH1-OD2 2.74Å; R189-D273 PolarHBondContact NH1-OD2 3.39Å; R189-D273 IonicContact NH2-OD1 3.61Å; R189-D273 PolarHBondContact NH2-OD1 3.4Å; R189-D273 IonicContact NH2-OD2 3.44Å; R189-D273 PolarHBondContact NH2-OD2 3.29Å |
| 190 | V | 83.9 | Confident | 82.2 | Confident | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.012 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.1 | -51.4 | 179.5 | 174 | 0 | 0 | 0 | 0 | 109.8 | V186 L187 I192 N193 D194 N249 V253 Y269 | V186-V190 WeakPolarHBondContact O-CG2 3.31Å; V186-V190 PolarHBondContact O-N 3.41Å; L187-V190 PolarHBondContact O-N 2.88Å; V190-I192 PolarHBondContact O-N 3.38Å; V190-N193 PolarHBondContact O-N 3.05Å; V190-D194 WeakPolarHBondContact CG1-OD2 3.44Å; V190-D194 WeakPolarHBondContact O-CB 3.49Å; V190-D194 PolarHBondContact O-N 2.96Å; V190-N249 HydrophobicContact CG1-CB 4.12Å; V190-V253 HydrophobicContact CG1-CG2 3.88Å; V190-Y269 HydrophobicContact CG2-CD2 4.47Å |
| 191 | L | 86.3 | Confident | 83.7 | Confident | 86 Ų | 86 | 42.5 Ų | 42.5 | 45% | 0.45 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -55.3 | -46.6 | 177.2 | -177.6 | 66.2 | 0 | 0 | 0 | 112.8 | L187 A188 S195 L250 | L187-L191 WeakPolarHBondContact O-CB 3.12Å; L187-L191 PolarHBondContact O-N 3.22Å; A188-L191 PolarHBondContact O-N 3.5Å; L191-S195 WeakPolarHBondContact O-CB 3.41Å; L191-S195 PolarHBondContact O-N 2.9Å; L191-S195 PolarHBondContact O-OG 3.27Å; L191-L250 HydrophobicContact CD1-CD2 3.61Å |
| 192 | I | 89.1 | Confident | 85 | Confident | 62 Ų | 62 | 45.1 Ų | 45.1 | 32% | 0.318 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66.3 | -48.4 | 178.6 | -69.9 | 164.6 | 0 | 0 | 0 | 110.8 | F155 V159 A188 R189 V190 L196 | F155-I192 HydrophobicContact CE1-CG2 3.89Å; F155-I192 HydrophobicContact CZ-CG2 4.38Å; V159-I192 HydrophobicContact CG1-CG2 4.3Å; V159-I192 HydrophobicContact CG2-CG2 4.42Å; A188-I192 WeakPolarHBondContact O-CB 3.45Å; A188-I192 WeakPolarHBondContact O-CD1 3.37Å; A188-I192 WeakPolarHBondContact O-CG1 3.46Å; A188-I192 PolarHBondContact O-N 3.23Å; R189-I192 PolarHBondContact O-N 2.91Å; V190-I192 PolarHBondContact O-N 3.38Å; I192-L196 HydrophobicContact CG2-CD1 3.95Å; I192-L196 WeakPolarHBondContact O-CB 3.41Å; I192-L196 VanDerWaalsContact O-CG 3.25Å; I192-L196 WeakPolarHBondContact O-CG 3.3Å; I192-L196 PolarHBondContact O-N 3.42Å |
| 193 | N | 90.3 | Very high | 86.2 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.053 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59 | -51.2 | -179.3 | -78.7 | -8 | 0 | 0 | 0 | 111.7 | F156 N160 R189 V190 L196 F197 | F156-N193 HydrophobicContact CE2-CB 3.81Å; F156-N193 WeakPolarHBondContact CE2-OD1 3.49Å; F156-N193 HydrophobicContact CZ-CB 4.08Å; N160-N193 PolarHBondContact ND2-ND2 2.84Å; N160-N193 PolarHBondContact ND2-OD1 3.36Å; N160-N193 PolarHBondContact OD1-ND2 3.38Å; R189-N193 WeakPolarHBondContact O-CB 3.17Å; R189-N193 PolarHBondContact O-N 3.29Å; V190-N193 PolarHBondContact O-N 3.05Å; N193-L196 WeakPolarHBondContact O-CB 3.3Å; N193-L196 PolarHBondContact O-N 2.98Å; N193-F197 WeakPolarHBondContact O-CD2 3.42Å; N193-F197 PolarHBondContact O-N 3.01Å |
| 194 | D | 89.6 | Confident | 87.3 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74.3 | -32.7 | -174.6 | -71 | -46.8 | 0 | 0 | 0 | 111.7 | V190 L196 F197 V198 A246 N249 L250 | V190-D194 WeakPolarHBondContact CG1-OD2 3.44Å; V190-D194 WeakPolarHBondContact O-CB 3.49Å; V190-D194 PolarHBondContact O-N 2.96Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-L196 PolarHBondContact O-N 2.79Å; D194-F197 PolarHBondContact O-N 2.77Å; D194-V198 WeakPolarHBondContact O-CG2 3.39Å; D194-V198 PolarHBondContact O-N 3.12Å; D194-A246 HydrophobicContact CB-CB 3.82Å; D194-N249 PolarHBondContact OD1-ND2 3.33Å; D194-N249 WeakPolarHBondContact OD2-CB 3.35Å; D194-N249 PolarHBondContact OD2-ND2 3.18Å; D194-L250 HydrophobicContact CB-CD1 4.41Å; D194-L250 HydrophobicContact CB-CD2 4.31Å; D194-L250 HydrophobicContact CB-CG 4.07Å |
| 195 | S | 90.4 | Very high | 88.3 | Confident | 47 Ų | 47 | 34.6 Ų | 34.6 | 33% | 0.329 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.3 | -42 | 167 | -62 | 0 | 0 | 0 | 0 | 111.9 | L191 V198 L199 | L191-S195 WeakPolarHBondContact O-CB 3.41Å; L191-S195 PolarHBondContact O-N 2.9Å; L191-S195 PolarHBondContact O-OG 3.27Å; S195-V198 PolarHBondContact O-N 3.11Å; S195-L199 WeakPolarHBondContact O-CB 3.15Å; S195-L199 VanDerWaalsContact O-CG 3.26Å; S195-L199 WeakPolarHBondContact O-CG 3.43Å; S195-L199 PolarHBondContact O-N 3.43Å |
| 196 | L | 92.6 | Very high | 89.1 | Confident | 19 Ų | 19 | 36.6 Ų | 36.6 | 10% | 0.099 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.8 | -40.5 | 175.5 | -74.2 | 171.7 | 0 | 0 | 0 | 112 | F113 L152 F155 F156 I192 N193 D194 C200 | F113-L196 HydrophobicContact CE2-CB 3.81Å; F113-L196 HydrophobicContact CZ-CB 3.97Å; L152-L196 HydrophobicContact CD1-CD2 3.7Å; L152-L196 HydrophobicContact CG-CD2 4.37Å; F155-L196 HydrophobicContact CD1-CD1 3.94Å; F155-L196 HydrophobicContact CE1-CD1 4.01Å; F156-L196 HydrophobicContact CB-CD1 4.48Å; F156-L196 HydrophobicContact CD2-CB 4.34Å; F156-L196 HydrophobicContact CD2-CD1 3.86Å; I192-L196 HydrophobicContact CG2-CD1 3.95Å; I192-L196 WeakPolarHBondContact O-CB 3.41Å; I192-L196 VanDerWaalsContact O-CG 3.25Å; I192-L196 WeakPolarHBondContact O-CG 3.3Å; I192-L196 PolarHBondContact O-N 3.42Å; N193-L196 WeakPolarHBondContact O-CB 3.3Å; N193-L196 PolarHBondContact O-N 2.98Å; D194-L196 VanDerWaalsContact C-N 3.33Å; D194-L196 PolarHBondContact O-N 2.79Å; L196-C200 WeakPolarHBondContact O-CB 3.25Å; L196-C200 PolarHBondContact O-N 3.5Å |
| 197 | F | 92 | Very high | 89.8 | Confident | 2 Ų | 2 | 36.1 Ų | 36.1 | 1% | 0.009 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.8 | -47.6 | 172.5 | -88.9 | -74.4 | 0 | 0 | 0 | 111.6 | V109 Q112 F113 L116 F156 N193 D194 C200 A201 Y242 A246 | V109-F197 HydrophobicContact CG1-CE2 4.06Å; V109-F197 HydrophobicContact CG1-CZ 4.34Å; Q112-F197 HydrophobicContact CB-CZ 4.41Å; F113-F197 HydrophobicContact CB-CE1 4.16Å; F113-F197 HydrophobicContact CB-CE2 4.27Å; F113-F197 HydrophobicContact CB-CZ 3.73Å; F113-F197 HydrophobicContact CD2-CD1 4.14Å; F113-F197 HydrophobicContact CD2-CD2 4.32Å; F113-F197 HydrophobicContact CD2-CE1 4.06Å; F113-F197 HydrophobicContact CD2-CE2 4.25Å; F113-F197 HydrophobicContact CD2-CG 4.26Å; F113-F197 HydrophobicContact CD2-CZ 4.11Å; F113-F197 HydrophobicContact CG-CZ 4.43Å; L116-F197 HydrophobicContact CD2-CD1 3.66Å; L116-F197 HydrophobicContact CD2-CE1 4.21Å; F156-F197 HydrophobicContact CE2-CD2 4.17Å; F156-F197 AromaticContact CE2-CE2 3.86Å; F156-F197 HydrophobicContact CE2-CE2 3.86Å; F156-F197 HydrophobicContact CZ-CD2 4.44Å; F156-F197 AromaticContact CZ-CE2 3.72Å; F156-F197 HydrophobicContact CZ-CE2 3.72Å; F156-F197 HydrophobicContact CZ-CZ 4.41Å; N193-F197 WeakPolarHBondContact O-CD2 3.42Å; N193-F197 PolarHBondContact O-N 3.01Å; D194-F197 PolarHBondContact O-N 2.77Å; F197-C200 PolarHBondContact O-N 3.38Å; F197-A201 VanDerWaalsContact O-CB 3.27Å; F197-A201 WeakPolarHBondContact O-CB 3.27Å; F197-A201 PolarHBondContact O-N 2.85Å; F197-Y242 AromaticContact CD1-CD1 3.91Å; F197-Y242 HydrophobicContact CD1-CD1 3.91Å; F197-Y242 HydrophobicContact CD1-CE1 4.49Å; F197-Y242 HydrophobicContact CD1-CG 4.25Å; F197-Y242 AromaticContact CE1-CD1 3.73Å; F197-Y242 HydrophobicContact CE1-CD1 3.73Å; F197-Y242 AromaticContact CE1-CE1 3.88Å; F197-Y242 HydrophobicContact CE1-CE1 3.88Å; F197-Y242 HydrophobicContact CE1-CG 4.41Å; F197-A246 HydrophobicContact CB-CB 4.3Å |
| 198 | V | 92.6 | Very high | 90.5 | Very high | 31 Ų | 31 | 34.2 Ų | 34.2 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -48 | 178.4 | 170.5 | 0 | 0 | 0 | 0 | 111.7 | D194 S195 C200 A201 I202 A246 L250 | D194-V198 WeakPolarHBondContact O-CG2 3.39Å; D194-V198 PolarHBondContact O-N 3.12Å; S195-V198 PolarHBondContact O-N 3.11Å; V198-C200 VanDerWaalsContact C-N 3.32Å; V198-C200 PolarHBondContact O-N 2.97Å; V198-A201 PolarHBondContact O-N 3.37Å; V198-I202 HydrophobicContact CG1-CD1 3.68Å; V198-I202 HydrophobicContact CG1-CG1 4.36Å; V198-I202 VanDerWaalsContact O-CG1 3.3Å; V198-I202 WeakPolarHBondContact O-CG1 3.39Å; V198-I202 PolarHBondContact O-N 3.2Å; V198-A246 HydrophobicContact CG2-CB 3.62Å; V198-L250 HydrophobicContact CG2-CD1 4.49Å |
| 199 | L | 93.5 | Very high | 90.9 | Very high | 113 Ų | 113 | 38.1 Ų | 38.1 | 59% | 0.592 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -61 | -40.8 | 177.7 | -71.6 | 169.6 | 0 | 0 | 0 | 111.9 | S195 S203 | S195-L199 WeakPolarHBondContact O-CB 3.15Å; S195-L199 VanDerWaalsContact O-CG 3.26Å; S195-L199 WeakPolarHBondContact O-CG 3.43Å; S195-L199 PolarHBondContact O-N 3.43Å; L199-S203 WeakPolarHBondContact O-CB 3.41Å; L199-S203 PolarHBondContact O-N 2.96Å |
| 200 | C | 94.1 | Very high | 91 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.034 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -70.2 | -34.3 | 177.7 | -155.4 | 0 | 0 | 0 | 0 | 111.8 | F113 L116 N120 L196 F197 V198 L204 | F113-C200 HydrophobicContact CE2-CB 4.24Å; L116-C200 HydrophobicContact CD2-CB 3.89Å; L116-C200 HydrophobicContact CG-CB 4.18Å; N120-C200 PolarHBondContact ND2-O 3.46Å; N120-C200 PolarHBondContact ND2-SG 3.15Å; N120-C200 PolarHBondContact OD1-O 2.8Å; L196-C200 WeakPolarHBondContact O-CB 3.25Å; L196-C200 PolarHBondContact O-N 3.5Å; F197-C200 PolarHBondContact O-N 3.38Å; V198-C200 VanDerWaalsContact C-N 3.32Å; V198-C200 PolarHBondContact O-N 2.97Å; C200-L204 WeakPolarHBondContact O-CB 3.18Å; C200-L204 PolarHBondContact O-N 3.35Å |
| 201 | A | 93.4 | Very high | 91.1 | Very high | 1 Ų | 1 | 42.5 Ų | 42.5 | 1% | 0.008 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -71.5 | -39.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F197 V198 L204 A205 I239 | F197-A201 VanDerWaalsContact O-CB 3.27Å; F197-A201 WeakPolarHBondContact O-CB 3.27Å; F197-A201 PolarHBondContact O-N 2.85Å; V198-A201 PolarHBondContact O-N 3.37Å; A201-L204 WeakPolarHBondContact O-CB 3.33Å; A201-L204 PolarHBondContact O-N 2.87Å; A201-A205 WeakPolarHBondContact O-CB 3.39Å; A201-A205 PolarHBondContact O-N 3.07Å; A201-I239 HydrophobicContact CB-CG2 4.34Å |
| 202 | I | 93.7 | Very high | 91.1 | Very high | 95 Ų | 95 | 40.2 Ų | 40.2 | 49% | 0.487 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.8 | -45.3 | 173.1 | -69.2 | 166.4 | 0 | 0 | 0 | 110.4 | V198 L204 A205 V206 | V198-I202 HydrophobicContact CG1-CD1 3.68Å; V198-I202 HydrophobicContact CG1-CG1 4.36Å; V198-I202 VanDerWaalsContact O-CG1 3.3Å; V198-I202 WeakPolarHBondContact O-CG1 3.39Å; V198-I202 PolarHBondContact O-N 3.2Å; I202-L204 VanDerWaalsContact C-N 3.29Å; I202-L204 PolarHBondContact O-N 3.37Å; I202-A205 WeakPolarHBondContact O-CB 3.48Å; I202-A205 PolarHBondContact O-N 3.41Å; I202-V206 WeakPolarHBondContact O-CG2 3.44Å; I202-V206 PolarHBondContact O-N 3.49Å |
| 203 | S | 93.9 | Very high | 90.9 | Very high | 47 Ų | 47 | 45 Ų | 45 | 33% | 0.329 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -58.2 | -42 | 175.1 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | N120 L199 V206 C207 | N120-S203 VanDerWaalsContact OD1-C 3.31Å; N120-S203 WeakPolarHBondContact OD1-CB 3.27Å; N120-S203 PolarHBondContact OD1-OG 2.89Å; L199-S203 WeakPolarHBondContact O-CB 3.41Å; L199-S203 PolarHBondContact O-N 2.96Å; S203-V206 PolarHBondContact O-N 2.84Å; S203-C207 WeakPolarHBondContact O-CB 3.27Å; S203-C207 PolarHBondContact O-N 2.93Å; S203-C207 PolarHBondContact O-SG 3.36Å |
| 204 | L | 92.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.8 | -43.2 | 176.9 | -175.7 | 56.5 | 0 | 0 | 0 | 111.9 | L116 L119 N120 F123 C200 A201 I202 V206 C207 I208 I239 | L116-L204 HydrophobicContact CD1-CD2 3.65Å; L119-L204 HydrophobicContact CD2-CD2 3.7Å; L119-L204 HydrophobicContact CG-CD1 4.14Å; L119-L204 HydrophobicContact CG-CD2 4.08Å; N120-L204 VanDerWaalsContact OD1-CA 3.31Å; N120-L204 WeakPolarHBondContact OD1-CA 3.44Å; N120-L204 PolarHBondContact OD1-N 2.9Å; F123-L204 HydrophobicContact CD2-CD1 3.55Å; F123-L204 HydrophobicContact CE2-CD1 4.16Å; F123-L204 HydrophobicContact CG-CD1 4.43Å; C200-L204 WeakPolarHBondContact O-CB 3.18Å; C200-L204 PolarHBondContact O-N 3.35Å; A201-L204 WeakPolarHBondContact O-CB 3.33Å; A201-L204 PolarHBondContact O-N 2.87Å; I202-L204 VanDerWaalsContact C-N 3.29Å; I202-L204 PolarHBondContact O-N 3.37Å; L204-V206 PolarHBondContact O-N 3.48Å; L204-C207 PolarHBondContact O-N 2.88Å; L204-I208 HydrophobicContact CD1-CD1 3.88Å; L204-I208 HydrophobicContact CD1-CG1 4.19Å; L204-I208 HydrophobicContact CG-CD1 3.82Å; L204-I208 WeakPolarHBondContact O-CG1 3.5Å; L204-I208 PolarHBondContact O-N 3.43Å; L204-I239 HydrophobicContact CB-CD1 4.26Å; L204-I239 HydrophobicContact CB-CG1 4.18Å; L204-I239 HydrophobicContact CD2-CD1 4.31Å; L204-I239 HydrophobicContact CD2-CG1 3.83Å; L204-I239 HydrophobicContact CG-CD1 3.97Å; L204-I239 HydrophobicContact CG-CG1 3.99Å |
| 205 | A | 93.5 | Very high | 89.9 | Confident | 39 Ų | 39 | 50.3 Ų | 50.3 | 32% | 0.322 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.1 | -46.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A201 I202 C207 I208 F209 I239 | A201-A205 WeakPolarHBondContact O-CB 3.39Å; A201-A205 PolarHBondContact O-N 3.07Å; I202-A205 WeakPolarHBondContact O-CB 3.48Å; I202-A205 PolarHBondContact O-N 3.41Å; A205-C207 PolarHBondContact O-N 3.26Å; A205-I208 PolarHBondContact O-N 2.83Å; A205-F209 VanDerWaalsContact O-CB 3.3Å; A205-F209 WeakPolarHBondContact O-CB 3.43Å; A205-F209 PolarHBondContact O-N 3.34Å; A205-I239 HydrophobicContact CB-CD1 3.77Å |
| 206 | V | 92 | Very high | 89.2 | Confident | 77 Ų | 77 | 50.4 Ų | 50.4 | 47% | 0.467 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 175 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | I202 S203 L204 F209 K210 | I202-V206 WeakPolarHBondContact O-CG2 3.44Å; I202-V206 PolarHBondContact O-N 3.49Å; S203-V206 PolarHBondContact O-N 2.84Å; L204-V206 PolarHBondContact O-N 3.48Å; V206-F209 PolarHBondContact O-N 3.41Å; V206-K210 HydrophobicContact CG1-CG 4.3Å; V206-K210 WeakPolarHBondContact O-CB 3.33Å; V206-K210 WeakPolarHBondContact O-CG 3.44Å; V206-K210 PolarHBondContact O-N 3.45Å |
| 207 | C | 90.2 | Very high | 88.3 | Confident | 10 Ų | 10 | 49.5 Ų | 49.5 | 7% | 0.068 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62 | -47.4 | 178.2 | -70.3 | 0 | 0 | 0 | 0 | 112.4 | F123 T124 S203 L204 A205 K210 I211 | F123-C207 HydrophobicContact CB-CB 4.38Å; T124-C207 PolarHBondContact OG1-SG 3.2Å; T124-C207 VanDerWaalsContact OG1-SG 3.36Å; S203-C207 WeakPolarHBondContact O-CB 3.27Å; S203-C207 PolarHBondContact O-N 2.93Å; S203-C207 PolarHBondContact O-SG 3.36Å; L204-C207 PolarHBondContact O-N 2.88Å; A205-C207 PolarHBondContact O-N 3.26Å; C207-K210 PolarHBondContact O-N 3.35Å; C207-I211 WeakPolarHBondContact O-CB 3.44Å; C207-I211 WeakPolarHBondContact O-CD1 3.35Å; C207-I211 VanDerWaalsContact O-CG1 3.24Å; C207-I211 WeakPolarHBondContact O-CG1 3.41Å; C207-I211 PolarHBondContact O-N 3.32Å |
| 208 | I | 90.4 | Very high | 87.7 | Confident | 11 Ų | 11 | 51.2 Ų | 51.2 | 6% | 0.056 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 178.3 | -69.9 | 167.2 | 0 | 0 | 0 | 110.8 | F123 L204 A205 K210 I211 A212 T232 I239 | F123-I208 HydrophobicContact CD2-CG1 4.32Å; F123-I208 HydrophobicContact CE2-CD1 4.37Å; F123-I208 HydrophobicContact CE2-CG1 4.37Å; F123-I208 HydrophobicContact CG-CG1 4.46Å; L204-I208 HydrophobicContact CD1-CD1 3.88Å; L204-I208 HydrophobicContact CD1-CG1 4.19Å; L204-I208 HydrophobicContact CG-CD1 3.82Å; L204-I208 WeakPolarHBondContact O-CG1 3.5Å; L204-I208 PolarHBondContact O-N 3.43Å; A205-I208 PolarHBondContact O-N 2.83Å; I208-K210 VanDerWaalsContact C-N 3.35Å; I208-K210 PolarHBondContact O-N 2.95Å; I208-I211 PolarHBondContact O-N 2.83Å; I208-I211 VanDerWaalsContact O-N 3.15Å; I208-A212 PolarHBondContact O-N 3.48Å; I208-T232 HydrophobicContact CG2-CG2 3.8Å; I208-I239 HydrophobicContact CD1-CD1 3.92Å |
| 209 | F | 88.9 | Confident | 86.9 | Confident | 125 Ų | 125 | 53.9 Ų | 53.9 | 55% | 0.548 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61 | -41.5 | 177.2 | 178.3 | -101.5 | 0 | 0 | 0 | 112.4 | A205 V206 K213 | A205-F209 VanDerWaalsContact O-CB 3.3Å; A205-F209 WeakPolarHBondContact O-CB 3.43Å; A205-F209 PolarHBondContact O-N 3.34Å; V206-F209 PolarHBondContact O-N 3.41Å; F209-K213 HydrophobicContact CE1-CD 4.03Å; F209-K213 HydrophobicContact CE2-CD 4.17Å; F209-K213 HydrophobicContact CZ-CD 3.76Å; F209-K213 PolarHBondContact O-N 3Å |
| 210 | K | 88.5 | Confident | 86 | Confident | 102 Ų | 102 | 51.5 Ų | 51.5 | 44% | 0.443 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.8 | -38 | 174.8 | -67.3 | -69.5 | -178.6 | -175.8 | 0 | 111.6 | M127 V206 C207 I208 M214 | M127-K210 HydrophobicContact SD-CB 3.75Å; M127-K210 HydrophobicContact SD-CG 4.4Å; V206-K210 HydrophobicContact CG1-CG 4.3Å; V206-K210 WeakPolarHBondContact O-CB 3.33Å; V206-K210 WeakPolarHBondContact O-CG 3.44Å; V206-K210 PolarHBondContact O-N 3.45Å; C207-K210 PolarHBondContact O-N 3.35Å; I208-K210 VanDerWaalsContact C-N 3.35Å; I208-K210 PolarHBondContact O-N 2.95Å; K210-M214 HydrophobicContact CB-CE 4Å; K210-M214 WeakPolarHBondContact O-CE 3.24Å; K210-M214 VanDerWaalsContact O-CG 3.25Å; K210-M214 WeakPolarHBondContact O-CG 3.12Å |
| 211 | I | 86.1 | Confident | 85.1 | Confident | 4 Ų | 4 | 51.3 Ų | 51.3 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.9 | -50.4 | 177.2 | -73.8 | 166.2 | 0 | 0 | 0 | 111.4 | F123 V126 M127 C207 I208 K213 M214 A217 N218 L221 | F123-I211 HydrophobicContact CB-CD1 3.72Å; F123-I211 HydrophobicContact CD1-CD1 3.7Å; F123-I211 HydrophobicContact CG-CD1 4.14Å; F123-I211 WeakPolarHBondContact O-CD1 3.3Å; V126-I211 HydrophobicContact CB-CD1 4.43Å; V126-I211 HydrophobicContact CG1-CD1 4.5Å; M127-I211 HydrophobicContact CB-CD1 4.39Å; M127-I211 HydrophobicContact CB-CG1 4Å; C207-I211 WeakPolarHBondContact O-CB 3.44Å; C207-I211 WeakPolarHBondContact O-CD1 3.35Å; C207-I211 VanDerWaalsContact O-CG1 3.24Å; C207-I211 WeakPolarHBondContact O-CG1 3.41Å; C207-I211 PolarHBondContact O-N 3.32Å; I208-I211 PolarHBondContact O-N 2.83Å; I208-I211 VanDerWaalsContact O-N 3.15Å; I211-K213 PolarHBondContact O-N 3.42Å; I211-K213 VanDerWaalsContact O-N 3.13Å; I211-M214 PolarHBondContact O-N 3.07Å; I211-A217 HydrophobicContact CG2-CB 4.02Å; I211-N218 PolarHBondContact O-OD1 3.31Å; I211-N218 VanDerWaalsContact O-OD1 3.13Å; I211-L221 HydrophobicContact CG2-CD1 3.82Å |
| 212 | A | 85.4 | Confident | 84.3 | Confident | 38 Ų | 38 | 57.9 Ų | 57.9 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -57.1 | -32.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | I208 N218 V228 | I208-A212 PolarHBondContact O-N 3.48Å; A212-N218 PolarHBondContact O-ND2 2.9Å; A212-V228 HydrophobicContact CB-CG1 4.34Å |
| 213 | K | 85.4 | Confident | 83.2 | Confident | 161 Ų | 161 | 57.5 Ų | 57.5 | 70% | 0.7 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -1.9 | 175.2 | -63.1 | -166.1 | 70 | 162.5 | 0 | 114.9 | F209 I211 | F209-K213 HydrophobicContact CE1-CD 4.03Å; F209-K213 HydrophobicContact CE2-CD 4.17Å; F209-K213 HydrophobicContact CZ-CD 3.76Å; F209-K213 PolarHBondContact O-N 3Å; I211-K213 PolarHBondContact O-N 3.42Å; I211-K213 VanDerWaalsContact O-N 3.13Å |
| 214 | M | 82.1 | Confident | 82 | Confident | 38 Ų | 38 | 61.6 Ų | 61.6 | 19% | 0.187 | 33% | 0.33 | C | S | . | . | trans | -110.1 | 100.5 | -179 | -73.6 | 177.3 | -154.5 | 0 | 0 | 111.6 | M127 K131 K210 I211 S216 A217 N218 | M127-M214 HydrophobicContact CG-CE 4.35Å; M127-M214 HydrophobicContact CG-SD 4.12Å; M127-M214 HydrophobicContact SD-CE 4.28Å; K131-M214 HydrophobicContact CG-SD 4.31Å; K210-M214 HydrophobicContact CB-CE 4Å; K210-M214 WeakPolarHBondContact O-CE 3.24Å; K210-M214 VanDerWaalsContact O-CG 3.25Å; K210-M214 WeakPolarHBondContact O-CG 3.12Å; I211-M214 PolarHBondContact O-N 3.07Å; M214-S216 PolarHBondContact O-N 3.12Å; M214-S216 VanDerWaalsContact O-N 3.1Å; M214-A217 HydrophobicContact CB-CB 3.92Å; M214-A217 WeakPolarHBondContact O-CA 3.35Å; M214-A217 WeakPolarHBondContact O-CB 3.4Å; M214-A217 PolarHBondContact O-N 3.25Å; M214-N218 PolarHBondContact O-N 3.41Å; M214-N218 PolarHBondContact O-OD1 3.4Å | ||
| 215 | S | 76.9 | Confident | 80.9 | Confident | 92 Ų | 92 | 63.4 Ų | 63.4 | 64% | 0.643 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -50.4 | -37.2 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 113.8 | A217 N218 V219 | S215-A217 VanDerWaalsContact C-N 3.35Å; S215-A217 PolarHBondContact O-N 3Å; S215-N218 WeakPolarHBondContact O-CB 3.45Å; S215-N218 PolarHBondContact O-N 3.32Å; S215-V219 PolarHBondContact O-N 2.76Å; S215-V219 VanDerWaalsContact O-N 3.15Å |
| 216 | S | 74.7 | Confident | 80.1 | Confident | 48 Ų | 48 | 62.1 Ų | 62.1 | 34% | 0.336 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.9 | -25.4 | 175.8 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | A130 M214 | A130-S216 PolarHBondContact O-OG 2.93Å; M214-S216 PolarHBondContact O-N 3.12Å; M214-S216 VanDerWaalsContact O-N 3.1Å |
| 217 | A | 74.8 | Confident | 79.6 | Confident | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -79.3 | -34.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V126 A130 I211 M214 S215 Y220 L221 | V126-A217 HydrophobicContact CG1-CB 4.43Å; A130-A217 HydrophobicContact CB-CB 3.65Å; I211-A217 HydrophobicContact CG2-CB 4.02Å; M214-A217 HydrophobicContact CB-CB 3.92Å; M214-A217 WeakPolarHBondContact O-CA 3.35Å; M214-A217 WeakPolarHBondContact O-CB 3.4Å; M214-A217 PolarHBondContact O-N 3.25Å; S215-A217 VanDerWaalsContact C-N 3.35Å; S215-A217 PolarHBondContact O-N 3Å; A217-Y220 WeakPolarHBondContact O-CB 3.25Å; A217-Y220 PolarHBondContact O-N 3.37Å; A217-L221 PolarHBondContact O-N 3.36Å |
| 218 | N | 79.2 | Confident | 79.1 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 21% | 0.209 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.2 | -51.8 | 178.3 | -65.6 | -4.8 | 0 | 0 | 0 | 111.4 | I211 A212 M214 S215 Y220 L221 E222 V228 | I211-N218 PolarHBondContact O-OD1 3.31Å; I211-N218 VanDerWaalsContact O-OD1 3.13Å; A212-N218 PolarHBondContact O-ND2 2.9Å; M214-N218 PolarHBondContact O-N 3.41Å; M214-N218 PolarHBondContact O-OD1 3.4Å; S215-N218 WeakPolarHBondContact O-CB 3.45Å; S215-N218 PolarHBondContact O-N 3.32Å; N218-Y220 VanDerWaalsContact C-N 3.25Å; N218-Y220 PolarHBondContact O-N 2.85Å; N218-L221 PolarHBondContact O-N 3.13Å; N218-L221 VanDerWaalsContact O-N 3.16Å; N218-E222 WeakPolarHBondContact O-CB 3.34Å; N218-E222 PolarHBondContact O-N 3.27Å; N218-V228 VanDerWaalsContact CA-CG2 3.48Å; N218-V228 HydrophobicContact CB-CG2 3.53Å; N218-V228 WeakPolarHBondContact OD1-CG1 3.06Å; N218-V228 WeakPolarHBondContact OD1-CG2 3.12Å |
| 219 | V | 75.3 | Confident | 78.7 | Confident | 86 Ų | 86 | 66.5 Ų | 66.5 | 52% | 0.521 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.8 | -30.6 | 175.4 | 177.6 | 0 | 0 | 0 | 0 | 112.6 | S215 S223 | S215-V219 PolarHBondContact O-N 2.76Å; S215-V219 VanDerWaalsContact O-N 3.15Å; V219-S223 WeakPolarHBondContact O-CB 3.24Å; V219-S223 PolarHBondContact O-N 3.45Å; V219-S223 PolarHBondContact O-OG 2.97Å |
| 220 | Y | 74.3 | Confident | 78.6 | Confident | 64 Ų | 64 | 64.3 Ų | 64.3 | 25% | 0.251 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -70.8 | -36.6 | 176.1 | 178.8 | -83.2 | 0 | 0 | 0 | 112.7 | V126 K129 A217 N218 S223 K224 | V126-Y220 HydrophobicContact CG1-CD1 3.78Å; V126-Y220 HydrophobicContact CG1-CE1 4.28Å; V126-Y220 HydrophobicContact CG2-CD1 4.24Å; V126-Y220 HydrophobicContact CG2-CE1 3.91Å; K129-Y220 HydrophobicContact CD-CE2 3.76Å; K129-Y220 PolarHBondContact NZ-OH 2.94Å; A217-Y220 WeakPolarHBondContact O-CB 3.25Å; A217-Y220 PolarHBondContact O-N 3.37Å; N218-Y220 VanDerWaalsContact C-N 3.25Å; N218-Y220 PolarHBondContact O-N 2.85Å; Y220-S223 WeakPolarHBondContact CA-OG 3.48Å; Y220-S223 PolarHBondContact O-OG 3.13Å; Y220-S223 VanDerWaalsContact O-OG 3.14Å; Y220-K224 HydrophobicContact CE1-CG 4.32Å; Y220-K224 WeakPolarHBondContact O-CG 3.28Å; Y220-K224 PolarHBondContact O-N 3.19Å |
| 221 | L | 75.8 | Confident | 78.5 | Confident | 1 Ų | 1 | 59.6 Ų | 59.6 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -72.6 | -41.8 | 174.5 | -71 | 173.5 | 0 | 0 | 0 | 111.3 | V126 I211 A217 N218 S223 K224 G225 T226 V228 A231 | V126-L221 HydrophobicContact CG1-CD2 4.19Å; V126-L221 HydrophobicContact CG1-CG 4.2Å; V126-L221 HydrophobicContact CG2-CD2 4.36Å; I211-L221 HydrophobicContact CG2-CD1 3.82Å; A217-L221 PolarHBondContact O-N 3.36Å; N218-L221 PolarHBondContact O-N 3.13Å; N218-L221 VanDerWaalsContact O-N 3.16Å; L221-S223 PolarHBondContact O-N 2.86Å; L221-K224 CarbonylContact O-C 3.44Å; L221-K224 VanDerWaalsContact O-CA 3.31Å; L221-K224 WeakPolarHBondContact O-CA 3.47Å; L221-K224 WeakPolarHBondContact O-CB 3.48Å; L221-K224 PolarHBondContact O-N 3.03Å; L221-G225 PolarHBondContact O-N 3.38Å; L221-T226 CarbonylContact C-O 3.52Å; L221-T226 PolarHBondContact O-N 3.03Å; L221-T226 PolarHBondContact O-OG1 2.97Å; L221-V228 HydrophobicContact CD1-CG2 4.42Å; L221-A231 HydrophobicContact CD1-CB 4.31Å |
| 222 | E | 77.5 | Confident | 78.6 | Confident | 139 Ų | 139 | 61.5 Ų | 61.5 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -60.4 | -45.5 | 176.9 | -171.5 | 168 | -154.2 | 0 | 0 | 111.9 | N218 K224 G225 T226 | N218-E222 WeakPolarHBondContact O-CB 3.34Å; N218-E222 PolarHBondContact O-N 3.27Å; E222-K224 PolarHBondContact O-N 3.02Å; E222-G225 PolarHBondContact O-N 3.5Å; E222-T226 PolarHBondContact N-O 2.86Å |
| 223 | S | 69.9 | Low | 78.8 | Confident | 87 Ų | 87 | 62 Ų | 62 | 61% | 0.608 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | 0.3 | 171.1 | 60.5 | 0 | 0 | 0 | 0 | 114.9 | V219 Y220 L221 | V219-S223 WeakPolarHBondContact O-CB 3.24Å; V219-S223 PolarHBondContact O-N 3.45Å; V219-S223 PolarHBondContact O-OG 2.97Å; Y220-S223 WeakPolarHBondContact CA-OG 3.48Å; Y220-S223 PolarHBondContact O-OG 3.13Å; Y220-S223 VanDerWaalsContact O-OG 3.14Å; L221-S223 PolarHBondContact O-N 2.86Å |
| 224 | K | 69.2 | Low | 79 | Confident | 132 Ų | 132 | 55.7 Ų | 55.7 | 57% | 0.574 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 4.2 | 168.6 | -75 | -74.4 | 156.6 | -152.5 | 0 | 113.6 | Y220 L221 E222 | Y220-K224 HydrophobicContact CE1-CG 4.32Å; Y220-K224 WeakPolarHBondContact O-CG 3.28Å; Y220-K224 PolarHBondContact O-N 3.19Å; L221-K224 CarbonylContact O-C 3.44Å; L221-K224 VanDerWaalsContact O-CA 3.31Å; L221-K224 WeakPolarHBondContact O-CA 3.47Å; L221-K224 WeakPolarHBondContact O-CB 3.48Å; L221-K224 PolarHBondContact O-N 3.03Å; E222-K224 PolarHBondContact O-N 3.02Å |
| 225 | G | 68.8 | Low | 79.4 | Confident | 39 Ų | 39 | 54 Ų | 54 | 40% | 0.402 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 21.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L221 E222 Q310 | L221-G225 PolarHBondContact O-N 3.38Å; E222-G225 PolarHBondContact O-N 3.5Å; G225-Q310 PolarHBondContact O-NE2 3.14Å |
| 226 | T | 76.7 | Confident | 80 | Confident | 11 Ų | 11 | 51.5 Ų | 51.5 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | trans | -126.7 | 122.5 | 174.9 | 51 | 0 | 0 | 0 | 0 | 110.3 | L221 E222 F306 | L221-T226 CarbonylContact C-O 3.52Å; L221-T226 PolarHBondContact O-N 3.03Å; L221-T226 PolarHBondContact O-OG1 2.97Å; E222-T226 PolarHBondContact N-O 2.86Å; T226-F306 HydrophobicContact CG2-CD2 4.43Å; T226-F306 HydrophobicContact CG2-CE2 3.93Å; T226-F306 HydrophobicContact CG2-CZ 4.29Å | ||
| 227 | S | 81.6 | Confident | 80.9 | Confident | 61 Ų | 61 | 52 Ų | 52 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | trans | -73.7 | 150.2 | 177.3 | 84.4 | 0 | 0 | 0 | 0 | 110.7 | C229 Q230 A231 | S227-C229 VanDerWaalsContact C-N 3.3Å; S227-C229 PolarHBondContact O-N 2.88Å; S227-Q230 WeakPolarHBondContact O-CB 3.49Å; S227-Q230 PolarHBondContact O-N 2.95Å; S227-Q230 VanDerWaalsContact OG-CB 3.25Å; S227-Q230 WeakPolarHBondContact OG-CB 3.5Å; S227-Q230 PolarHBondContact OG-N 3.4Å; S227-Q230 VanDerWaalsContact OG-N 3.13Å; S227-A231 PolarHBondContact O-N 2.94Å | ||
| 228 | V | 80.3 | Confident | 81.7 | Confident | 29 Ų | 29 | 52.1 Ų | 52.1 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64 | -38.8 | -179.8 | -177.3 | 0 | 0 | 0 | 0 | 111.4 | A212 N218 L221 A231 T232 | A212-V228 HydrophobicContact CB-CG1 4.34Å; N218-V228 VanDerWaalsContact CA-CG2 3.48Å; N218-V228 HydrophobicContact CB-CG2 3.53Å; N218-V228 WeakPolarHBondContact OD1-CG1 3.06Å; N218-V228 WeakPolarHBondContact OD1-CG2 3.12Å; L221-V228 HydrophobicContact CD1-CG2 4.42Å; V228-A231 PolarHBondContact O-N 3.42Å; V228-T232 VanDerWaalsContact O-CB 3.23Å; V228-T232 WeakPolarHBondContact O-CB 3.31Å; V228-T232 PolarHBondContact O-N 3.04Å; V228-T232 PolarHBondContact O-OG1 3.41Å |
| 229 | C | 81.9 | Confident | 82.3 | Confident | 101 Ų | 101 | 51.3 Ų | 51.3 | 68% | 0.682 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -60.5 | -46.2 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | S227 T232 A233 | S227-C229 VanDerWaalsContact C-N 3.3Å; S227-C229 PolarHBondContact O-N 2.88Å; C229-T232 PolarHBondContact O-N 3.15Å; C229-A233 VanDerWaalsContact O-CB 3.23Å; C229-A233 WeakPolarHBondContact O-CB 3.18Å; C229-A233 PolarHBondContact O-N 2.83Å |
| 230 | Q | 85.8 | Confident | 83.1 | Confident | 78 Ų | 78 | 52.9 Ų | 52.9 | 36% | 0.364 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 176 | -176 | -174.1 | 15.7 | 0 | 0 | 112.2 | S227 T232 A233 V234 | S227-Q230 WeakPolarHBondContact O-CB 3.49Å; S227-Q230 PolarHBondContact O-N 2.95Å; S227-Q230 VanDerWaalsContact OG-CB 3.25Å; S227-Q230 WeakPolarHBondContact OG-CB 3.5Å; S227-Q230 PolarHBondContact OG-N 3.4Å; S227-Q230 VanDerWaalsContact OG-N 3.13Å; Q230-T232 VanDerWaalsContact C-N 3.35Å; Q230-T232 PolarHBondContact O-N 3.18Å; Q230-A233 PolarHBondContact O-N 3.36Å; Q230-V234 HydrophobicContact CG-CG2 4.48Å; Q230-V234 WeakPolarHBondContact O-CB 3.43Å; Q230-V234 WeakPolarHBondContact O-CG2 3.49Å; Q230-V234 PolarHBondContact O-N 2.94Å |
| 231 | A | 86.3 | Confident | 84 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.025 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.5 | -39.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F123 L221 S227 V228 G235 F306 | F123-A231 HydrophobicContact CE1-CB 4.3Å; F123-A231 HydrophobicContact CZ-CB 4.46Å; L221-A231 HydrophobicContact CD1-CB 4.31Å; S227-A231 PolarHBondContact O-N 2.94Å; V228-A231 PolarHBondContact O-N 3.42Å; A231-G235 PolarHBondContact O-N 3.44Å; A231-F306 HydrophobicContact CB-CE2 3.71Å; A231-F306 HydrophobicContact CB-CZ 3.92Å |
| 232 | T | 88.1 | Confident | 84.6 | Confident | 44 Ų | 44 | 51 Ų | 51 | 27% | 0.27 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 176.1 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | I208 V228 C229 Q230 A236 | I208-T232 HydrophobicContact CG2-CG2 3.8Å; V228-T232 VanDerWaalsContact O-CB 3.23Å; V228-T232 WeakPolarHBondContact O-CB 3.31Å; V228-T232 PolarHBondContact O-N 3.04Å; V228-T232 PolarHBondContact O-OG1 3.41Å; C229-T232 PolarHBondContact O-N 3.15Å; Q230-T232 VanDerWaalsContact C-N 3.35Å; Q230-T232 PolarHBondContact O-N 3.18Å; T232-A236 WeakPolarHBondContact O-CB 3.42Å; T232-A236 PolarHBondContact O-N 3.25Å |
| 233 | A | 90 | Very high | 85.1 | Confident | 50 Ų | 50 | 46.2 Ų | 46.2 | 41% | 0.413 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.4 | -50 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | C229 Q230 G235 A236 V237 | C229-A233 VanDerWaalsContact O-CB 3.23Å; C229-A233 WeakPolarHBondContact O-CB 3.18Å; C229-A233 PolarHBondContact O-N 2.83Å; Q230-A233 PolarHBondContact O-N 3.36Å; A233-G235 VanDerWaalsContact C-N 3.35Å; A233-G235 PolarHBondContact O-N 3.23Å; A233-A236 PolarHBondContact O-N 2.88Å; A233-V237 WeakPolarHBondContact O-CG2 3.32Å; A233-V237 PolarHBondContact O-N 2.95Å |
| 234 | V | 90.1 | Very high | 86.1 | Confident | 27 Ų | 27 | 44.4 Ų | 44.4 | 16% | 0.164 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 176.3 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | Q230 A236 V237 V238 L302 F306 | Q230-V234 HydrophobicContact CG-CG2 4.48Å; Q230-V234 WeakPolarHBondContact O-CB 3.43Å; Q230-V234 WeakPolarHBondContact O-CG2 3.49Å; Q230-V234 PolarHBondContact O-N 2.94Å; V234-A236 PolarHBondContact O-N 3.1Å; V234-V237 PolarHBondContact O-N 3.19Å; V234-V238 HydrophobicContact CG1-CG2 4.39Å; V234-V238 WeakPolarHBondContact O-CB 3.4Å; V234-V238 VanDerWaalsContact O-CG2 3.27Å; V234-V238 WeakPolarHBondContact O-CG2 3.46Å; V234-V238 PolarHBondContact O-N 3.45Å; V234-L302 HydrophobicContact CG1-CB 4.26Å; V234-F306 HydrophobicContact CG1-CB 4.17Å; V234-F306 HydrophobicContact CG1-CG 4.45Å |
| 235 | G | 89.4 | Confident | 86.9 | Confident | 2 Ų | 2 | 38.7 Ų | 38.7 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | A231 A233 V238 I239 | A231-G235 PolarHBondContact O-N 3.44Å; A233-G235 VanDerWaalsContact C-N 3.35Å; A233-G235 PolarHBondContact O-N 3.23Å; G235-V238 PolarHBondContact O-N 3.44Å; G235-I239 WeakPolarHBondContact O-CB 3.34Å; G235-I239 WeakPolarHBondContact O-CD1 3.41Å; G235-I239 VanDerWaalsContact O-CG1 3.22Å; G235-I239 WeakPolarHBondContact O-CG1 3.46Å; G235-I239 PolarHBondContact O-N 2.97Å |
| 236 | A | 91.6 | Very high | 87.7 | Confident | 40 Ų | 40 | 36.8 Ų | 36.8 | 33% | 0.331 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.6 | -43.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | T232 A233 V234 I239 L240 | T232-A236 WeakPolarHBondContact O-CB 3.42Å; T232-A236 PolarHBondContact O-N 3.25Å; A233-A236 PolarHBondContact O-N 2.88Å; V234-A236 PolarHBondContact O-N 3.1Å; A236-I239 PolarHBondContact O-N 2.78Å; A236-L240 WeakPolarHBondContact O-CB 3.33Å; A236-L240 VanDerWaalsContact O-CG 3.3Å; A236-L240 WeakPolarHBondContact O-CG 3.35Å; A236-L240 PolarHBondContact O-N 3.1Å |
| 237 | V | 93.3 | Very high | 88 | Confident | 60 Ų | 60 | 39.1 Ų | 39.1 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63 | -43.9 | 174.2 | 174.8 | 0 | 0 | 0 | 0 | 110.6 | A233 V234 I239 L240 L241 L302 | A233-V237 WeakPolarHBondContact O-CG2 3.32Å; A233-V237 PolarHBondContact O-N 2.95Å; V234-V237 PolarHBondContact O-N 3.19Å; V237-I239 PolarHBondContact O-N 3.49Å; V237-L240 PolarHBondContact O-N 3Å; V237-L241 HydrophobicContact CG1-CD1 3.79Å; V237-L241 HydrophobicContact CG1-CG 4.25Å; V237-L241 VanDerWaalsContact O-CG 3.29Å; V237-L241 WeakPolarHBondContact O-CG 3.46Å; V237-L241 PolarHBondContact O-N 3.02Å; V237-L302 HydrophobicContact CB-CD1 4.25Å; V237-L302 HydrophobicContact CG1-CD1 3.54Å |
| 238 | V | 91.4 | Very high | 88.1 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.9 | -40.8 | 176.5 | 169.4 | 0 | 0 | 0 | 0 | 111.9 | L119 V234 G235 Y242 L302 V303 | L119-V238 HydrophobicContact CD2-CG1 3.93Å; V234-V238 HydrophobicContact CG1-CG2 4.39Å; V234-V238 WeakPolarHBondContact O-CB 3.4Å; V234-V238 VanDerWaalsContact O-CG2 3.27Å; V234-V238 WeakPolarHBondContact O-CG2 3.46Å; V234-V238 PolarHBondContact O-N 3.45Å; G235-V238 PolarHBondContact O-N 3.44Å; V238-Y242 HydrophobicContact CG1-CD2 3.69Å; V238-Y242 HydrophobicContact CG1-CE2 3.59Å; V238-Y242 VanDerWaalsContact O-CD2 3.24Å; V238-Y242 WeakPolarHBondContact O-CD2 3.44Å; V238-Y242 PolarHBondContact O-N 3.46Å; V238-Y242 VanDerWaalsContact O-N 3.15Å; V238-L302 HydrophobicContact CG2-CB 4.27Å; V238-L302 HydrophobicContact CG2-CD1 4.43Å; V238-V303 HydrophobicContact CG2-CG2 4.24Å |
| 239 | I | 91.9 | Very high | 88.2 | Confident | 23 Ų | 23 | 37.8 Ų | 37.8 | 12% | 0.118 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.6 | -51.8 | 171.9 | -73.2 | 157.1 | 0 | 0 | 0 | 110.6 | A201 L204 A205 I208 G235 A236 V237 L241 Y242 T243 | A201-I239 HydrophobicContact CB-CG2 4.34Å; L204-I239 HydrophobicContact CB-CD1 4.26Å; L204-I239 HydrophobicContact CB-CG1 4.18Å; L204-I239 HydrophobicContact CD2-CD1 4.31Å; L204-I239 HydrophobicContact CD2-CG1 3.83Å; L204-I239 HydrophobicContact CG-CD1 3.97Å; L204-I239 HydrophobicContact CG-CG1 3.99Å; A205-I239 HydrophobicContact CB-CD1 3.77Å; I208-I239 HydrophobicContact CD1-CD1 3.92Å; G235-I239 WeakPolarHBondContact O-CB 3.34Å; G235-I239 WeakPolarHBondContact O-CD1 3.41Å; G235-I239 VanDerWaalsContact O-CG1 3.22Å; G235-I239 WeakPolarHBondContact O-CG1 3.46Å; G235-I239 PolarHBondContact O-N 2.97Å; A236-I239 PolarHBondContact O-N 2.78Å; V237-I239 PolarHBondContact O-N 3.49Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 2.98Å; I239-Y242 PolarHBondContact O-N 2.86Å; I239-T243 VanDerWaalsContact O-CB 3.28Å; I239-T243 WeakPolarHBondContact O-CB 3.23Å; I239-T243 PolarHBondContact O-N 3.17Å; I239-T243 PolarHBondContact O-OG1 3.36Å |
| 240 | L | 92.3 | Very high | 88 | Confident | 118 Ų | 118 | 35.1 Ų | 35.1 | 62% | 0.618 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -61 | -41.9 | -176.9 | -73.4 | 169.4 | 0 | 0 | 0 | 111.9 | A236 V237 S244 | A236-L240 WeakPolarHBondContact O-CB 3.33Å; A236-L240 VanDerWaalsContact O-CG 3.3Å; A236-L240 WeakPolarHBondContact O-CG 3.35Å; A236-L240 PolarHBondContact O-N 3.1Å; V237-L240 PolarHBondContact O-N 3Å; L240-S244 VanDerWaalsContact O-CB 3.24Å; L240-S244 WeakPolarHBondContact O-CB 3.48Å; L240-S244 PolarHBondContact O-N 3.15Å; L240-S244 PolarHBondContact O-OG 3.27Å |
| 241 | L | 91.6 | Very high | 87.6 | Confident | 22 Ų | 22 | 34.8 Ų | 34.8 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.3 | -49.4 | 179.3 | -65.5 | 172.2 | 0 | 0 | 0 | 111.7 | V237 I239 T243 S244 R245 L298 P299 L302 | V237-L241 HydrophobicContact CG1-CD1 3.79Å; V237-L241 HydrophobicContact CG1-CG 4.25Å; V237-L241 VanDerWaalsContact O-CG 3.29Å; V237-L241 WeakPolarHBondContact O-CG 3.46Å; V237-L241 PolarHBondContact O-N 3.02Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 2.98Å; L241-T243 PolarHBondContact O-N 3.46Å; L241-S244 PolarHBondContact O-N 3.35Å; L241-S244 PolarHBondContact O-OG 2.88Å; L241-R245 PolarHBondContact O-N 3.49Å; L241-L298 HydrophobicContact CD1-CB 4.18Å; L241-L298 HydrophobicContact CD1-CD2 3.72Å; L241-L298 HydrophobicContact CD1-CG 3.76Å; L241-L298 HydrophobicContact CD2-CD2 4.37Å; L241-P299 HydrophobicContact CB-CG 3.86Å; L241-P299 HydrophobicContact CD1-CG 3.78Å; L241-P299 HydrophobicContact CG-CG 4.46Å; L241-L302 HydrophobicContact CD1-CD1 4.46Å |
| 242 | Y | 89.4 | Confident | 87 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -63.8 | -40.5 | 176.8 | -76 | -54.4 | 0 | 0 | 0 | 112.8 | Q112 L116 F197 V238 I239 A246 P299 | Q112-Y242 HydrophobicContact CB-CE1 4.16Å; L116-Y242 HydrophobicContact CB-CE2 4.32Å; L116-Y242 HydrophobicContact CD1-CD2 3.95Å; L116-Y242 HydrophobicContact CD1-CE2 4.19Å; L116-Y242 HydrophobicContact CD2-CD2 4.1Å; L116-Y242 HydrophobicContact CD2-CG 4.32Å; L116-Y242 HydrophobicContact CG-CD2 4.46Å; F197-Y242 AromaticContact CD1-CD1 3.91Å; F197-Y242 HydrophobicContact CD1-CD1 3.91Å; F197-Y242 HydrophobicContact CD1-CE1 4.49Å; F197-Y242 HydrophobicContact CD1-CG 4.25Å; F197-Y242 AromaticContact CE1-CD1 3.73Å; F197-Y242 HydrophobicContact CE1-CD1 3.73Å; F197-Y242 AromaticContact CE1-CE1 3.88Å; F197-Y242 HydrophobicContact CE1-CE1 3.88Å; F197-Y242 HydrophobicContact CE1-CG 4.41Å; V238-Y242 HydrophobicContact CG1-CD2 3.69Å; V238-Y242 HydrophobicContact CG1-CE2 3.59Å; V238-Y242 VanDerWaalsContact O-CD2 3.24Å; V238-Y242 WeakPolarHBondContact O-CD2 3.44Å; V238-Y242 PolarHBondContact O-N 3.46Å; V238-Y242 VanDerWaalsContact O-N 3.15Å; I239-Y242 PolarHBondContact O-N 2.86Å; Y242-A246 PolarHBondContact O-N 2.95Å; Y242-A246 VanDerWaalsContact O-N 3.14Å; Y242-P299 HydrophobicContact CE2-CB 4.25Å |
| 243 | T | 88.8 | Confident | 86.1 | Confident | 39 Ų | 39 | 34.4 Ų | 34.4 | 24% | 0.239 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66.2 | -38.7 | 175.6 | -59.1 | 0 | 0 | 0 | 0 | 111.3 | I239 L241 R245 A246 C247 | I239-T243 VanDerWaalsContact O-CB 3.28Å; I239-T243 WeakPolarHBondContact O-CB 3.23Å; I239-T243 PolarHBondContact O-N 3.17Å; I239-T243 PolarHBondContact O-OG1 3.36Å; L241-T243 PolarHBondContact O-N 3.46Å; T243-R245 PolarHBondContact O-N 3.28Å; T243-A246 PolarHBondContact O-N 3.19Å; T243-C247 VanDerWaalsContact O-CB 3.28Å; T243-C247 WeakPolarHBondContact O-CB 3.38Å; T243-C247 PolarHBondContact O-N 3.15Å; T243-C247 PolarHBondContact O-SG 3.06Å |
| 244 | S | 89.6 | Confident | 85.1 | Confident | 49 Ų | 49 | 35.9 Ų | 35.9 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63 | -41.8 | 178.9 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | L240 L241 Y248 W295 | L240-S244 VanDerWaalsContact O-CB 3.24Å; L240-S244 WeakPolarHBondContact O-CB 3.48Å; L240-S244 PolarHBondContact O-N 3.15Å; L240-S244 PolarHBondContact O-OG 3.27Å; L241-S244 PolarHBondContact O-N 3.35Å; L241-S244 PolarHBondContact O-OG 2.88Å; S244-Y248 WeakPolarHBondContact O-CB 3.45Å; S244-Y248 PolarHBondContact O-N 3.06Å; S244-W295 PolarHBondContact OG-NE1 3.22Å; S244-W295 VanDerWaalsContact OG-NE1 3.09Å |
| 245 | R | 86 | Confident | 84 | Confident | 11 Ų | 11 | 39.2 Ų | 39.2 | 4% | 0.042 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -59.4 | -52.7 | 172.8 | 176.3 | -177.4 | 179.4 | 158.2 | -1.7 | 111.5 | L241 T243 C247 Y248 N249 S272 W295 E296 | L241-R245 PolarHBondContact O-N 3.49Å; T243-R245 PolarHBondContact O-N 3.28Å; R245-C247 PolarHBondContact O-N 2.97Å; R245-Y248 PolarHBondContact O-N 3.14Å; R245-N249 PolarHBondContact O-N 3.43Å; R245-S272 PolarHBondContact NH2-OG 3.17Å; R245-W295 HydrophobicContact CB-CB 4.37Å; R245-W295 HydrophobicContact CB-CD2 3.64Å; R245-W295 HydrophobicContact CB-CE3 3.99Å; R245-W295 HydrophobicContact CB-CG 3.79Å; R245-W295 HydrophobicContact CG-CD2 3.9Å; R245-W295 HydrophobicContact CG-CE3 3.73Å; R245-W295 HydrophobicContact CG-CG 4.25Å; R245-W295 HydrophobicContact CG-CZ3 4.33Å; R245-E296 IonicContact NH1-OE1 3.27Å; R245-E296 IonicContact NH2-OE1 2.9Å |
| 246 | A | 85.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -63.8 | -42.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | D194 F197 V198 Y242 T243 N249 L250 | D194-A246 HydrophobicContact CB-CB 3.82Å; F197-A246 HydrophobicContact CB-CB 4.3Å; V198-A246 HydrophobicContact CG2-CB 3.62Å; Y242-A246 PolarHBondContact O-N 2.95Å; Y242-A246 VanDerWaalsContact O-N 3.14Å; T243-A246 PolarHBondContact O-N 3.19Å; A246-N249 PolarHBondContact O-N 3.18Å; A246-L250 VanDerWaalsContact O-CB 3.3Å; A246-L250 WeakPolarHBondContact O-CB 3.31Å; A246-L250 WeakPolarHBondContact O-CG 3.44Å; A246-L250 PolarHBondContact O-N 2.82Å |
| 247 | C | 83.4 | Confident | 80.5 | Confident | 59 Ų | 59 | 44.2 Ų | 44.2 | 40% | 0.399 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -63.8 | -39.7 | 174.9 | -72.3 | 0 | 0 | 0 | 0 | 112.6 | T243 R245 V251 | T243-C247 VanDerWaalsContact O-CB 3.28Å; T243-C247 WeakPolarHBondContact O-CB 3.38Å; T243-C247 PolarHBondContact O-N 3.15Å; T243-C247 PolarHBondContact O-SG 3.06Å; R245-C247 PolarHBondContact O-N 2.97Å; C247-V251 VanDerWaalsContact O-CB 3.31Å; C247-V251 WeakPolarHBondContact O-CB 3.32Å; C247-V251 WeakPolarHBondContact O-CG2 3.49Å; C247-V251 PolarHBondContact O-N 3.16Å |
| 248 | Y | 84 | Confident | 78.4 | Confident | 56 Ų | 56 | 49.4 Ų | 49.4 | 22% | 0.22 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.8 | -53.3 | 173.3 | 173.5 | -88 | 0 | 0 | 0 | 111.1 | S244 R245 L250 V251 V252 V271 W295 | S244-Y248 WeakPolarHBondContact O-CB 3.45Å; S244-Y248 PolarHBondContact O-N 3.06Å; R245-Y248 PolarHBondContact O-N 3.14Å; Y248-L250 PolarHBondContact O-N 2.94Å; Y248-V251 PolarHBondContact O-N 3.3Å; Y248-V252 HydrophobicContact CD1-CG2 4.2Å; Y248-V252 HydrophobicContact CE1-CG2 3.73Å; Y248-V252 HydrophobicContact CE2-CG2 4.11Å; Y248-V252 WeakPolarHBondContact O-CG2 2.99Å; Y248-V252 PolarHBondContact O-N 3.15Å; Y248-V271 HydrophobicContact CE1-CG2 3.95Å; Y248-W295 AromaticContact CD1-CH2 3.46Å; Y248-W295 HydrophobicContact CD1-CH2 3.46Å; Y248-W295 VanDerWaalsContact CD1-CH2 3.46Å; Y248-W295 HydrophobicContact CD1-CZ2 4.47Å; Y248-W295 HydrophobicContact CD1-CZ3 4.02Å; Y248-W295 HydrophobicContact CD2-CH2 4.12Å; Y248-W295 HydrophobicContact CE1-CH2 4.13Å; Y248-W295 AromaticContact CG-CH2 3.47Å; Y248-W295 HydrophobicContact CG-CH2 3.47Å; Y248-W295 VanDerWaalsContact CG-CH2 3.47Å; Y248-W295 HydrophobicContact CG-CZ2 4.08Å; Y248-W295 HydrophobicContact CG-CZ3 4.44Å |
| 249 | N | 81.6 | Confident | 76.2 | Confident | 6 Ų | 6 | 57 Ų | 57 | 3% | 0.032 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.1 | -47.2 | 179.7 | -72.3 | -4.2 | 0 | 0 | 0 | 111.6 | V190 D194 R245 A246 V251 V252 V253 | V190-N249 HydrophobicContact CG1-CB 4.12Å; D194-N249 PolarHBondContact OD1-ND2 3.33Å; D194-N249 WeakPolarHBondContact OD2-CB 3.35Å; D194-N249 PolarHBondContact OD2-ND2 3.18Å; R245-N249 PolarHBondContact O-N 3.43Å; A246-N249 PolarHBondContact O-N 3.18Å; N249-V251 VanDerWaalsContact C-N 3.33Å; N249-V251 PolarHBondContact O-N 2.94Å; N249-V252 PolarHBondContact O-N 3.02Å; N249-V253 WeakPolarHBondContact O-CB 3.49Å; N249-V253 WeakPolarHBondContact O-CG2 3.5Å; N249-V253 PolarHBondContact O-N 3.26Å |
| 250 | L | 78.8 | Confident | 73.7 | Confident | 45 Ų | 45 | 65.7 Ų | 65.7 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -62.5 | -37.1 | 178.2 | -70.6 | 170.6 | 0 | 0 | 0 | 112.4 | L191 D194 V198 A246 Y248 A254 | L191-L250 HydrophobicContact CD1-CD2 3.61Å; D194-L250 HydrophobicContact CB-CD1 4.41Å; D194-L250 HydrophobicContact CB-CD2 4.31Å; D194-L250 HydrophobicContact CB-CG 4.07Å; V198-L250 HydrophobicContact CG2-CD1 4.49Å; A246-L250 VanDerWaalsContact O-CB 3.3Å; A246-L250 WeakPolarHBondContact O-CB 3.31Å; A246-L250 WeakPolarHBondContact O-CG 3.44Å; A246-L250 PolarHBondContact O-N 2.82Å; Y248-L250 PolarHBondContact O-N 2.94Å; L250-A254 WeakPolarHBondContact O-CB 3.4Å; L250-A254 PolarHBondContact O-N 2.85Å |
| 251 | V | 77.6 | Confident | 71.4 | Confident | 72 Ų | 72 | 65.9 Ų | 65.9 | 44% | 0.436 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 174.4 | 166.4 | 0 | 0 | 0 | 0 | 111.2 | C247 Y248 N249 A254 L255 | C247-V251 VanDerWaalsContact O-CB 3.31Å; C247-V251 WeakPolarHBondContact O-CB 3.32Å; C247-V251 WeakPolarHBondContact O-CG2 3.49Å; C247-V251 PolarHBondContact O-N 3.16Å; Y248-V251 PolarHBondContact O-N 3.3Å; N249-V251 VanDerWaalsContact C-N 3.33Å; N249-V251 PolarHBondContact O-N 2.94Å; V251-A254 PolarHBondContact O-N 3.1Å; V251-L255 HydrophobicContact CG1-CD1 3.62Å; V251-L255 HydrophobicContact CG1-CG 4.2Å; V251-L255 VanDerWaalsContact O-CB 3.26Å; V251-L255 WeakPolarHBondContact O-CB 3.45Å; V251-L255 VanDerWaalsContact O-CG 3.29Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 3.23Å |
| 252 | V | 72 | Confident | 69.1 | Low | 7 Ų | 7 | 66.2 Ų | 66.2 | 4% | 0.042 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -64 | -41.9 | 175.6 | 176 | 0 | 0 | 0 | 0 | 111.2 | Y248 N249 S256 | Y248-V252 HydrophobicContact CD1-CG2 4.2Å; Y248-V252 HydrophobicContact CE1-CG2 3.73Å; Y248-V252 HydrophobicContact CE2-CG2 4.11Å; Y248-V252 WeakPolarHBondContact O-CG2 2.99Å; Y248-V252 PolarHBondContact O-N 3.15Å; N249-V252 PolarHBondContact O-N 3.02Å; V252-S256 WeakPolarHBondContact O-CB 3.39Å; V252-S256 PolarHBondContact O-N 3.44Å |
| 253 | V | 70.8 | Confident | 66.6 | Low | 31 Ų | 31 | 69.8 Ų | 69.8 | 19% | 0.188 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64 | -44.2 | 175.2 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | L187 V190 N249 S256 | L187-V253 HydrophobicContact CD2-CG1 4.26Å; L187-V253 HydrophobicContact CD2-CG2 3.94Å; V190-V253 HydrophobicContact CG1-CG2 3.88Å; N249-V253 WeakPolarHBondContact O-CB 3.49Å; N249-V253 WeakPolarHBondContact O-CG2 3.5Å; N249-V253 PolarHBondContact O-N 3.26Å; V253-S256 PolarHBondContact O-N 2.95Å |
| 254 | A | 68.4 | Low | 64.5 | Low | 81 Ų | 81 | 73 Ų | 73 | 67% | 0.669 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -71.9 | -30.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | L250 V251 S256 | L250-A254 WeakPolarHBondContact O-CB 3.4Å; L250-A254 PolarHBondContact O-N 2.85Å; V251-A254 PolarHBondContact O-N 3.1Å; A254-S256 VanDerWaalsContact C-N 3.34Å |
| 255 | L | 67.6 | Low | 62.2 | Low | 97 Ų | 97 | 76.5 Ų | 76.5 | 51% | 0.508 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 13.3 | 176.6 | -61.9 | -179.8 | 0 | 0 | 0 | 113.5 | V251 P257 P263 | V251-L255 HydrophobicContact CG1-CD1 3.62Å; V251-L255 HydrophobicContact CG1-CG 4.2Å; V251-L255 VanDerWaalsContact O-CB 3.26Å; V251-L255 WeakPolarHBondContact O-CB 3.45Å; V251-L255 VanDerWaalsContact O-CG 3.29Å; V251-L255 WeakPolarHBondContact O-CG 3.3Å; V251-L255 PolarHBondContact O-N 3.23Å; L255-P257 WeakPolarHBondContact O-CD 3.42Å; L255-P263 HydrophobicContact CB-CG 4Å; L255-P263 HydrophobicContact CD1-CG 4.25Å |
| 256 | S | 56.1 | Low | 60.4 | Low | 58 Ų | 58 | 79.9 Ų | 79.9 | 41% | 0.406 | 44% | 0.442 | S | S | . | . | trans | -114.1 | 60.3 | 175.3 | -179.1 | 0 | 0 | 0 | 0 | 112.3 | V252 V253 A254 | V252-S256 WeakPolarHBondContact O-CB 3.39Å; V252-S256 PolarHBondContact O-N 3.44Å; V253-S256 PolarHBondContact O-N 2.95Å; A254-S256 VanDerWaalsContact C-N 3.34Å | ||
| 257 | P | 49.5 | Very low | 58.5 | Low | 89 Ų | 89 | 81.4 Ų | 81.4 | 58% | 0.578 | 46% | 0.457 | S | S | * | . | trans | -63.5 | 165.7 | 165.5 | 33 | -35.6 | 0 | 0 | 0 | 110.5 | L255 | L255-P257 WeakPolarHBondContact O-CD 3.42Š| ||
| 258 | Q | 51 | Low | 57.1 | Low | 169 Ų | 169 | 79.3 Ų | 79.3 | 79% | 0.79 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 142.1 | -174 | -71.9 | 157 | -54.1 | 0 | 0 | 113 | R260 | Q258-R260 PolarHBondContact O-N 3.08Š|
| 259 | D | 44.7 | Very low | 55.4 | Low | 160 Ų | 160 | 79.5 Ų | 79.5 | 86% | 0.856 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.5 | 34.9 | 168.4 | -51.1 | -37.2 | 0 | 0 | 0 | 117.9 | ||
| 260 | R | 39.4 | Very low | 54 | Low | 207 Ų | 207 | 79.9 Ų | 79.9 | 78% | 0.781 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -131 | 147.9 | 156.8 | -76.2 | -169.7 | 169.2 | -178 | -3.7 | 113 | Q258 | Q258-R260 PolarHBondContact O-N 3.08Š|
| 261 | P | 42.7 | Very low | 52.6 | Low | 122 Ų | 122 | 77.9 Ų | 77.9 | 79% | 0.792 | 44% | 0.435 | S | S | * | . | trans | -62.5 | 151.9 | 166.4 | 29.4 | -34.9 | 0 | 0 | 0 | 110.1 | ||||
| 262 | S | 43.3 | Very low | 51.2 | Low | 28 Ų | 28 | 74.8 Ų | 74.8 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | trans | -57.2 | 146.2 | -178.3 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | F264 G267 | S262-F264 CarbonylContact O-C 3.48Å; S262-F264 PolarHBondContact O-N 3.44Å; S262-F264 VanDerWaalsContact O-O 3.13Å; S262-F264 PolarHBondContact OG-O 2.79Å; S262-G267 VanDerWaalsContact OG-CA 3.25Å; S262-G267 WeakPolarHBondContact OG-CA 3.47Å; S262-G267 PolarHBondContact OG-N 3.43Å | ||
| 263 | P | 38.4 | Very low | 49.9 | Very low | 79 Ų | 79 | 75 Ų | 75 | 51% | 0.513 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -65.3 | -13.6 | -178.3 | 27.2 | -36.4 | 0 | 0 | 0 | 114.2 | L255 | L255-P263 HydrophobicContact CB-CG 4Å; L255-P263 HydrophobicContact CD1-CG 4.25Å |
| 264 | F | 43.8 | Very low | 48.9 | Very low | 108 Ų | 108 | 74.9 Ų | 74.9 | 47% | 0.474 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -104.1 | 135.5 | 163.8 | -60.1 | -77.3 | 0 | 0 | 0 | 109.2 | S262 Y266 | S262-F264 CarbonylContact O-C 3.48Å; S262-F264 PolarHBondContact O-N 3.44Å; S262-F264 VanDerWaalsContact O-O 3.13Å; S262-F264 PolarHBondContact OG-O 2.79Å; F264-Y266 PolarHBondContact O-N 3.28Å |
| 265 | S | 42.4 | Very low | 47.8 | Very low | 121 Ų | 121 | 71.9 Ų | 71.9 | 85% | 0.846 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | 7 | -171.3 | -44.1 | 0 | 0 | 0 | 0 | 116.7 | ||
| 266 | Y | 46.8 | Very low | 46.6 | Very low | 83 Ų | 83 | 69 Ų | 69 | 33% | 0.325 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -8 | -170.3 | -66.9 | -72.3 | 0 | 0 | 0 | 115 | F264 W268 | F264-Y266 PolarHBondContact O-N 3.28Å; Y266-W268 AromaticContact CD1-CH2 3.94Å; Y266-W268 HydrophobicContact CD1-CH2 3.94Å; Y266-W268 HydrophobicContact CD1-CZ2 4.04Å; Y266-W268 HydrophobicContact CG-CH2 4.2Å; Y266-W268 HydrophobicContact CG-CZ2 4.42Å; Y266-W268 HydrophobicContact CG-CZ3 4.49Å; Y266-W268 PolarHBondContact O-N 3.36Å; Y266-W268 PolarHBondContact O-NE1 2.94Å |
| 267 | G | 46.4 | Very low | 46.1 | Very low | 31 Ų | 31 | 71.3 Ų | 71.3 | 32% | 0.32 | 39% | 0.386 | S | S | . | . | trans | 73.8 | -17.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 117.9 | S262 Y269 | S262-G267 VanDerWaalsContact OG-CA 3.25Å; S262-G267 WeakPolarHBondContact OG-CA 3.47Å; S262-G267 PolarHBondContact OG-N 3.43Å; G267-Y269 PolarHBondContact O-N 2.92Å | ||
| 268 | W | 53.4 | Low | 45.7 | Very low | 16 Ų | 16 | 73 Ų | 73 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | trans | -76.2 | 110.5 | -169.1 | -46.1 | -36 | 0 | 0 | 0 | 113.9 | Y266 V271 I280 G284 F288 | Y266-W268 AromaticContact CD1-CH2 3.94Å; Y266-W268 HydrophobicContact CD1-CH2 3.94Å; Y266-W268 HydrophobicContact CD1-CZ2 4.04Å; Y266-W268 HydrophobicContact CG-CH2 4.2Å; Y266-W268 HydrophobicContact CG-CZ2 4.42Å; Y266-W268 HydrophobicContact CG-CZ3 4.49Å; Y266-W268 PolarHBondContact O-N 3.36Å; Y266-W268 PolarHBondContact O-NE1 2.94Å; W268-V271 HydrophobicContact CB-CG2 3.98Å; W268-V271 HydrophobicContact CE3-CG1 4.22Å; W268-V271 HydrophobicContact CE3-CG2 4.39Å; W268-I280 HydrophobicContact CH2-CD1 4.36Å; W268-I280 HydrophobicContact CH2-CG2 4.08Å; W268-I280 HydrophobicContact CZ2-CB 4.41Å; W268-I280 HydrophobicContact CZ2-CD1 3.62Å; W268-I280 HydrophobicContact CZ2-CG1 3.78Å; W268-I280 HydrophobicContact CZ2-CG2 3.78Å; W268-G284 WeakPolarHBondContact CH2-O 3.35Å; W268-F288 HydrophobicContact CH2-CB 4.05Å; W268-F288 HydrophobicContact CZ3-CB 4.13Å | ||
| 269 | Y | 49.8 | Very low | 45.5 | Very low | 60 Ų | 60 | 74.6 Ų | 74.6 | 24% | 0.235 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -95.4 | -8.7 | 170.5 | 58.4 | -92.8 | 0 | 0 | 0 | 114 | V186 L187 V190 G267 Q274 | V186-Y269 HydrophobicContact CG1-CE2 3.86Å; L187-Y269 HydrophobicContact CD2-CD2 4.23Å; L187-Y269 HydrophobicContact CD2-CE2 4.44Å; V190-Y269 HydrophobicContact CG2-CD2 4.47Å; G267-Y269 PolarHBondContact O-N 2.92Å; Y269-Q274 VanDerWaalsContact CE2-OE1 3.26Å; Y269-Q274 PolarHBondContact OH-NE2 3.24Å |
| 270 | S | 51.2 | Low | 46 | Very low | 13 Ų | 13 | 68.1 Ų | 68.1 | 9% | 0.091 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -144.4 | 81.6 | 168.1 | -173.4 | 0 | 0 | 0 | 0 | 111 | S272 D273 Q274 | S270-S272 PolarHBondContact O-N 3.04Å; S270-S272 VanDerWaalsContact O-N 3.1Å; S270-D273 PolarHBondContact O-N 2.83Å; S270-D273 WeakPolarHBondContact OG-CB 3.45Å; S270-Q274 PolarHBondContact O-N 2.74Å |
| 271 | V | 49.8 | Very low | 46.8 | Very low | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.024 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -33.1 | -170.8 | -171.5 | 0 | 0 | 0 | 0 | 113.2 | Y248 W268 D273 F288 I291 W295 | Y248-V271 HydrophobicContact CE1-CG2 3.95Å; W268-V271 HydrophobicContact CB-CG2 3.98Å; W268-V271 HydrophobicContact CE3-CG1 4.22Å; W268-V271 HydrophobicContact CE3-CG2 4.39Å; V271-D273 PolarHBondContact O-N 3.44Å; V271-F288 HydrophobicContact CG1-CD2 3.79Å; V271-F288 HydrophobicContact CG1-CE2 4Å; V271-F288 WeakPolarHBondContact O-CE2 3.33Å; V271-I291 HydrophobicContact CB-CG2 4.49Å; V271-I291 HydrophobicContact CG1-CG2 3.94Å; V271-W295 HydrophobicContact CB-CZ3 4.34Å; V271-W295 HydrophobicContact CG2-CZ3 4.02Å |
| 272 | S | 47.8 | Very low | 47.9 | Very low | 7 Ų | 7 | 57.2 Ų | 57.2 | 5% | 0.049 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -15.1 | 179.8 | 171.9 | 0 | 0 | 0 | 0 | 115 | R79 V109 R245 S270 E296 | R79-S272 PolarHBondContact NH2-OG 3.28Å; R79-S272 VanDerWaalsContact NH2-OG 3.08Å; V109-S272 WeakPolarHBondContact CG2-OG 3.38Å; R245-S272 PolarHBondContact NH2-OG 3.17Å; S270-S272 PolarHBondContact O-N 3.04Å; S270-S272 VanDerWaalsContact O-N 3.1Å; S272-E296 WeakPolarHBondContact CB-OE1 3.34Å; S272-E296 PolarHBondContact OG-OE1 2.66Å; S272-E296 VanDerWaalsContact OG-OE1 3.12Å |
| 273 | D | 45.6 | Very low | 48.9 | Very low | 10 Ų | 10 | 61.8 Ų | 61.8 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -17.3 | -166.1 | -163.1 | 79.9 | 0 | 0 | 0 | 113 | Y101 R189 S270 V271 | Y101-D273 PolarHBondContact OH-O 2.85Å; R189-D273 IonicContact CZ-OD1 3.59Å; R189-D273 IonicContact CZ-OD2 2.7Å; R189-D273 IonicContact NH1-OD1 2.85Å; R189-D273 IonicContact NH1-OD2 2.74Å; R189-D273 PolarHBondContact NH1-OD2 3.39Å; R189-D273 IonicContact NH2-OD1 3.61Å; R189-D273 PolarHBondContact NH2-OD1 3.4Å; R189-D273 IonicContact NH2-OD2 3.44Å; R189-D273 PolarHBondContact NH2-OD2 3.29Å; S270-D273 PolarHBondContact O-N 2.83Å; S270-D273 WeakPolarHBondContact OG-CB 3.45Å; V271-D273 PolarHBondContact O-N 3.44Å |
| 274 | Q | 48.2 | Very low | 50.4 | Low | 29 Ų | 29 | 58.2 Ų | 58.2 | 14% | 0.136 | 31% | 0.312 | C | S | . | . | trans | -119.6 | 19.6 | -173.8 | -60.7 | -171.5 | -68.9 | 0 | 0 | 114.4 | Y269 S270 D276 V277 | Y269-Q274 VanDerWaalsContact CE2-OE1 3.26Å; Y269-Q274 PolarHBondContact OH-NE2 3.24Å; S270-Q274 PolarHBondContact O-N 2.74Å; Q274-D276 PolarHBondContact O-N 2.7Å; Q274-V277 HydrophobicContact CB-CG2 4.4Å; Q274-V277 PolarHBondContact O-N 3.48Å | ||
| 275 | A | 46.6 | Very low | 51.8 | Low | 18 Ų | 18 | 54.6 Ų | 54.6 | 15% | 0.149 | 30% | 0.295 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -10.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F288 | A275-F288 HydrophobicContact CB-CE1 4.38Å; A275-F288 HydrophobicContact CB-CE2 3.51Å; A275-F288 HydrophobicContact CB-CZ 3.37Å |
| 276 | D | 42.8 | Very low | 53.3 | Low | 37 Ų | 37 | 51.5 Ų | 51.5 | 20% | 0.198 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.2 | -6.8 | -167.5 | -159.1 | 40.9 | 0 | 0 | 0 | 113.7 | N94 Q274 | N94-D276 PolarHBondContact ND2-OD1 3.24Å; N94-D276 PolarHBondContact ND2-OD2 3.48Å; Q274-D276 PolarHBondContact O-N 2.7Å |
| 277 | V | 44.8 | Very low | 54.8 | Low | 107 Ų | 107 | 50.1 Ų | 50.1 | 65% | 0.648 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -89.3 | -19.5 | -171.8 | -175.5 | 0 | 0 | 0 | 0 | 113.1 | Q274 | Q274-V277 HydrophobicContact CB-CG2 4.4Å; Q274-V277 PolarHBondContact O-N 3.48Å |
| 278 | Q | 40.7 | Very low | 56.1 | Low | 124 Ų | 124 | 49.4 Ų | 49.4 | 58% | 0.579 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -130 | 148.3 | 170.5 | -80 | 175.5 | -47.6 | 0 | 0 | 109.2 | I280 | Q278-I280 PolarHBondContact O-N 3.17Š|
| 279 | K | 47.8 | Very low | 57.3 | Low | 202 Ų | 202 | 48.8 Ų | 48.8 | 88% | 0.878 | 26% | 0.255 | S | S | * | . | trans | -64.4 | 97.9 | 169.2 | -78.2 | -177.2 | 172.9 | -178.6 | 0 | 108.9 | S281 | K279-S281 PolarHBondContact O-N 3.05Š| ||
| 280 | I | 55.2 | Low | 58.8 | Low | 25 Ų | 25 | 49.9 Ų | 49.9 | 13% | 0.128 | 26% | 0.264 | C | S | . | . | trans | -76.9 | 79.9 | 172.9 | -53.2 | -179 | 0 | 0 | 0 | 107.9 | W268 Q278 G284 Y285 F288 | W268-I280 HydrophobicContact CH2-CD1 4.36Å; W268-I280 HydrophobicContact CH2-CG2 4.08Å; W268-I280 HydrophobicContact CZ2-CB 4.41Å; W268-I280 HydrophobicContact CZ2-CD1 3.62Å; W268-I280 HydrophobicContact CZ2-CG1 3.78Å; W268-I280 HydrophobicContact CZ2-CG2 3.78Å; Q278-I280 PolarHBondContact O-N 3.17Å; I280-G284 WeakPolarHBondContact CG2-O 3.46Å; I280-Y285 HydrophobicContact CG2-CD2 4.38Å; I280-Y285 VanDerWaalsContact CG2-N 3.33Å; I280-F288 HydrophobicContact CD1-CD2 4.12Å; I280-F288 HydrophobicContact CD1-CE2 4.5Å; I280-F288 HydrophobicContact CD1-CG 4.35Å; I280-F288 HydrophobicContact CG2-CB 4.45Å | ||
| 281 | S | 54.8 | Low | 60.4 | Low | 90 Ų | 90 | 50.7 Ų | 50.7 | 63% | 0.629 | 27% | 0.267 | S | S | * | . | trans | -93.6 | 139.5 | 177.1 | 53.3 | 0 | 0 | 0 | 0 | 112.1 | E29 K279 | E29-S281 WeakPolarHBondContact OE1-CA 3.49Å; K279-S281 PolarHBondContact O-N 3.05Å | ||
| 282 | G | 66.6 | Low | 61.9 | Low | 9 Ų | 9 | 50.7 Ų | 50.7 | 9% | 0.093 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | -125.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | E29 G284 Y285 I286 | E29-G282 PolarHBondContact OE1-N 3.43Å; G282-G284 PolarHBondContact O-N 2.89Å; G282-Y285 WeakPolarHBondContact O-CB 3.35Å; G282-Y285 PolarHBondContact O-N 2.84Å; G282-I286 PolarHBondContact O-N 3.34Å |
| 283 | E | 64.8 | Low | 63.8 | Low | 125 Ų | 125 | 53.9 Ų | 53.9 | 58% | 0.584 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -55.8 | -38.9 | -173.7 | -69.4 | -164.5 | 166.6 | 0 | 0 | 112.6 | I24 Y285 I286 V287 | I24-E283 HydrophobicContact CD1-CB 4.38Å; I24-E283 HydrophobicContact CD1-CG 3.43Å; I24-E283 VanDerWaalsContact CD1-CG 3.43Å; E283-Y285 PolarHBondContact O-N 3.34Å; E283-I286 WeakPolarHBondContact O-CB 3.29Å; E283-I286 PolarHBondContact O-N 2.81Å; E283-I286 VanDerWaalsContact O-N 3.16Å; E283-V287 WeakPolarHBondContact O-CG2 3.34Å; E283-V287 PolarHBondContact O-N 2.86Å |
| 284 | G | 69.1 | Low | 65.8 | Low | 4 Ų | 4 | 58.2 Ų | 58.2 | 4% | 0.041 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -56.3 | -35.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | W268 I280 G282 V287 F288 | W268-G284 WeakPolarHBondContact CH2-O 3.35Å; I280-G284 WeakPolarHBondContact CG2-O 3.46Å; G282-G284 PolarHBondContact O-N 2.89Å; G284-V287 PolarHBondContact O-N 3.41Å; G284-F288 WeakPolarHBondContact O-CB 3.35Å; G284-F288 PolarHBondContact O-N 2.9Å |
| 285 | Y | 73 | Confident | 67.7 | Low | 32 Ų | 32 | 58.2 Ų | 58.2 | 13% | 0.125 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -72.3 | -35.6 | -178.2 | -165 | -98.3 | 0 | 0 | 0 | 111.5 | E29 L32 T33 I280 G282 E283 F288 G289 | E29-Y285 HydrophobicContact CB-CD1 4Å; E29-Y285 HydrophobicContact CB-CE1 4.27Å; E29-Y285 HydrophobicContact CB-CG 4.48Å; E29-Y285 HydrophobicContact CG-CD1 3.95Å; E29-Y285 HydrophobicContact CG-CG 4.1Å; L32-Y285 HydrophobicContact CB-CD1 4.47Å; L32-Y285 HydrophobicContact CB-CE1 4.12Å; L32-Y285 HydrophobicContact CD2-CD1 3.81Å; L32-Y285 HydrophobicContact CD2-CE1 3.96Å; L32-Y285 HydrophobicContact CG-CE1 4.23Å; T33-Y285 PolarHBondContact OG1-OH 3.24Å; I280-Y285 HydrophobicContact CG2-CD2 4.38Å; I280-Y285 VanDerWaalsContact CG2-N 3.33Å; G282-Y285 WeakPolarHBondContact O-CB 3.35Å; G282-Y285 PolarHBondContact O-N 2.84Å; E283-Y285 PolarHBondContact O-N 3.34Å; Y285-F288 HydrophobicContact CE2-CD1 4.49Å; Y285-G289 PolarHBondContact O-N 3.37Å |
| 286 | I | 74.1 | Confident | 69.7 | Low | 56 Ų | 56 | 57.5 Ų | 57.5 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.4 | -50 | 173.8 | -49.2 | 173.3 | 0 | 0 | 0 | 109.9 | I24 L28 G282 E283 G289 I290 | I24-I286 HydrophobicContact CD1-CD1 4.1Å; I24-I286 HydrophobicContact CG2-CD1 4.47Å; L28-I286 HydrophobicContact CD2-CD1 3.6Å; L28-I286 HydrophobicContact CD2-CG1 4.02Å; G282-I286 PolarHBondContact O-N 3.34Å; E283-I286 WeakPolarHBondContact O-CB 3.29Å; E283-I286 PolarHBondContact O-N 2.81Å; E283-I286 VanDerWaalsContact O-N 3.16Å; I286-G289 PolarHBondContact O-N 3.03Å; I286-I290 HydrophobicContact CG2-CD1 3.98Å; I286-I290 WeakPolarHBondContact O-CG1 3.14Å; I286-I290 PolarHBondContact O-N 3.25Å |
| 287 | V | 77.8 | Confident | 71.9 | Confident | 54 Ų | 54 | 56.2 Ų | 56.2 | 33% | 0.327 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.8 | -46.5 | 178.8 | 172.4 | 0 | 0 | 0 | 0 | 111 | E283 G284 G289 I290 I291 | E283-V287 WeakPolarHBondContact O-CG2 3.34Å; E283-V287 PolarHBondContact O-N 2.86Å; G284-V287 PolarHBondContact O-N 3.41Å; V287-G289 PolarHBondContact O-N 3.08Å; V287-I290 PolarHBondContact O-N 3.47Å; V287-I291 HydrophobicContact CG1-CD1 3.74Å; V287-I291 HydrophobicContact CG1-CG1 4.48Å; V287-I291 WeakPolarHBondContact O-CB 3.38Å; V287-I291 VanDerWaalsContact O-CG1 3.25Å; V287-I291 WeakPolarHBondContact O-CG1 3.36Å; V287-I291 PolarHBondContact O-N 2.99Å |
| 288 | F | 74.8 | Confident | 74.1 | Confident | 16 Ų | 16 | 53.2 Ų | 53.2 | 7% | 0.07 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.8 | -48.1 | 174.2 | 173.3 | -100.1 | 0 | 0 | 0 | 112.2 | W268 V271 A275 I280 G284 Y285 I291 L292 | W268-F288 HydrophobicContact CH2-CB 4.05Å; W268-F288 HydrophobicContact CZ3-CB 4.13Å; V271-F288 HydrophobicContact CG1-CD2 3.79Å; V271-F288 HydrophobicContact CG1-CE2 4Å; V271-F288 WeakPolarHBondContact O-CE2 3.33Å; A275-F288 HydrophobicContact CB-CE1 4.38Å; A275-F288 HydrophobicContact CB-CE2 3.51Å; A275-F288 HydrophobicContact CB-CZ 3.37Å; I280-F288 HydrophobicContact CD1-CD2 4.12Å; I280-F288 HydrophobicContact CD1-CE2 4.5Å; I280-F288 HydrophobicContact CD1-CG 4.35Å; I280-F288 HydrophobicContact CG2-CB 4.45Å; G284-F288 WeakPolarHBondContact O-CB 3.35Å; G284-F288 PolarHBondContact O-N 2.9Å; Y285-F288 HydrophobicContact CE2-CD1 4.49Å; F288-I291 PolarHBondContact O-N 3.47Å; F288-L292 HydrophobicContact CD1-CD1 4.21Å; F288-L292 HydrophobicContact CE1-CD1 3.5Å; F288-L292 VanDerWaalsContact CE1-CD1 3.5Å; F288-L292 HydrophobicContact CE1-CG 4.28Å; F288-L292 HydrophobicContact CE2-CD1 4.29Å; F288-L292 HydrophobicContact CE2-CG 4.4Å; F288-L292 HydrophobicContact CZ-CD1 3.54Å; F288-L292 HydrophobicContact CZ-CG 4.13Å; F288-L292 PolarHBondContact O-N 2.83Å |
| 289 | G | 78 | Confident | 76.5 | Confident | 2 Ų | 2 | 47.3 Ų | 47.3 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.8 | -50.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y36 Y285 I286 V287 I291 L292 F293 | Y36-G289 PolarHBondContact OH-O 2.68Å; Y285-G289 PolarHBondContact O-N 3.37Å; I286-G289 PolarHBondContact O-N 3.03Å; V287-G289 PolarHBondContact O-N 3.08Å; G289-I291 VanDerWaalsContact C-N 3.28Å; G289-I291 PolarHBondContact O-N 3.02Å; G289-L292 PolarHBondContact O-N 3.08Å; G289-F293 PolarHBondContact O-N 2.96Å |
| 290 | I | 81.9 | Confident | 78.5 | Confident | 84 Ų | 84 | 37.9 Ų | 37.9 | 43% | 0.431 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -56.7 | -42.9 | 177.4 | -69.1 | 166.8 | 0 | 0 | 0 | 110.9 | I286 V287 F293 F294 | I286-I290 HydrophobicContact CG2-CD1 3.98Å; I286-I290 WeakPolarHBondContact O-CG1 3.14Å; I286-I290 PolarHBondContact O-N 3.25Å; V287-I290 PolarHBondContact O-N 3.47Å; I290-F293 WeakPolarHBondContact O-CB 3.36Å; I290-F293 PolarHBondContact O-N 2.85Å; I290-F294 HydrophobicContact CG2-CD2 3.87Å; I290-F294 HydrophobicContact CG2-CE2 3.93Å; I290-F294 WeakPolarHBondContact O-CD2 3.45Å; I290-F294 PolarHBondContact O-N 3.5Å; I290-F294 VanDerWaalsContact O-N 3.11Å |
| 291 | I | 83.7 | Confident | 80.2 | Confident | 30 Ų | 30 | 38.4 Ų | 38.4 | 15% | 0.154 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.5 | -46.7 | 177.4 | -70.4 | 167.4 | 0 | 0 | 0 | 111.2 | V271 V287 F288 G289 F293 F294 W295 | V271-I291 HydrophobicContact CB-CG2 4.49Å; V271-I291 HydrophobicContact CG1-CG2 3.94Å; V287-I291 HydrophobicContact CG1-CD1 3.74Å; V287-I291 HydrophobicContact CG1-CG1 4.48Å; V287-I291 WeakPolarHBondContact O-CB 3.38Å; V287-I291 VanDerWaalsContact O-CG1 3.25Å; V287-I291 WeakPolarHBondContact O-CG1 3.36Å; V287-I291 PolarHBondContact O-N 2.99Å; F288-I291 PolarHBondContact O-N 3.47Å; G289-I291 VanDerWaalsContact C-N 3.28Å; G289-I291 PolarHBondContact O-N 3.02Å; I291-F293 VanDerWaalsContact C-N 3.31Å; I291-F293 PolarHBondContact O-N 3.32Å; I291-F294 PolarHBondContact O-N 3.3Å; I291-W295 HydrophobicContact CG2-CD2 3.73Å; I291-W295 HydrophobicContact CG2-CE3 3.2Å; I291-W295 HydrophobicContact CG2-CG 4.49Å; I291-W295 HydrophobicContact CG2-CH2 3.85Å; I291-W295 HydrophobicContact CG2-CZ2 4.35Å; I291-W295 HydrophobicContact CG2-CZ3 3.28Å; I291-W295 WeakPolarHBondContact O-CB 3.42Å; I291-W295 PolarHBondContact O-N 3.14Å |
| 292 | L | 83 | Confident | 81.9 | Confident | 4 Ų | 4 | 36.1 Ų | 36.1 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.1 | -36.4 | 175.1 | -70.4 | -174.5 | 0 | 0 | 0 | 112.8 | F83 F288 G289 E296 L297 | F83-L292 HydrophobicContact CZ-CD1 3.85Å; F288-L292 HydrophobicContact CD1-CD1 4.21Å; F288-L292 HydrophobicContact CE1-CD1 3.5Å; F288-L292 VanDerWaalsContact CE1-CD1 3.5Å; F288-L292 HydrophobicContact CE1-CG 4.28Å; F288-L292 HydrophobicContact CE2-CD1 4.29Å; F288-L292 HydrophobicContact CE2-CG 4.4Å; F288-L292 HydrophobicContact CZ-CD1 3.54Å; F288-L292 HydrophobicContact CZ-CG 4.13Å; F288-L292 PolarHBondContact O-N 2.83Å; G289-L292 PolarHBondContact O-N 3.08Å; L292-E296 HydrophobicContact CD2-CG 4.31Å; L292-E296 WeakPolarHBondContact O-CA 3.38Å; L292-E296 VanDerWaalsContact O-CB 3.29Å; L292-E296 WeakPolarHBondContact O-CB 3.41Å; L292-E296 PolarHBondContact O-N 3.41Å; L292-L297 PolarHBondContact O-N 3.04Å |
| 293 | F | 86.3 | Confident | 83 | Confident | 73 Ų | 73 | 35.8 Ų | 35.8 | 32% | 0.32 | 18% | 0.178 | S | C | . | . | I | π-helix | trans | -59.1 | -52.7 | 175.2 | -179.6 | -87.6 | 0 | 0 | 0 | 111.1 | Y36 G289 I290 I291 L297 L298 | Y36-F293 HydrophobicContact CE1-CB 4.27Å; Y36-F293 HydrophobicContact CE1-CD2 4.45Å; G289-F293 PolarHBondContact O-N 2.96Å; I290-F293 WeakPolarHBondContact O-CB 3.36Å; I290-F293 PolarHBondContact O-N 2.85Å; I291-F293 VanDerWaalsContact C-N 3.31Å; I291-F293 PolarHBondContact O-N 3.32Å; F293-L297 HydrophobicContact CD2-CD2 3.86Å; F293-L297 HydrophobicContact CE2-CD2 4.03Å; F293-L297 PolarHBondContact O-N 3.07Å; F293-L298 WeakPolarHBondContact O-CB 3.17Å; F293-L298 PolarHBondContact O-N 3.24Å |
| 294 | F | 88.5 | Confident | 84.2 | Confident | 101 Ų | 101 | 29.9 Ų | 29.9 | 44% | 0.443 | 15% | 0.151 | S | C | . | . | I | π-helix | trans | -72.3 | -39 | -177.3 | -80.1 | -71.9 | 0 | 0 | 0 | 113.9 | I290 I291 L298 P299 | I290-F294 HydrophobicContact CG2-CD2 3.87Å; I290-F294 HydrophobicContact CG2-CE2 3.93Å; I290-F294 WeakPolarHBondContact O-CD2 3.45Å; I290-F294 PolarHBondContact O-N 3.5Å; I290-F294 VanDerWaalsContact O-N 3.11Å; I291-F294 PolarHBondContact O-N 3.3Å; F294-L298 HydrophobicContact CD1-CD2 3.79Å; F294-L298 HydrophobicContact CE1-CD2 4.19Å; F294-P299 WeakPolarHBondContact O-CD 3.27Å |
| 295 | W | 88.1 | Confident | 85 | Confident | 30 Ų | 30 | 33 Ų | 33 | 11% | 0.114 | 17% | 0.168 | C | C | . | . | I | π-helix | trans | -90.2 | -11.3 | -175.3 | -70 | -12.7 | 0 | 0 | 0 | 115 | S244 R245 Y248 V271 I291 | S244-W295 PolarHBondContact OG-NE1 3.22Å; S244-W295 VanDerWaalsContact OG-NE1 3.09Å; R245-W295 HydrophobicContact CB-CB 4.37Å; R245-W295 HydrophobicContact CB-CD2 3.64Å; R245-W295 HydrophobicContact CB-CE3 3.99Å; R245-W295 HydrophobicContact CB-CG 3.79Å; R245-W295 HydrophobicContact CG-CD2 3.9Å; R245-W295 HydrophobicContact CG-CE3 3.73Å; R245-W295 HydrophobicContact CG-CG 4.25Å; R245-W295 HydrophobicContact CG-CZ3 4.33Å; Y248-W295 AromaticContact CD1-CH2 3.46Å; Y248-W295 HydrophobicContact CD1-CH2 3.46Å; Y248-W295 VanDerWaalsContact CD1-CH2 3.46Å; Y248-W295 HydrophobicContact CD1-CZ2 4.47Å; Y248-W295 HydrophobicContact CD1-CZ3 4.02Å; Y248-W295 HydrophobicContact CD2-CH2 4.12Å; Y248-W295 HydrophobicContact CE1-CH2 4.13Å; Y248-W295 AromaticContact CG-CH2 3.47Å; Y248-W295 HydrophobicContact CG-CH2 3.47Å; Y248-W295 VanDerWaalsContact CG-CH2 3.47Å; Y248-W295 HydrophobicContact CG-CZ2 4.08Å; Y248-W295 HydrophobicContact CG-CZ3 4.44Å; V271-W295 HydrophobicContact CB-CZ3 4.34Å; V271-W295 HydrophobicContact CG2-CZ3 4.02Å; I291-W295 HydrophobicContact CG2-CD2 3.73Å; I291-W295 HydrophobicContact CG2-CE3 3.2Å; I291-W295 HydrophobicContact CG2-CG 4.49Å; I291-W295 HydrophobicContact CG2-CH2 3.85Å; I291-W295 HydrophobicContact CG2-CZ2 4.35Å; I291-W295 HydrophobicContact CG2-CZ3 3.28Å; I291-W295 WeakPolarHBondContact O-CB 3.42Å; I291-W295 PolarHBondContact O-N 3.14Å |
| 296 | E | 89 | Confident | 85.7 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | I | π-helix | trans | -135.7 | -50.2 | -174.8 | -56.3 | -153.6 | -170.9 | 0 | 0 | 115.6 | W75 R79 Q112 R245 S272 L292 T300 | W75-E296 HydrophobicContact CH2-CB 4.31Å; W75-E296 WeakPolarHBondContact CH2-O 3.47Å; W75-E296 HydrophobicContact CZ2-CB 3.8Å; R79-E296 IonicContact CZ-OE1 3.79Å; R79-E296 IonicContact CZ-OE2 2.83Å; R79-E296 VanDerWaalsContact CZ-OE2 3.27Å; R79-E296 IonicContact NE-OE2 3.86Å; R79-E296 PolarHBondContact NE-OE2 3.16Å; R79-E296 IonicContact NH2-OE1 3.55Å; R79-E296 PolarHBondContact NH2-OE1 2.87Å; R79-E296 IonicContact NH2-OE2 3.33Å; R79-E296 PolarHBondContact NH2-OE2 2.91Å; Q112-E296 VanDerWaalsContact NE2-CD 3.28Å; Q112-E296 PolarHBondContact NE2-OE2 2.98Å; R245-E296 IonicContact NH1-OE1 3.27Å; R245-E296 IonicContact NH2-OE1 2.9Å; S272-E296 WeakPolarHBondContact CB-OE1 3.34Å; S272-E296 PolarHBondContact OG-OE1 2.66Å; S272-E296 VanDerWaalsContact OG-OE1 3.12Å; L292-E296 HydrophobicContact CD2-CG 4.31Å; L292-E296 WeakPolarHBondContact O-CA 3.38Å; L292-E296 VanDerWaalsContact O-CB 3.29Å; L292-E296 WeakPolarHBondContact O-CB 3.41Å; L292-E296 PolarHBondContact O-N 3.41Å; E296-T300 WeakPolarHBondContact O-CB 3.43Å; E296-T300 PolarHBondContact O-N 2.86Å; E296-T300 PolarHBondContact O-OG1 2.88Å |
| 297 | L | 88.4 | Confident | 86.1 | Confident | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.052 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -72.8 | -42.3 | -179.8 | -178 | 57.3 | 0 | 0 | 0 | 111.2 | L39 Y40 L43 L292 F293 S301 | L39-L297 HydrophobicContact CB-CD2 4Å; L39-L297 HydrophobicContact CD1-CD2 3.93Å; L39-L297 HydrophobicContact CG-CD2 4.48Å; Y40-L297 HydrophobicContact CD1-CD1 4.03Å; Y40-L297 HydrophobicContact CE1-CB 4.1Å; Y40-L297 HydrophobicContact CE1-CD1 3.82Å; Y40-L297 HydrophobicContact CE1-CD2 4.45Å; Y40-L297 HydrophobicContact CE1-CG 4.33Å; L43-L297 HydrophobicContact CD2-CD1 3.74Å; L292-L297 PolarHBondContact O-N 3.04Å; F293-L297 HydrophobicContact CD2-CD2 3.86Å; F293-L297 HydrophobicContact CE2-CD2 4.03Å; F293-L297 PolarHBondContact O-N 3.07Å; L297-S301 VanDerWaalsContact O-CB 3.26Å; L297-S301 WeakPolarHBondContact O-CB 3.42Å; L297-S301 PolarHBondContact O-N 3.35Å; L297-S301 PolarHBondContact O-OG 3.29Å |
| 298 | L | 91.2 | Very high | 86.4 | Confident | 44 Ų | 44 | 33.6 Ų | 33.6 | 23% | 0.23 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.5 | -47.5 | -179.3 | -174.6 | 61.7 | 0 | 0 | 0 | 113.3 | L241 F293 F294 T300 S301 L302 | L241-L298 HydrophobicContact CD1-CB 4.18Å; L241-L298 HydrophobicContact CD1-CD2 3.72Å; L241-L298 HydrophobicContact CD1-CG 3.76Å; L241-L298 HydrophobicContact CD2-CD2 4.37Å; F293-L298 WeakPolarHBondContact O-CB 3.17Å; F293-L298 PolarHBondContact O-N 3.24Å; F294-L298 HydrophobicContact CD1-CD2 3.79Å; F294-L298 HydrophobicContact CE1-CD2 4.19Å; L298-T300 PolarHBondContact O-N 3.26Å; L298-S301 PolarHBondContact O-OG 3.48Å; L298-S301 VanDerWaalsContact O-OG 3.11Å; L298-L302 HydrophobicContact CD1-CD1 4.18Å; L298-L302 HydrophobicContact CD1-CG 4.3Å; L298-L302 HydrophobicContact CG-CD1 4.13Å; L298-L302 WeakPolarHBondContact O-CB 3.29Å; L298-L302 WeakPolarHBondContact O-CD1 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 2.93Å; L298-L302 VanDerWaalsContact O-N 3.07Å |
| 299 | P | 90.1 | Very high | 86.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 175.5 | -21.5 | 33.3 | 0 | 0 | 0 | 112.5 | L241 Y242 F294 V303 | L241-P299 HydrophobicContact CB-CG 3.86Å; L241-P299 HydrophobicContact CD1-CG 3.78Å; L241-P299 HydrophobicContact CG-CG 4.46Å; Y242-P299 HydrophobicContact CE2-CB 4.25Å; F294-P299 WeakPolarHBondContact O-CD 3.27Å; P299-V303 WeakPolarHBondContact O-CG2 3.4Å; P299-V303 PolarHBondContact O-N 3.23Å; P299-V303 VanDerWaalsContact O-N 3.1Å |
| 300 | T | 90.6 | Very high | 85.8 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.5 | -45.1 | -177.6 | -50.6 | 0 | 0 | 0 | 0 | 111.7 | L43 C72 W75 E296 L298 L302 V303 V304 | L43-T300 HydrophobicContact CD2-CG2 4.39Å; C72-T300 HydrophobicContact CB-CG2 4.18Å; W75-T300 HydrophobicContact CD2-CG2 4.34Å; W75-T300 HydrophobicContact CE3-CG2 3.6Å; W75-T300 HydrophobicContact CZ3-CG2 3.71Å; E296-T300 WeakPolarHBondContact O-CB 3.43Å; E296-T300 PolarHBondContact O-N 2.86Å; E296-T300 PolarHBondContact O-OG1 2.88Å; L298-T300 PolarHBondContact O-N 3.26Å; T300-L302 PolarHBondContact O-N 3.27Å; T300-V303 PolarHBondContact O-N 2.88Å; T300-V304 HydrophobicContact CG2-CG2 4.43Å; T300-V304 WeakPolarHBondContact O-CG2 3.41Å; T300-V304 PolarHBondContact O-N 3.2Å |
| 301 | S | 89.9 | Confident | 84.6 | Confident | 35 Ų | 35 | 43.6 Ų | 43.6 | 25% | 0.245 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63.5 | -39.6 | 177.4 | 57.8 | 0 | 0 | 0 | 0 | 112.2 | L297 L298 V303 V304 V305 | L297-S301 VanDerWaalsContact O-CB 3.26Å; L297-S301 WeakPolarHBondContact O-CB 3.42Å; L297-S301 PolarHBondContact O-N 3.35Å; L297-S301 PolarHBondContact O-OG 3.29Å; L298-S301 PolarHBondContact O-OG 3.48Å; L298-S301 VanDerWaalsContact O-OG 3.11Å; S301-V303 PolarHBondContact O-N 2.94Å; S301-V304 PolarHBondContact O-N 3.24Å; S301-V305 WeakPolarHBondContact O-CB 3.15Å; S301-V305 VanDerWaalsContact O-CG2 3.31Å; S301-V305 WeakPolarHBondContact O-CG2 3.36Å; S301-V305 PolarHBondContact O-N 3.49Å |
| 302 | L | 90.9 | Very high | 82.9 | Confident | 42 Ų | 42 | 45.5 Ų | 45.5 | 22% | 0.22 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -44.1 | 172.6 | -75.7 | 170 | 0 | 0 | 0 | 112.5 | V234 V237 V238 L241 L298 T300 V305 F306 | V234-L302 HydrophobicContact CG1-CB 4.26Å; V237-L302 HydrophobicContact CB-CD1 4.25Å; V237-L302 HydrophobicContact CG1-CD1 3.54Å; V238-L302 HydrophobicContact CG2-CB 4.27Å; V238-L302 HydrophobicContact CG2-CD1 4.43Å; L241-L302 HydrophobicContact CD1-CD1 4.46Å; L298-L302 HydrophobicContact CD1-CD1 4.18Å; L298-L302 HydrophobicContact CD1-CG 4.3Å; L298-L302 HydrophobicContact CG-CD1 4.13Å; L298-L302 WeakPolarHBondContact O-CB 3.29Å; L298-L302 WeakPolarHBondContact O-CD1 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.49Å; L298-L302 PolarHBondContact O-N 2.93Å; L298-L302 VanDerWaalsContact O-N 3.07Å; T300-L302 PolarHBondContact O-N 3.27Å; L302-V305 PolarHBondContact O-N 2.82Å; L302-F306 WeakPolarHBondContact O-CB 3.3Å; L302-F306 PolarHBondContact O-N 3.48Å |
| 303 | V | 89.5 | Confident | 81 | Confident | 3 Ų | 3 | 51.5 Ų | 51.5 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.9 | -43.1 | 176.3 | 170.2 | 0 | 0 | 0 | 0 | 111.5 | F68 T115 L119 V238 P299 T300 S301 V305 F306 F307 | F68-V303 HydrophobicContact CD1-CG1 4.33Å; T115-V303 HydrophobicContact CG2-CG1 3.94Å; T115-V303 HydrophobicContact CG2-CG2 4.45Å; L119-V303 HydrophobicContact CD2-CG2 4.49Å; V238-V303 HydrophobicContact CG2-CG2 4.24Å; P299-V303 WeakPolarHBondContact O-CG2 3.4Å; P299-V303 PolarHBondContact O-N 3.23Å; P299-V303 VanDerWaalsContact O-N 3.1Å; T300-V303 PolarHBondContact O-N 2.88Å; S301-V303 PolarHBondContact O-N 2.94Å; V303-V305 PolarHBondContact O-N 3.34Å; V303-F306 PolarHBondContact O-N 3Å; V303-F307 HydrophobicContact CG1-CD2 3.79Å; V303-F307 HydrophobicContact CG1-CE2 4.07Å; V303-F307 WeakPolarHBondContact O-CD2 3.38Å; V303-F307 PolarHBondContact O-N 3.26Å |
| 304 | V | 90.1 | Very high | 78.9 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.2 | -36.1 | 177.1 | 168.3 | 0 | 0 | 0 | 0 | 112.4 | L43 F46 V47 Q50 L69 C72 T300 S301 R308 | L43-V304 HydrophobicContact CD1-CB 4.36Å; L43-V304 HydrophobicContact CD1-CG1 4.14Å; L43-V304 HydrophobicContact CD1-CG2 4.37Å; F46-V304 HydrophobicContact CD1-CG1 3.78Å; F46-V304 HydrophobicContact CE1-CG1 3.8Å; V47-V304 HydrophobicContact CG2-CB 4.27Å; V47-V304 HydrophobicContact CG2-CG1 3.56Å; V47-V304 HydrophobicContact CG2-CG2 3.63Å; Q50-V304 PolarHBondContact NE2-O 2.93Å; L69-V304 HydrophobicContact CD2-CG1 4.34Å; L69-V304 HydrophobicContact CD2-CG2 4.47Å; C72-V304 HydrophobicContact CB-CG2 3.6Å; T300-V304 HydrophobicContact CG2-CG2 4.43Å; T300-V304 WeakPolarHBondContact O-CG2 3.41Å; T300-V304 PolarHBondContact O-N 3.2Å; S301-V304 PolarHBondContact O-N 3.24Å; V304-R308 PolarHBondContact O-N 3.43Å |
| 305 | V | 87.1 | Confident | 76.5 | Confident | 68 Ų | 68 | 57.4 Ų | 57.4 | 41% | 0.412 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -73.4 | -36.2 | 175.1 | 170.2 | 0 | 0 | 0 | 0 | 111.4 | S301 L302 V303 R308 | S301-V305 WeakPolarHBondContact O-CB 3.15Å; S301-V305 VanDerWaalsContact O-CG2 3.31Å; S301-V305 WeakPolarHBondContact O-CG2 3.36Å; S301-V305 PolarHBondContact O-N 3.49Å; L302-V305 PolarHBondContact O-N 2.82Å; V303-V305 PolarHBondContact O-N 3.34Å; V305-R308 WeakPolarHBondContact O-CB 3.47Å; V305-R308 WeakPolarHBondContact O-CD 3.19Å; V305-R308 WeakPolarHBondContact O-CG 3.39Å; V305-R308 PolarHBondContact O-N 3.02Å |
| 306 | F | 86.1 | Confident | 74.5 | Confident | 13 Ų | 13 | 63 Ų | 63 | 6% | 0.057 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68 | -44.1 | 176.5 | -179.4 | -103 | 0 | 0 | 0 | 112.6 | Y122 F123 T226 A231 V234 L302 V303 R308 | Y122-F306 HydrophobicContact CE1-CE1 4.19Å; F123-F306 HydrophobicContact CZ-CE1 4.27Å; F123-F306 HydrophobicContact CZ-CZ 4.16Å; T226-F306 HydrophobicContact CG2-CD2 4.43Å; T226-F306 HydrophobicContact CG2-CE2 3.93Å; T226-F306 HydrophobicContact CG2-CZ 4.29Å; A231-F306 HydrophobicContact CB-CE2 3.71Å; A231-F306 HydrophobicContact CB-CZ 3.92Å; V234-F306 HydrophobicContact CG1-CB 4.17Å; V234-F306 HydrophobicContact CG1-CG 4.45Å; L302-F306 WeakPolarHBondContact O-CB 3.3Å; L302-F306 PolarHBondContact O-N 3.48Å; V303-F306 PolarHBondContact O-N 3Å; F306-R308 PolarHBondContact O-N 2.97Å |
| 307 | F | 82.9 | Confident | 71.8 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 5% | 0.053 | 33% | 0.333 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | 14.3 | 176.1 | -70.2 | -63 | 0 | 0 | 0 | 114 | Q65 F68 L119 Y122 V303 V309 | Q65-F307 HydrophobicContact CG-CB 4.33Å; Q65-F307 WeakPolarHBondContact CG-O 3.47Å; Q65-F307 PolarHBondContact NE2-O 2.96Å; F68-F307 HydrophobicContact CB-CD2 4.13Å; F68-F307 HydrophobicContact CD1-CD2 4.27Å; F68-F307 AromaticContact CD1-CE2 3.99Å; F68-F307 HydrophobicContact CD1-CE2 3.99Å; F68-F307 HydrophobicContact CD2-CD1 4.04Å; F68-F307 AromaticContact CD2-CD2 3.61Å; F68-F307 HydrophobicContact CD2-CD2 3.61Å; F68-F307 AromaticContact CD2-CE1 3.88Å; F68-F307 HydrophobicContact CD2-CE1 3.88Å; F68-F307 AromaticContact CD2-CE2 3.41Å; F68-F307 HydrophobicContact CD2-CE2 3.41Å; F68-F307 VanDerWaalsContact CD2-CE2 3.41Å; F68-F307 AromaticContact CD2-CG 3.93Å; F68-F307 HydrophobicContact CD2-CG 3.93Å; F68-F307 AromaticContact CD2-CZ 3.58Å; F68-F307 HydrophobicContact CD2-CZ 3.58Å; F68-F307 AromaticContact CE1-CE2 3.87Å; F68-F307 HydrophobicContact CE1-CE2 3.87Å; F68-F307 HydrophobicContact CE1-CZ 4.37Å; F68-F307 HydrophobicContact CE2-CD1 4.32Å; F68-F307 HydrophobicContact CE2-CD2 4.03Å; F68-F307 AromaticContact CE2-CE1 3.69Å; F68-F307 HydrophobicContact CE2-CE1 3.69Å; F68-F307 AromaticContact CE2-CE2 3.33Å; F68-F307 HydrophobicContact CE2-CE2 3.33Å; F68-F307 HydrophobicContact CE2-CG 4.49Å; F68-F307 AromaticContact CE2-CZ 3.14Å; F68-F307 HydrophobicContact CE2-CZ 3.14Å; F68-F307 AromaticContact CG-CD2 3.77Å; F68-F307 HydrophobicContact CG-CD2 3.77Å; F68-F307 AromaticContact CG-CE2 3.78Å; F68-F307 HydrophobicContact CG-CE2 3.78Å; F68-F307 HydrophobicContact CG-CG 4.37Å; F68-F307 HydrophobicContact CG-CZ 4.39Å; F68-F307 HydrophobicContact CZ-CD2 4.49Å; F68-F307 AromaticContact CZ-CE2 3.56Å; F68-F307 HydrophobicContact CZ-CE2 3.56Å; F68-F307 AromaticContact CZ-CZ 3.6Å; F68-F307 HydrophobicContact CZ-CZ 3.6Å; L119-F307 HydrophobicContact CD1-CE2 3.87Å; L119-F307 HydrophobicContact CD1-CZ 4Å; Y122-F307 HydrophobicContact CD1-CE1 4.28Å; Y122-F307 HydrophobicContact CD1-CZ 4.02Å; Y122-F307 HydrophobicContact CD2-CE1 4.08Å; Y122-F307 HydrophobicContact CD2-CZ 4.37Å; Y122-F307 HydrophobicContact CE1-CE1 4.11Å; Y122-F307 HydrophobicContact CE1-CZ 4.21Å; Y122-F307 AromaticContact CE2-CE1 3.88Å; Y122-F307 HydrophobicContact CE2-CE1 3.88Å; Y122-F307 HydrophobicContact CG-CE1 4.28Å; Y122-F307 HydrophobicContact CG-CZ 4.12Å; Y122-F307 AromaticContact CZ-CE1 3.9Å; V303-F307 HydrophobicContact CG1-CD2 3.79Å; V303-F307 HydrophobicContact CG1-CE2 4.07Å; V303-F307 WeakPolarHBondContact O-CD2 3.38Å; V303-F307 PolarHBondContact O-N 3.26Å; F307-V309 PolarHBondContact O-N 3.17Å |
| 308 | R | 83.6 | Confident | 69.7 | Low | 131 Ų | 131 | 72.4 Ų | 72.4 | 49% | 0.494 | 37% | 0.374 | S | S | . | . | trans | -57.6 | 139.9 | -176.2 | 76.2 | -175 | -178.5 | 158.1 | 1 | 112.5 | Q50 V304 V305 F306 Q310 | Q50-R308 VanDerWaalsContact OE1-CA 3.3Å; V304-R308 PolarHBondContact O-N 3.43Å; V305-R308 WeakPolarHBondContact O-CB 3.47Å; V305-R308 WeakPolarHBondContact O-CD 3.19Å; V305-R308 WeakPolarHBondContact O-CG 3.39Å; V305-R308 PolarHBondContact O-N 3.02Å; F306-R308 PolarHBondContact O-N 2.97Å; R308-Q310 VanDerWaalsContact C-N 3.34Å; R308-Q310 HydrophobicContact CG-CG 4.39Å; R308-Q310 PolarHBondContact O-N 2.85Å | ||
| 309 | V | 74.3 | Confident | 67.4 | Low | 23 Ų | 23 | 73.7 Ų | 73.7 | 14% | 0.139 | 40% | 0.397 | C | S | . | . | trans | -68.8 | 93.4 | 173.3 | -173.6 | 0 | 0 | 0 | 0 | 109 | Q50 L53 I54 Y57 L69 F307 | Q50-V309 HydrophobicContact CB-CG2 4.01Å; Q50-V309 HydrophobicContact CG-CG2 4.45Å; L53-V309 HydrophobicContact CB-CG1 4.14Å; I54-V309 HydrophobicContact CD1-CG2 3.9Å; I54-V309 HydrophobicContact CG1-CG2 3.54Å; Y57-V309 HydrophobicContact CD2-CG1 4.41Å; L69-V309 HydrophobicContact CD1-CG2 4.4Å; F307-V309 PolarHBondContact O-N 3.17Å | ||
| 310 | Q | 67.6 | Low | 64.8 | Low | 83 Ų | 83 | 76.8 Ų | 76.8 | 39% | 0.388 | 43% | 0.43 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 137.1 | 164.5 | -54.8 | -172.2 | 20.9 | 0 | 0 | 107.6 | G225 R308 | G225-Q310 PolarHBondContact O-NE2 3.14Å; R308-Q310 VanDerWaalsContact C-N 3.34Å; R308-Q310 HydrophobicContact CG-CG 4.39Å; R308-Q310 PolarHBondContact O-N 2.85Å |
| 311 | R | 55.8 | Low | 62.5 | Low | 205 Ų | 205 | 85.7 Ų | 85.7 | 77% | 0.774 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 137.2 | 173.3 | -71.6 | -178.8 | 178.3 | 172.6 | -0.1 | 108.4 | H313 | R311-H313 PolarHBondContact O-N 3.31Å; R311-H313 VanDerWaalsContact O-N 3.1Å |
| 312 | P | 48.4 | Very low | 60 | Low | 70 Ų | 70 | 89.7 Ų | 89.7 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 122.3 | 174.2 | 23.3 | -32.6 | 0 | 0 | 0 | 108.9 | Q314 | P312-Q314 PolarHBondContact O-N 3.03Å; P312-Q314 VanDerWaalsContact O-N 3.08Å |
| 313 | H | 42.6 | Very low | 57.7 | Low | 130 Ų | 130 | 94.5 Ų | 94.5 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | trans | -59.5 | 115.2 | -178.1 | -112.5 | -137.1 | 0 | 0 | 0 | 109.2 | R311 N315 L316 | R311-H313 PolarHBondContact O-N 3.31Å; R311-H313 VanDerWaalsContact O-N 3.1Å; H313-N315 PolarHBondContact O-N 3.19Å; H313-L316 HydrophobicContact CB-CD1 4.44Å; H313-L316 PolarHBondContact O-N 2.96Å; H313-L316 VanDerWaalsContact O-N 3.08Å | ||
| 314 | Q | 41.9 | Very low | 55.3 | Low | 187 Ų | 187 | 98.4 Ų | 98.4 | 87% | 0.874 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -11.8 | 175.8 | -66.7 | 175.3 | -79.6 | 0 | 0 | 112.4 | P312 L316 | P312-Q314 PolarHBondContact O-N 3.03Å; P312-Q314 VanDerWaalsContact O-N 3.08Å; Q314-L316 VanDerWaalsContact C-N 3.27Å; Q314-L316 PolarHBondContact O-N 3.32Å |
| 315 | N | 39.3 | Very low | 53.1 | Low | 111 Ų | 111 | 107.2 Ų | 107.2 | 59% | 0.594 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | 8.2 | 174.3 | -57.2 | -47.4 | 0 | 0 | 0 | 114.4 | H313 I322 | H313-N315 PolarHBondContact O-N 3.19Å; N315-I322 HydrophobicContact CB-CD1 4.45Å |
| 316 | L | 46.3 | Very low | 51.2 | Low | 148 Ų | 148 | 108.1 Ų | 108.1 | 78% | 0.775 | 59% | 0.594 | S | S | * | * | trans | -115.9 | 51.4 | 172.9 | -80.2 | 163.5 | 0 | 0 | 0 | 111.1 | H313 Q314 | H313-L316 HydrophobicContact CB-CD1 4.44Å; H313-L316 PolarHBondContact O-N 2.96Å; H313-L316 VanDerWaalsContact O-N 3.08Å; Q314-L316 VanDerWaalsContact C-N 3.27Å; Q314-L316 PolarHBondContact O-N 3.32Å | ||
| 317 | A | 32 | Very low | 49.1 | Very low | 69 Ų | 69 | 117.5 Ų | 117.5 | 57% | 0.57 | 64% | 0.635 | S | S | * | * | trans | -65.8 | 129.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | G319 | A317-G319 PolarHBondContact O-N 3.21Š| ||
| 318 | P | 43.2 | Very low | 46.9 | Very low | 140 Ų | 140 | 122.2 Ų | 122.2 | 91% | 0.909 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -76.2 | 87.8 | 177.3 | 30.8 | -33.6 | 0 | 0 | 0 | 110.4 | ||
| 319 | G | 43 | Very low | 44.9 | Very low | 71 Ų | 71 | 122.3 Ų | 122.3 | 73% | 0.732 | 69% | 0.69 | S | S | * | * | S | Bend | trans | 103.7 | 114.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | A317 | A317-G319 PolarHBondContact O-N 3.21Š|
| 320 | G | 35.8 | Very low | 43.8 | Very low | 66 Ų | 66 | 130 Ų | 130 | 68% | 0.68 | 72% | 0.717 | S | S | * | * | trans | 150.2 | 116.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | I322 | G320-I322 PolarHBondContact O-N 3.23Å; G320-I322 VanDerWaalsContact O-N 3.17Å | ||
| 321 | M | 42.6 | Very low | 42.9 | Very low | 192 Ų | 192 | 130.4 Ų | 130.4 | 95% | 0.946 | 74% | 0.735 | S | S | * | * | trans | -67.7 | 107.6 | 175.7 | -70.3 | 147.3 | 50.6 | 0 | 0 | 110.3 | ||||
| 322 | I | 37.8 | Very low | 42.8 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 61% | 0.605 | 73% | 0.727 | S | S | * | * | trans | -94.5 | 95.2 | 164.4 | 52.9 | 172.1 | 0 | 0 | 0 | 109.6 | N315 G320 S324 | N315-I322 HydrophobicContact CB-CD1 4.45Å; G320-I322 PolarHBondContact O-N 3.23Å; G320-I322 VanDerWaalsContact O-N 3.17Å; I322-S324 PolarHBondContact O-N 3.34Å | ||
| 323 | N | 42.6 | Very low | 43.1 | Very low | 143 Ų | 143 | 131.2 Ų | 131.2 | 77% | 0.765 | 73% | 0.734 | S | S | * | * | trans | -71.4 | 107 | 172.9 | 178.9 | 7.6 | 0 | 0 | 0 | 109.6 | ||||
| 324 | S | 39.2 | Very low | 43.8 | Very low | 86 Ų | 86 | 133.8 Ų | 133.8 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | trans | -141.1 | 78.3 | 178.7 | 47 | 0 | 0 | 0 | 0 | 111.8 | I322 S326 | I322-S324 PolarHBondContact O-N 3.34Å; S324-S326 PolarHBondContact O-N 3.03Å | ||
| 325 | H | 43.9 | Very low | 44.4 | Very low | 185 Ų | 185 | 130.4 Ų | 130.4 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | trans | -64.6 | 74 | 165.6 | -85.1 | -94.4 | 0 | 0 | 0 | 111.7 | ||||
| 326 | S | 47 | Very low | 45.3 | Very low | 87 Ų | 87 | 130 Ų | 130 | 61% | 0.608 | 73% | 0.729 | S | S | * | * | trans | -146.3 | 105.1 | 177.6 | -74.2 | 0 | 0 | 0 | 0 | 111.1 | S324 | S324-S326 PolarHBondContact O-N 3.03Š| ||
| 327 | F | 41.9 | Very low | 46 | Very low | 210 Ų | 210 | 128.9 Ų | 128.9 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | S | Bend | trans | 68.6 | 61.4 | 163.5 | -48.8 | -72.1 | 0 | 0 | 0 | 119.3 | ||
| 328 | S | 35.2 | Very low | 47.2 | Very low | 112 Ų | 112 | 134 Ų | 134 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | trans | -157.7 | 126.2 | 135.3 | -166.9 | 0 | 0 | 0 | 0 | 111.9 | R330 | S328-R330 PolarHBondContact O-N 3.09Š| ||
| 329 | S | 42.2 | Very low | 47.9 | Very low | 132 Ų | 132 | 133.4 Ų | 133.4 | 92% | 0.923 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -83.5 | 46.7 | -174 | 50.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 330 | R | 50.8 | Low | 48.5 | Very low | 184 Ų | 184 | 140.5 Ų | 140.5 | 69% | 0.694 | 72% | 0.722 | S | S | * | * | trans | -142.2 | 57.3 | 177.9 | -152.8 | 174.3 | -161.2 | 147.6 | 5.6 | 113 | S328 Y332 | S328-R330 PolarHBondContact O-N 3.09Å; R330-Y332 WeakPolarHBondContact O-CD2 3.33Å; R330-Y332 PolarHBondContact O-N 2.9Å | ||
| 331 | A | 49 | Very low | 49.6 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 77% | 0.769 | 72% | 0.718 | S | S | * | * | trans | -56.6 | 122.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 332 | Y | 54.9 | Low | 50.1 | Low | 152 Ų | 152 | 137 Ų | 137 | 60% | 0.596 | 70% | 0.697 | S | S | * | * | trans | -76.2 | 152.2 | 176.7 | -71.2 | -93 | 0 | 0 | 0 | 109.6 | R330 F334 D335 | R330-Y332 WeakPolarHBondContact O-CD2 3.33Å; R330-Y332 PolarHBondContact O-N 2.9Å; Y332-F334 PolarHBondContact O-N 3.02Å; Y332-D335 WeakPolarHBondContact CB-OD2 3.46Å; Y332-D335 PolarHBondContact N-OD2 3.39Å; Y332-D335 PolarHBondContact O-N 3.06Å | ||
| 333 | F | 54.8 | Low | 50.7 | Low | 139 Ų | 139 | 139.3 Ų | 139.3 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.9 | -19.7 | -168.8 | -168.5 | -86.9 | 0 | 0 | 0 | 114.7 | R339 | F333-R339 VanDerWaalsContact CZ-NH1 3.26Å; F333-R339 PolarHBondContact O-NH1 3.39Å |
| 334 | F | 56.9 | Low | 51.1 | Low | 185 Ų | 185 | 139.6 Ų | 139.6 | 81% | 0.811 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | -7.6 | -175.9 | -60.7 | -81.5 | 0 | 0 | 0 | 114.7 | Y332 N336 | Y332-F334 PolarHBondContact O-N 3.02Å; F334-N336 VanDerWaalsContact C-N 3.3Å; F334-N336 PolarHBondContact O-N 3.23Å |
| 335 | D | 55.1 | Low | 51.4 | Low | 116 Ų | 116 | 142.1 Ų | 142.1 | 62% | 0.62 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -79.6 | -4.1 | -173.5 | -71.8 | -36.7 | 0 | 0 | 0 | 114.4 | Y332 P337 | Y332-D335 WeakPolarHBondContact CB-OD2 3.46Å; Y332-D335 PolarHBondContact N-OD2 3.39Å; Y332-D335 PolarHBondContact O-N 3.06Å; D335-P337 VanDerWaalsContact O-CD 3.3Å; D335-P337 WeakPolarHBondContact O-CD 3.47Å |
| 336 | N | 56.9 | Low | 51.6 | Low | 101 Ų | 101 | 141.8 Ų | 141.8 | 54% | 0.54 | 72% | 0.722 | S | S | . | * | trans | -109 | 95.7 | -178.4 | -170.8 | -2.6 | 0 | 0 | 0 | 111.7 | F334 R338 R339 | F334-N336 VanDerWaalsContact C-N 3.3Å; F334-N336 PolarHBondContact O-N 3.23Å; N336-R338 PolarHBondContact O-N 2.83Å; N336-R338 PolarHBondContact OD1-N 3.19Å; N336-R339 WeakPolarHBondContact O-CB 3.38Å; N336-R339 PolarHBondContact O-N 3.24Å | ||
| 337 | P | 61.3 | Low | 51.2 | Low | 126 Ų | 126 | 142.2 Ų | 142.2 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -13.3 | -175.5 | 28 | -35.5 | 0 | 0 | 0 | 114.2 | D335 | D335-P337 VanDerWaalsContact O-CD 3.3Å; D335-P337 WeakPolarHBondContact O-CD 3.47Å |
| 338 | R | 56.8 | Low | 51.5 | Low | 177 Ų | 177 | 142.7 Ų | 142.7 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 11.7 | 176.8 | -78.2 | -155 | 164 | 104.4 | 3.7 | 115 | N336 Y340 D341 | N336-R338 PolarHBondContact O-N 2.83Å; N336-R338 PolarHBondContact OD1-N 3.19Å; R338-Y340 PolarHBondContact O-N 2.96Å; R338-Y340 VanDerWaalsContact O-N 3.14Å; R338-D341 HydrophobicContact CB-CB 3.9Å; R338-D341 WeakPolarHBondContact CD-OD2 3.29Å; R338-D341 HydrophobicContact CG-CB 4.04Å; R338-D341 WeakPolarHBondContact CG-OD2 3.25Å; R338-D341 IonicContact CZ-OD2 4Å; R338-D341 IonicContact NE-OD2 2.8Å; R338-D341 PolarHBondContact NE-OD2 3.14Å; R338-D341 VanDerWaalsContact O-CB 3.25Å; R338-D341 WeakPolarHBondContact O-CB 3.38Å; R338-D341 PolarHBondContact O-N 3.28Å |
| 339 | R | 58.6 | Low | 51.5 | Low | 127 Ų | 127 | 142.3 Ų | 142.3 | 48% | 0.479 | 72% | 0.718 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | -12.7 | -176.8 | -164.5 | 168.9 | -173.3 | -177.2 | -0.7 | 115.1 | F333 N336 | F333-R339 VanDerWaalsContact CZ-NH1 3.26Å; F333-R339 PolarHBondContact O-NH1 3.39Å; N336-R339 WeakPolarHBondContact O-CB 3.38Å; N336-R339 PolarHBondContact O-N 3.24Å |
| 340 | Y | 54.7 | Low | 51.5 | Low | 220 Ų | 220 | 141.6 Ų | 141.6 | 86% | 0.863 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 12.7 | 173.5 | -60.7 | -77.9 | 0 | 0 | 0 | 112.3 | R338 S342 | R338-Y340 PolarHBondContact O-N 2.96Å; R338-Y340 VanDerWaalsContact O-N 3.14Å; Y340-S342 VanDerWaalsContact C-N 3.33Å |
| 341 | D | 60.3 | Low | 50.7 | Low | 114 Ų | 114 | 140.4 Ų | 140.4 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -99.6 | 24.8 | -174.4 | -138.8 | 27.1 | 0 | 0 | 0 | 110.6 | R338 | R338-D341 HydrophobicContact CB-CB 3.9Å; R338-D341 WeakPolarHBondContact CD-OD2 3.29Å; R338-D341 HydrophobicContact CG-CB 4.04Å; R338-D341 WeakPolarHBondContact CG-OD2 3.25Å; R338-D341 IonicContact CZ-OD2 4Å; R338-D341 IonicContact NE-OD2 2.8Å; R338-D341 PolarHBondContact NE-OD2 3.14Å; R338-D341 VanDerWaalsContact O-CB 3.25Å; R338-D341 WeakPolarHBondContact O-CB 3.38Å; R338-D341 PolarHBondContact O-N 3.28Å |
| 342 | S | 53.1 | Low | 49.9 | Very low | 70 Ų | 70 | 141.2 Ų | 141.2 | 49% | 0.49 | 71% | 0.71 | S | S | . | * | trans | -139.2 | 100.1 | -175.3 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | Y340 D344 | Y340-S342 VanDerWaalsContact C-N 3.33Å; S342-D344 PolarHBondContact O-N 2.96Å | ||
| 343 | D | 50.3 | Low | 49.2 | Very low | 167 Ų | 167 | 145.5 Ų | 145.5 | 89% | 0.893 | 73% | 0.725 | S | S | * | * | trans | -76.1 | 42 | 174.3 | -67 | -55.4 | 0 | 0 | 0 | 112.5 | D345 | D343-D345 PolarHBondContact O-N 3.22Š| ||
| 344 | D | 50.8 | Low | 48.1 | Very low | 149 Ų | 149 | 143.8 Ų | 143.8 | 80% | 0.797 | 73% | 0.731 | S | S | * | * | trans | -78.4 | 83.9 | -177.7 | -84 | -57.1 | 0 | 0 | 0 | 112.1 | S342 | S342-D344 PolarHBondContact O-N 2.96Š| ||
| 345 | D | 45.2 | Very low | 46.9 | Very low | 138 Ų | 138 | 142.4 Ų | 142.4 | 74% | 0.738 | 73% | 0.732 | S | S | * | * | trans | 13.8 | 123.5 | 158.6 | -90.6 | -44 | 0 | 0 | 0 | 120.8 | D343 S347 | D343-D345 PolarHBondContact O-N 3.22Å; D345-S347 PolarHBondContact O-N 2.89Å; D345-S347 PolarHBondContact O-OG 3.19Å | ||
| 346 | L | 48.4 | Very low | 46 | Very low | 178 Ų | 178 | 148 Ų | 148 | 93% | 0.932 | 74% | 0.744 | S | S | * | * | trans | -71.7 | 53.7 | 163.4 | -103.1 | 162.1 | 0 | 0 | 0 | 112.7 | R348 | L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 2.68Å | ||
| 347 | S | 38.7 | Very low | 44.7 | Very low | 97 Ų | 97 | 148 Ų | 148 | 68% | 0.678 | 76% | 0.759 | S | S | * | * | trans | -77.5 | 68.7 | -175.1 | 52.5 | 0 | 0 | 0 | 0 | 114 | D345 S349 | D345-S347 PolarHBondContact O-N 2.89Å; D345-S347 PolarHBondContact O-OG 3.19Å; S347-S349 PolarHBondContact O-N 2.79Å | ||
| 348 | R | 47.6 | Very low | 43.3 | Very low | 219 Ų | 219 | 146.9 Ų | 146.9 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -68.7 | 92.4 | -179.6 | -171 | -168 | -168.2 | -165.9 | 6 | 113.5 | L346 I350 | L346-R348 VanDerWaalsContact C-N 3.32Å; L346-R348 PolarHBondContact O-N 2.68Å; R348-I350 HydrophobicContact CG-CD1 4.4Å | ||
| 349 | S | 35.2 | Very low | 42 | Very low | 104 Ų | 104 | 145.6 Ų | 145.6 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -122.5 | 130.7 | 159.5 | 54.5 | 0 | 0 | 0 | 0 | 108.5 | S347 | S347-S349 PolarHBondContact O-N 2.79Š| ||
| 350 | I | 42.8 | Very low | 40.7 | Very low | 118 Ų | 118 | 146.8 Ų | 146.8 | 61% | 0.605 | 77% | 0.774 | S | S | * | * | cis | 72.5 | 116.4 | 25.6 | -49.8 | -178.4 | 0 | 0 | 0 | 112.6 | R348 | R348-I350 HydrophobicContact CG-CD1 4.4Š| ||
| 351 | N | 32.9 | Very low | 39.4 | Very low | 158 Ų | 158 | 141.2 Ų | 141.2 | 85% | 0.845 | 77% | 0.768 | S | S | * | * | trans | 72.3 | 138.1 | -170.8 | -58.7 | -18.6 | 0 | 0 | 0 | 114 | ||||
| 352 | S | 32.5 | Very low | 38 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | cis | -149.4 | 167.4 | -1.1 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 353 | R | 39.4 | Very low | 37.1 | Very low | 242 Ų | 242 | 144.4 Ų | 144.4 | 91% | 0.913 | 79% | 0.788 | S | S | * | * | trans | -74 | 170.4 | 165.9 | -79.9 | 173.1 | 158.9 | 174.5 | -7.4 | 110.5 | ||||
| 354 | S | 31.7 | Very low | 36.7 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | 92.3 | 137 | -172.4 | 75.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 355 | D | 32.1 | Very low | 35.7 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | cis | -148.8 | -176.5 | -6.4 | -130.6 | -47.1 | 0 | 0 | 0 | 114.2 | ||||
| 356 | R | 36.9 | Very low | 35 | Very low | 233 Ų | 233 | 147 Ų | 147 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -89.3 | 149 | -176.2 | -88.7 | 177.4 | 158.9 | 176.9 | -6.1 | 115.1 | ||||
| 357 | A | 28.9 | Very low | 34 | Very low | 102 Ų | 102 | 142.4 Ų | 142.4 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | 70.4 | 163.3 | 161.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 358 | S | 31.7 | Very low | 33.7 | Very low | 102 Ų | 102 | 144.4 Ų | 144.4 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | cis | -153.8 | 150.7 | 9 | 64.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 359 | L | 30.7 | Very low | 33.1 | Very low | 149 Ų | 149 | 139.2 Ų | 139.2 | 78% | 0.78 | 79% | 0.792 | S | S | * | * | trans | 45.1 | 128.4 | 143.6 | -59.5 | 172.7 | 0 | 0 | 0 | 123.6 | ||||
| 360 | L | 30.5 | Very low | 32.7 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | 55.8 | 118.4 | 138.8 | -71.1 | 161.6 | 0 | 0 | 0 | 121.5 | ||||
| 361 | S | 28.7 | Very low | 32.1 | Very low | 104 Ų | 104 | 145.8 Ų | 145.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | 169.9 | 155.9 | 95.4 | 48 | 0 | 0 | 0 | 0 | 116 | |||||
| 362 | T | 29.9 | Very low | 31.9 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 72% | 0.724 | 81% | 0.814 | S | S | * | * | trans | 49.6 | 104.1 | 154 | 46.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 363 | T | 34.3 | Very low | 32 | Very low | 132 Ų | 132 | 146.8 Ų | 146.8 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | 42.3 | 152.2 | 115.8 | 43.4 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 364 | P | 42.6 | Very low | 31.8 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -96.2 | 168.2 | -157.1 | 39.3 | -38.6 | 0 | 0 | 0 | 116.2 | ||||
| 365 | Q | 29.8 | Very low | 32 | Very low | 194 Ų | 194 | 143.6 Ų | 143.6 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | -131.1 | 148.2 | 162.1 | -78.1 | -166.5 | -25.6 | 0 | 0 | 112.7 | ||||
| 366 | M | 29.8 | Very low | 32 | Very low | 193 Ų | 193 | 145.7 Ų | 145.7 | 95% | 0.951 | 81% | 0.813 | S | S | * | * | trans | -104.3 | 130.4 | 165.7 | -68.5 | 167.8 | 56.6 | 0 | 0 | 109.2 | ||||
| 367 | A | 28.4 | Very low | 31.8 | Very low | 81 Ų | 81 | 145.5 Ų | 145.5 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | trans | -153.8 | 98.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 368 | T | 30.6 | Very low | 31.9 | Very low | 139 Ų | 139 | 148.9 Ų | 148.9 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | 67.1 | 125.1 | 104 | 56.9 | 0 | 0 | 0 | 0 | 116 | |||||
| 369 | S | 35 | Very low | 31.9 | Very low | 111 Ų | 111 | 146.9 Ų | 146.9 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | trans | -60.3 | 149.7 | 174.5 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 370 | S | 27.6 | Very low | 31.9 | Very low | 118 Ų | 118 | 145.1 Ų | 145.1 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | trans | -134.3 | 135.7 | 156.3 | -171.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 371 | W | 30.8 | Very low | 32.1 | Very low | 241 Ų | 241 | 146.1 Ų | 146.1 | 91% | 0.913 | 82% | 0.817 | S | S | * | * | trans | -117.6 | 110.7 | 174.6 | -89.4 | 66.1 | 0 | 0 | 0 | 108.2 | ||||
| 372 | Y | 28.6 | Very low | 32.2 | Very low | 229 Ų | 229 | 145.2 Ų | 145.2 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -166.1 | 149 | 160.2 | -126.2 | -99.2 | 0 | 0 | 0 | 107.9 | ||||
| 373 | G | 34 | Very low | 32.8 | Very low | 61 Ų | 61 | 145.9 Ų | 145.9 | 63% | 0.629 | 82% | 0.822 | S | S | * | * | cis | 132.6 | 51.4 | -2.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 374 | S | 34.8 | Very low | 32.6 | Very low | 120 Ų | 120 | 143 Ų | 143 | 84% | 0.839 | 82% | 0.819 | S | S | * | * | trans | -135.1 | 125.8 | 179 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 375 | I | 37.4 | Very low | 32.1 | Very low | 157 Ų | 157 | 144 Ų | 144 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | trans | -92.3 | 143.5 | 169.3 | -63.1 | 168.2 | 0 | 0 | 0 | 108.2 | R377 | I375-R377 HydrophobicContact CG2-CB 4.46Š| ||
| 376 | Q | 30.8 | Very low | 32 | Very low | 202 Ų | 202 | 139.2 Ų | 139.2 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | trans | -131.7 | 138.9 | 150.7 | -109.1 | -178.2 | -1.8 | 0 | 0 | 111.4 | ||||
| 377 | R | 32.9 | Very low | 32 | Very low | 229 Ų | 229 | 136.1 Ų | 136.1 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | trans | -142 | 118.1 | -172 | 173.4 | -169.8 | -178.5 | -170.9 | 2 | 107.9 | I375 | I375-R377 HydrophobicContact CG2-CB 4.46Š| ||
| 378 | N | 30.8 | Very low | 32.2 | Very low | 173 Ų | 173 | 136 Ų | 136 | 93% | 0.925 | 81% | 0.813 | S | S | * | * | trans | -158.8 | 149.8 | 164.4 | -94.5 | -21.6 | 0 | 0 | 0 | 107.4 | ||||
| 379 | G | 31.4 | Very low | 32.3 | Very low | 60 Ų | 60 | 138.7 Ų | 138.7 | 62% | 0.619 | 82% | 0.815 | S | S | * | * | cis | 173.4 | 109.1 | -6.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 380 | S | 31.6 | Very low | 32.3 | Very low | 111 Ų | 111 | 142.1 Ų | 142.1 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | 28 | 126.8 | 156.1 | 58.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 381 | L | 34.1 | Very low | 33.1 | Very low | 173 Ų | 173 | 142.4 Ų | 142.4 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | 179.1 | 153.7 | 108.9 | -94.1 | 160.1 | 0 | 0 | 0 | 113.4 | |||||
| 382 | A | 31.4 | Very low | 33.7 | Very low | 86 Ų | 86 | 136.3 Ų | 136.3 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -152.6 | 169.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 383 | P | 42 | Very low | 34.1 | Very low | 132 Ų | 132 | 131.6 Ų | 131.6 | 86% | 0.857 | 81% | 0.807 | S | S | * | * | cis | -129.4 | -179.1 | 7.4 | 42.3 | -26.8 | 0 | 0 | 0 | 114.7 | ||||
| 384 | G | 30.3 | Very low | 34.1 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | 169.8 | 77 | 169.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 385 | V | 31.2 | Very low | 34.3 | Very low | 142 Ų | 142 | 135.2 Ų | 135.2 | 86% | 0.861 | 82% | 0.817 | S | S | * | * | trans | 39.9 | 114.7 | 144.6 | -172.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 386 | A | 28.8 | Very low | 34.4 | Very low | 95 Ų | 95 | 131.9 Ų | 131.9 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | 58.1 | 118.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 387 | S | 30.2 | Very low | 35.2 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | -161.3 | 174.4 | 111.2 | -161.2 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 388 | A | 31.6 | Very low | 35.2 | Very low | 80 Ų | 80 | 124.4 Ų | 124.4 | 66% | 0.661 | 80% | 0.803 | S | S | * | * | trans | -77 | 148.1 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 389 | Q | 33.4 | Very low | 35.2 | Very low | 194 Ų | 194 | 124.4 Ų | 124.4 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | -175.8 | 150.8 | 108.3 | -98 | 168 | -70.3 | 0 | 0 | 112.5 | |||||
| 390 | Q | 34.4 | Very low | 35.3 | Very low | 184 Ų | 184 | 130.1 Ų | 130.1 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -87.4 | 161.3 | 169.9 | -60.4 | 172.8 | -84.2 | 0 | 0 | 110.1 | ||||
| 391 | P | 43.7 | Very low | 35.3 | Very low | 123 Ų | 123 | 129.8 Ų | 129.8 | 80% | 0.799 | 81% | 0.814 | S | S | * | * | -138.4 | -159.1 | 98 | 47.5 | -34.7 | 0 | 0 | 0 | 110.7 | |||||
| 392 | P | 45.1 | Very low | 35.1 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 81% | 0.813 | S | S | * | * | trans | -107.5 | 162.4 | -134.8 | 14.1 | 11.4 | 0 | 0 | 0 | 115.1 | ||||
| 393 | P | 36 | Very low | 35 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -77 | 147.5 | 171.4 | 33.1 | -34.5 | 0 | 0 | 0 | 111.9 | ||||
| 394 | S | 34 | Very low | 34.5 | Very low | 124 Ų | 124 | 131 Ų | 131 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -125.5 | 142.2 | 165 | -167.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 395 | T | 38.6 | Very low | 34.7 | Very low | 134 Ų | 134 | 134.3 Ų | 134.3 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 129.2 | -157.1 | -53.1 | 0 | 0 | 0 | 0 | 113.7 | ||
| 396 | A | 40.9 | Very low | 34.8 | Very low | 87 Ų | 87 | 136.1 Ų | 136.1 | 72% | 0.719 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 128.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 397 | P | 46.3 | Very low | 34.8 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 116.6 | 174.5 | 31 | -31.6 | 0 | 0 | 0 | 111.2 | ||
| 398 | L | 33.3 | Very low | 35 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 128.8 | 165 | -69.2 | 167.2 | 0 | 0 | 0 | 109.5 | ||
| 399 | L | 30.1 | Very low | 34.9 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | trans | -109 | 123.4 | 162 | -86.4 | 171.6 | 0 | 0 | 0 | 109.4 | ||||
| 400 | F | 33.8 | Very low | 34.9 | Very low | 181 Ų | 181 | 141.9 Ų | 141.9 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | -76.5 | 143.9 | -175.4 | -80.4 | -104.3 | 0 | 0 | 0 | 112 | ||||
| 401 | A | 32.5 | Very low | 34.8 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -102.9 | 98.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 402 | Q | 29.9 | Very low | 34.3 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -162.6 | 143.8 | 171.5 | -133.7 | 163.4 | -18.3 | 0 | 0 | 109.4 | ||||
| 403 | G | 29.8 | Very low | 33.8 | Very low | 64 Ų | 64 | 142.5 Ų | 142.5 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | cis | 172.5 | 104.3 | -10.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 404 | N | 31.1 | Very low | 33.5 | Very low | 160 Ų | 160 | 144 Ų | 144 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | 72.7 | 178.4 | 161.8 | -155.1 | 12.9 | 0 | 0 | 0 | 118.6 | ||||
| 405 | I | 33.7 | Very low | 33.4 | Very low | 142 Ų | 142 | 145.7 Ų | 145.7 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | 91.1 | 68.7 | 171.6 | -44.3 | 178 | 0 | 0 | 0 | 117 | ||||
| 406 | Q | 34.4 | Very low | 33 | Very low | 179 Ų | 179 | 149.9 Ų | 149.9 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | 9.1 | 120 | 121.4 | -177.7 | -179.2 | 9.7 | 0 | 0 | 119.1 | |||||
| 407 | S | 28.9 | Very low | 32.5 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | -170.1 | 155.4 | 138.5 | 42.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 408 | H | 33.9 | Very low | 32 | Very low | 166 Ų | 166 | 150.6 Ų | 150.6 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | trans | -75.4 | 159.9 | 170.4 | -80.1 | -115.1 | 0 | 0 | 0 | 111.5 | ||||
| 409 | H | 29.9 | Very low | 32.4 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 86% | 0.856 | 78% | 0.776 | S | S | * | * | trans | -149.3 | 153.2 | 138.4 | -112.4 | 69.2 | 0 | 0 | 0 | 112.8 | ||||
| 410 | H | 32.7 | Very low | 32.6 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 71% | 0.713 | 78% | 0.775 | S | S | * | * | trans | -123.3 | -176.3 | 174.4 | -97.8 | -61.1 | 0 | 0 | 0 | 109.4 | ||||
| 411 | H | 33.3 | Very low | 32.5 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | trans | 78.9 | 153.7 | -178.5 | -45.4 | -52.9 | 0 | 0 | 0 | 114.3 | H413 | H411-H413 AromaticContact ND1-CD2 3.77Š| ||
| 412 | H | 33.2 | Very low | 32.3 | Very low | 176 Ų | 176 | 150 Ų | 150 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | cis | -117.6 | 148.5 | 7.6 | -65 | -102.7 | 0 | 0 | 0 | 110.6 | ||||
| 413 | H | 32.7 | Very low | 32.4 | Very low | 120 Ų | 120 | 147.4 Ų | 147.4 | 56% | 0.556 | 76% | 0.76 | S | S | * | * | 69.1 | 119.2 | 54.6 | -88.3 | -71.6 | 0 | 0 | 0 | 116 | H411 Y415 | H411-H413 AromaticContact ND1-CD2 3.77Å; H413-Y415 PolarHBondContact CE1-OH 3.43Å; H413-Y415 AromaticContact ND1-CE2 3.56Å; H413-Y415 AromaticContact ND1-CZ 3.81Å | |||
| 414 | N | 31.4 | Very low | 32.4 | Very low | 161 Ų | 161 | 154.7 Ų | 154.7 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | -154.4 | 157.6 | 150.7 | -129.4 | -14.3 | 0 | 0 | 0 | 111.2 | ||||
| 415 | Y | 30.7 | Very low | 32.3 | Very low | 160 Ų | 160 | 154.3 Ų | 154.3 | 63% | 0.627 | 76% | 0.762 | S | S | * | * | trans | -120.4 | -179.7 | -174.9 | -68.2 | -97.3 | 0 | 0 | 0 | 109.5 | H413 | H413-Y415 PolarHBondContact CE1-OH 3.43Å; H413-Y415 AromaticContact ND1-CE2 3.56Å; H413-Y415 AromaticContact ND1-CZ 3.81Å | ||
| 416 | Y | 30.5 | Very low | 32.1 | Very low | 221 Ų | 221 | 154.8 Ų | 154.8 | 87% | 0.867 | 76% | 0.761 | S | S | * | * | cis | -133.9 | -148.6 | 19.5 | -125 | -86.8 | 0 | 0 | 0 | 112.6 | ||||
| 417 | S | 31.2 | Very low | 31.9 | Very low | 88 Ų | 88 | 153 Ų | 153 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | trans | -140 | 169 | -134.1 | -52.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 418 | T | 36.1 | Very low | 31.9 | Very low | 136 Ų | 136 | 155.2 Ų | 155.2 | 83% | 0.834 | 75% | 0.75 | S | S | * | * | trans | -66.1 | 154.3 | 177.9 | 50.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 419 | P | 40.1 | Very low | 31.7 | Very low | 128 Ų | 128 | 155.2 Ų | 155.2 | 83% | 0.831 | 75% | 0.75 | S | S | * | * | trans | -121.6 | 167.8 | 147.2 | 37.5 | -27.7 | 0 | 0 | 0 | 113.4 | ||||
| 420 | Q | 34.4 | Very low | 31.7 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 88% | 0.883 | 74% | 0.737 | S | S | * | * | trans | -107.5 | 144.8 | -178.5 | -70.4 | 172 | -99.4 | 0 | 0 | 113.5 | ||||
| 421 | N | 31.4 | Very low | 31.7 | Very low | 132 Ų | 132 | 149.5 Ų | 149.5 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 29.6 | 123.1 | 139.7 | -175.4 | 62.3 | 0 | 0 | 0 | 121.2 | ||||
| 422 | N | 28.7 | Very low | 31.6 | Very low | 148 Ų | 148 | 153.5 Ų | 153.5 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | -161.5 | 162.8 | 127.5 | -115.5 | -21.2 | 0 | 0 | 0 | 114.2 | |||||
| 423 | N | 31.7 | Very low | 31.5 | Very low | 136 Ų | 136 | 156.3 Ų | 156.3 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -72.3 | 155 | -179.6 | -81.6 | -36.3 | 0 | 0 | 0 | 114.3 | ||||
| 424 | Y | 29.7 | Very low | 31.5 | Very low | 218 Ų | 218 | 156 Ų | 156 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | -170.1 | 171.6 | 113.5 | -102.8 | -67.9 | 0 | 0 | 0 | 112 | |||||
| 425 | Q | 29.7 | Very low | 31.8 | Very low | 151 Ų | 151 | 154.3 Ų | 154.3 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -91.8 | 149.1 | -168 | -58.3 | 142.7 | -93.6 | 0 | 0 | 113.5 | ||||
| 426 | H | 30 | Very low | 32.3 | Very low | 152 Ų | 152 | 152.7 Ų | 152.7 | 70% | 0.704 | 77% | 0.77 | S | S | * | * | -178.3 | 148.9 | 107.5 | -106.8 | -86.4 | 0 | 0 | 0 | 115.6 | |||||
| 427 | H | 29.5 | Very low | 32.4 | Very low | 142 Ų | 142 | 149.3 Ų | 149.3 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | trans | 24.8 | 133.6 | 156.1 | -65.5 | -24.1 | 0 | 0 | 0 | 125.1 | ||||
| 428 | Q | 28.6 | Very low | 32.4 | Very low | 159 Ų | 159 | 153 Ų | 153 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | trans | 58.3 | 142.2 | 131.5 | -58.9 | 179.4 | 7.1 | 0 | 0 | 119 | ||||
| 429 | H | 29.7 | Very low | 32.1 | Very low | 165 Ų | 165 | 155.6 Ų | 155.6 | 76% | 0.764 | 77% | 0.771 | S | S | * | * | cis | -152.5 | -165.6 | 37.3 | -144.7 | 88.6 | 0 | 0 | 0 | 112.8 | ||||
| 430 | S | 30.7 | Very low | 31.7 | Very low | 83 Ų | 83 | 160.6 Ų | 160.6 | 58% | 0.58 | 78% | 0.775 | S | S | * | * | trans | -87.6 | 163.6 | -160.2 | -44.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 431 | N | 31.5 | Very low | 31.6 | Very low | 137 Ų | 137 | 157.7 Ų | 157.7 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | trans | 59.9 | 119.3 | 150.4 | -61.3 | -11.9 | 0 | 0 | 0 | 120.1 | ||||
| 432 | Y | 31.8 | Very low | 31.5 | Very low | 221 Ų | 221 | 154.7 Ų | 154.7 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | -176.5 | 133.5 | 99.9 | -99.1 | -73 | 0 | 0 | 0 | 109.6 | |||||
| 433 | Y | 31.9 | Very low | 31.6 | Very low | 236 Ų | 236 | 153.6 Ų | 153.6 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -124.7 | 124.8 | 171.4 | -104.3 | -79.4 | 0 | 0 | 0 | 109.6 | ||||
| 434 | S | 31.3 | Very low | 31.7 | Very low | 113 Ų | 113 | 155.6 Ų | 155.6 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | -118.9 | 140.6 | 172.1 | -64.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 435 | T | 39.1 | Very low | 31.9 | Very low | 126 Ų | 126 | 151.1 Ų | 151.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -76.3 | 170.2 | 174.4 | 51.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 436 | P | 40.1 | Very low | 32.2 | Very low | 126 Ų | 126 | 154.4 Ų | 154.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | -135.9 | 145.6 | 100.7 | 35.1 | -24.3 | 0 | 0 | 0 | 114.1 | |||||
| 437 | Q | 33.8 | Very low | 32.4 | Very low | 150 Ų | 150 | 156.5 Ų | 156.5 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | trans | -75.4 | 161.3 | 160.1 | -65.3 | 171.2 | -44.4 | 0 | 0 | 109.8 | ||||
| 438 | N | 30 | Very low | 32.6 | Very low | 165 Ų | 165 | 156 Ų | 156 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -144.3 | 153.2 | 155.2 | -130.7 | -43.1 | 0 | 0 | 0 | 111.7 | ||||
| 439 | Y | 31.4 | Very low | 32.8 | Very low | 191 Ų | 191 | 154.5 Ų | 154.5 | 75% | 0.749 | 81% | 0.806 | S | S | * | * | trans | -96 | 154.1 | -151.1 | -91.2 | -108.3 | 0 | 0 | 0 | 115.6 | ||||
| 440 | Y | 31.1 | Very low | 33.5 | Very low | 232 Ų | 232 | 152.7 Ų | 152.7 | 91% | 0.91 | 81% | 0.809 | S | S | * | * | trans | -65.5 | 148.2 | 157.1 | -92.8 | -103.6 | 0 | 0 | 0 | 110.6 | ||||
| 441 | C | 31.3 | Very low | 34.1 | Very low | 129 Ų | 129 | 157.4 Ų | 157.4 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -130.5 | 127.3 | 161.9 | -164.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 442 | G | 30.4 | Very low | 34.7 | Very low | 69 Ų | 69 | 161.6 Ų | 161.6 | 71% | 0.711 | 85% | 0.845 | S | S | * | * | trans | -104.2 | 149.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 443 | S | 30.8 | Very low | 34.8 | Very low | 125 Ų | 125 | 158.6 Ų | 158.6 | 87% | 0.874 | 84% | 0.843 | S | S | * | * | trans | -78.2 | 128.3 | -180 | 54.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 444 | Q | 32.4 | Very low | 34.9 | Very low | 177 Ų | 177 | 154.5 Ų | 154.5 | 83% | 0.827 | 84% | 0.839 | S | S | * | * | trans | -125.2 | 149.4 | 159.2 | -78.9 | -166.5 | -12.4 | 0 | 0 | 111.4 | ||||
| 445 | T | 35.9 | Very low | 35.2 | Very low | 125 Ų | 125 | 156.8 Ų | 156.8 | 77% | 0.767 | 84% | 0.842 | S | S | * | * | trans | -93 | 138.2 | -175.3 | 46.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 446 | Y | 34.3 | Very low | 34.9 | Very low | 219 Ų | 219 | 158.6 Ų | 158.6 | 86% | 0.859 | 85% | 0.846 | S | S | * | * | trans | -140.7 | 145.8 | 153.7 | -82.4 | -72.5 | 0 | 0 | 0 | 111.9 | ||||
| 447 | F | 34.4 | Very low | 34.6 | Very low | 196 Ų | 196 | 160.7 Ų | 160.7 | 86% | 0.86 | 85% | 0.848 | S | S | * | * | trans | -83.6 | 148 | 170.7 | -86.2 | -111.9 | 0 | 0 | 0 | 110.2 | ||||
| 448 | C | 33.8 | Very low | 34.6 | Very low | 133 Ų | 133 | 161.4 Ų | 161.4 | 90% | 0.899 | 86% | 0.857 | S | S | * | * | trans | -134.4 | 134.1 | 154.3 | -80.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 449 | T | 34.2 | Very low | 35 | Very low | 126 Ų | 126 | 161.1 Ų | 161.1 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | trans | -89.8 | 155.3 | 173.3 | 42.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 450 | P | 44.2 | Very low | 35.3 | Very low | 127 Ų | 127 | 158.8 Ų | 158.8 | 83% | 0.825 | 86% | 0.864 | S | S | * | * | trans | -80.7 | 131 | 176.3 | 32.1 | -33.5 | 0 | 0 | 0 | 112.7 | ||||
| 451 | Q | 42.9 | Very low | 35.6 | Very low | 182 Ų | 182 | 152.8 Ų | 152.8 | 85% | 0.85 | 86% | 0.86 | S | S | * | * | trans | -137.2 | 142.7 | 149.2 | -72.9 | -178.6 | -36.7 | 0 | 0 | 105.5 | ||||
| 452 | N | 42.6 | Very low | 36 | Very low | 225 Ų | 225 | 154.9 Ų | 154.9 | 100% | 1.203 | 86% | 0.859 | S | S | * | * | cis | -141.7 | 0 | 5.1 | -151.6 | 41.3 | 0 | 0 | 0 | 109.3 |
Retrieved 452 of 452 residues in 1426.6 ms
(Link to these results)