| 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 | 37.7 | Very low | 33.9 | Very low | 248 Ų | 248 | 146.8 Ų | 146.8 | 100% | 1.222 | 86% | 0.856 | S | S | * | * | 0 | 140.4 | 0 | -82.4 | 163.5 | 161.6 | 0 | 0 | 108.3 | |||||
| 2 | G | 34.3 | Very low | 33.4 | Very low | 71 Ų | 71 | 141.1 Ų | 141.1 | 73% | 0.732 | 85% | 0.852 | S | S | * | * | trans | -60.4 | -176 | -158.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 3 | T | 36.3 | Very low | 33.1 | Very low | 152 Ų | 152 | 146.6 Ų | 146.6 | 93% | 0.933 | 86% | 0.858 | S | S | * | * | cis | -174.6 | 155.4 | 5 | 24 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 4 | G | 32.5 | Very low | 33.2 | Very low | 85 Ų | 85 | 141.3 Ų | 141.3 | 88% | 0.876 | 85% | 0.849 | S | S | * | * | trans | 114.2 | 120.2 | 148.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 5 | G | 32.1 | Very low | 32.8 | Very low | 73 Ų | 73 | 141.3 Ų | 141.3 | 75% | 0.753 | 85% | 0.851 | S | S | * | * | cis | 141.8 | 102.6 | 14 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 6 | R | 36.1 | Very low | 32.6 | Very low | 217 Ų | 217 | 144.2 Ų | 144.2 | 82% | 0.819 | 85% | 0.852 | S | S | * | * | 36.6 | 135.2 | 116.3 | -82 | 180 | 177.9 | 177.6 | 3.1 | 114.1 | |||||
| 7 | R | 31 | Very low | 32.7 | Very low | 199 Ų | 199 | 140.7 Ų | 140.7 | 75% | 0.751 | 85% | 0.854 | S | S | * | * | cis | -176.3 | 149.3 | 37.2 | -132.2 | 169.5 | -153.1 | -177.8 | 4.5 | 107.7 | ||||
| 8 | G | 36.5 | Very low | 32.5 | Very low | 69 Ų | 69 | 138.3 Ų | 138.3 | 71% | 0.711 | 85% | 0.851 | S | S | * | * | trans | -72.2 | 162.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 9 | T | 29.2 | Very low | 32.4 | Very low | 147 Ų | 147 | 136 Ų | 136 | 90% | 0.902 | 85% | 0.847 | S | S | * | * | trans | -145.4 | 135.4 | 159.1 | -24.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 10 | R | 32.8 | Very low | 32.5 | Very low | 234 Ų | 234 | 135.7 Ų | 135.7 | 88% | 0.883 | 85% | 0.845 | S | S | * | * | trans | -101.4 | 152.6 | -178.6 | -170.2 | -174.3 | -174.6 | -178.5 | 2.6 | 109 | ||||
| 11 | S | 34.3 | Very low | 32.7 | Very low | 120 Ų | 120 | 135.6 Ų | 135.6 | 84% | 0.839 | 84% | 0.843 | S | S | * | * | trans | 93.3 | 132.5 | 146.6 | -150.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 12 | G | 27.9 | Very low | 32.7 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -175.9 | 104.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 13 | K | 30.1 | Very low | 33.2 | Very low | 213 Ų | 213 | 127.9 Ų | 127.9 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | trans | -81.5 | 152.8 | 179 | -152.7 | 174.7 | -177.8 | -177.6 | 0 | 109.6 | ||||
| 14 | G | 33.4 | Very low | 34 | Very low | 72 Ų | 72 | 126 Ų | 126 | 74% | 0.742 | 80% | 0.797 | S | S | * | * | trans | -79.6 | 174.3 | -157 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 15 | T | 27.3 | Very low | 35.5 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 87% | 0.865 | 77% | 0.772 | S | S | * | * | trans | -159.8 | 162.7 | 155.2 | 3.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 16 | E | 29.6 | Very low | 37.8 | Very low | 188 Ų | 188 | 125.8 Ų | 125.8 | 88% | 0.879 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -63.7 | 158.2 | -157.3 | -62.8 | 151.8 | 136.4 | 0 | 0 | 116.8 | ||
| 17 | G | 35.2 | Very low | 40.3 | Very low | 85 Ų | 85 | 118.5 Ų | 118.5 | 88% | 0.876 | 73% | 0.734 | S | S | * | * | trans | 71.9 | 68 | 150.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 18 | A | 28.6 | Very low | 43.1 | Very low | 97 Ų | 97 | 112 Ų | 112 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | trans | -127.8 | 114.7 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | T20 | A18-T20 PolarHBondContact O-N 2.88Š| ||
| 19 | A | 31.6 | Very low | 45.7 | Very low | 95 Ų | 95 | 108.7 Ų | 108.7 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | trans | -40.1 | 122.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V21 | A19-V21 VanDerWaalsContact C-N 3.29Å; A19-V21 PolarHBondContact O-N 2.83Å | ||
| 20 | T | 33.7 | Very low | 48.7 | Very low | 130 Ų | 130 | 101.7 Ų | 101.7 | 80% | 0.798 | 63% | 0.633 | S | S | * | * | trans | -56.8 | 99.7 | 161.2 | 40.4 | 0 | 0 | 0 | 0 | 107.4 | A18 A22 | A18-T20 PolarHBondContact O-N 2.88Å; T20-A22 VanDerWaalsContact C-N 3.26Å; T20-A22 PolarHBondContact O-N 2.65Å | ||
| 21 | V | 36.2 | Very low | 51.5 | Low | 134 Ų | 134 | 92.9 Ų | 92.9 | 81% | 0.812 | 60% | 0.602 | S | S | * | * | trans | -56.2 | 102.2 | 159.3 | 177.6 | 0 | 0 | 0 | 0 | 104.5 | A19 S23 | A19-V21 VanDerWaalsContact C-N 3.29Å; A19-V21 PolarHBondContact O-N 2.83Å; V21-S23 PolarHBondContact O-N 3.25Å | ||
| 22 | A | 38.7 | Very low | 54.1 | Low | 70 Ų | 70 | 88.9 Ų | 88.9 | 58% | 0.579 | 57% | 0.574 | S | S | * | * | trans | -65.4 | 100.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | T20 | T20-A22 VanDerWaalsContact C-N 3.26Å; T20-A22 PolarHBondContact O-N 2.65Å | ||
| 23 | S | 44.2 | Very low | 57 | Low | 86 Ų | 86 | 86.1 Ų | 86.1 | 60% | 0.601 | 54% | 0.54 | S | S | * | . | trans | -47.6 | 133.9 | 160.9 | -62.4 | 0 | 0 | 0 | 0 | 107.7 | V21 C25 | V21-S23 PolarHBondContact O-N 3.25Å; S23-C25 PolarHBondContact O-N 3.17Å; S23-C25 VanDerWaalsContact O-N 3.12Å | ||
| 24 | P | 53.7 | Low | 59.8 | Low | 112 Ų | 112 | 83.3 Ų | 83.3 | 73% | 0.727 | 52% | 0.524 | S | S | * | . | trans | -55.6 | 125.3 | -175.5 | 20.4 | -30.7 | 0 | 0 | 0 | 109 | L26 | P24-L26 VanDerWaalsContact C-N 3.33Å; P24-L26 PolarHBondContact O-N 2.92Å | ||
| 25 | C | 62.4 | Low | 62.4 | Low | 52 Ų | 52 | 85.7 Ų | 85.7 | 35% | 0.351 | 52% | 0.515 | S | S | . | . | trans | -62.2 | 95.3 | 176.3 | -66.1 | 0 | 0 | 0 | 0 | 109 | S23 E35 | S23-C25 PolarHBondContact O-N 3.17Å; S23-C25 VanDerWaalsContact O-N 3.12Å; C25-E35 HydrophobicContact CB-CB 3.78Å; C25-E35 HydrophobicContact CB-CG 4.19Å | ||
| 26 | L | 81 | Confident | 65.2 | Low | 102 Ų | 102 | 79.5 Ų | 79.5 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | trans | -80.1 | -23.8 | -172.5 | -167.4 | 68.8 | 0 | 0 | 0 | 112.3 | P24 | P24-L26 VanDerWaalsContact C-N 3.33Å; P24-L26 PolarHBondContact O-N 2.92Å | ||
| 27 | Y | 88.1 | Confident | 67.7 | Low | 64 Ų | 64 | 75.7 Ų | 75.7 | 25% | 0.251 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 163.4 | -167.6 | -57.9 | -69.9 | 0 | 0 | 0 | 112.7 | E35 A36 L39 N89 | Y27-E35 WeakPolarHBondContact O-CA 3.47Å; Y27-A36 PolarHBondContact N-O 3.31Å; Y27-A36 PolarHBondContact O-N 3.45Å; Y27-L39 HydrophobicContact CD1-CD1 3.57Å; Y27-L39 HydrophobicContact CD1-CD2 4.01Å; Y27-L39 HydrophobicContact CD1-CG 3.67Å; Y27-L39 HydrophobicContact CD2-CD2 4.48Å; Y27-L39 HydrophobicContact CD2-CG 3.94Å; Y27-L39 HydrophobicContact CE1-CD1 3.58Å; Y27-L39 HydrophobicContact CE1-CG 4Å; Y27-L39 HydrophobicContact CE2-CG 4.24Å; Y27-L39 HydrophobicContact CG-CD1 4.08Å; Y27-L39 HydrophobicContact CG-CD2 3.83Å; Y27-L39 HydrophobicContact CG-CG 3.63Å; Y27-N89 HydrophobicContact CD1-CB 4.38Å |
| 28 | R | 89.9 | Confident | 69.9 | Low | 62 Ų | 62 | 74.6 Ų | 74.6 | 23% | 0.234 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 143.1 | 174.1 | -67.8 | -164.7 | 176.2 | -175.5 | -2.2 | 112 | I30 N33 R34 F88 N89 | R28-I30 PolarHBondContact O-N 2.87Å; R28-N33 VanDerWaalsContact CD-OD1 3.3Å; R28-N33 WeakPolarHBondContact CD-OD1 3.24Å; R28-N33 PolarHBondContact NH1-OD1 2.82Å; R28-R34 WeakPolarHBondContact CA-O 3.3Å; R28-F88 HydrophobicContact CB-CB 4.04Å; R28-F88 HydrophobicContact CB-CG 4.24Å; R28-F88 HydrophobicContact CG-CB 4.29Å; R28-F88 HydrophobicContact CG-CD1 4.22Å; R28-F88 HydrophobicContact CG-CG 4.25Å; R28-N89 PolarHBondContact N-OD1 3.03Å; R28-N89 PolarHBondContact O-ND2 3.07Å; R28-N89 PolarHBondContact O-OD1 2.98Å |
| 29 | C | 91.8 | Very high | 72.5 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | trans | -67.8 | 129.1 | 174.3 | 176.5 | 0 | 0 | 0 | 0 | 111.2 | E31 C32 N33 R34 C53 V60 | C29-E31 PolarHBondContact O-N 3.12Å; C29-E31 PolarHBondContact SG-N 2.89Å; C29-E31 VanDerWaalsContact SG-N 3.43Å; C29-C32 VanDerWaalsContact SG-SG 3.69Å; C29-N33 VanDerWaalsContact O-CA 3.26Å; C29-N33 WeakPolarHBondContact O-CA 3.5Å; C29-N33 PolarHBondContact O-N 3.43Å; C29-R34 PolarHBondContact N-O 3.37Å; C29-C53 HydrophobicContact CB-CB 4.35Å; C29-V60 WeakPolarHBondContact CA-O 3.26Å; C29-V60 HydrophobicContact CB-CG1 4.48Å | ||
| 30 | I | 93.1 | Very high | 74.8 | Confident | 1 Ų | 1 | 71.2 Ų | 71.2 | 1% | 0.005 | 38% | 0.381 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -17.4 | -179.7 | 68.5 | 174.7 | 0 | 0 | 0 | 113.3 | R28 V60 D61 K62 Y63 Q81 R84 H85 | R28-I30 PolarHBondContact O-N 2.87Å; I30-V60 WeakPolarHBondContact CG1-O 3.46Å; I30-V60 PolarHBondContact N-O 2.72Å; I30-D61 HydrophobicContact CG2-CB 4.01Å; I30-K62 HydrophobicContact CD1-CD 4.38Å; I30-K62 HydrophobicContact CD1-CG 3.87Å; I30-Y63 HydrophobicContact CD1-CD2 3.84Å; I30-Y63 HydrophobicContact CD1-CE2 3.88Å; I30-Q81 HydrophobicContact CB-CB 4.3Å; I30-Q81 HydrophobicContact CD1-CB 4.26Å; I30-Q81 HydrophobicContact CG1-CB 4.45Å; I30-R84 HydrophobicContact CB-CB 4.35Å; I30-R84 HydrophobicContact CG2-CB 4.31Å; I30-R84 WeakPolarHBondContact O-CD 3.45Å; I30-R84 PolarHBondContact O-NH1 2.69Å; I30-H85 HydrophobicContact CG2-CB 4.21Å |
| 31 | E | 91.3 | Very high | 76.9 | Confident | 48 Ų | 48 | 70.8 Ų | 70.8 | 22% | 0.224 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -54.2 | -178.6 | -61.9 | -63.2 | 166.7 | 0 | 0 | 112.3 | C29 K58 Q81 R84 | C29-E31 PolarHBondContact O-N 3.12Å; C29-E31 PolarHBondContact SG-N 2.89Å; C29-E31 VanDerWaalsContact SG-N 3.43Å; E31-K58 HydrophobicContact CB-CD 4.34Å; E31-K58 HydrophobicContact CG-CB 4.06Å; E31-K58 HydrophobicContact CG-CD 3.85Å; E31-Q81 VanDerWaalsContact OE1-CD 3.25Å; E31-Q81 PolarHBondContact OE1-NE2 2.95Å; E31-Q81 PolarHBondContact OE2-NE2 2.84Å; E31-R84 VanDerWaalsContact C-NH1 3.34Å; E31-R84 PolarHBondContact O-NH1 2.76Å |
| 32 | C | 89.4 | Confident | 78.8 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 25% | 0.25 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -1.8 | -172.1 | 68.8 | 0 | 0 | 0 | 0 | 114.6 | C29 R34 C56 | C29-C32 VanDerWaalsContact SG-SG 3.69Å; C32-R34 PolarHBondContact O-N 3.28Å; C32-C56 HydrophobicContact CB-CB 4.05Å |
| 33 | N | 88.1 | Confident | 80.6 | Confident | 19 Ų | 19 | 71.5 Ų | 71.5 | 10% | 0.102 | 35% | 0.347 | C | S | . | . | trans | 57.9 | 16.7 | -179 | -163.9 | 39.1 | 0 | 0 | 0 | 114.8 | R28 C29 N223 | R28-N33 VanDerWaalsContact CD-OD1 3.3Å; R28-N33 WeakPolarHBondContact CD-OD1 3.24Å; R28-N33 PolarHBondContact NH1-OD1 2.82Å; C29-N33 VanDerWaalsContact O-CA 3.26Å; C29-N33 WeakPolarHBondContact O-CA 3.5Å; C29-N33 PolarHBondContact O-N 3.43Å; N33-N223 WeakPolarHBondContact ND2-CB 3.45Å | ||
| 34 | R | 87.9 | Confident | 81.6 | Confident | 155 Ų | 155 | 73.1 Ų | 73.1 | 59% | 0.585 | 36% | 0.358 | S | S | * | . | trans | -80.3 | 149.1 | 170.8 | -65.3 | -164.8 | -163.1 | -175.1 | 6.6 | 110.6 | R28 C29 C32 S55 | R28-R34 WeakPolarHBondContact CA-O 3.3Å; C29-R34 PolarHBondContact N-O 3.37Å; C32-R34 PolarHBondContact O-N 3.28Å; R34-S55 VanDerWaalsContact CD-CB 3.49Å; R34-S55 WeakPolarHBondContact CD-OG 3.46Å; R34-S55 PolarHBondContact NE-OG 2.97Å; R34-S55 PolarHBondContact NH1-OG 2.89Å; R34-S55 PolarHBondContact NH2-OG 2.86Å; R34-S55 VanDerWaalsContact NH2-OG 3.17Å | ||
| 35 | E | 88.3 | Confident | 82.4 | Confident | 121 Ų | 121 | 75.8 Ų | 75.8 | 57% | 0.565 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 141.7 | 176.8 | -74.8 | 174.1 | -162.8 | 0 | 0 | 111.8 | C25 Y27 | C25-E35 HydrophobicContact CB-CB 3.78Å; C25-E35 HydrophobicContact CB-CG 4.19Å; Y27-E35 WeakPolarHBondContact O-CA 3.47Å |
| 36 | A | 85.6 | Confident | 82.8 | Confident | 12 Ų | 12 | 76.1 Ų | 76.1 | 10% | 0.099 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 141.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y27 V60 | Y27-A36 PolarHBondContact N-O 3.31Å; Y27-A36 PolarHBondContact O-N 3.45Å; A36-V60 HydrophobicContact CB-CG1 3.65Å; A36-V60 HydrophobicContact CB-CG2 4.19Å |
| 37 | Q | 83.2 | Confident | 82.5 | Confident | 107 Ų | 107 | 75.6 Ų | 75.6 | 50% | 0.5 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -78.2 | -34.3 | -179.5 | -73.1 | 174.3 | -19.5 | 0 | 0 | 112.1 | ||
| 38 | E | 81.9 | Confident | 82.1 | Confident | 62 Ų | 62 | 77.3 Ų | 77.3 | 29% | 0.29 | 39% | 0.387 | S | S | . | . | trans | -147.1 | 144.6 | -173.9 | 59.6 | -171.5 | 169.4 | 0 | 0 | 110 | R41 T51 | E38-R41 IonicContact OE1-CZ 2.76Å; E38-R41 IonicContact OE1-NE 2.69Å; E38-R41 PolarHBondContact OE1-NE 3.06Å; E38-R41 IonicContact OE1-NH2 3.36Å; E38-R41 PolarHBondContact OE1-NH2 2.98Å; E38-R41 WeakPolarHBondContact OE2-CG 3.36Å; E38-R41 IonicContact OE2-NE 3.69Å; E38-T51 HydrophobicContact CG-CG2 4.01Å | ||
| 39 | L | 82.3 | Confident | 81.8 | Confident | 11 Ų | 11 | 80.3 Ų | 80.3 | 6% | 0.058 | 40% | 0.401 | C | S | . | . | S | Bend | trans | -86.1 | -37.4 | 175.9 | -66 | 177.8 | 0 | 0 | 0 | 111.8 | Y27 T51 V60 D61 I64 N89 | Y27-L39 HydrophobicContact CD1-CD1 3.57Å; Y27-L39 HydrophobicContact CD1-CD2 4.01Å; Y27-L39 HydrophobicContact CD1-CG 3.67Å; Y27-L39 HydrophobicContact CD2-CD2 4.48Å; Y27-L39 HydrophobicContact CD2-CG 3.94Å; Y27-L39 HydrophobicContact CE1-CD1 3.58Å; Y27-L39 HydrophobicContact CE1-CG 4Å; Y27-L39 HydrophobicContact CE2-CG 4.24Å; Y27-L39 HydrophobicContact CG-CD1 4.08Å; Y27-L39 HydrophobicContact CG-CD2 3.83Å; Y27-L39 HydrophobicContact CG-CG 3.63Å; L39-T51 PolarHBondContact O-N 3.13Å; L39-V60 HydrophobicContact CD2-CG1 3.73Å; L39-D61 HydrophobicContact CD2-CB 3.87Å; L39-I64 HydrophobicContact CB-CD1 4.38Å; L39-I64 HydrophobicContact CD1-CD1 4.4Å; L39-N89 HydrophobicContact CD1-CB 4.13Å; L39-N89 HydrophobicContact CD2-CB 4.38Å |
| 40 | Y | 80.7 | Confident | 81.5 | Confident | 110 Ų | 110 | 81.8 Ų | 81.8 | 43% | 0.431 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 157.3 | -179.7 | 63 | -92.3 | 0 | 0 | 0 | 110.1 | L48 K49 I64 | Y40-L48 HydrophobicContact CD2-CD2 3.14Å; Y40-L48 HydrophobicContact CE2-CD2 3.27Å; Y40-L48 HydrophobicContact CG-CD2 3.95Å; Y40-K49 CarbonylContact C-O 3.55Å; Y40-K49 VanDerWaalsContact CA-O 3.3Å; Y40-K49 WeakPolarHBondContact CA-O 3.45Å; Y40-I64 HydrophobicContact CD1-CD1 3.41Å; Y40-I64 VanDerWaalsContact CD1-CD1 3.41Å; Y40-I64 HydrophobicContact CE1-CD1 3.71Å; Y40-I64 HydrophobicContact CG-CD1 4.5Å |
| 41 | R | 77.5 | Confident | 81.2 | Confident | 121 Ų | 121 | 82.7 Ų | 82.7 | 46% | 0.457 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 130.7 | 167 | -71.6 | -177.4 | -178.6 | 159.1 | 5.3 | 109.2 | E38 Y43 K49 | E38-R41 IonicContact OE1-CZ 2.76Å; E38-R41 IonicContact OE1-NE 2.69Å; E38-R41 PolarHBondContact OE1-NE 3.06Å; E38-R41 IonicContact OE1-NH2 3.36Å; E38-R41 PolarHBondContact OE1-NH2 2.98Å; E38-R41 WeakPolarHBondContact OE2-CG 3.36Å; E38-R41 IonicContact OE2-NE 3.69Å; R41-Y43 HydrophobicContact CB-CE2 4.1Å; R41-K49 PolarHBondContact N-O 2.84Å; R41-K49 PolarHBondContact O-N 3.25Å |
| 42 | D | 76.8 | Confident | 81.1 | Confident | 110 Ų | 110 | 84.5 Ų | 84.5 | 59% | 0.588 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89 | 114.5 | 169.3 | -164.7 | -3.9 | 0 | 0 | 0 | 108.6 | L48 | D42-L48 HydrophobicContact CB-CD2 4.44Å |
| 43 | Y | 75.1 | Confident | 81.2 | Confident | 110 Ų | 110 | 83.1 Ų | 83.1 | 43% | 0.431 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 143.6 | 170.9 | -72.7 | -87.3 | 0 | 0 | 0 | 108.6 | R41 H45 G46 V47 K49 | R41-Y43 HydrophobicContact CB-CE2 4.1Å; Y43-H45 PolarHBondContact O-N 3.32Å; Y43-G46 PolarHBondContact O-N 3.24Å; Y43-V47 PolarHBondContact N-O 2.94Å; Y43-K49 HydrophobicContact CD2-CB 4.14Å; Y43-K49 HydrophobicContact CE2-CB 3.8Å; Y43-K49 HydrophobicContact CE2-CD 3.97Å; Y43-K49 HydrophobicContact CE2-CG 4.5Å |
| 44 | S | 65.3 | Low | 81.2 | Confident | 119 Ų | 119 | 90.8 Ų | 90.8 | 83% | 0.832 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.2 | -1.7 | -172.4 | 51.7 | 0 | 0 | 0 | 0 | 117.8 | ||
| 45 | H | 71.4 | Confident | 81.3 | Confident | 169 Ų | 169 | 85.6 Ų | 85.6 | 78% | 0.782 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.4 | 14.9 | 173.7 | -65.7 | -75.9 | 0 | 0 | 0 | 113.9 | Y43 V47 | Y43-H45 PolarHBondContact O-N 3.32Å; H45-V47 VanDerWaalsContact C-N 3.29Å; H45-V47 PolarHBondContact O-N 3.18Å |
| 46 | G | 69.4 | Low | 81.5 | Confident | 59 Ų | 59 | 81.6 Ų | 81.6 | 61% | 0.608 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 17.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y43 | Y43-G46 PolarHBondContact O-N 3.24Š|
| 47 | V | 75.6 | Confident | 81.7 | Confident | 91 Ų | 91 | 87.5 Ų | 87.5 | 55% | 0.552 | 45% | 0.446 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 104.9 | 175.4 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | Y43 H45 | Y43-V47 PolarHBondContact N-O 2.94Å; H45-V47 VanDerWaalsContact C-N 3.29Å; H45-V47 PolarHBondContact O-N 3.18Å |
| 48 | L | 78.7 | Confident | 82.1 | Confident | 100 Ų | 100 | 87.7 Ų | 87.7 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 122.3 | 171.9 | -71.1 | 152 | 0 | 0 | 0 | 109.2 | Y40 D42 | Y40-L48 HydrophobicContact CD2-CD2 3.14Å; Y40-L48 HydrophobicContact CE2-CD2 3.27Å; Y40-L48 HydrophobicContact CG-CD2 3.95Å; D42-L48 HydrophobicContact CB-CD2 4.44Å |
| 49 | K | 83.8 | Confident | 82.5 | Confident | 125 Ų | 125 | 87.1 Ų | 87.1 | 54% | 0.543 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 123.5 | 174.9 | -171.7 | 174.5 | -177.5 | 173.6 | 0 | 110.4 | Y40 R41 Y43 T51 | Y40-K49 CarbonylContact C-O 3.55Å; Y40-K49 VanDerWaalsContact CA-O 3.3Å; Y40-K49 WeakPolarHBondContact CA-O 3.45Å; R41-K49 PolarHBondContact N-O 2.84Å; R41-K49 PolarHBondContact O-N 3.25Å; Y43-K49 HydrophobicContact CD2-CB 4.14Å; Y43-K49 HydrophobicContact CE2-CB 3.8Å; Y43-K49 HydrophobicContact CE2-CD 3.97Å; Y43-K49 HydrophobicContact CE2-CG 4.5Å; K49-T51 PolarHBondContact O-N 2.93Å |
| 50 | I | 85.7 | Confident | 82.9 | Confident | 30 Ų | 30 | 86.7 Ų | 86.7 | 15% | 0.154 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 134 | 175.3 | -62.6 | 167.5 | 0 | 0 | 0 | 110.2 | P59 I64 E65 | I50-P59 HydrophobicContact CG2-CB 3.67Å; I50-I64 HydrophobicContact CG1-CG2 4.38Å; I50-E65 VanDerWaalsContact CD1-CD 3.48Å; I50-E65 HydrophobicContact CD1-CG 4.15Å; I50-E65 VanDerWaalsContact CD1-OE1 3.24Å; I50-E65 WeakPolarHBondContact CD1-OE1 3.29Å |
| 51 | T | 87.3 | Confident | 83.5 | Confident | 21 Ų | 21 | 81.4 Ų | 81.4 | 13% | 0.129 | 42% | 0.424 | C | S | . | . | P | Polyproline II helix | trans | -74.1 | 138.7 | 177.6 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | E38 L39 K49 V60 | E38-T51 HydrophobicContact CG-CG2 4.01Å; L39-T51 PolarHBondContact O-N 3.13Å; K49-T51 PolarHBondContact O-N 2.93Å; T51-V60 HydrophobicContact CG2-CG2 4.33Å; T51-V60 WeakPolarHBondContact O-CB 3.4Å; T51-V60 VanDerWaalsContact O-CG2 3.26Å; T51-V60 WeakPolarHBondContact O-CG2 3.38Å; T51-V60 PolarHBondContact O-N 2.85Å |
| 52 | I | 89.4 | Confident | 84.1 | Confident | 85 Ų | 85 | 78.3 Ų | 78.3 | 44% | 0.436 | 41% | 0.414 | S | S | . | . | B | Isolated β-bridge | trans | -89.4 | 132.8 | 175.9 | -55.6 | -57.2 | 0 | 0 | 0 | 109.8 | K54 | I52-K54 PolarHBondContact O-N 3.44Å |
| 53 | C | 90.5 | Very high | 84.8 | Confident | 9 Ų | 9 | 73.2 Ų | 73.2 | 6% | 0.061 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -69.2 | 124.6 | 178.9 | -179 | 0 | 0 | 0 | 0 | 110.8 | C29 S55 C56 Q57 K58 V60 | C29-C53 HydrophobicContact CB-CB 4.35Å; C53-S55 PolarHBondContact O-N 3.1Å; C53-S55 VanDerWaalsContact O-N 3.1Å; C53-C56 VanDerWaalsContact CB-SG 3.54Å; C53-Q57 VanDerWaalsContact O-CA 3.3Å; C53-Q57 WeakPolarHBondContact O-CA 3.5Å; C53-Q57 PolarHBondContact O-N 3.01Å; C53-K58 WeakPolarHBondContact CB-O 3.4Å; C53-K58 PolarHBondContact N-O 2.78Å; C53-V60 HydrophobicContact CB-CG2 3.96Å |
| 54 | K | 89.4 | Confident | 85.5 | Confident | 179 Ų | 179 | 71.3 Ų | 71.3 | 78% | 0.778 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -25.9 | 179.2 | -62.7 | -178.6 | -179.1 | 177.2 | 0 | 113.9 | I52 Q57 | I52-K54 PolarHBondContact O-N 3.44Å; K54-Q57 PolarHBondContact O-NE2 2.86Å |
| 55 | S | 89.6 | Confident | 86.6 | Confident | 46 Ų | 46 | 71.9 Ų | 71.9 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | -44.2 | -176.6 | 173.8 | 0 | 0 | 0 | 0 | 114.6 | R34 C53 | R34-S55 VanDerWaalsContact CD-CB 3.49Å; R34-S55 WeakPolarHBondContact CD-OG 3.46Å; R34-S55 PolarHBondContact NE-OG 2.97Å; R34-S55 PolarHBondContact NH1-OG 2.89Å; R34-S55 PolarHBondContact NH2-OG 2.86Å; R34-S55 VanDerWaalsContact NH2-OG 3.17Å; C53-S55 PolarHBondContact O-N 3.1Å; C53-S55 VanDerWaalsContact O-N 3.1Å |
| 56 | C | 91.6 | Very high | 87.6 | Confident | 37 Ų | 37 | 68.2 Ų | 68.2 | 25% | 0.25 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -2.9 | -174.2 | 64 | 0 | 0 | 0 | 0 | 113 | C32 C53 K58 | C32-C56 HydrophobicContact CB-CB 4.05Å; C53-C56 VanDerWaalsContact CB-SG 3.54Å; C56-K58 PolarHBondContact O-N 3.07Å |
| 57 | Q | 91.2 | Very high | 88.6 | Confident | 136 Ų | 136 | 69.7 Ų | 69.7 | 64% | 0.636 | 35% | 0.346 | S | S | * | . | trans | 56 | 23.3 | 179.3 | -58.6 | -62.2 | -37.7 | 0 | 0 | 113.8 | C53 K54 | C53-Q57 VanDerWaalsContact O-CA 3.3Å; C53-Q57 WeakPolarHBondContact O-CA 3.5Å; C53-Q57 PolarHBondContact O-N 3.01Å; K54-Q57 PolarHBondContact O-NE2 2.86Å | ||
| 58 | K | 91.2 | Very high | 89.3 | Confident | 111 Ų | 111 | 70 Ų | 70 | 48% | 0.483 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -108 | 158.2 | 174 | -69 | 178.7 | -176.5 | -175.6 | 0 | 110 | E31 C53 C56 V60 | E31-K58 HydrophobicContact CB-CD 4.34Å; E31-K58 HydrophobicContact CG-CB 4.06Å; E31-K58 HydrophobicContact CG-CD 3.85Å; C53-K58 WeakPolarHBondContact CB-O 3.4Å; C53-K58 PolarHBondContact N-O 2.78Å; C56-K58 PolarHBondContact O-N 3.07Å; K58-V60 PolarHBondContact O-N 3.31Å |
| 59 | P | 90.6 | Very high | 90 | Very high | 50 Ų | 50 | 69.4 Ų | 69.4 | 33% | 0.325 | 35% | 0.35 | S | S | . | . | B | Isolated β-bridge | trans | -52.8 | 134.3 | 173 | 21.3 | -33.1 | 0 | 0 | 0 | 110.8 | I50 D61 | I50-P59 HydrophobicContact CG2-CB 3.67Å; P59-D61 VanDerWaalsContact C-N 3.31Å; P59-D61 PolarHBondContact O-N 3.41Å |
| 60 | V | 90.8 | Very high | 90.5 | Very high | 2 Ų | 2 | 67.1 Ų | 67.1 | 1% | 0.012 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -59.8 | -45.2 | -176.8 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | C29 I30 A36 L39 T51 C53 K58 | C29-V60 WeakPolarHBondContact CA-O 3.26Å; C29-V60 HydrophobicContact CB-CG1 4.48Å; I30-V60 WeakPolarHBondContact CG1-O 3.46Å; I30-V60 PolarHBondContact N-O 2.72Å; A36-V60 HydrophobicContact CB-CG1 3.65Å; A36-V60 HydrophobicContact CB-CG2 4.19Å; L39-V60 HydrophobicContact CD2-CG1 3.73Å; T51-V60 HydrophobicContact CG2-CG2 4.33Å; T51-V60 WeakPolarHBondContact O-CB 3.4Å; T51-V60 VanDerWaalsContact O-CG2 3.26Å; T51-V60 WeakPolarHBondContact O-CG2 3.38Å; T51-V60 PolarHBondContact O-N 2.85Å; C53-V60 HydrophobicContact CB-CG2 3.96Å; K58-V60 PolarHBondContact O-N 3.31Å |
| 61 | D | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | trans | -151.9 | 116 | 174.9 | -164.3 | -17.4 | 0 | 0 | 0 | 110.4 | I30 L39 P59 Y63 H85 N89 | I30-D61 HydrophobicContact CG2-CB 4.01Å; L39-D61 HydrophobicContact CD2-CB 3.87Å; P59-D61 VanDerWaalsContact C-N 3.31Å; P59-D61 PolarHBondContact O-N 3.41Å; D61-Y63 WeakPolarHBondContact OD1-CB 3.3Å; D61-Y63 PolarHBondContact OD1-N 2.89Å; D61-H85 IonicContact OD1-ND1 3.75Å; D61-H85 PolarHBondContact OD1-ND1 2.9Å; D61-H85 IonicContact OD2-CE1 3.15Å; D61-H85 IonicContact OD2-CG 2.72Å; D61-H85 IonicContact OD2-ND1 2.76Å; D61-H85 PolarHBondContact OD2-ND1 3.09Å; D61-N89 WeakPolarHBondContact OD2-CB 3.24Å; D61-N89 PolarHBondContact OD2-ND2 3.44Å | ||
| 62 | K | 91.3 | Very high | 91 | Very high | 56 Ų | 56 | 70 Ų | 70 | 24% | 0.243 | 36% | 0.357 | C | S | . | . | S | Bend | trans | -86.7 | -17.1 | 176.5 | 70.2 | -172.1 | 174.1 | -170.2 | 0 | 113.1 | I30 I64 Y66 | I30-K62 HydrophobicContact CD1-CD 4.38Å; I30-K62 HydrophobicContact CD1-CG 3.87Å; K62-I64 PolarHBondContact O-N 3.44Å; K62-Y66 HydrophobicContact CG-CE2 4.43Å |
| 63 | Y | 91.5 | Very high | 91.2 | Very high | 3 Ų | 3 | 70 Ų | 70 | 1% | 0.012 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -77.2 | -11 | -173.6 | -69.2 | -71.8 | 0 | 0 | 0 | 113 | I30 D61 E65 Y66 I71 N74 Q81 H85 | I30-Y63 HydrophobicContact CD1-CD2 3.84Å; I30-Y63 HydrophobicContact CD1-CE2 3.88Å; D61-Y63 WeakPolarHBondContact OD1-CB 3.3Å; D61-Y63 PolarHBondContact OD1-N 2.89Å; Y63-E65 PolarHBondContact O-N 2.93Å; Y63-Y66 AromaticContact CD1-CD2 3.47Å; Y63-Y66 HydrophobicContact CD1-CD2 3.47Å; Y63-Y66 VanDerWaalsContact CD1-CD2 3.47Å; Y63-Y66 HydrophobicContact CD1-CE2 4.05Å; Y63-Y66 HydrophobicContact CD1-CG 4.24Å; Y63-Y66 AromaticContact CE1-CD2 3.81Å; Y63-Y66 HydrophobicContact CE1-CD2 3.81Å; Y63-Y66 HydrophobicContact CE1-CE2 4.04Å; Y63-Y66 HydrophobicContact CG-CD2 4.48Å; Y63-Y66 PolarHBondContact O-N 3.38Å; Y63-Y66 VanDerWaalsContact O-N 3.12Å; Y63-I71 HydrophobicContact CD1-CG1 3.94Å; Y63-I71 HydrophobicContact CG-CG1 4.45Å; Y63-N74 HydrophobicContact CE1-CB 4.34Å; Y63-Q81 HydrophobicContact CE2-CB 3.64Å; Y63-H85 HydrophobicContact CD2-CB 3.86Å; Y63-H85 HydrophobicContact CG-CB 4.29Å |
| 64 | I | 88.4 | Confident | 91.4 | Very high | 69 Ų | 69 | 70.4 Ų | 70.4 | 35% | 0.354 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -62.3 | -28.2 | 174.9 | -167 | 170.3 | 0 | 0 | 0 | 113 | L39 Y40 I50 K62 | L39-I64 HydrophobicContact CB-CD1 4.38Å; L39-I64 HydrophobicContact CD1-CD1 4.4Å; Y40-I64 HydrophobicContact CD1-CD1 3.41Å; Y40-I64 VanDerWaalsContact CD1-CD1 3.41Å; Y40-I64 HydrophobicContact CE1-CD1 3.71Å; Y40-I64 HydrophobicContact CG-CD1 4.5Å; I50-I64 HydrophobicContact CG1-CG2 4.38Å; K62-I64 PolarHBondContact O-N 3.44Å |
| 65 | E | 89.1 | Confident | 91.6 | Very high | 131 Ų | 131 | 62 Ų | 62 | 61% | 0.612 | 32% | 0.323 | S | S | * | . | G | 310 helix | trans | -90.9 | -12.6 | 176.8 | -64.1 | 177.1 | 174.5 | 0 | 0 | 112.4 | I50 Y63 | I50-E65 VanDerWaalsContact CD1-CD 3.48Å; I50-E65 HydrophobicContact CD1-CG 4.15Å; I50-E65 VanDerWaalsContact CD1-OE1 3.24Å; I50-E65 WeakPolarHBondContact CD1-OE1 3.29Å; Y63-E65 PolarHBondContact O-N 2.93Å |
| 66 | Y | 91.4 | Very high | 91.7 | Very high | 93 Ų | 93 | 62.6 Ų | 62.6 | 37% | 0.365 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -86.2 | 145.4 | -174.2 | -72 | 8 | 0 | 0 | 0 | 110.6 | K62 Y63 I70 | K62-Y66 HydrophobicContact CG-CE2 4.43Å; Y63-Y66 AromaticContact CD1-CD2 3.47Å; Y63-Y66 HydrophobicContact CD1-CD2 3.47Å; Y63-Y66 VanDerWaalsContact CD1-CD2 3.47Å; Y63-Y66 HydrophobicContact CD1-CE2 4.05Å; Y63-Y66 HydrophobicContact CD1-CG 4.24Å; Y63-Y66 AromaticContact CE1-CD2 3.81Å; Y63-Y66 HydrophobicContact CE1-CD2 3.81Å; Y63-Y66 HydrophobicContact CE1-CE2 4.04Å; Y63-Y66 HydrophobicContact CG-CD2 4.48Å; Y63-Y66 PolarHBondContact O-N 3.38Å; Y63-Y66 VanDerWaalsContact O-N 3.12Å; Y66-I70 HydrophobicContact CD2-CG2 3.76Å; Y66-I70 HydrophobicContact CE2-CG2 4.37Å; Y66-I70 HydrophobicContact CG-CG2 4.42Å |
| 67 | D | 92 | Very high | 91.7 | Very high | 90 Ų | 90 | 66 Ų | 66 | 48% | 0.481 | 34% | 0.337 | S | S | . | . | trans | -61.8 | 140.2 | 170.5 | -173.3 | -82.7 | 0 | 0 | 0 | 110.8 | V69 I70 I71 | D67-V69 PolarHBondContact O-N 3.43Å; D67-V69 VanDerWaalsContact OD1-CB 3.3Å; D67-V69 WeakPolarHBondContact OD1-CB 3.49Å; D67-V69 VanDerWaalsContact OD1-CG2 3.29Å; D67-V69 WeakPolarHBondContact OD1-CG2 3.37Å; D67-V69 PolarHBondContact OD1-N 2.88Å; D67-I70 HydrophobicContact CB-CD1 4.49Å; D67-I70 WeakPolarHBondContact O-CB 3.3Å; D67-I70 PolarHBondContact O-N 3.06Å; D67-I71 PolarHBondContact O-N 3.36Å | ||
| 68 | P | 90.1 | Very high | 91.8 | Very high | 96 Ų | 96 | 60.6 Ų | 60.6 | 62% | 0.623 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -49.7 | -29.9 | 177.2 | -29.9 | 36.4 | 0 | 0 | 0 | 115.2 | I71 L72 | P68-I71 WeakPolarHBondContact O-CB 3.49Å; P68-I71 PolarHBondContact O-N 2.84Å; P68-L72 WeakPolarHBondContact O-CB 3.4Å; P68-L72 PolarHBondContact O-N 3.39Å |
| 69 | V | 92.7 | Very high | 91.9 | Very high | 88 Ų | 88 | 59.7 Ų | 59.7 | 53% | 0.533 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.3 | -41.5 | 176.3 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | D67 I71 L72 I73 | D67-V69 PolarHBondContact O-N 3.43Å; D67-V69 VanDerWaalsContact OD1-CB 3.3Å; D67-V69 WeakPolarHBondContact OD1-CB 3.49Å; D67-V69 VanDerWaalsContact OD1-CG2 3.29Å; D67-V69 WeakPolarHBondContact OD1-CG2 3.37Å; D67-V69 PolarHBondContact OD1-N 2.88Å; V69-I71 VanDerWaalsContact C-N 3.3Å; V69-I71 PolarHBondContact O-N 2.93Å; V69-L72 WeakPolarHBondContact O-CB 3.15Å; V69-L72 PolarHBondContact O-N 2.99Å; V69-I73 HydrophobicContact CG1-CD1 4.1Å; V69-I73 VanDerWaalsContact O-CG1 3.31Å; V69-I73 WeakPolarHBondContact O-CG1 3.3Å; V69-I73 PolarHBondContact O-N 3.12Å |
| 70 | I | 94.1 | Very high | 92 | Very high | 78 Ų | 78 | 58.5 Ų | 58.5 | 40% | 0.4 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68 | -36.6 | 177.8 | -60 | 174.4 | 0 | 0 | 0 | 110.3 | Y66 D67 N74 | Y66-I70 HydrophobicContact CD2-CG2 3.76Å; Y66-I70 HydrophobicContact CE2-CG2 4.37Å; Y66-I70 HydrophobicContact CG-CG2 4.42Å; D67-I70 HydrophobicContact CB-CD1 4.49Å; D67-I70 WeakPolarHBondContact O-CB 3.3Å; D67-I70 PolarHBondContact O-N 3.06Å; I70-N74 PolarHBondContact O-N 3.09Å; I70-N74 PolarHBondContact O-ND2 2.95Å |
| 71 | I | 93.3 | Very high | 92.1 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.092 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.3 | -45.7 | 174.8 | -56.3 | 174.7 | 0 | 0 | 0 | 109.5 | Y63 D67 P68 V69 N74 A75 I86 | Y63-I71 HydrophobicContact CD1-CG1 3.94Å; Y63-I71 HydrophobicContact CG-CG1 4.45Å; D67-I71 PolarHBondContact O-N 3.36Å; P68-I71 WeakPolarHBondContact O-CB 3.49Å; P68-I71 PolarHBondContact O-N 2.84Å; V69-I71 VanDerWaalsContact C-N 3.3Å; V69-I71 PolarHBondContact O-N 2.93Å; I71-N74 PolarHBondContact O-N 3.04Å; I71-A75 WeakPolarHBondContact O-CB 3.43Å; I71-A75 PolarHBondContact O-N 3.17Å; I71-I86 HydrophobicContact CG2-CD1 4.04Å; I71-I86 HydrophobicContact CG2-CG1 3.95Å |
| 72 | L | 90.9 | Very high | 92.2 | Very high | 93 Ų | 93 | 60.5 Ų | 60.5 | 49% | 0.487 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 177.1 | 179.4 | 62.9 | 0 | 0 | 0 | 111.9 | P68 V69 N74 A75 I76 | P68-L72 WeakPolarHBondContact O-CB 3.4Å; P68-L72 PolarHBondContact O-N 3.39Å; V69-L72 WeakPolarHBondContact O-CB 3.15Å; V69-L72 PolarHBondContact O-N 2.99Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-N74 PolarHBondContact O-N 3.17Å; L72-A75 WeakPolarHBondContact O-CB 3.23Å; L72-A75 PolarHBondContact O-N 3.18Å; L72-A75 VanDerWaalsContact O-N 3.14Å; L72-I76 HydrophobicContact CD1-CD1 4.33Å; L72-I76 HydrophobicContact CD1-CG1 4.45Å; L72-I76 HydrophobicContact CG-CD1 4.05Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 3.06Å |
| 73 | I | 93.8 | Very high | 92.2 | Very high | 86 Ų | 86 | 58.1 Ų | 58.1 | 44% | 0.441 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59.2 | -45.6 | 176.5 | -67.6 | 163.7 | 0 | 0 | 0 | 110.5 | V69 A75 I76 L77 | V69-I73 HydrophobicContact CG1-CD1 4.1Å; V69-I73 VanDerWaalsContact O-CG1 3.31Å; V69-I73 WeakPolarHBondContact O-CG1 3.3Å; V69-I73 PolarHBondContact O-N 3.12Å; I73-A75 VanDerWaalsContact C-N 3.29Å; I73-A75 PolarHBondContact O-N 3.06Å; I73-I76 PolarHBondContact O-N 2.94Å; I73-L77 HydrophobicContact CG2-CD1 4.11Å; I73-L77 WeakPolarHBondContact O-CG 3.07Å; I73-L77 PolarHBondContact O-N 2.97Å |
| 74 | N | 94.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 59.5 Ų | 59.5 | 9% | 0.086 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -67.8 | -30.4 | 178.4 | -74.1 | -57.1 | 0 | 0 | 0 | 112.9 | Y63 I70 I71 L72 L77 K79 A82 | Y63-N74 HydrophobicContact CE1-CB 4.34Å; I70-N74 PolarHBondContact O-N 3.09Å; I70-N74 PolarHBondContact O-ND2 2.95Å; I71-N74 PolarHBondContact O-N 3.04Å; L72-N74 VanDerWaalsContact C-N 3.33Å; L72-N74 PolarHBondContact O-N 3.17Å; N74-L77 PolarHBondContact O-N 2.87Å; N74-K79 HydrophobicContact CB-CD 4.21Å; N74-K79 WeakPolarHBondContact O-CB 3.41Å; N74-K79 PolarHBondContact O-N 2.99Å; N74-K79 WeakPolarHBondContact OD1-CD 3.49Å; N74-K79 WeakPolarHBondContact OD1-CE 3.26Å; N74-K79 PolarHBondContact OD1-NZ 3.39Å; N74-A82 HydrophobicContact CB-CB 3.87Å |
| 75 | A | 92.6 | Very high | 92.5 | Very high | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.017 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.8 | -47.9 | 170 | 0 | 0 | 0 | 0 | 0 | 110.5 | I71 L72 I73 L77 C78 A82 Y83 I86 Y183 | I71-A75 WeakPolarHBondContact O-CB 3.43Å; I71-A75 PolarHBondContact O-N 3.17Å; L72-A75 WeakPolarHBondContact O-CB 3.23Å; L72-A75 PolarHBondContact O-N 3.18Å; L72-A75 VanDerWaalsContact O-N 3.14Å; I73-A75 VanDerWaalsContact C-N 3.29Å; I73-A75 PolarHBondContact O-N 3.06Å; A75-L77 PolarHBondContact O-N 3.33Å; A75-C78 WeakPolarHBondContact O-CA 3.44Å; A75-C78 PolarHBondContact O-N 3.49Å; A75-A82 HydrophobicContact CB-CB 4.38Å; A75-Y83 HydrophobicContact CB-CE2 4.48Å; A75-Y83 WeakPolarHBondContact O-CE2 3.31Å; A75-I86 HydrophobicContact CB-CD1 3.97Å; A75-Y183 PolarHBondContact O-OH 3.47Å |
| 76 | I | 91.6 | Very high | 92.5 | Very high | 60 Ų | 60 | 51.7 Ų | 51.7 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56.4 | -37.4 | 173.8 | -66.7 | 166.7 | 0 | 0 | 0 | 110.9 | L72 I73 C78 Y183 F209 | L72-I76 HydrophobicContact CD1-CD1 4.33Å; L72-I76 HydrophobicContact CD1-CG1 4.45Å; L72-I76 HydrophobicContact CG-CD1 4.05Å; L72-I76 WeakPolarHBondContact O-CG1 3.46Å; L72-I76 PolarHBondContact O-N 3.06Å; I73-I76 PolarHBondContact O-N 2.94Å; I76-C78 PolarHBondContact O-N 3.2Å; I76-Y183 HydrophobicContact CG1-CE2 4.03Å; I76-F209 HydrophobicContact CG2-CE2 4.5Å; I76-F209 HydrophobicContact CG2-CZ 4.2Å; I76-F209 WeakPolarHBondContact O-CE2 3.47Å; I76-F209 WeakPolarHBondContact O-CZ 3.42Å |
| 77 | L | 93.3 | Very high | 92.4 | Very high | 107 Ų | 107 | 48.2 Ų | 48.2 | 56% | 0.56 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 9.2 | 173.5 | -67.2 | 172.2 | 0 | 0 | 0 | 114.3 | I73 N74 A75 K79 | I73-L77 HydrophobicContact CG2-CD1 4.11Å; I73-L77 WeakPolarHBondContact O-CG 3.07Å; I73-L77 PolarHBondContact O-N 2.97Å; N74-L77 PolarHBondContact O-N 2.87Å; A75-L77 PolarHBondContact O-N 3.33Å; L77-K79 HydrophobicContact CB-CG 4.18Å; L77-K79 PolarHBondContact O-N 3.3Å; L77-K79 VanDerWaalsContact O-N 3.11Å |
| 78 | C | 92.1 | Very high | 92.3 | Very high | 23 Ų | 23 | 45.4 Ų | 45.4 | 16% | 0.155 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 29.8 | -178.3 | -65.7 | 0 | 0 | 0 | 0 | 113.7 | A75 I76 A80 Q216 | A75-C78 WeakPolarHBondContact O-CA 3.44Å; A75-C78 PolarHBondContact O-N 3.49Å; I76-C78 PolarHBondContact O-N 3.2Å; C78-A80 PolarHBondContact O-N 3.11Å; C78-Q216 HydrophobicContact CB-CG 4.39Å; C78-Q216 WeakPolarHBondContact O-CG 3.24Å |
| 79 | K | 93.9 | Very high | 92.2 | Very high | 92 Ų | 92 | 41.6 Ų | 41.6 | 40% | 0.4 | 22% | 0.216 | S | C | . | . | trans | -72.9 | 123.6 | 179.1 | -68.2 | -169.9 | -174.3 | 164.3 | 0 | 110.6 | N74 L77 Q81 A82 Y83 | N74-K79 HydrophobicContact CB-CD 4.21Å; N74-K79 WeakPolarHBondContact O-CB 3.41Å; N74-K79 PolarHBondContact O-N 2.99Å; N74-K79 WeakPolarHBondContact OD1-CD 3.49Å; N74-K79 WeakPolarHBondContact OD1-CE 3.26Å; N74-K79 PolarHBondContact OD1-NZ 3.39Å; L77-K79 HydrophobicContact CB-CG 4.18Å; L77-K79 PolarHBondContact O-N 3.3Å; L77-K79 VanDerWaalsContact O-N 3.11Å; K79-Q81 PolarHBondContact O-N 3.04Å; K79-Q81 VanDerWaalsContact O-N 3.1Å; K79-A82 PolarHBondContact O-N 2.77Å; K79-A82 VanDerWaalsContact O-N 3.11Å; K79-Y83 WeakPolarHBondContact O-CD2 3.47Å; K79-Y83 PolarHBondContact O-N 2.76Å | ||
| 80 | A | 92.1 | Very high | 92 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 21% | 0.207 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -53.1 | -36.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C78 Y83 R84 Q216 V220 | C78-A80 PolarHBondContact O-N 3.11Å; A80-Y83 PolarHBondContact O-N 2.88Å; A80-R84 WeakPolarHBondContact O-CG 3.48Å; A80-R84 PolarHBondContact O-N 2.87Å; A80-Q216 VanDerWaalsContact CB-NE2 3.29Å; A80-V220 HydrophobicContact CB-CG2 3.95Å |
| 81 | Q | 93.1 | Very high | 91.3 | Very high | 44 Ų | 44 | 45.1 Ų | 45.1 | 21% | 0.206 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65 | -41 | -177.5 | -57 | 170.5 | -8.7 | 0 | 0 | 111.5 | I30 E31 Y63 K79 R84 H85 | I30-Q81 HydrophobicContact CB-CB 4.3Å; I30-Q81 HydrophobicContact CD1-CB 4.26Å; I30-Q81 HydrophobicContact CG1-CB 4.45Å; E31-Q81 VanDerWaalsContact OE1-CD 3.25Å; E31-Q81 PolarHBondContact OE1-NE2 2.95Å; E31-Q81 PolarHBondContact OE2-NE2 2.84Å; Y63-Q81 HydrophobicContact CE2-CB 3.64Å; K79-Q81 PolarHBondContact O-N 3.04Å; K79-Q81 VanDerWaalsContact O-N 3.1Å; Q81-R84 PolarHBondContact O-N 3.27Å; Q81-H85 PolarHBondContact O-N 3.47Å |
| 82 | A | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -66 | -42.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | N74 A75 K79 R84 H85 I86 | N74-A82 HydrophobicContact CB-CB 3.87Å; A75-A82 HydrophobicContact CB-CB 4.38Å; K79-A82 PolarHBondContact O-N 2.77Å; K79-A82 VanDerWaalsContact O-N 3.11Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.31Å; A82-H85 PolarHBondContact O-N 3.29Å; A82-I86 VanDerWaalsContact O-CG1 3.23Å; A82-I86 WeakPolarHBondContact O-CG1 3.35Å; A82-I86 PolarHBondContact O-N 3.35Å |
| 83 | Y | 91.8 | Very high | 89.7 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.7 | -40.5 | 175.1 | -81.3 | -106.3 | 0 | 0 | 0 | 112 | A75 K79 A80 I86 L87 Y183 S213 Q216 A217 | A75-Y83 HydrophobicContact CB-CE2 4.48Å; A75-Y83 WeakPolarHBondContact O-CE2 3.31Å; K79-Y83 WeakPolarHBondContact O-CD2 3.47Å; K79-Y83 PolarHBondContact O-N 2.76Å; A80-Y83 PolarHBondContact O-N 2.88Å; Y83-I86 PolarHBondContact O-N 3.26Å; Y83-L87 WeakPolarHBondContact O-CB 3.43Å; Y83-L87 PolarHBondContact O-N 3.48Å; Y83-Y183 WeakPolarHBondContact OH-CE1 3.27Å; Y83-Y183 PolarHBondContact OH-OH 3.26Å; Y83-S213 WeakPolarHBondContact OH-CB 3.44Å; Y83-S213 PolarHBondContact OH-OG 3.22Å; Y83-Q216 HydrophobicContact CD2-CG 4.16Å; Y83-Q216 HydrophobicContact CE2-CG 4.18Å; Y83-Q216 HydrophobicContact CG-CG 4.43Å; Y83-A217 HydrophobicContact CD1-CB 4.12Å; Y83-A217 HydrophobicContact CE1-CB 4Å |
| 84 | R | 92.3 | Very high | 89.1 | Confident | 31 Ų | 31 | 50.5 Ų | 50.5 | 12% | 0.117 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 177.8 | -73.4 | 170.8 | -179.5 | 160 | -5.5 | 112 | I30 E31 A80 Q81 A82 F88 V220 | I30-R84 HydrophobicContact CB-CB 4.35Å; I30-R84 HydrophobicContact CG2-CB 4.31Å; I30-R84 WeakPolarHBondContact O-CD 3.45Å; I30-R84 PolarHBondContact O-NH1 2.69Å; E31-R84 VanDerWaalsContact C-NH1 3.34Å; E31-R84 PolarHBondContact O-NH1 2.76Å; A80-R84 WeakPolarHBondContact O-CG 3.48Å; A80-R84 PolarHBondContact O-N 2.87Å; Q81-R84 PolarHBondContact O-N 3.27Å; A82-R84 VanDerWaalsContact C-N 3.31Å; A82-R84 PolarHBondContact O-N 3.31Å; R84-F88 HydrophobicContact CB-CD2 4.39Å; R84-F88 WeakPolarHBondContact O-CB 3.44Å; R84-F88 PolarHBondContact O-N 2.84Å; R84-V220 HydrophobicContact CB-CG1 4.39Å; R84-V220 HydrophobicContact CG-CG1 3.38Å |
| 85 | H | 93.1 | Very high | 88.6 | Confident | 17 Ų | 17 | 50.6 Ų | 50.6 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -56.9 | -55.8 | 174.2 | 171.4 | 74.2 | 0 | 0 | 0 | 110.7 | I30 D61 Y63 Q81 A82 L87 N89 T90 | I30-H85 HydrophobicContact CG2-CB 4.21Å; D61-H85 IonicContact OD1-ND1 3.75Å; D61-H85 PolarHBondContact OD1-ND1 2.9Å; D61-H85 IonicContact OD2-CE1 3.15Å; D61-H85 IonicContact OD2-CG 2.72Å; D61-H85 IonicContact OD2-ND1 2.76Å; D61-H85 PolarHBondContact OD2-ND1 3.09Å; Y63-H85 HydrophobicContact CD2-CB 3.86Å; Y63-H85 HydrophobicContact CG-CB 4.29Å; Q81-H85 PolarHBondContact O-N 3.47Å; A82-H85 PolarHBondContact O-N 3.29Å; H85-L87 VanDerWaalsContact C-N 3.33Å; H85-L87 PolarHBondContact O-N 2.8Å; H85-N89 CarbonylContact O-C 3.57Å; H85-N89 WeakPolarHBondContact O-CA 3.46Å; H85-N89 PolarHBondContact O-N 3.27Å; H85-T90 PolarHBondContact CE1-OG1 3.26Å; H85-T90 VanDerWaalsContact CE1-OG1 3.31Å; H85-T90 PolarHBondContact NE2-OG1 3.46Å; H85-T90 VanDerWaalsContact NE2-OG1 3.07Å; H85-T90 PolarHBondContact O-N 3.24Å; H85-T90 PolarHBondContact O-OG1 2.92Å |
| 86 | I | 91.1 | Very high | 88.2 | Confident | 19 Ų | 19 | 52.6 Ų | 52.6 | 10% | 0.097 | 28% | 0.275 | C | S | . | . | I | π-helix | trans | -61.8 | -39.6 | -175.8 | -62.6 | 165.1 | 0 | 0 | 0 | 112.2 | I71 A75 A82 Y83 I92 L180 | I71-I86 HydrophobicContact CG2-CD1 4.04Å; I71-I86 HydrophobicContact CG2-CG1 3.95Å; A75-I86 HydrophobicContact CB-CD1 3.97Å; A82-I86 VanDerWaalsContact O-CG1 3.23Å; A82-I86 WeakPolarHBondContact O-CG1 3.35Å; A82-I86 PolarHBondContact O-N 3.35Å; Y83-I86 PolarHBondContact O-N 3.26Å; I86-I92 HydrophobicContact CG2-CD1 3.54Å; I86-L180 HydrophobicContact CB-CD2 4.08Å; I86-L180 HydrophobicContact CG2-CD1 4.11Å; I86-L180 HydrophobicContact CG2-CD2 3.36Å; I86-L180 HydrophobicContact CG2-CG 4.38Å |
| 87 | L | 89 | Confident | 88.1 | Confident | 20 Ų | 20 | 56.9 Ų | 56.9 | 11% | 0.105 | 29% | 0.292 | C | S | . | . | I | π-helix | trans | -83.9 | -37.1 | -172.7 | -173.4 | 63.2 | 0 | 0 | 0 | 113.7 | Y83 H85 L173 K176 A177 T221 | Y83-L87 WeakPolarHBondContact O-CB 3.43Å; Y83-L87 PolarHBondContact O-N 3.48Å; H85-L87 VanDerWaalsContact C-N 3.33Å; H85-L87 PolarHBondContact O-N 2.8Å; L87-L173 HydrophobicContact CD1-CD1 3.67Å; L87-L173 HydrophobicContact CD1-CG 4.12Å; L87-L173 HydrophobicContact CD2-CD1 4.36Å; L87-L173 HydrophobicContact CD2-CD2 4.5Å; L87-L173 HydrophobicContact CD2-CG 4.21Å; L87-L173 HydrophobicContact CG-CD1 3.75Å; L87-L173 HydrophobicContact CG-CG 4.14Å; L87-K176 HydrophobicContact CD1-CB 4.35Å; L87-A177 HydrophobicContact CD1-CB 3.87Å; L87-A177 HydrophobicContact CD2-CB 3.77Å; L87-A177 HydrophobicContact CG-CB 4.48Å; L87-T221 HydrophobicContact CD2-CG2 4.16Å; L87-T221 WeakPolarHBondContact CD2-OG1 3.29Å |
| 88 | F | 88.4 | Confident | 87.9 | Confident | 32 Ų | 32 | 53.3 Ų | 53.3 | 14% | 0.14 | 27% | 0.273 | C | S | . | . | I | π-helix | trans | -110.6 | -33.6 | -171.5 | -63.7 | -75.2 | 0 | 0 | 0 | 113.9 | R28 R84 L173 V220 | R28-F88 HydrophobicContact CB-CB 4.04Å; R28-F88 HydrophobicContact CB-CG 4.24Å; R28-F88 HydrophobicContact CG-CB 4.29Å; R28-F88 HydrophobicContact CG-CD1 4.22Å; R28-F88 HydrophobicContact CG-CG 4.25Å; R84-F88 HydrophobicContact CB-CD2 4.39Å; R84-F88 WeakPolarHBondContact O-CB 3.44Å; R84-F88 PolarHBondContact O-N 2.84Å; F88-L173 HydrophobicContact CD1-CD2 4.17Å; F88-L173 HydrophobicContact CE1-CD1 4.41Å; F88-L173 HydrophobicContact CE1-CD2 3.3Å; F88-L173 HydrophobicContact CE1-CG 4.39Å; F88-L173 HydrophobicContact CZ-CD2 3.78Å; F88-V220 HydrophobicContact CE2-CG1 4.35Å |
| 89 | N | 89.6 | Confident | 87.8 | Confident | 16 Ų | 16 | 53.1 Ų | 53.1 | 9% | 0.086 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -103.6 | -12.5 | -172.2 | -62.7 | -18.9 | 0 | 0 | 0 | 113 | Y27 R28 L39 D61 H85 | Y27-N89 HydrophobicContact CD1-CB 4.38Å; R28-N89 PolarHBondContact N-OD1 3.03Å; R28-N89 PolarHBondContact O-ND2 3.07Å; R28-N89 PolarHBondContact O-OD1 2.98Å; L39-N89 HydrophobicContact CD1-CB 4.13Å; L39-N89 HydrophobicContact CD2-CB 4.38Å; D61-N89 WeakPolarHBondContact OD2-CB 3.24Å; D61-N89 PolarHBondContact OD2-ND2 3.44Å; H85-N89 CarbonylContact O-C 3.57Å; H85-N89 WeakPolarHBondContact O-CA 3.46Å; H85-N89 PolarHBondContact O-N 3.27Å |
| 90 | T | 86.9 | Confident | 87.6 | Confident | 49 Ų | 49 | 53.2 Ų | 53.2 | 30% | 0.301 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -113.7 | 135.8 | 179.8 | -49.7 | 0 | 0 | 0 | 0 | 111.2 | H85 I92 | H85-T90 PolarHBondContact CE1-OG1 3.26Å; H85-T90 VanDerWaalsContact CE1-OG1 3.31Å; H85-T90 PolarHBondContact NE2-OG1 3.46Å; H85-T90 VanDerWaalsContact NE2-OG1 3.07Å; H85-T90 PolarHBondContact O-N 3.24Å; H85-T90 PolarHBondContact O-OG1 2.92Å; T90-I92 HydrophobicContact CG2-CD1 4.11Å; T90-I92 HydrophobicContact CG2-CG1 3.57Å; T90-I92 PolarHBondContact O-N 3.01Å |
| 91 | K | 79.9 | Confident | 87.6 | Confident | 190 Ų | 190 | 58.1 Ų | 58.1 | 83% | 0.826 | 29% | 0.292 | S | S | * | . | trans | -89.2 | 80.2 | 174 | -66.4 | -179.2 | -177.4 | 176.3 | 0 | 109.9 | ||||
| 92 | I | 74 | Confident | 87.6 | Confident | 53 Ų | 53 | 56.2 Ų | 56.2 | 27% | 0.272 | 28% | 0.283 | S | S | . | . | trans | -89.9 | 123.8 | 174.6 | -54.9 | -166.8 | 0 | 0 | 0 | 109.3 | I86 T90 I94 H95 | I86-I92 HydrophobicContact CG2-CD1 3.54Å; T90-I92 HydrophobicContact CG2-CD1 4.11Å; T90-I92 HydrophobicContact CG2-CG1 3.57Å; T90-I92 PolarHBondContact O-N 3.01Å; I92-I94 HydrophobicContact CG2-CB 3.89Å; I92-I94 HydrophobicContact CG2-CG1 4.19Å; I92-H95 PolarHBondContact O-CD2 2.88Å; I92-H95 PolarHBondContact O-NE2 3.22Å | ||
| 93 | N | 76.4 | Confident | 87.5 | Confident | 151 Ų | 151 | 56.9 Ų | 56.9 | 81% | 0.807 | 29% | 0.287 | S | S | * | . | trans | -104.5 | 10.6 | 172.5 | -161.6 | 24.1 | 0 | 0 | 0 | 112.7 | ||||
| 94 | I | 82.3 | Confident | 87.6 | Confident | 107 Ų | 107 | 59.8 Ų | 59.8 | 55% | 0.549 | 30% | 0.302 | S | S | . | . | trans | -92.8 | -3.3 | -171 | -51.9 | 171.6 | 0 | 0 | 0 | 111.5 | I92 G96 K97 L98 | I92-I94 HydrophobicContact CG2-CB 3.89Å; I92-I94 HydrophobicContact CG2-CG1 4.19Å; I94-G96 VanDerWaalsContact C-N 3.3Å; I94-G96 PolarHBondContact O-N 3.16Å; I94-G96 VanDerWaalsContact O-N 3.17Å; I94-K97 HydrophobicContact CG2-CB 4.13Å; I94-K97 PolarHBondContact O-N 3.31Å; I94-K97 VanDerWaalsContact O-N 3.09Å; I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 PolarHBondContact O-N 3.36Å | ||
| 95 | H | 84 | Confident | 87.5 | Confident | 17 Ų | 17 | 59.1 Ų | 59.1 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -52.7 | -42.9 | -175.3 | -55.1 | -68.8 | 0 | 0 | 0 | 113.8 | I92 C99 L179 | I92-H95 PolarHBondContact O-CD2 2.88Å; I92-H95 PolarHBondContact O-NE2 3.22Å; H95-C99 WeakPolarHBondContact O-CB 3.33Å; H95-C99 PolarHBondContact O-N 3.31Å; H95-L179 HydrophobicContact CB-CB 4.45Å; H95-L179 HydrophobicContact CB-CD1 4.49Å |
| 96 | G | 84.1 | Confident | 87.4 | Confident | 45 Ų | 45 | 59.3 Ų | 59.3 | 46% | 0.464 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -67.2 | -45.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I94 L98 C99 M100 | I94-G96 VanDerWaalsContact C-N 3.3Å; I94-G96 PolarHBondContact O-N 3.16Å; I94-G96 VanDerWaalsContact O-N 3.17Å; G96-L98 VanDerWaalsContact C-N 3.34Å; G96-L98 PolarHBondContact O-N 2.9Å; G96-C99 WeakPolarHBondContact O-CB 3.26Å; G96-C99 PolarHBondContact O-N 2.95Å; G96-M100 WeakPolarHBondContact O-CG 3.21Å; G96-M100 PolarHBondContact O-N 3.48Å |
| 97 | K | 88.8 | Confident | 87.4 | Confident | 149 Ų | 149 | 58.4 Ų | 58.4 | 65% | 0.648 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -62 | -43.6 | 176.4 | -64.7 | -174.8 | 179 | -175.3 | 0 | 111.2 | I94 C99 M100 F101 | I94-K97 HydrophobicContact CG2-CB 4.13Å; I94-K97 PolarHBondContact O-N 3.31Å; I94-K97 VanDerWaalsContact O-N 3.09Å; K97-C99 VanDerWaalsContact C-N 3.33Å; K97-C99 PolarHBondContact O-N 2.9Å; K97-M100 WeakPolarHBondContact O-CB 3.49Å; K97-M100 PolarHBondContact O-N 2.95Å; K97-F101 WeakPolarHBondContact O-CD2 3.42Å; K97-F101 PolarHBondContact O-N 3.3Å |
| 98 | L | 88.8 | Confident | 87.4 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 17% | 0.168 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 176.6 | 179.1 | 63.3 | 0 | 0 | 0 | 111.5 | I94 G96 M100 F101 C102 L180 L186 | I94-L98 WeakPolarHBondContact O-CB 3.46Å; I94-L98 PolarHBondContact O-N 3.36Å; G96-L98 VanDerWaalsContact C-N 3.34Å; G96-L98 PolarHBondContact O-N 2.9Å; L98-M100 PolarHBondContact O-N 2.98Å; L98-F101 PolarHBondContact O-N 3.22Å; L98-C102 WeakPolarHBondContact O-CB 3.46Å; L98-C102 PolarHBondContact O-N 2.71Å; L98-C102 PolarHBondContact O-SG 2.97Å; L98-L180 HydrophobicContact CD2-CD1 4.06Å; L98-L186 HydrophobicContact CD1-CD1 3.67Å; L98-L186 HydrophobicContact CD1-CG 4.45Å |
| 99 | C | 89.8 | Confident | 87.3 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.8 | -46.9 | 175 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | H95 G96 K97 F101 C102 L103 L179 | H95-C99 WeakPolarHBondContact O-CB 3.33Å; H95-C99 PolarHBondContact O-N 3.31Å; G96-C99 WeakPolarHBondContact O-CB 3.26Å; G96-C99 PolarHBondContact O-N 2.95Å; K97-C99 VanDerWaalsContact C-N 3.33Å; K97-C99 PolarHBondContact O-N 2.9Å; C99-F101 VanDerWaalsContact C-N 3.35Å; C99-F101 PolarHBondContact O-N 3.49Å; C99-C102 WeakPolarHBondContact O-CB 3.34Å; C99-C102 PolarHBondContact O-N 3.46Å; C99-C102 VanDerWaalsContact O-N 3.13Å; C99-L103 WeakPolarHBondContact O-CG 3.47Å; C99-L103 PolarHBondContact O-N 2.95Å; C99-L179 HydrophobicContact CB-CD2 3.73Å; C99-L179 WeakPolarHBondContact SG-CD2 3.33Å |
| 100 | M | 91.3 | Very high | 87.1 | Confident | 94 Ų | 94 | 63 Ų | 63 | 46% | 0.463 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 176.7 | -68.1 | -57 | -61.3 | 0 | 0 | 112.1 | G96 K97 L98 C102 L103 L104 F139 | G96-M100 WeakPolarHBondContact O-CG 3.21Å; G96-M100 PolarHBondContact O-N 3.48Å; K97-M100 WeakPolarHBondContact O-CB 3.49Å; K97-M100 PolarHBondContact O-N 2.95Å; L98-M100 PolarHBondContact O-N 2.98Å; M100-C102 VanDerWaalsContact C-N 3.34Å; M100-C102 PolarHBondContact O-N 3.41Å; M100-L103 PolarHBondContact O-N 2.9Å; M100-L104 WeakPolarHBondContact O-CB 3.5Å; M100-L104 VanDerWaalsContact O-CG 3.29Å; M100-L104 WeakPolarHBondContact O-CG 3.17Å; M100-L104 PolarHBondContact O-N 3.45Å; M100-F139 HydrophobicContact CE-CE2 4.44Å; M100-F139 HydrophobicContact CE-CZ 3.75Å |
| 101 | F | 92 | Very high | 87.1 | Confident | 129 Ų | 129 | 63.3 Ų | 63.3 | 57% | 0.566 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -62.2 | -40.6 | 175.3 | -79.3 | -67.7 | 0 | 0 | 0 | 112.6 | K97 L98 C99 L104 C105 L186 | K97-F101 WeakPolarHBondContact O-CD2 3.42Å; K97-F101 PolarHBondContact O-N 3.3Å; L98-F101 PolarHBondContact O-N 3.22Å; C99-F101 VanDerWaalsContact C-N 3.35Å; C99-F101 PolarHBondContact O-N 3.49Å; F101-L104 PolarHBondContact O-N 3.01Å; F101-C105 WeakPolarHBondContact O-CB 3.49Å; F101-C105 PolarHBondContact O-N 2.88Å; F101-C105 PolarHBondContact O-SG 3.4Å; F101-L186 HydrophobicContact CB-CD2 3.99Å |
| 102 | C | 91.8 | Very high | 87.2 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 2% | 0.02 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 177.6 | -67 | 0 | 0 | 0 | 0 | 112 | L98 C99 M100 C105 E106 S182 K185 | L98-C102 WeakPolarHBondContact O-CB 3.46Å; L98-C102 PolarHBondContact O-N 2.71Å; L98-C102 PolarHBondContact O-SG 2.97Å; C99-C102 WeakPolarHBondContact O-CB 3.34Å; C99-C102 PolarHBondContact O-N 3.46Å; C99-C102 VanDerWaalsContact O-N 3.13Å; M100-C102 VanDerWaalsContact C-N 3.34Å; M100-C102 PolarHBondContact O-N 3.41Å; C102-C105 PolarHBondContact O-N 2.99Å; C102-E106 PolarHBondContact O-N 2.93Å; C102-E106 VanDerWaalsContact O-N 3.12Å; C102-S182 PolarHBondContact SG-O 3.1Å; C102-K185 HydrophobicContact CB-CB 3.95Å; C102-K185 HydrophobicContact CB-CD 4.16Å |
| 103 | L | 93 | Very high | 87.6 | Confident | 15 Ų | 15 | 58.6 Ų | 58.6 | 8% | 0.079 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 175 | -71 | 173 | 0 | 0 | 0 | 111.7 | C99 M100 C105 E106 A107 F139 Q146 | C99-L103 WeakPolarHBondContact O-CG 3.47Å; C99-L103 PolarHBondContact O-N 2.95Å; M100-L103 PolarHBondContact O-N 2.9Å; L103-C105 PolarHBondContact O-N 3.49Å; L103-E106 PolarHBondContact O-N 3.37Å; L103-A107 VanDerWaalsContact O-CB 3.32Å; L103-A107 WeakPolarHBondContact O-CB 3.38Å; L103-A107 PolarHBondContact O-N 3.1Å; L103-F139 HydrophobicContact CB-CD2 4.32Å; L103-F139 HydrophobicContact CB-CE2 3.62Å; L103-F139 HydrophobicContact CB-CZ 4.27Å; L103-F139 HydrophobicContact CD1-CZ 4.39Å; L103-Q146 HydrophobicContact CD2-CB 3.98Å; L103-Q146 HydrophobicContact CD2-CG 4.3Å |
| 104 | L | 92.4 | Very high | 87.6 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 36% | 0.356 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 176.1 | -71.6 | 170.2 | 0 | 0 | 0 | 111.9 | M100 F101 E106 A107 Y108 F135 F139 | M100-L104 WeakPolarHBondContact O-CB 3.5Å; M100-L104 VanDerWaalsContact O-CG 3.29Å; M100-L104 WeakPolarHBondContact O-CG 3.17Å; M100-L104 PolarHBondContact O-N 3.45Å; F101-L104 PolarHBondContact O-N 3.01Å; L104-E106 VanDerWaalsContact C-N 3.32Å; L104-E106 PolarHBondContact O-N 3.41Å; L104-A107 PolarHBondContact O-N 3.35Å; L104-Y108 WeakPolarHBondContact O-CB 3.47Å; L104-Y108 PolarHBondContact O-N 3.21Å; L104-F135 HydrophobicContact CD2-CE1 4.46Å; L104-F135 HydrophobicContact CD2-CZ 3.93Å; L104-F139 HydrophobicContact CD2-CD2 3.92Å; L104-F139 HydrophobicContact CD2-CE2 3.84Å; L104-F139 HydrophobicContact CG-CE2 4.09Å |
| 105 | C | 91.3 | Very high | 87.2 | Confident | 17 Ų | 17 | 52.7 Ų | 52.7 | 12% | 0.115 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 176.7 | -68.5 | 0 | 0 | 0 | 0 | 111.8 | F101 C102 L103 L109 L188 | F101-C105 WeakPolarHBondContact O-CB 3.49Å; F101-C105 PolarHBondContact O-N 2.88Å; F101-C105 PolarHBondContact O-SG 3.4Å; C102-C105 PolarHBondContact O-N 2.99Å; L103-C105 PolarHBondContact O-N 3.49Å; C105-L109 WeakPolarHBondContact O-CB 2.92Å; C105-L109 PolarHBondContact O-N 3.41Å; C105-L188 HydrophobicContact CB-CD1 4.46Å |
| 106 | E | 90.4 | Very high | 86.3 | Confident | 21 Ų | 21 | 56.7 Ų | 56.7 | 10% | 0.098 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -71.3 | -42.7 | 178.5 | -178.7 | 166.5 | -157.3 | 0 | 0 | 112.6 | C102 L103 L104 Y108 L109 R110 A142 K185 | C102-E106 PolarHBondContact O-N 2.93Å; C102-E106 VanDerWaalsContact O-N 3.12Å; L103-E106 PolarHBondContact O-N 3.37Å; L104-E106 VanDerWaalsContact C-N 3.32Å; L104-E106 PolarHBondContact O-N 3.41Å; E106-Y108 VanDerWaalsContact C-N 3.33Å; E106-Y108 PolarHBondContact O-N 3.14Å; E106-L109 PolarHBondContact O-N 3.04Å; E106-R110 WeakPolarHBondContact O-CG 3.48Å; E106-R110 PolarHBondContact O-N 2.81Å; E106-R110 IonicContact OE1-CZ 2.6Å; E106-R110 IonicContact OE1-NE 3.66Å; E106-R110 IonicContact OE1-NH2 3.08Å; E106-R110 PolarHBondContact OE1-NH2 3.13Å; E106-A142 HydrophobicContact CG-CB 4.12Å; E106-K185 WeakPolarHBondContact OE2-CE 3.44Å; E106-K185 IonicContact OE2-NZ 3.41Å; E106-K185 PolarHBondContact OE2-NZ 2.99Å |
| 107 | A | 91.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L103 L104 L109 R110 W111 F135 F139 | L103-A107 VanDerWaalsContact O-CB 3.32Å; L103-A107 WeakPolarHBondContact O-CB 3.38Å; L103-A107 PolarHBondContact O-N 3.1Å; L104-A107 PolarHBondContact O-N 3.35Å; A107-L109 PolarHBondContact O-N 3.45Å; A107-R110 PolarHBondContact O-N 2.82Å; A107-W111 VanDerWaalsContact O-CB 3.3Å; A107-W111 WeakPolarHBondContact O-CB 3.43Å; A107-W111 PolarHBondContact O-N 2.95Å; A107-F135 HydrophobicContact CB-CE2 4.11Å; A107-F135 HydrophobicContact CB-CZ 4.44Å; A107-F139 HydrophobicContact CB-CB 3.78Å; A107-F139 HydrophobicContact CB-CD2 3.97Å; A107-F139 HydrophobicContact CB-CG 4.39Å |
| 108 | Y | 88.1 | Confident | 84 | Confident | 108 Ų | 108 | 55.6 Ų | 55.6 | 42% | 0.424 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.6 | -46.1 | 176.2 | 176.5 | -99.6 | 0 | 0 | 0 | 111.8 | L104 E106 R110 W111 W112 V192 | L104-Y108 WeakPolarHBondContact O-CB 3.47Å; L104-Y108 PolarHBondContact O-N 3.21Å; E106-Y108 VanDerWaalsContact C-N 3.33Å; E106-Y108 PolarHBondContact O-N 3.14Å; Y108-R110 PolarHBondContact O-N 3.41Å; Y108-W111 HydrophobicContact CD2-CE3 4.09Å; Y108-W111 HydrophobicContact CD2-CZ3 4.29Å; Y108-W111 HydrophobicContact CE2-CE3 4.19Å; Y108-W111 HydrophobicContact CE2-CZ3 4.03Å; Y108-W111 PolarHBondContact O-N 3.21Å; Y108-W112 VanDerWaalsContact O-CB 3.29Å; Y108-W112 WeakPolarHBondContact O-CB 3.28Å; Y108-W112 PolarHBondContact O-N 3.35Å; Y108-V192 HydrophobicContact CE1-CG1 4.13Å |
| 109 | L | 86.9 | Confident | 82.5 | Confident | 15 Ų | 15 | 61.8 Ų | 61.8 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.8 | -46.7 | 178.2 | -179.4 | 75.5 | 0 | 0 | 0 | 111.8 | C105 E106 A107 W111 W112 Q113 L188 V192 L203 | C105-L109 WeakPolarHBondContact O-CB 2.92Å; C105-L109 PolarHBondContact O-N 3.41Å; E106-L109 PolarHBondContact O-N 3.04Å; A107-L109 PolarHBondContact O-N 3.45Å; L109-W111 VanDerWaalsContact C-N 3.35Å; L109-W112 PolarHBondContact O-N 3.33Å; L109-Q113 VanDerWaalsContact O-CG 3.29Å; L109-Q113 WeakPolarHBondContact O-CG 3.39Å; L109-Q113 PolarHBondContact O-N 3.05Å; L109-L188 HydrophobicContact CD2-CD1 4.12Å; L109-L188 HydrophobicContact CD2-CD2 3.86Å; L109-V192 HydrophobicContact CD1-CG2 3.37Å; L109-L203 HydrophobicContact CD1-CD1 4.13Å; L109-L203 HydrophobicContact CD1-CD2 3.83Å; L109-L203 HydrophobicContact CD2-CD1 4.17Å; L109-L203 HydrophobicContact CD2-CD2 3.64Å; L109-L203 HydrophobicContact CD2-CG 4.49Å; L109-L203 HydrophobicContact CG-CD2 4.39Å |
| 110 | R | 86.2 | Confident | 80.5 | Confident | 42 Ų | 42 | 68 Ų | 68 | 16% | 0.158 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 179.7 | -68.2 | 175.6 | -169.4 | -144.5 | -2.1 | 111.6 | E106 A107 Y108 Q113 L114 M138 E145 | E106-R110 WeakPolarHBondContact O-CG 3.48Å; E106-R110 PolarHBondContact O-N 2.81Å; E106-R110 IonicContact OE1-CZ 2.6Å; E106-R110 IonicContact OE1-NE 3.66Å; E106-R110 IonicContact OE1-NH2 3.08Å; E106-R110 PolarHBondContact OE1-NH2 3.13Å; A107-R110 PolarHBondContact O-N 2.82Å; Y108-R110 PolarHBondContact O-N 3.41Å; R110-Q113 PolarHBondContact O-N 3.44Å; R110-L114 WeakPolarHBondContact O-CG 3.44Å; R110-L114 PolarHBondContact O-N 2.82Å; R110-L114 VanDerWaalsContact O-N 3.08Å; R110-M138 HydrophobicContact CB-CB 4.27Å; R110-M138 HydrophobicContact CB-CG 4.09Å; R110-M138 HydrophobicContact CB-SD 3.8Å; R110-E145 IonicContact CZ-OE1 3.71Å; R110-E145 IonicContact CZ-OE2 3.59Å; R110-E145 VanDerWaalsContact CZ-OE2 3.27Å; R110-E145 IonicContact NH1-OE1 2.75Å; R110-E145 PolarHBondContact NH1-OE1 3.32Å; R110-E145 IonicContact NH1-OE2 3.27Å; R110-E145 PolarHBondContact NH1-OE2 3.47Å; R110-E145 VanDerWaalsContact NH1-OE2 3.08Å; R110-E145 IonicContact NH2-OE1 3.79Å; R110-E145 IonicContact NH2-OE2 2.66Å; R110-E145 PolarHBondContact NH2-OE2 3.45Å |
| 111 | W | 86.6 | Confident | 78.9 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 21% | 0.208 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -64.8 | -38.7 | 176.3 | 177.4 | 74.3 | 0 | 0 | 0 | 112.5 | A107 Y108 L109 L114 Q115 K131 F135 M138 | A107-W111 VanDerWaalsContact O-CB 3.3Å; A107-W111 WeakPolarHBondContact O-CB 3.43Å; A107-W111 PolarHBondContact O-N 2.95Å; Y108-W111 HydrophobicContact CD2-CE3 4.09Å; Y108-W111 HydrophobicContact CD2-CZ3 4.29Å; Y108-W111 HydrophobicContact CE2-CE3 4.19Å; Y108-W111 HydrophobicContact CE2-CZ3 4.03Å; Y108-W111 PolarHBondContact O-N 3.21Å; L109-W111 VanDerWaalsContact C-N 3.35Å; W111-L114 PolarHBondContact O-N 3.4Å; W111-Q115 PolarHBondContact O-N 2.93Å; W111-Q115 PolarHBondContact O-NE2 2.68Å; W111-K131 HydrophobicContact CZ2-CB 4.34Å; W111-K131 PolarHBondContact NE1-O 3Å; W111-F135 HydrophobicContact CB-CD2 4.26Å; W111-F135 HydrophobicContact CD2-CB 4.43Å; W111-F135 HydrophobicContact CD2-CD2 4.41Å; W111-F135 HydrophobicContact CG-CB 4.12Å; W111-F135 HydrophobicContact CG-CD2 4.26Å; W111-M138 HydrophobicContact CB-CG 4.47Å |
| 112 | W | 82.4 | Confident | 77.3 | Confident | 63 Ų | 63 | 67.4 Ų | 67.4 | 24% | 0.239 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -44.6 | 174.3 | -179.4 | 84.5 | 0 | 0 | 0 | 111.5 | Y108 L109 L114 Q115 D116 V192 | Y108-W112 VanDerWaalsContact O-CB 3.29Å; Y108-W112 WeakPolarHBondContact O-CB 3.28Å; Y108-W112 PolarHBondContact O-N 3.35Å; L109-W112 PolarHBondContact O-N 3.33Å; W112-L114 VanDerWaalsContact C-N 3.3Å; W112-L114 PolarHBondContact O-N 3.45Å; W112-Q115 PolarHBondContact O-N 3.28Å; W112-D116 PolarHBondContact O-N 2.91Å; W112-V192 HydrophobicContact CD2-CG1 4.41Å |
| 113 | Q | 81.3 | Confident | 75.7 | Confident | 80 Ų | 80 | 71.7 Ų | 71.7 | 37% | 0.374 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -34.7 | 176.8 | -72.7 | 175.8 | -29.5 | 0 | 0 | 113.3 | L109 R110 S117 L203 | L109-Q113 VanDerWaalsContact O-CG 3.29Å; L109-Q113 WeakPolarHBondContact O-CG 3.39Å; L109-Q113 PolarHBondContact O-N 3.05Å; R110-Q113 PolarHBondContact O-N 3.44Å; Q113-S117 PolarHBondContact O-N 3.12Å; Q113-S117 PolarHBondContact O-OG 3.46Å; Q113-S117 VanDerWaalsContact O-OG 3.13Å; Q113-L203 VanDerWaalsContact NE2-CD1 3.29Å |
| 114 | L | 77.4 | Confident | 74.4 | Confident | 79 Ų | 79 | 77.6 Ų | 77.6 | 41% | 0.414 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.4 | -38.6 | 176.8 | -76.1 | 165.4 | 0 | 0 | 0 | 112.4 | R110 W111 W112 S117 S118 M138 | R110-L114 WeakPolarHBondContact O-CG 3.44Å; R110-L114 PolarHBondContact O-N 2.82Å; R110-L114 VanDerWaalsContact O-N 3.08Å; W111-L114 PolarHBondContact O-N 3.4Å; W112-L114 VanDerWaalsContact C-N 3.3Å; W112-L114 PolarHBondContact O-N 3.45Å; L114-S117 WeakPolarHBondContact O-CB 3.35Å; L114-S117 PolarHBondContact O-N 3.13Å; L114-S118 WeakPolarHBondContact O-CB 3.4Å; L114-S118 PolarHBondContact O-N 2.98Å; L114-S118 PolarHBondContact O-OG 3.01Å; L114-M138 HydrophobicContact CD1-CE 3.3Å; L114-M138 HydrophobicContact CD1-CG 4.01Å; L114-M138 HydrophobicContact CD1-SD 3.68Å |
| 115 | Q | 73.6 | Confident | 72.9 | Confident | 55 Ų | 55 | 80.6 Ų | 80.6 | 26% | 0.257 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -66.2 | -38.2 | 178.1 | -82 | 176.7 | 91.5 | 0 | 0 | 113 | W111 W112 S117 S118 | W111-Q115 PolarHBondContact O-N 2.93Å; W111-Q115 PolarHBondContact O-NE2 2.68Å; W112-Q115 PolarHBondContact O-N 3.28Å; Q115-S117 PolarHBondContact O-N 3.01Å; Q115-S118 PolarHBondContact O-N 3.42Å; Q115-S118 VanDerWaalsContact O-N 3.09Å; Q115-S118 PolarHBondContact O-OG 3.38Å |
| 116 | D | 65.6 | Low | 71.6 | Confident | 101 Ų | 101 | 86.2 Ų | 86.2 | 54% | 0.54 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.1 | -34.3 | 174.5 | -165.6 | 52.1 | 0 | 0 | 0 | 111.3 | W112 | W112-D116 PolarHBondContact O-N 2.91Å |
| 117 | S | 63.1 | Low | 70.3 | Confident | 100 Ų | 100 | 87.3 Ų | 87.3 | 70% | 0.699 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -76.9 | -18.7 | 177 | -54.8 | 0 | 0 | 0 | 0 | 114 | Q113 L114 Q115 | Q113-S117 PolarHBondContact O-N 3.12Å; Q113-S117 PolarHBondContact O-OG 3.46Å; Q113-S117 VanDerWaalsContact O-OG 3.13Å; L114-S117 WeakPolarHBondContact O-CB 3.35Å; L114-S117 PolarHBondContact O-N 3.13Å; Q115-S117 PolarHBondContact O-N 3.01Å |
| 118 | S | 60.4 | Low | 69.2 | Low | 71 Ų | 71 | 94.9 Ų | 94.9 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | 23.3 | -166.9 | 81 | 0 | 0 | 0 | 0 | 114.7 | L114 Q115 N120 | L114-S118 WeakPolarHBondContact O-CB 3.4Å; L114-S118 PolarHBondContact O-N 2.98Å; L114-S118 PolarHBondContact O-OG 3.01Å; Q115-S118 PolarHBondContact O-N 3.42Å; Q115-S118 VanDerWaalsContact O-N 3.09Å; Q115-S118 PolarHBondContact O-OG 3.38Å; S118-N120 PolarHBondContact O-N 3.5Å |
| 119 | Q | 56.9 | Low | 68 | Low | 162 Ų | 162 | 96.3 Ų | 96.3 | 76% | 0.757 | 50% | 0.503 | S | S | * | . | trans | -65.7 | 53.7 | 178.2 | -72.6 | -169.4 | 2 | 0 | 0 | 114.4 | ||||
| 120 | N | 48.5 | Very low | 67 | Low | 149 Ų | 149 | 97.7 Ų | 97.7 | 80% | 0.797 | 52% | 0.517 | S | S | * | . | trans | -116.9 | 125.1 | 170.4 | -73.2 | -55.3 | 0 | 0 | 0 | 111 | S118 | S118-N120 PolarHBondContact O-N 3.5Š| ||
| 121 | T | 58.4 | Low | 66.2 | Low | 149 Ų | 149 | 99.7 Ų | 99.7 | 91% | 0.914 | 53% | 0.527 | S | S | * | . | trans | -57.5 | 121.8 | -170.6 | -47.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 122 | A | 56.6 | Low | 65.8 | Low | 62 Ų | 62 | 101.3 Ų | 101.3 | 51% | 0.512 | 54% | 0.537 | S | S | . | . | trans | -158.7 | 179.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I127 | A122-I127 HydrophobicContact CB-CD1 4.16Å; A122-I127 WeakPolarHBondContact O-CD1 3.08Å | ||
| 123 | P | 59 | Low | 65.8 | Low | 94 Ų | 94 | 105.1 Ų | 105.1 | 61% | 0.61 | 55% | 0.551 | S | S | * | * | trans | -83.9 | 148.3 | -156.8 | 33.2 | -34.3 | 0 | 0 | 0 | 116.4 | D125 I127 | P123-D125 PolarHBondContact O-N 2.87Å; P123-I127 WeakPolarHBondContact O-CD1 3.32Å; P123-I127 WeakPolarHBondContact O-CG1 3.38Å; P123-I127 PolarHBondContact O-N 3.38Å | ||
| 124 | D | 65.1 | Low | 65.9 | Low | 138 Ų | 138 | 104.5 Ų | 104.5 | 74% | 0.738 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -66.4 | -32.5 | -155.7 | -71.5 | -41.6 | 0 | 0 | 0 | 117.7 | R128 | D124-R128 PolarHBondContact O-N 3.19Å; D124-R128 VanDerWaalsContact O-N 3.13Å |
| 125 | D | 61.9 | Low | 66.3 | Low | 132 Ų | 132 | 103.1 Ų | 103.1 | 71% | 0.706 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -84.2 | -41.5 | -171.7 | -74.9 | -32.9 | 0 | 0 | 0 | 114 | P123 I127 R128 Y129 | P123-D125 PolarHBondContact O-N 2.87Å; D125-I127 VanDerWaalsContact C-N 3.26Å; D125-I127 PolarHBondContact O-N 3.26Å; D125-R128 PolarHBondContact O-N 2.93Å; D125-Y129 PolarHBondContact O-N 3.1Å |
| 126 | L | 63.5 | Low | 67.1 | Low | 135 Ų | 135 | 107 Ų | 107 | 71% | 0.707 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.3 | -35.6 | 172.3 | -174.5 | 74.5 | 0 | 0 | 0 | 110.5 | A130 | L126-A130 VanDerWaalsContact O-CB 3.24Å; L126-A130 WeakPolarHBondContact O-CB 3.34Å; L126-A130 PolarHBondContact O-N 3.28Å |
| 127 | I | 63.8 | Low | 68.1 | Low | 43 Ų | 43 | 107.8 Ų | 107.8 | 22% | 0.221 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -65.8 | -39.6 | 177.5 | -73.7 | 178.1 | 0 | 0 | 0 | 111.7 | A122 P123 D125 A130 K131 | A122-I127 HydrophobicContact CB-CD1 4.16Å; A122-I127 WeakPolarHBondContact O-CD1 3.08Å; P123-I127 WeakPolarHBondContact O-CD1 3.32Å; P123-I127 WeakPolarHBondContact O-CG1 3.38Å; P123-I127 PolarHBondContact O-N 3.38Å; D125-I127 VanDerWaalsContact C-N 3.26Å; D125-I127 PolarHBondContact O-N 3.26Å; I127-A130 PolarHBondContact O-N 2.97Å; I127-K131 HydrophobicContact CG2-CD 3.63Å; I127-K131 HydrophobicContact CG2-CG 4.1Å; I127-K131 VanDerWaalsContact CG2-NZ 3.34Å; I127-K131 WeakPolarHBondContact O-CB 3.39Å; I127-K131 WeakPolarHBondContact O-CG 3.26Å; I127-K131 PolarHBondContact O-N 3.11Å |
| 128 | R | 67.4 | Low | 69.4 | Low | 159 Ų | 159 | 104.1 Ų | 104.1 | 60% | 0.6 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.6 | -45.1 | 179.2 | -170.6 | 155.1 | 69.5 | 107.8 | -5.2 | 111.5 | D124 D125 K131 E132 | D124-R128 PolarHBondContact O-N 3.19Å; D124-R128 VanDerWaalsContact O-N 3.13Å; D125-R128 PolarHBondContact O-N 2.93Å; R128-K131 PolarHBondContact O-N 3.5Å; R128-E132 WeakPolarHBondContact O-CG 3.43Å; R128-E132 PolarHBondContact O-N 3.1Å; R128-E132 VanDerWaalsContact O-N 3.16Å |
| 129 | Y | 63.5 | Low | 70.9 | Confident | 138 Ų | 138 | 102.8 Ų | 102.8 | 54% | 0.541 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.1 | -43.7 | 176.4 | -172.4 | -107.6 | 0 | 0 | 0 | 112.5 | D125 K131 E132 W133 | D125-Y129 PolarHBondContact O-N 3.1Å; Y129-K131 PolarHBondContact O-N 3.07Å; Y129-E132 PolarHBondContact O-N 3.37Å; Y129-W133 AromaticContact CD1-CD1 3.65Å; Y129-W133 AromaticContact CD1-NE1 3.76Å; Y129-W133 AromaticContact CE1-CD1 3.39Å; Y129-W133 AromaticContact CE1-NE1 3.02Å; Y129-W133 AromaticContact CE2-NE1 3.54Å; Y129-W133 AromaticContact CZ-CD1 3.66Å; Y129-W133 AromaticContact CZ-CE2 3.98Å; Y129-W133 AromaticContact CZ-NE1 2.91Å; Y129-W133 VanDerWaalsContact O-CD1 3.28Å; Y129-W133 PolarHBondContact O-N 2.76Å; Y129-W133 VanDerWaalsContact O-N 3.1Å; Y129-W133 PolarHBondContact OH-NE1 2.9Å |
| 130 | A | 66.2 | Low | 72.6 | Confident | 44 Ų | 44 | 98.5 Ų | 98.5 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -41.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L126 I127 E132 W133 D134 | L126-A130 VanDerWaalsContact O-CB 3.24Å; L126-A130 WeakPolarHBondContact O-CB 3.34Å; L126-A130 PolarHBondContact O-N 3.28Å; I127-A130 PolarHBondContact O-N 2.97Å; A130-E132 VanDerWaalsContact C-N 3.34Å; A130-E132 PolarHBondContact O-N 3.03Å; A130-W133 PolarHBondContact O-N 2.73Å; A130-D134 PolarHBondContact O-N 3.26Å |
| 131 | K | 69.8 | Low | 74.6 | Confident | 85 Ų | 85 | 92.2 Ų | 92.2 | 37% | 0.37 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.5 | -36.7 | 176.7 | -79.4 | 175.9 | 177.4 | 165.7 | 0 | 112.8 | W111 I127 R128 Y129 F135 | W111-K131 HydrophobicContact CZ2-CB 4.34Å; W111-K131 PolarHBondContact NE1-O 3Å; I127-K131 HydrophobicContact CG2-CD 3.63Å; I127-K131 HydrophobicContact CG2-CG 4.1Å; I127-K131 VanDerWaalsContact CG2-NZ 3.34Å; I127-K131 WeakPolarHBondContact O-CB 3.39Å; I127-K131 WeakPolarHBondContact O-CG 3.26Å; I127-K131 PolarHBondContact O-N 3.11Å; R128-K131 PolarHBondContact O-N 3.5Å; Y129-K131 PolarHBondContact O-N 3.07Å; K131-F135 PolarHBondContact O-N 3.18Å |
| 132 | E | 78.2 | Confident | 76.2 | Confident | 89 Ų | 89 | 85.1 Ų | 85.1 | 42% | 0.416 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -67 | -41.5 | 174.7 | -73.2 | 172.7 | -169.3 | 0 | 0 | 111.3 | R128 Y129 A130 F135 Y136 | R128-E132 WeakPolarHBondContact O-CG 3.43Å; R128-E132 PolarHBondContact O-N 3.1Å; R128-E132 VanDerWaalsContact O-N 3.16Å; Y129-E132 PolarHBondContact O-N 3.37Å; A130-E132 VanDerWaalsContact C-N 3.34Å; A130-E132 PolarHBondContact O-N 3.03Å; E132-F135 WeakPolarHBondContact O-CB 3.28Å; E132-F135 PolarHBondContact O-N 2.62Å; E132-Y136 HydrophobicContact CB-CE2 4.38Å; E132-Y136 WeakPolarHBondContact O-CD2 3.37Å; E132-Y136 PolarHBondContact O-N 3.05Å; E132-Y136 VanDerWaalsContact O-N 3.13Å |
| 133 | W | 80.6 | Confident | 78 | Confident | 142 Ų | 142 | 83.8 Ų | 83.8 | 54% | 0.538 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 175.1 | -86 | 105.3 | 0 | 0 | 0 | 113.6 | Y129 A130 F135 Y136 R137 | Y129-W133 AromaticContact CD1-CD1 3.65Å; Y129-W133 AromaticContact CD1-NE1 3.76Å; Y129-W133 AromaticContact CE1-CD1 3.39Å; Y129-W133 AromaticContact CE1-NE1 3.02Å; Y129-W133 AromaticContact CE2-NE1 3.54Å; Y129-W133 AromaticContact CZ-CD1 3.66Å; Y129-W133 AromaticContact CZ-CE2 3.98Å; Y129-W133 AromaticContact CZ-NE1 2.91Å; Y129-W133 VanDerWaalsContact O-CD1 3.28Å; Y129-W133 PolarHBondContact O-N 2.76Å; Y129-W133 VanDerWaalsContact O-N 3.1Å; Y129-W133 PolarHBondContact OH-NE1 2.9Å; A130-W133 PolarHBondContact O-N 2.73Å; W133-F135 PolarHBondContact O-N 3.06Å; W133-Y136 PolarHBondContact O-N 3.17Å; W133-R137 WeakPolarHBondContact O-CB 3.39Å; W133-R137 PolarHBondContact O-N 3.27Å |
| 134 | D | 84.3 | Confident | 79.7 | Confident | 68 Ų | 68 | 84.1 Ų | 84.1 | 36% | 0.364 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -60.8 | -37.9 | 175.9 | -73.3 | -31.4 | 0 | 0 | 0 | 111.3 | A130 R137 M138 | A130-D134 PolarHBondContact O-N 3.26Å; D134-R137 PolarHBondContact O-N 3.11Å; D134-M138 VanDerWaalsContact O-CG 3.24Å; D134-M138 WeakPolarHBondContact O-CG 3.48Å; D134-M138 PolarHBondContact O-N 2.82Å |
| 135 | F | 86.8 | Confident | 81 | Confident | 49 Ų | 49 | 78.1 Ų | 78.1 | 22% | 0.215 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 173.9 | 174.9 | -95.6 | 0 | 0 | 0 | 112.2 | L104 A107 W111 K131 E132 W133 R137 M138 F139 | L104-F135 HydrophobicContact CD2-CE1 4.46Å; L104-F135 HydrophobicContact CD2-CZ 3.93Å; A107-F135 HydrophobicContact CB-CE2 4.11Å; A107-F135 HydrophobicContact CB-CZ 4.44Å; W111-F135 HydrophobicContact CB-CD2 4.26Å; W111-F135 HydrophobicContact CD2-CB 4.43Å; W111-F135 HydrophobicContact CD2-CD2 4.41Å; W111-F135 HydrophobicContact CG-CB 4.12Å; W111-F135 HydrophobicContact CG-CD2 4.26Å; K131-F135 PolarHBondContact O-N 3.18Å; E132-F135 WeakPolarHBondContact O-CB 3.28Å; E132-F135 PolarHBondContact O-N 2.62Å; W133-F135 PolarHBondContact O-N 3.06Å; F135-R137 VanDerWaalsContact C-N 3.31Å; F135-R137 PolarHBondContact O-N 2.86Å; F135-M138 PolarHBondContact O-N 3.39Å; F135-F139 PolarHBondContact O-N 3.32Å |
| 136 | Y | 88.4 | Confident | 82.4 | Confident | 136 Ų | 136 | 72.8 Ų | 72.8 | 53% | 0.533 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 178.6 | -68.2 | -63 | 0 | 0 | 0 | 112.1 | E132 W133 F139 V140 | E132-Y136 HydrophobicContact CB-CE2 4.38Å; E132-Y136 WeakPolarHBondContact O-CD2 3.37Å; E132-Y136 PolarHBondContact O-N 3.05Å; E132-Y136 VanDerWaalsContact O-N 3.13Å; W133-Y136 PolarHBondContact O-N 3.17Å; Y136-F139 WeakPolarHBondContact O-CB 3.46Å; Y136-F139 PolarHBondContact O-N 2.81Å; Y136-V140 WeakPolarHBondContact O-CG2 3.25Å; Y136-V140 PolarHBondContact O-N 3.14Å |
| 137 | R | 88.4 | Confident | 83.9 | Confident | 118 Ų | 118 | 69 Ų | 69 | 45% | 0.445 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 174.2 | -179.5 | -177.9 | 174.2 | 177.1 | 3.2 | 111.3 | W133 D134 F135 F139 V140 I141 E251 | W133-R137 WeakPolarHBondContact O-CB 3.39Å; W133-R137 PolarHBondContact O-N 3.27Å; D134-R137 PolarHBondContact O-N 3.11Å; F135-R137 VanDerWaalsContact C-N 3.31Å; F135-R137 PolarHBondContact O-N 2.86Å; R137-F139 VanDerWaalsContact C-N 3.27Å; R137-F139 PolarHBondContact O-N 3.29Å; R137-V140 PolarHBondContact O-N 3.46Å; R137-I141 HydrophobicContact CG-CD1 3.93Å; R137-I141 WeakPolarHBondContact O-CG1 3.49Å; R137-I141 PolarHBondContact O-N 3.38Å; R137-E251 IonicContact CZ-OE1 3.78Å; R137-E251 IonicContact NE-OE1 3.99Å; R137-E251 PolarHBondContact NE-OE1 2.96Å; R137-E251 VanDerWaalsContact NH2-CG 3.26Å; R137-E251 IonicContact NH2-OE1 3.33Å; R137-E251 PolarHBondContact NH2-OE1 2.96Å; R137-E251 IonicContact NH2-OE2 2.62Å |
| 138 | M | 89 | Confident | 85.4 | Confident | 23 Ų | 23 | 67.2 Ų | 67.2 | 11% | 0.113 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.8 | -37 | 176.8 | -69.9 | -60.4 | 133 | 0 | 0 | 112.2 | R110 W111 L114 D134 F135 I141 A142 | R110-M138 HydrophobicContact CB-CB 4.27Å; R110-M138 HydrophobicContact CB-CG 4.09Å; R110-M138 HydrophobicContact CB-SD 3.8Å; W111-M138 HydrophobicContact CB-CG 4.47Å; L114-M138 HydrophobicContact CD1-CE 3.3Å; L114-M138 HydrophobicContact CD1-CG 4.01Å; L114-M138 HydrophobicContact CD1-SD 3.68Å; D134-M138 VanDerWaalsContact O-CG 3.24Å; D134-M138 WeakPolarHBondContact O-CG 3.48Å; D134-M138 PolarHBondContact O-N 2.82Å; F135-M138 PolarHBondContact O-N 3.39Å; M138-I141 HydrophobicContact CE-CD1 4.36Å; M138-A142 VanDerWaalsContact O-CB 3.27Å; M138-A142 WeakPolarHBondContact O-CB 3.13Å; M138-A142 PolarHBondContact O-N 3.29Å |
| 139 | F | 92.5 | Very high | 86.7 | Confident | 43 Ų | 43 | 60 Ų | 60 | 19% | 0.189 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.3 | -43.5 | 175.5 | -179.2 | -94.3 | 0 | 0 | 0 | 112.9 | M100 L103 L104 A107 F135 Y136 R137 A142 S143 | M100-F139 HydrophobicContact CE-CE2 4.44Å; M100-F139 HydrophobicContact CE-CZ 3.75Å; L103-F139 HydrophobicContact CB-CD2 4.32Å; L103-F139 HydrophobicContact CB-CE2 3.62Å; L103-F139 HydrophobicContact CB-CZ 4.27Å; L103-F139 HydrophobicContact CD1-CZ 4.39Å; L104-F139 HydrophobicContact CD2-CD2 3.92Å; L104-F139 HydrophobicContact CD2-CE2 3.84Å; L104-F139 HydrophobicContact CG-CE2 4.09Å; A107-F139 HydrophobicContact CB-CB 3.78Å; A107-F139 HydrophobicContact CB-CD2 3.97Å; A107-F139 HydrophobicContact CB-CG 4.39Å; F135-F139 PolarHBondContact O-N 3.32Å; Y136-F139 WeakPolarHBondContact O-CB 3.46Å; Y136-F139 PolarHBondContact O-N 2.81Å; R137-F139 VanDerWaalsContact C-N 3.27Å; R137-F139 PolarHBondContact O-N 3.29Å; F139-A142 PolarHBondContact O-N 3.24Å; F139-S143 WeakPolarHBondContact O-CB 3.31Å; F139-S143 PolarHBondContact O-N 2.82Å; F139-S143 PolarHBondContact O-OG 3.45Å |
| 140 | V | 92.3 | Very high | 88.2 | Confident | 72 Ų | 72 | 54.3 Ų | 54.3 | 44% | 0.436 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.5 | -45.6 | 177.1 | 170.6 | 0 | 0 | 0 | 0 | 110.8 | Y136 R137 S143 F144 | Y136-V140 WeakPolarHBondContact O-CG2 3.25Å; Y136-V140 PolarHBondContact O-N 3.14Å; R137-V140 PolarHBondContact O-N 3.46Å; V140-S143 WeakPolarHBondContact O-CB 3.48Å; V140-S143 PolarHBondContact O-N 2.98Å; V140-F144 HydrophobicContact CG1-CD2 3.64Å; V140-F144 HydrophobicContact CG1-CE2 3.45Å; V140-F144 VanDerWaalsContact CG1-CE2 3.45Å; V140-F144 VanDerWaalsContact O-CD2 3.26Å; V140-F144 WeakPolarHBondContact O-CD2 3.41Å; V140-F144 PolarHBondContact O-N 2.96Å |
| 141 | I | 91.2 | Very high | 89.5 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 9% | 0.087 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.8 | -50.2 | 176.7 | -66.5 | 168 | 0 | 0 | 0 | 110.4 | R137 M138 S143 F144 E145 F247 | R137-I141 HydrophobicContact CG-CD1 3.93Å; R137-I141 WeakPolarHBondContact O-CG1 3.49Å; R137-I141 PolarHBondContact O-N 3.38Å; M138-I141 HydrophobicContact CE-CD1 4.36Å; I141-S143 PolarHBondContact O-N 3.49Å; I141-F144 PolarHBondContact O-N 2.75Å; I141-F144 VanDerWaalsContact O-N 3.13Å; I141-E145 HydrophobicContact CG2-CG 4.46Å; I141-E145 VanDerWaalsContact CG2-OE1 3.26Å; I141-E145 WeakPolarHBondContact CG2-OE1 3.47Å; I141-E145 WeakPolarHBondContact O-CG 3.29Å; I141-E145 PolarHBondContact O-N 3.44Å; I141-F247 HydrophobicContact CG2-CD2 4.48Å |
| 142 | A | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.1 | -36.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | E106 M138 F139 Q146 | E106-A142 HydrophobicContact CG-CB 4.12Å; M138-A142 VanDerWaalsContact O-CB 3.27Å; M138-A142 WeakPolarHBondContact O-CB 3.13Å; M138-A142 PolarHBondContact O-N 3.29Å; F139-A142 PolarHBondContact O-N 3.24Å; A142-Q146 WeakPolarHBondContact O-CB 3.35Å; A142-Q146 PolarHBondContact O-N 2.93Å |
| 143 | S | 93.5 | Very high | 91.4 | Very high | 34 Ų | 34 | 46.5 Ų | 46.5 | 24% | 0.238 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.2 | -43.9 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 112.1 | F139 V140 I141 Q146 A147 | F139-S143 WeakPolarHBondContact O-CB 3.31Å; F139-S143 PolarHBondContact O-N 2.82Å; F139-S143 PolarHBondContact O-OG 3.45Å; V140-S143 WeakPolarHBondContact O-CB 3.48Å; V140-S143 PolarHBondContact O-N 2.98Å; I141-S143 PolarHBondContact O-N 3.49Å; S143-Q146 PolarHBondContact O-N 2.82Å; S143-A147 VanDerWaalsContact O-CB 3.3Å; S143-A147 WeakPolarHBondContact O-CB 3.45Å; S143-A147 PolarHBondContact O-N 3.41Å |
| 144 | F | 94.1 | Very high | 92 | Very high | 101 Ų | 101 | 41.9 Ų | 41.9 | 44% | 0.443 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.5 | -41.2 | 176.9 | -82.3 | -63.3 | 0 | 0 | 0 | 112.6 | V140 I141 A147 A148 F247 | V140-F144 HydrophobicContact CG1-CD2 3.64Å; V140-F144 HydrophobicContact CG1-CE2 3.45Å; V140-F144 VanDerWaalsContact CG1-CE2 3.45Å; V140-F144 VanDerWaalsContact O-CD2 3.26Å; V140-F144 WeakPolarHBondContact O-CD2 3.41Å; V140-F144 PolarHBondContact O-N 2.96Å; I141-F144 PolarHBondContact O-N 2.75Å; I141-F144 VanDerWaalsContact O-N 3.13Å; F144-A147 PolarHBondContact O-N 3.35Å; F144-A148 VanDerWaalsContact O-CB 3.28Å; F144-A148 WeakPolarHBondContact O-CB 3.41Å; F144-A148 PolarHBondContact O-N 2.9Å; F144-F247 HydrophobicContact CB-CE2 3.72Å; F144-F247 HydrophobicContact CB-CZ 3.8Å; F144-F247 HydrophobicContact CD2-CE2 4.48Å; F144-F247 AromaticContact CD2-CZ 3.71Å; F144-F247 HydrophobicContact CD2-CZ 3.71Å; F144-F247 HydrophobicContact CE2-CZ 4.49Å; F144-F247 HydrophobicContact CG-CE2 4.31Å; F144-F247 AromaticContact CG-CZ 3.87Å; F144-F247 HydrophobicContact CG-CZ 3.87Å |
| 145 | E | 92.5 | Very high | 92.4 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.061 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.3 | -45.1 | 175.5 | -72.5 | 177.7 | -157.2 | 0 | 0 | 111.7 | R110 I141 A147 A148 F149 E240 V244 | R110-E145 IonicContact CZ-OE1 3.71Å; R110-E145 IonicContact CZ-OE2 3.59Å; R110-E145 VanDerWaalsContact CZ-OE2 3.27Å; R110-E145 IonicContact NH1-OE1 2.75Å; R110-E145 PolarHBondContact NH1-OE1 3.32Å; R110-E145 IonicContact NH1-OE2 3.27Å; R110-E145 PolarHBondContact NH1-OE2 3.47Å; R110-E145 VanDerWaalsContact NH1-OE2 3.08Å; R110-E145 IonicContact NH2-OE1 3.79Å; R110-E145 IonicContact NH2-OE2 2.66Å; R110-E145 PolarHBondContact NH2-OE2 3.45Å; I141-E145 HydrophobicContact CG2-CG 4.46Å; I141-E145 VanDerWaalsContact CG2-OE1 3.26Å; I141-E145 WeakPolarHBondContact CG2-OE1 3.47Å; I141-E145 WeakPolarHBondContact O-CG 3.29Å; I141-E145 PolarHBondContact O-N 3.44Å; E145-A147 VanDerWaalsContact C-N 3.33Å; E145-A147 PolarHBondContact O-N 3.12Å; E145-A148 WeakPolarHBondContact O-CB 3.5Å; E145-A148 PolarHBondContact O-N 3.49Å; E145-F149 WeakPolarHBondContact O-CB 3.49Å; E145-F149 PolarHBondContact O-N 3.29Å; E145-E240 HydrophobicContact CB-CG 4.33Å; E145-V244 VanDerWaalsContact CD-CG2 3.49Å; E145-V244 HydrophobicContact CG-CG2 3.87Å; E145-V244 WeakPolarHBondContact OE1-CG2 3.47Å |
| 146 | Q | 93.3 | Very high | 92.6 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 9% | 0.089 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.8 | -174.1 | 61.2 | 52.4 | 0 | 0 | 111.9 | L103 A142 S143 A148 F149 F150 | L103-Q146 HydrophobicContact CD2-CB 3.98Å; L103-Q146 HydrophobicContact CD2-CG 4.3Å; A142-Q146 WeakPolarHBondContact O-CB 3.35Å; A142-Q146 PolarHBondContact O-N 2.93Å; S143-Q146 PolarHBondContact O-N 2.82Å; Q146-A148 VanDerWaalsContact C-N 3.35Å; Q146-F149 PolarHBondContact O-N 3.17Å; Q146-F150 HydrophobicContact CG-CD2 4.39Å; Q146-F150 HydrophobicContact CG-CE2 3.94Å; Q146-F150 HydrophobicContact CG-CZ 4.21Å; Q146-F150 WeakPolarHBondContact O-CG 3.4Å; Q146-F150 PolarHBondContact O-N 3.23Å; Q146-F150 VanDerWaalsContact O-N 3.12Å |
| 147 | A | 94.3 | Very high | 92.6 | Very high | 55 Ų | 55 | 34.8 Ų | 34.8 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.1 | -41.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | S143 F144 E145 F150 A151 | S143-A147 VanDerWaalsContact O-CB 3.3Å; S143-A147 WeakPolarHBondContact O-CB 3.45Å; S143-A147 PolarHBondContact O-N 3.41Å; F144-A147 PolarHBondContact O-N 3.35Å; E145-A147 VanDerWaalsContact C-N 3.33Å; E145-A147 PolarHBondContact O-N 3.12Å; A147-F150 PolarHBondContact O-N 3.38Å; A147-A151 VanDerWaalsContact O-CB 3.25Å; A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 2.96Å |
| 148 | A | 95.4 | Very high | 92.6 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 5% | 0.05 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -45.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | F144 E145 Q146 F150 A151 G152 L239 M243 | F144-A148 VanDerWaalsContact O-CB 3.28Å; F144-A148 WeakPolarHBondContact O-CB 3.41Å; F144-A148 PolarHBondContact O-N 2.9Å; E145-A148 WeakPolarHBondContact O-CB 3.5Å; E145-A148 PolarHBondContact O-N 3.49Å; Q146-A148 VanDerWaalsContact C-N 3.35Å; A148-F150 VanDerWaalsContact C-N 3.31Å; A148-F150 PolarHBondContact O-N 3Å; A148-A151 PolarHBondContact O-N 3.22Å; A148-G152 PolarHBondContact O-N 3.21Å; A148-L239 HydrophobicContact CB-CD2 4.25Å; A148-L239 HydrophobicContact CB-CG 4.49Å; A148-L239 WeakPolarHBondContact O-CD2 3.33Å; A148-M243 HydrophobicContact CB-CB 4.05Å; A148-M243 HydrophobicContact CB-CE 4.34Å; A148-M243 HydrophobicContact CB-CG 3.55Å |
| 149 | F | 94.8 | Very high | 92.5 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 4% | 0.035 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -55.2 | -47.6 | 175.3 | 177.1 | -103.6 | 0 | 0 | 0 | 111.7 | E145 Q146 I153 L211 N214 G236 E240 | E145-F149 WeakPolarHBondContact O-CB 3.49Å; E145-F149 PolarHBondContact O-N 3.29Å; Q146-F149 PolarHBondContact O-N 3.17Å; F149-I153 HydrophobicContact CD1-CD1 3.91Å; F149-I153 HydrophobicContact CE1-CD1 3.39Å; F149-I153 HydrophobicContact CE2-CD1 4.14Å; F149-I153 HydrophobicContact CG-CD1 4.48Å; F149-I153 HydrophobicContact CZ-CD1 3.52Å; F149-I153 WeakPolarHBondContact O-CG1 3.44Å; F149-I153 PolarHBondContact O-N 3.13Å; F149-L211 HydrophobicContact CE2-CD1 4.22Å; F149-L211 HydrophobicContact CZ-CD1 4.43Å; F149-N214 HydrophobicContact CE1-CB 4.23Å; F149-N214 HydrophobicContact CZ-CB 4.13Å; F149-G236 VanDerWaalsContact CD2-C 3.45Å; F149-G236 WeakPolarHBondContact O-CA 3.45Å; F149-E240 HydrophobicContact CB-CB 4.22Å; F149-E240 VanDerWaalsContact CD2-OE2 3.32Å; F149-E240 WeakPolarHBondContact CD2-OE2 3.2Å |
| 150 | F | 94.4 | Very high | 92 | Very high | 18 Ų | 18 | 41.2 Ų | 41.2 | 8% | 0.079 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 175.6 | -67.5 | -20.2 | 0 | 0 | 0 | 112.5 | Q146 A147 A148 G152 I153 F154 L175 L178 L179 | Q146-F150 HydrophobicContact CG-CD2 4.39Å; Q146-F150 HydrophobicContact CG-CE2 3.94Å; Q146-F150 HydrophobicContact CG-CZ 4.21Å; Q146-F150 WeakPolarHBondContact O-CG 3.4Å; Q146-F150 PolarHBondContact O-N 3.23Å; Q146-F150 VanDerWaalsContact O-N 3.12Å; A147-F150 PolarHBondContact O-N 3.38Å; A148-F150 VanDerWaalsContact C-N 3.31Å; A148-F150 PolarHBondContact O-N 3Å; F150-G152 VanDerWaalsContact C-N 3.29Å; F150-G152 PolarHBondContact O-N 2.95Å; F150-I153 PolarHBondContact O-N 2.75Å; F150-F154 HydrophobicContact CB-CD2 4.34Å; F150-F154 HydrophobicContact CB-CE2 4.29Å; F150-F154 WeakPolarHBondContact O-CD2 3.46Å; F150-F154 PolarHBondContact O-N 3.2Å; F150-L175 HydrophobicContact CD2-CD1 4.47Å; F150-L178 HydrophobicContact CD1-CB 3.98Å; F150-L178 HydrophobicContact CD1-CD1 4Å; F150-L178 HydrophobicContact CD1-CG 4.42Å; F150-L178 HydrophobicContact CE1-CB 3.56Å; F150-L178 HydrophobicContact CE1-CD1 4.42Å; F150-L178 HydrophobicContact CE1-CD2 4.5Å; F150-L178 HydrophobicContact CE1-CG 4.37Å; F150-L178 HydrophobicContact CZ-CB 3.94Å; F150-L179 HydrophobicContact CE2-CD2 3.75Å; F150-L179 HydrophobicContact CE2-CG 4.44Å; F150-L179 HydrophobicContact CZ-CD2 4.28Å |
| 151 | A | 94.1 | Very high | 91.4 | Very high | 49 Ų | 49 | 38.3 Ų | 38.3 | 41% | 0.405 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -58.7 | -41.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A147 A148 F154 A155 L239 | A147-A151 VanDerWaalsContact O-CB 3.25Å; A147-A151 WeakPolarHBondContact O-CB 3.43Å; A147-A151 PolarHBondContact O-N 2.96Å; A148-A151 PolarHBondContact O-N 3.22Å; A151-F154 PolarHBondContact O-N 3.28Å; A151-A155 VanDerWaalsContact O-CB 3.27Å; A151-A155 WeakPolarHBondContact O-CB 3.42Å; A151-A155 PolarHBondContact O-N 3.5Å; A151-L239 HydrophobicContact CB-CD2 3.95Å |
| 152 | G | 94.8 | Very high | 90.5 | Very high | 6 Ų | 6 | 42.1 Ų | 42.1 | 6% | 0.062 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62 | -45.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A148 F150 F154 A155 F156 S235 | A148-G152 PolarHBondContact O-N 3.21Å; F150-G152 VanDerWaalsContact C-N 3.29Å; F150-G152 PolarHBondContact O-N 2.95Å; G152-F154 PolarHBondContact O-N 2.93Å; G152-A155 PolarHBondContact O-N 3.48Å; G152-F156 WeakPolarHBondContact O-CB 3.47Å; G152-F156 PolarHBondContact O-N 3.47Å; G152-S235 PolarHBondContact O-OG 2.95Å |
| 153 | I | 93.5 | Very high | 89.3 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 174.5 | -69.7 | 162.1 | 0 | 0 | 0 | 111.1 | F149 F150 L157 L178 I218 A232 | F149-I153 HydrophobicContact CD1-CD1 3.91Å; F149-I153 HydrophobicContact CE1-CD1 3.39Å; F149-I153 HydrophobicContact CE2-CD1 4.14Å; F149-I153 HydrophobicContact CG-CD1 4.48Å; F149-I153 HydrophobicContact CZ-CD1 3.52Å; F149-I153 WeakPolarHBondContact O-CG1 3.44Å; F149-I153 PolarHBondContact O-N 3.13Å; F150-I153 PolarHBondContact O-N 2.75Å; I153-L157 HydrophobicContact CG2-CD1 3.67Å; I153-L157 HydrophobicContact CG2-CG 4.38Å; I153-L157 WeakPolarHBondContact O-CB 3Å; I153-L157 VanDerWaalsContact O-CG 3.22Å; I153-L157 WeakPolarHBondContact O-CG 3.14Å; I153-L157 PolarHBondContact O-N 3.27Å; I153-L178 HydrophobicContact CD1-CD1 4.48Å; I153-L178 HydrophobicContact CD1-CD2 4.04Å; I153-L178 HydrophobicContact CG2-CD1 4.16Å; I153-I218 HydrophobicContact CD1-CD1 4.11Å; I153-I218 HydrophobicContact CG1-CD1 4.32Å; I153-I218 HydrophobicContact CG2-CD1 3.8Å; I153-I218 HydrophobicContact CG2-CG1 4.43Å; I153-A232 WeakPolarHBondContact CG1-O 3.25Å |
| 154 | F | 92.8 | Very high | 87.9 | Confident | 45 Ų | 45 | 50.9 Ų | 50.9 | 20% | 0.197 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | -179.8 | -79.1 | -66.9 | 0 | 0 | 0 | 112 | F150 A151 G152 L157 W158 F171 L174 L175 L178 | F150-F154 HydrophobicContact CB-CD2 4.34Å; F150-F154 HydrophobicContact CB-CE2 4.29Å; F150-F154 WeakPolarHBondContact O-CD2 3.46Å; F150-F154 PolarHBondContact O-N 3.2Å; A151-F154 PolarHBondContact O-N 3.28Å; G152-F154 PolarHBondContact O-N 2.93Å; F154-L157 PolarHBondContact O-N 3.27Å; F154-W158 WeakPolarHBondContact O-CB 3.27Å; F154-W158 PolarHBondContact O-N 3.39Å; F154-F171 AromaticContact CD1-CD1 3.71Å; F154-F171 HydrophobicContact CD1-CD1 3.71Å; F154-F171 HydrophobicContact CD1-CE1 4.24Å; F154-F171 HydrophobicContact CE1-CB 4.44Å; F154-F171 AromaticContact CE1-CD1 3.83Å; F154-F171 HydrophobicContact CE1-CD1 3.83Å; F154-L174 HydrophobicContact CD1-CD2 4.03Å; F154-L174 HydrophobicContact CE1-CB 4.19Å; F154-L174 HydrophobicContact CE1-CD2 3.6Å; F154-L174 HydrophobicContact CE1-CG 3.95Å; F154-L174 HydrophobicContact CZ-CD2 4.34Å; F154-L174 HydrophobicContact CZ-CG 4.26Å; F154-L175 HydrophobicContact CE2-CD1 4.04Å; F154-L175 HydrophobicContact CZ-CB 3.94Å; F154-L175 HydrophobicContact CZ-CD1 4.21Å; F154-L178 HydrophobicContact CE2-CD1 3.94Å; F154-L178 HydrophobicContact CZ-CD1 4.04Å |
| 155 | A | 91.8 | Very high | 86.4 | Confident | 59 Ų | 59 | 49 Ų | 49 | 49% | 0.488 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A151 G152 L157 W158 V159 | A151-A155 VanDerWaalsContact O-CB 3.27Å; A151-A155 WeakPolarHBondContact O-CB 3.42Å; A151-A155 PolarHBondContact O-N 3.5Å; G152-A155 PolarHBondContact O-N 3.48Å; A155-L157 PolarHBondContact O-N 3Å; A155-W158 WeakPolarHBondContact O-CB 3.49Å; A155-W158 PolarHBondContact O-N 3.39Å; A155-V159 WeakPolarHBondContact O-CG2 3.04Å; A155-V159 PolarHBondContact O-N 3.15Å; A155-V159 VanDerWaalsContact O-N 3.14Å |
| 156 | F | 91.6 | Very high | 84.8 | Confident | 41 Ų | 41 | 59 Ų | 59 | 18% | 0.18 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.5 | -46.5 | 177.4 | 177.9 | -94 | 0 | 0 | 0 | 112.1 | G152 W158 V159 E160 L228 L231 A232 S235 | G152-F156 WeakPolarHBondContact O-CB 3.47Å; G152-F156 PolarHBondContact O-N 3.47Å; F156-W158 VanDerWaalsContact C-N 3.31Å; F156-W158 PolarHBondContact O-N 2.95Å; F156-V159 PolarHBondContact O-N 3.1Å; F156-E160 HydrophobicContact CD1-CG 4.37Å; F156-E160 HydrophobicContact CD2-CG 4.28Å; F156-E160 HydrophobicContact CE1-CB 4.44Å; F156-E160 HydrophobicContact CE1-CG 3.96Å; F156-E160 HydrophobicContact CE2-CG 3.83Å; F156-E160 HydrophobicContact CZ-CG 3.65Å; F156-E160 WeakPolarHBondContact O-CB 3.34Å; F156-E160 WeakPolarHBondContact O-CG 3.26Å; F156-E160 PolarHBondContact O-N 3.17Å; F156-L228 HydrophobicContact CE1-CD1 3.75Å; F156-L228 HydrophobicContact CE1-CG 4.43Å; F156-L228 HydrophobicContact CZ-CD1 4.12Å; F156-L231 HydrophobicContact CE1-CB 3.85Å; F156-L231 HydrophobicContact CE2-CB 4.04Å; F156-L231 HydrophobicContact CZ-CB 3.36Å; F156-L231 HydrophobicContact CZ-CD1 4.19Å; F156-L231 HydrophobicContact CZ-CG 4.4Å; F156-A232 HydrophobicContact CD1-CB 3.59Å; F156-A232 HydrophobicContact CE1-CB 3.95Å; F156-S235 WeakPolarHBondContact CB-OG 3.49Å |
| 157 | L | 89.2 | Confident | 83.3 | Confident | 3 Ų | 3 | 66.4 Ų | 66.4 | 2% | 0.016 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -66.7 | -34.2 | 178.7 | -68.7 | 173.3 | 0 | 0 | 0 | 112.2 | I153 F154 A155 V159 L161 L174 L222 A232 | I153-L157 HydrophobicContact CG2-CD1 3.67Å; I153-L157 HydrophobicContact CG2-CG 4.38Å; I153-L157 WeakPolarHBondContact O-CB 3Å; I153-L157 VanDerWaalsContact O-CG 3.22Å; I153-L157 WeakPolarHBondContact O-CG 3.14Å; I153-L157 PolarHBondContact O-N 3.27Å; F154-L157 PolarHBondContact O-N 3.27Å; A155-L157 PolarHBondContact O-N 3Å; L157-V159 VanDerWaalsContact C-N 3.28Å; L157-V159 PolarHBondContact O-N 3.16Å; L157-L161 HydrophobicContact CB-CD1 4.18Å; L157-L161 HydrophobicContact CD2-CD1 3.69Å; L157-L161 VanDerWaalsContact O-CB 3.26Å; L157-L161 WeakPolarHBondContact O-CB 3.42Å; L157-L161 PolarHBondContact O-N 3.24Å; L157-L174 HydrophobicContact CD1-CD2 3.49Å; L157-L174 VanDerWaalsContact CD1-CD2 3.49Å; L157-L222 HydrophobicContact CD1-CD1 3.81Å; L157-L222 HydrophobicContact CD2-CD1 3.67Å; L157-L222 HydrophobicContact CG-CD1 4.37Å; L157-A232 HydrophobicContact CD2-CB 4.02Å; L157-A232 HydrophobicContact CG-CB 4.2Å |
| 158 | W | 86.7 | Confident | 81.7 | Confident | 171 Ų | 171 | 73.1 Ų | 73.1 | 65% | 0.648 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.4 | -37.1 | 175.3 | -176.2 | -85.5 | 0 | 0 | 0 | 112 | F154 A155 F156 P162 F171 | F154-W158 WeakPolarHBondContact O-CB 3.27Å; F154-W158 PolarHBondContact O-N 3.39Å; A155-W158 WeakPolarHBondContact O-CB 3.49Å; A155-W158 PolarHBondContact O-N 3.39Å; F156-W158 VanDerWaalsContact C-N 3.31Å; F156-W158 PolarHBondContact O-N 2.95Å; W158-P162 WeakPolarHBondContact O-CD 3.5Å; W158-P162 WeakPolarHBondContact O-CG 3.21Å; W158-F171 AromaticContact CE3-CE1 3.96Å; W158-F171 HydrophobicContact CE3-CE1 3.96Å; W158-F171 HydrophobicContact CE3-CE2 4.03Å; W158-F171 AromaticContact CE3-CZ 3.35Å; W158-F171 HydrophobicContact CE3-CZ 3.35Å; W158-F171 HydrophobicContact CZ3-CE1 4.41Å; W158-F171 AromaticContact CZ3-CE2 3.7Å; W158-F171 HydrophobicContact CZ3-CE2 3.7Å; W158-F171 AromaticContact CZ3-CZ 3.54Å; W158-F171 HydrophobicContact CZ3-CZ 3.54Å |
| 159 | V | 86.6 | Confident | 80.4 | Confident | 87 Ų | 87 | 74.3 Ų | 74.3 | 53% | 0.527 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -75.2 | -47.1 | 177.7 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | A155 F156 L157 M163 | A155-V159 WeakPolarHBondContact O-CG2 3.04Å; A155-V159 PolarHBondContact O-N 3.15Å; A155-V159 VanDerWaalsContact O-N 3.14Å; F156-V159 PolarHBondContact O-N 3.1Å; L157-V159 VanDerWaalsContact C-N 3.28Å; L157-V159 PolarHBondContact O-N 3.16Å; V159-M163 HydrophobicContact CG1-CE 3.83Å; V159-M163 WeakPolarHBondContact O-CE 3.49Å |
| 160 | E | 82.8 | Confident | 79.9 | Confident | 61 Ų | 61 | 79.4 Ų | 79.4 | 29% | 0.285 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -83.8 | -31.6 | -169.9 | -69 | -67.3 | 163.8 | 0 | 0 | 115 | F156 M163 T164 L228 | F156-E160 HydrophobicContact CD1-CG 4.37Å; F156-E160 HydrophobicContact CD2-CG 4.28Å; F156-E160 HydrophobicContact CE1-CB 4.44Å; F156-E160 HydrophobicContact CE1-CG 3.96Å; F156-E160 HydrophobicContact CE2-CG 3.83Å; F156-E160 HydrophobicContact CZ-CG 3.65Å; F156-E160 WeakPolarHBondContact O-CB 3.34Å; F156-E160 WeakPolarHBondContact O-CG 3.26Å; F156-E160 PolarHBondContact O-N 3.17Å; E160-M163 PolarHBondContact O-N 3.45Å; E160-T164 PolarHBondContact O-N 3.49Å; E160-T164 PolarHBondContact O-OG1 3.13Å; E160-L228 HydrophobicContact CB-CD1 3.93Å; E160-L228 HydrophobicContact CG-CD1 4.32Å |
| 161 | L | 79.1 | Confident | 79.3 | Confident | 11 Ų | 11 | 81.9 Ų | 81.9 | 6% | 0.058 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -66.2 | -43.4 | -178.2 | -100.9 | 68.5 | 0 | 0 | 0 | 114.2 | L157 M163 T164 T165 P169 L222 L228 | L157-L161 HydrophobicContact CB-CD1 4.18Å; L157-L161 HydrophobicContact CD2-CD1 3.69Å; L157-L161 VanDerWaalsContact O-CB 3.26Å; L157-L161 WeakPolarHBondContact O-CB 3.42Å; L157-L161 PolarHBondContact O-N 3.24Å; L161-M163 PolarHBondContact O-N 3.32Å; L161-T164 PolarHBondContact O-N 2.93Å; L161-T164 VanDerWaalsContact O-N 3.13Å; L161-T164 PolarHBondContact O-OG1 2.86Å; L161-T165 PolarHBondContact O-N 3.5Å; L161-T165 PolarHBondContact O-OG1 2.6Å; L161-P169 HydrophobicContact CD2-CB 3.57Å; L161-P169 HydrophobicContact CD2-CG 3.52Å; L161-L222 HydrophobicContact CD1-CD1 4.38Å; L161-L222 HydrophobicContact CD2-CD2 4.29Å; L161-L228 HydrophobicContact CD1-CD2 4.25Å |
| 162 | P | 72.5 | Confident | 79 | Confident | 97 Ų | 97 | 84.5 Ų | 84.5 | 63% | 0.63 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -58.7 | -33.1 | 176.9 | -24.9 | 34.3 | 0 | 0 | 0 | 112.7 | W158 | W158-P162 WeakPolarHBondContact O-CD 3.5Å; W158-P162 WeakPolarHBondContact O-CG 3.21Å |
| 163 | M | 66.9 | Low | 78.6 | Confident | 129 Ų | 129 | 85.9 Ų | 85.9 | 64% | 0.635 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -73.2 | -28.6 | 178.3 | -68.5 | -169.4 | -82.2 | 0 | 0 | 112.9 | V159 E160 L161 | V159-M163 HydrophobicContact CG1-CE 3.83Å; V159-M163 WeakPolarHBondContact O-CE 3.49Å; E160-M163 PolarHBondContact O-N 3.45Å; L161-M163 PolarHBondContact O-N 3.32Å |
| 164 | T | 64.6 | Low | 78.5 | Confident | 90 Ų | 90 | 86 Ų | 86 | 55% | 0.552 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -109.6 | -23.4 | -171.8 | 44.6 | 0 | 0 | 0 | 0 | 115.1 | E160 L161 | E160-T164 PolarHBondContact O-N 3.49Å; E160-T164 PolarHBondContact O-OG1 3.13Å; L161-T164 PolarHBondContact O-N 2.93Å; L161-T164 VanDerWaalsContact O-N 3.13Å; L161-T164 PolarHBondContact O-OG1 2.86Å |
| 165 | T | 63.5 | Low | 78.4 | Confident | 62 Ų | 62 | 87.2 Ų | 87.2 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | trans | -142.4 | 129 | -166.4 | -13.9 | 0 | 0 | 0 | 0 | 113.3 | L161 K167 | L161-T165 PolarHBondContact O-N 3.5Å; L161-T165 PolarHBondContact O-OG1 2.6Å; T165-K167 VanDerWaalsContact C-N 3.29Å; T165-K167 PolarHBondContact O-N 2.81Å | ||
| 166 | K | 57.5 | Low | 78.3 | Confident | 222 Ų | 222 | 88.6 Ų | 88.6 | 97% | 0.965 | 44% | 0.437 | S | S | * | . | S | Bend | trans | -77.3 | -3.9 | 177.8 | -64.1 | -168 | 178.5 | -174.6 | 0 | 115.1 | ||
| 167 | K | 61.7 | Low | 78.3 | Confident | 174 Ų | 174 | 86.7 Ų | 86.7 | 76% | 0.757 | 43% | 0.43 | S | S | * | . | S | Bend | trans | -98.5 | 126.9 | 179.4 | -73.7 | -170.5 | 177.5 | -173.5 | 0 | 110.2 | T165 | T165-K167 VanDerWaalsContact C-N 3.29Å; T165-K167 PolarHBondContact O-N 2.81Å |
| 168 | K | 61.7 | Low | 78.4 | Confident | 197 Ų | 197 | 86.6 Ų | 86.6 | 86% | 0.857 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 127.2 | 173.1 | -69.3 | -172.6 | 178.3 | -177.1 | 0 | 109.7 | ||
| 169 | P | 68.8 | Low | 78.6 | Confident | 31 Ų | 31 | 79.9 Ų | 79.9 | 20% | 0.201 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -71.4 | 141.6 | 175.7 | 30.5 | -35.8 | 0 | 0 | 0 | 110.6 | L161 F171 L222 | L161-P169 HydrophobicContact CD2-CB 3.57Å; L161-P169 HydrophobicContact CD2-CG 3.52Å; P169-F171 HydrophobicContact CG-CD2 4.47Å; P169-F171 HydrophobicContact CG-CE1 4.1Å; P169-F171 HydrophobicContact CG-CE2 3.84Å; P169-F171 HydrophobicContact CG-CZ 3.62Å; P169-F171 WeakPolarHBondContact O-CD2 3.2Å; P169-F171 PolarHBondContact O-N 3.34Å; P169-F171 VanDerWaalsContact O-N 3.09Å; P169-L222 HydrophobicContact CB-CD2 4.17Å |
| 170 | N | 82.7 | Confident | 78.8 | Confident | 114 Ų | 114 | 76.5 Ų | 76.5 | 61% | 0.61 | 38% | 0.384 | S | S | * | . | trans | -78.7 | 90.8 | 171.5 | -71.6 | -34.7 | 0 | 0 | 0 | 109.3 | V172 L173 L174 | N170-V172 VanDerWaalsContact C-N 3.26Å; N170-V172 PolarHBondContact O-N 2.95Å; N170-L173 HydrophobicContact CB-CB 3.85Å; N170-L173 WeakPolarHBondContact O-CB 3.3Å; N170-L173 PolarHBondContact O-N 2.97Å; N170-L174 PolarHBondContact O-N 2.95Å | ||
| 171 | F | 83.6 | Confident | 79.2 | Confident | 71 Ų | 71 | 73.6 Ų | 73.6 | 31% | 0.311 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -56 | -36.7 | -178.2 | -69.3 | -77 | 0 | 0 | 0 | 113.6 | F154 W158 P169 L173 L174 L175 | F154-F171 AromaticContact CD1-CD1 3.71Å; F154-F171 HydrophobicContact CD1-CD1 3.71Å; F154-F171 HydrophobicContact CD1-CE1 4.24Å; F154-F171 HydrophobicContact CE1-CB 4.44Å; F154-F171 AromaticContact CE1-CD1 3.83Å; F154-F171 HydrophobicContact CE1-CD1 3.83Å; W158-F171 AromaticContact CE3-CE1 3.96Å; W158-F171 HydrophobicContact CE3-CE1 3.96Å; W158-F171 HydrophobicContact CE3-CE2 4.03Å; W158-F171 AromaticContact CE3-CZ 3.35Å; W158-F171 HydrophobicContact CE3-CZ 3.35Å; W158-F171 HydrophobicContact CZ3-CE1 4.41Å; W158-F171 AromaticContact CZ3-CE2 3.7Å; W158-F171 HydrophobicContact CZ3-CE2 3.7Å; W158-F171 AromaticContact CZ3-CZ 3.54Å; W158-F171 HydrophobicContact CZ3-CZ 3.54Å; P169-F171 HydrophobicContact CG-CD2 4.47Å; P169-F171 HydrophobicContact CG-CE1 4.1Å; P169-F171 HydrophobicContact CG-CE2 3.84Å; P169-F171 HydrophobicContact CG-CZ 3.62Å; P169-F171 WeakPolarHBondContact O-CD2 3.2Å; P169-F171 PolarHBondContact O-N 3.34Å; P169-F171 VanDerWaalsContact O-N 3.09Å; F171-L173 VanDerWaalsContact C-N 3.33Å; F171-L173 PolarHBondContact O-N 3.4Å; F171-L174 PolarHBondContact O-N 3.41Å; F171-L175 WeakPolarHBondContact O-CB 3.38Å; F171-L175 PolarHBondContact O-N 2.86Å |
| 172 | V | 86.1 | Confident | 79.7 | Confident | 103 Ų | 103 | 73.1 Ų | 73.1 | 62% | 0.624 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63 | -39.8 | 176.3 | 177.9 | 0 | 0 | 0 | 0 | 111.7 | N170 L175 K176 | N170-V172 VanDerWaalsContact C-N 3.26Å; N170-V172 PolarHBondContact O-N 2.95Å; V172-L175 PolarHBondContact O-N 3.01Å; V172-K176 WeakPolarHBondContact O-CG 3.38Å; V172-K176 PolarHBondContact O-N 3.5Å |
| 173 | L | 88 | Confident | 80.5 | Confident | 36 Ų | 36 | 69.4 Ų | 69.4 | 19% | 0.188 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -68 | -41.8 | 177.2 | -175.5 | 76.2 | 0 | 0 | 0 | 110.8 | L87 F88 N170 F171 K176 A177 T221 | L87-L173 HydrophobicContact CD1-CD1 3.67Å; L87-L173 HydrophobicContact CD1-CG 4.12Å; L87-L173 HydrophobicContact CD2-CD1 4.36Å; L87-L173 HydrophobicContact CD2-CD2 4.5Å; L87-L173 HydrophobicContact CD2-CG 4.21Å; L87-L173 HydrophobicContact CG-CD1 3.75Å; L87-L173 HydrophobicContact CG-CG 4.14Å; F88-L173 HydrophobicContact CD1-CD2 4.17Å; F88-L173 HydrophobicContact CE1-CD1 4.41Å; F88-L173 HydrophobicContact CE1-CD2 3.3Å; F88-L173 HydrophobicContact CE1-CG 4.39Å; F88-L173 HydrophobicContact CZ-CD2 3.78Å; N170-L173 HydrophobicContact CB-CB 3.85Å; N170-L173 WeakPolarHBondContact O-CB 3.3Å; N170-L173 PolarHBondContact O-N 2.97Å; F171-L173 VanDerWaalsContact C-N 3.33Å; F171-L173 PolarHBondContact O-N 3.4Å; L173-K176 PolarHBondContact O-N 3.13Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 2.89Å; L173-T221 HydrophobicContact CD2-CG2 3.88Å; L173-T221 HydrophobicContact CG-CG2 4.14Å |
| 174 | L | 90.4 | Very high | 81.5 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.8 | -178.1 | 62.3 | 0 | 0 | 0 | 111.3 | F154 L157 N170 F171 K176 A177 L178 I218 T221 | F154-L174 HydrophobicContact CD1-CD2 4.03Å; F154-L174 HydrophobicContact CE1-CB 4.19Å; F154-L174 HydrophobicContact CE1-CD2 3.6Å; F154-L174 HydrophobicContact CE1-CG 3.95Å; F154-L174 HydrophobicContact CZ-CD2 4.34Å; F154-L174 HydrophobicContact CZ-CG 4.26Å; L157-L174 HydrophobicContact CD1-CD2 3.49Å; L157-L174 VanDerWaalsContact CD1-CD2 3.49Å; N170-L174 PolarHBondContact O-N 2.95Å; F171-L174 PolarHBondContact O-N 3.41Å; L174-K176 PolarHBondContact O-N 3.33Å; L174-A177 WeakPolarHBondContact O-CB 3.42Å; L174-A177 PolarHBondContact O-N 3.34Å; L174-A177 VanDerWaalsContact O-N 3.16Å; L174-L178 HydrophobicContact CD1-CG 4.41Å; L174-L178 HydrophobicContact CG-CD1 4.22Å; L174-L178 WeakPolarHBondContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.22Å; L174-L178 PolarHBondContact O-N 3.5Å; L174-I218 HydrophobicContact CD1-CG1 4.32Å; L174-T221 HydrophobicContact CB-CG2 4.37Å; L174-T221 HydrophobicContact CD1-CG2 4.22Å |
| 175 | L | 90.8 | Very high | 82.7 | Confident | 71 Ų | 71 | 60 Ų | 60 | 37% | 0.372 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.5 | -46.8 | 174.6 | -177.4 | 62.4 | 0 | 0 | 0 | 111.1 | F150 F154 F171 V172 A177 L178 L179 | F150-L175 HydrophobicContact CD2-CD1 4.47Å; F154-L175 HydrophobicContact CE2-CD1 4.04Å; F154-L175 HydrophobicContact CZ-CB 3.94Å; F154-L175 HydrophobicContact CZ-CD1 4.21Å; F171-L175 WeakPolarHBondContact O-CB 3.38Å; F171-L175 PolarHBondContact O-N 2.86Å; V172-L175 PolarHBondContact O-N 3.01Å; L175-A177 VanDerWaalsContact C-N 3.28Å; L175-A177 PolarHBondContact O-N 3.32Å; L175-L178 PolarHBondContact O-N 3.49Å; L175-L179 HydrophobicContact CD1-CD1 4.38Å; L175-L179 HydrophobicContact CD1-CG 4.3Å; L175-L179 HydrophobicContact CG-CD1 4.02Å; L175-L179 HydrophobicContact CG-CG 4.38Å; L175-L179 WeakPolarHBondContact O-CB 3.46Å; L175-L179 VanDerWaalsContact O-CG 3.24Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.46Å |
| 176 | K | 89.9 | Confident | 84 | Confident | 87 Ų | 87 | 59.8 Ų | 59.8 | 38% | 0.378 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.4 | -40.4 | 174.8 | -74.3 | -179.7 | 179.6 | -171.1 | 0 | 112.3 | L87 V172 L173 L174 L180 | L87-K176 HydrophobicContact CD1-CB 4.35Å; V172-K176 WeakPolarHBondContact O-CG 3.38Å; V172-K176 PolarHBondContact O-N 3.5Å; L173-K176 PolarHBondContact O-N 3.13Å; L174-K176 PolarHBondContact O-N 3.33Å; K176-L180 VanDerWaalsContact O-CB 3.26Å; K176-L180 WeakPolarHBondContact O-CB 3.01Å; K176-L180 PolarHBondContact O-N 3.28Å |
| 177 | A | 91.5 | Very high | 85.5 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 2% | 0.017 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.1 | -42.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L87 L173 L174 L175 L180 S181 A217 T221 | L87-A177 HydrophobicContact CD1-CB 3.87Å; L87-A177 HydrophobicContact CD2-CB 3.77Å; L87-A177 HydrophobicContact CG-CB 4.48Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 2.89Å; L174-A177 WeakPolarHBondContact O-CB 3.42Å; L174-A177 PolarHBondContact O-N 3.34Å; L174-A177 VanDerWaalsContact O-N 3.16Å; L175-A177 VanDerWaalsContact C-N 3.28Å; L175-A177 PolarHBondContact O-N 3.32Å; A177-L180 WeakPolarHBondContact O-CB 3.39Å; A177-L180 PolarHBondContact O-N 3.39Å; A177-S181 PolarHBondContact O-N 2.84Å; A177-S181 PolarHBondContact O-OG 3.48Å; A177-A217 HydrophobicContact CB-CB 4.31Å; A177-T221 WeakPolarHBondContact CB-OG1 3.36Å |
| 178 | L | 92.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.6 | -41.4 | 178.4 | -71.9 | 176.7 | 0 | 0 | 0 | 112.8 | F150 I153 F154 L174 L175 L180 S181 S182 I218 | F150-L178 HydrophobicContact CD1-CB 3.98Å; F150-L178 HydrophobicContact CD1-CD1 4Å; F150-L178 HydrophobicContact CD1-CG 4.42Å; F150-L178 HydrophobicContact CE1-CB 3.56Å; F150-L178 HydrophobicContact CE1-CD1 4.42Å; F150-L178 HydrophobicContact CE1-CD2 4.5Å; F150-L178 HydrophobicContact CE1-CG 4.37Å; F150-L178 HydrophobicContact CZ-CB 3.94Å; I153-L178 HydrophobicContact CD1-CD1 4.48Å; I153-L178 HydrophobicContact CD1-CD2 4.04Å; I153-L178 HydrophobicContact CG2-CD1 4.16Å; F154-L178 HydrophobicContact CE2-CD1 3.94Å; F154-L178 HydrophobicContact CZ-CD1 4.04Å; L174-L178 HydrophobicContact CD1-CG 4.41Å; L174-L178 HydrophobicContact CG-CD1 4.22Å; L174-L178 WeakPolarHBondContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CG 3.22Å; L174-L178 PolarHBondContact O-N 3.5Å; L175-L178 PolarHBondContact O-N 3.49Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 2.99Å; L178-S181 VanDerWaalsContact CA-OG 3.28Å; L178-S181 WeakPolarHBondContact CA-OG 3.35Å; L178-S181 PolarHBondContact O-N 3.19Å; L178-S181 PolarHBondContact O-OG 2.93Å; L178-S182 PolarHBondContact O-N 3.41Å; L178-S182 PolarHBondContact O-OG 2.97Å; L178-I218 HydrophobicContact CD2-CD1 4.18Å; L178-I218 HydrophobicContact CD2-CG1 3.92Å |
| 179 | L | 90.8 | Very high | 87.9 | Confident | 30 Ų | 30 | 39.2 Ų | 39.2 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.6 | -40.8 | 172.6 | -68.2 | 170.6 | 0 | 0 | 0 | 110.8 | H95 C99 F150 L175 S182 | H95-L179 HydrophobicContact CB-CB 4.45Å; H95-L179 HydrophobicContact CB-CD1 4.49Å; C99-L179 HydrophobicContact CB-CD2 3.73Å; C99-L179 WeakPolarHBondContact SG-CD2 3.33Å; F150-L179 HydrophobicContact CE2-CD2 3.75Å; F150-L179 HydrophobicContact CE2-CG 4.44Å; F150-L179 HydrophobicContact CZ-CD2 4.28Å; L175-L179 HydrophobicContact CD1-CD1 4.38Å; L175-L179 HydrophobicContact CD1-CG 4.3Å; L175-L179 HydrophobicContact CG-CD1 4.02Å; L175-L179 HydrophobicContact CG-CG 4.38Å; L175-L179 WeakPolarHBondContact O-CB 3.46Å; L175-L179 VanDerWaalsContact O-CG 3.24Å; L175-L179 WeakPolarHBondContact O-CG 3.48Å; L175-L179 PolarHBondContact O-N 3.46Å; L179-S182 PolarHBondContact O-N 3.4Å |
| 180 | L | 89.9 | Confident | 88.9 | Confident | 16 Ų | 16 | 41.1 Ų | 41.1 | 8% | 0.084 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.5 | -52.5 | 175.1 | -178.1 | 71 | 0 | 0 | 0 | 110.6 | I86 L98 K176 A177 L178 S182 Y183 | I86-L180 HydrophobicContact CB-CD2 4.08Å; I86-L180 HydrophobicContact CG2-CD1 4.11Å; I86-L180 HydrophobicContact CG2-CD2 3.36Å; I86-L180 HydrophobicContact CG2-CG 4.38Å; L98-L180 HydrophobicContact CD2-CD1 4.06Å; K176-L180 VanDerWaalsContact O-CB 3.26Å; K176-L180 WeakPolarHBondContact O-CB 3.01Å; K176-L180 PolarHBondContact O-N 3.28Å; A177-L180 WeakPolarHBondContact O-CB 3.39Å; A177-L180 PolarHBondContact O-N 3.39Å; L178-L180 VanDerWaalsContact C-N 3.3Å; L178-L180 PolarHBondContact O-N 2.99Å; L180-S182 PolarHBondContact O-N 3.31Å; L180-Y183 HydrophobicContact CG-CD1 4.46Å; L180-Y183 WeakPolarHBondContact O-CB 3.35Å; L180-Y183 WeakPolarHBondContact O-CD1 3.43Å; L180-Y183 PolarHBondContact O-N 2.81Å |
| 181 | S | 90.8 | Very high | 89 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.3 | -13.4 | -178.7 | 42.8 | 0 | 0 | 0 | 0 | 114.8 | A177 L178 Y183 S213 N214 | A177-S181 PolarHBondContact O-N 2.84Å; A177-S181 PolarHBondContact O-OG 3.48Å; L178-S181 VanDerWaalsContact CA-OG 3.28Å; L178-S181 WeakPolarHBondContact CA-OG 3.35Å; L178-S181 PolarHBondContact O-N 3.19Å; L178-S181 PolarHBondContact O-OG 2.93Å; S181-Y183 PolarHBondContact O-N 3.44Å; S181-S213 VanDerWaalsContact CA-OG 3.31Å; S181-S213 WeakPolarHBondContact CA-OG 3.37Å; S181-S213 WeakPolarHBondContact CB-OG 3.47Å; S181-S213 PolarHBondContact O-OG 2.94Å; S181-N214 PolarHBondContact OG-OD1 3.23Å |
| 182 | S | 89.4 | Confident | 89 | Confident | 2 Ų | 2 | 33.9 Ų | 33.9 | 1% | 0.014 | 18% | 0.183 | C | C | . | . | G | 310 helix | trans | -75.1 | -5.7 | 172.1 | -57 | 0 | 0 | 0 | 0 | 113.6 | C102 L178 L179 L180 G184 K185 | C102-S182 PolarHBondContact SG-O 3.1Å; L178-S182 PolarHBondContact O-N 3.41Å; L178-S182 PolarHBondContact O-OG 2.97Å; L179-S182 PolarHBondContact O-N 3.4Å; L180-S182 PolarHBondContact O-N 3.31Å; S182-G184 PolarHBondContact O-N 3.04Å; S182-K185 WeakPolarHBondContact O-CB 3.4Å; S182-K185 WeakPolarHBondContact O-CG 3.41Å; S182-K185 PolarHBondContact O-N 3.34Å |
| 183 | Y | 89.8 | Confident | 89 | Confident | 19 Ų | 19 | 35.2 Ų | 35.2 | 8% | 0.075 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -54.2 | -25.5 | 178.8 | 70.3 | -109.8 | 0 | 0 | 0 | 113.7 | A75 I76 Y83 L180 S181 K185 L186 F209 | A75-Y183 PolarHBondContact O-OH 3.47Å; I76-Y183 HydrophobicContact CG1-CE2 4.03Å; Y83-Y183 WeakPolarHBondContact OH-CE1 3.27Å; Y83-Y183 PolarHBondContact OH-OH 3.26Å; L180-Y183 HydrophobicContact CG-CD1 4.46Å; L180-Y183 WeakPolarHBondContact O-CB 3.35Å; L180-Y183 WeakPolarHBondContact O-CD1 3.43Å; L180-Y183 PolarHBondContact O-N 2.81Å; S181-Y183 PolarHBondContact O-N 3.44Å; Y183-K185 PolarHBondContact O-N 3.22Å; Y183-K185 VanDerWaalsContact O-N 3.11Å; Y183-L186 WeakPolarHBondContact O-CB 3.32Å; Y183-L186 WeakPolarHBondContact O-CG 3.19Å; Y183-L186 PolarHBondContact O-N 2.82Å; Y183-F209 AromaticContact CE2-CE1 3.92Å; Y183-F209 HydrophobicContact CE2-CE1 3.92Å; Y183-F209 AromaticContact CE2-CZ 3.84Å; Y183-F209 HydrophobicContact CE2-CZ 3.84Å |
| 184 | G | 87.1 | Confident | 88.7 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -59.2 | -22.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S182 L186 L187 | S182-G184 PolarHBondContact O-N 3.04Å; G184-L186 PolarHBondContact O-N 3.26Å; G184-L187 VanDerWaalsContact O-CB 3.25Å; G184-L187 WeakPolarHBondContact O-CB 3.46Å; G184-L187 WeakPolarHBondContact O-CG 3.34Å; G184-L187 PolarHBondContact O-N 3.43Å |
| 185 | K | 89.9 | Confident | 87.7 | Confident | 20 Ų | 20 | 48.3 Ų | 48.3 | 9% | 0.087 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -65.2 | -20.6 | 173.7 | -61.8 | -171.6 | -175.7 | -171.3 | 0 | 113.2 | C102 E106 S182 Y183 L187 L188 V210 | C102-K185 HydrophobicContact CB-CB 3.95Å; C102-K185 HydrophobicContact CB-CD 4.16Å; E106-K185 WeakPolarHBondContact OE2-CE 3.44Å; E106-K185 IonicContact OE2-NZ 3.41Å; E106-K185 PolarHBondContact OE2-NZ 2.99Å; S182-K185 WeakPolarHBondContact O-CB 3.4Å; S182-K185 WeakPolarHBondContact O-CG 3.41Å; S182-K185 PolarHBondContact O-N 3.34Å; Y183-K185 PolarHBondContact O-N 3.22Å; Y183-K185 VanDerWaalsContact O-N 3.11Å; K185-L187 PolarHBondContact O-N 2.89Å; K185-L188 HydrophobicContact CB-CD1 4.36Å; K185-L188 WeakPolarHBondContact O-CB 3.48Å; K185-L188 WeakPolarHBondContact O-CD1 3.39Å; K185-L188 WeakPolarHBondContact O-CG 3.46Å; K185-L188 PolarHBondContact O-N 3.09Å; K185-L188 VanDerWaalsContact O-N 3.13Å; K185-V210 HydrophobicContact CG-CG2 4.08Å |
| 186 | L | 90.8 | Very high | 86.9 | Confident | 58 Ų | 58 | 50 Ų | 50 | 30% | 0.304 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -67.8 | -21.5 | 172.7 | -61.4 | -179.2 | 0 | 0 | 0 | 112.6 | L98 F101 Y183 G184 L188 I189 P190 | L98-L186 HydrophobicContact CD1-CD1 3.67Å; L98-L186 HydrophobicContact CD1-CG 4.45Å; F101-L186 HydrophobicContact CB-CD2 3.99Å; Y183-L186 WeakPolarHBondContact O-CB 3.32Å; Y183-L186 WeakPolarHBondContact O-CG 3.19Å; Y183-L186 PolarHBondContact O-N 2.82Å; G184-L186 PolarHBondContact O-N 3.26Å; L186-L188 PolarHBondContact O-N 2.84Å; L186-I189 PolarHBondContact O-N 3.11Å; L186-P190 WeakPolarHBondContact O-CD 3.36Å |
| 187 | L | 89.2 | Confident | 86 | Confident | 62 Ų | 62 | 53.3 Ų | 53.3 | 33% | 0.325 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -68 | -9.2 | 173.8 | -57.7 | 177.1 | 0 | 0 | 0 | 112.4 | G184 K185 I189 P190 A191 I206 F209 | G184-L187 VanDerWaalsContact O-CB 3.25Å; G184-L187 WeakPolarHBondContact O-CB 3.46Å; G184-L187 WeakPolarHBondContact O-CG 3.34Å; G184-L187 PolarHBondContact O-N 3.43Å; K185-L187 PolarHBondContact O-N 2.89Å; L187-I189 VanDerWaalsContact C-N 3.3Å; L187-P190 WeakPolarHBondContact O-CD 3.1Å; L187-P190 WeakPolarHBondContact O-CG 3.38Å; L187-A191 WeakPolarHBondContact O-CB 3.17Å; L187-A191 PolarHBondContact O-N 3.32Å; L187-I206 HydrophobicContact CB-CD1 4.15Å; L187-I206 HydrophobicContact CB-CG1 4.26Å; L187-I206 WeakPolarHBondContact O-CD1 3.48Å; L187-F209 HydrophobicContact CD1-CD1 3.93Å; L187-F209 HydrophobicContact CD1-CE1 3.82Å |
| 188 | L | 88.3 | Confident | 85.2 | Confident | 14 Ų | 14 | 61 Ų | 61 | 7% | 0.073 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -65.7 | -33.4 | 171.1 | -64.4 | 175.4 | 0 | 0 | 0 | 112.1 | C105 L109 K185 L186 A191 V192 L203 I206 | C105-L188 HydrophobicContact CB-CD1 4.46Å; L109-L188 HydrophobicContact CD2-CD1 4.12Å; L109-L188 HydrophobicContact CD2-CD2 3.86Å; K185-L188 HydrophobicContact CB-CD1 4.36Å; K185-L188 WeakPolarHBondContact O-CB 3.48Å; K185-L188 WeakPolarHBondContact O-CD1 3.39Å; K185-L188 WeakPolarHBondContact O-CG 3.46Å; K185-L188 PolarHBondContact O-N 3.09Å; K185-L188 VanDerWaalsContact O-N 3.13Å; L186-L188 PolarHBondContact O-N 2.84Å; L188-A191 PolarHBondContact O-N 2.65Å; L188-V192 WeakPolarHBondContact O-CG2 3.34Å; L188-V192 PolarHBondContact O-N 2.91Å; L188-L203 HydrophobicContact CD2-CD2 3.44Å; L188-L203 VanDerWaalsContact CD2-CD2 3.44Å; L188-I206 HydrophobicContact CD2-CB 4.35Å; L188-I206 HydrophobicContact CD2-CD1 3.85Å; L188-I206 HydrophobicContact CD2-CG2 3.89Å; L188-I206 HydrophobicContact CG-CG2 4.26Å |
| 189 | I | 87.3 | Confident | 84.6 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 44% | 0.436 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -58.4 | -57.8 | -178.7 | -60.8 | 170.9 | 0 | 0 | 0 | 111.1 | L186 L187 A191 V192 I193 | L186-I189 PolarHBondContact O-N 3.11Å; L187-I189 VanDerWaalsContact C-N 3.3Å; I189-A191 VanDerWaalsContact C-N 3.26Å; I189-A191 PolarHBondContact O-N 3.47Å; I189-V192 PolarHBondContact O-N 3.37Å; I189-I193 HydrophobicContact CG2-CD1 3.52Å; I189-I193 HydrophobicContact CG2-CG1 4.36Å; I189-I193 VanDerWaalsContact O-CG1 3.26Å; I189-I193 WeakPolarHBondContact O-CG1 3.46Å; I189-I193 PolarHBondContact O-N 2.97Å |
| 190 | P | 87.9 | Confident | 84.3 | Confident | 72 Ų | 72 | 64.5 Ų | 64.5 | 47% | 0.468 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -65.4 | -30 | 177.7 | 25.6 | -34.5 | 0 | 0 | 0 | 112.6 | L186 L187 V192 W194 | L186-P190 WeakPolarHBondContact O-CD 3.36Å; L187-P190 WeakPolarHBondContact O-CD 3.1Å; L187-P190 WeakPolarHBondContact O-CG 3.38Å; P190-V192 VanDerWaalsContact C-N 3.32Å; P190-V192 PolarHBondContact O-N 3.22Å; P190-W194 VanDerWaalsContact O-CB 3.29Å; P190-W194 WeakPolarHBondContact O-CB 3.42Å; P190-W194 PolarHBondContact O-N 3.41Å |
| 191 | A | 86.3 | Confident | 84.2 | Confident | 13 Ų | 13 | 68.2 Ų | 68.2 | 11% | 0.107 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.5 | -33.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113 | L187 L188 I189 I206 | L187-A191 WeakPolarHBondContact O-CB 3.17Å; L187-A191 PolarHBondContact O-N 3.32Å; L188-A191 PolarHBondContact O-N 2.65Å; I189-A191 VanDerWaalsContact C-N 3.26Å; I189-A191 PolarHBondContact O-N 3.47Å; A191-I206 HydrophobicContact CB-CD1 3.85Å |
| 192 | V | 83.4 | Confident | 84.1 | Confident | 19 Ų | 19 | 70.6 Ų | 70.6 | 12% | 0.115 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -83.9 | -39.4 | 176.7 | 176 | 0 | 0 | 0 | 0 | 111.7 | Y108 L109 W112 L188 I189 P190 W194 | Y108-V192 HydrophobicContact CE1-CG1 4.13Å; L109-V192 HydrophobicContact CD1-CG2 3.37Å; W112-V192 HydrophobicContact CD2-CG1 4.41Å; L188-V192 WeakPolarHBondContact O-CG2 3.34Å; L188-V192 PolarHBondContact O-N 2.91Å; I189-V192 PolarHBondContact O-N 3.37Å; P190-V192 VanDerWaalsContact C-N 3.32Å; P190-V192 PolarHBondContact O-N 3.22Å; V192-W194 VanDerWaalsContact C-N 3.3Å; V192-W194 PolarHBondContact O-N 3.24Å |
| 193 | I | 85.2 | Confident | 84 | Confident | 131 Ų | 131 | 71.2 Ų | 71.2 | 67% | 0.672 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -63.9 | -38.6 | 179 | -68.1 | 169.6 | 0 | 0 | 0 | 111.1 | I189 E195 | I189-I193 HydrophobicContact CG2-CD1 3.52Å; I189-I193 HydrophobicContact CG2-CG1 4.36Å; I189-I193 VanDerWaalsContact O-CG1 3.26Å; I189-I193 WeakPolarHBondContact O-CG1 3.46Å; I189-I193 PolarHBondContact O-N 2.97Å; I193-E195 VanDerWaalsContact C-N 3.26Å; I193-E195 PolarHBondContact O-N 3.35Å |
| 194 | W | 82.9 | Confident | 84 | Confident | 182 Ų | 182 | 78.5 Ų | 78.5 | 69% | 0.689 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.7 | 54 | -177.2 | -155.4 | -82.7 | 0 | 0 | 0 | 111.3 | P190 V192 H196 | P190-W194 VanDerWaalsContact O-CB 3.29Å; P190-W194 WeakPolarHBondContact O-CB 3.42Å; P190-W194 PolarHBondContact O-N 3.41Å; V192-W194 VanDerWaalsContact C-N 3.3Å; V192-W194 PolarHBondContact O-N 3.24Å; W194-H196 AromaticContact CD1-CD2 3.58Å; W194-H196 AromaticContact CD1-CE1 3.32Å; W194-H196 AromaticContact CD1-CG 3.84Å; W194-H196 AromaticContact CD1-ND1 3.66Å; W194-H196 AromaticContact CD1-NE2 3.26Å; W194-H196 VanDerWaalsContact CD1-NE2 3.26Å; W194-H196 AromaticContact NE1-CD2 3.69Å; W194-H196 AromaticContact NE1-CE1 3.09Å; W194-H196 PolarHBondContact NE1-CE1 2.98Å; W194-H196 AromaticContact NE1-ND1 3.91Å; W194-H196 AromaticContact NE1-NE2 2.89Å; W194-H196 PolarHBondContact NE1-NE2 2.93Å; W194-H196 PolarHBondContact O-N 2.93Å; W194-H196 VanDerWaalsContact O-N 3.07Å |
| 195 | E | 69.2 | Low | 84.2 | Confident | 132 Ų | 132 | 84.3 Ų | 84.3 | 62% | 0.617 | 42% | 0.415 | S | S | * | . | trans | -49 | 113 | -175.8 | -171.5 | 172.6 | -160.9 | 0 | 0 | 111.6 | I193 | I193-E195 VanDerWaalsContact C-N 3.26Å; I193-E195 PolarHBondContact O-N 3.35Å | ||
| 196 | H | 73.9 | Confident | 84.3 | Confident | 105 Ų | 105 | 84 Ų | 84 | 49% | 0.486 | 42% | 0.415 | S | S | . | . | trans | -137.6 | 158.4 | -178 | -83.8 | 9.8 | 0 | 0 | 0 | 110 | W194 Y198 T199 | W194-H196 AromaticContact CD1-CD2 3.58Å; W194-H196 AromaticContact CD1-CE1 3.32Å; W194-H196 AromaticContact CD1-CG 3.84Å; W194-H196 AromaticContact CD1-ND1 3.66Å; W194-H196 AromaticContact CD1-NE2 3.26Å; W194-H196 VanDerWaalsContact CD1-NE2 3.26Å; W194-H196 AromaticContact NE1-CD2 3.69Å; W194-H196 AromaticContact NE1-CE1 3.09Å; W194-H196 PolarHBondContact NE1-CE1 2.98Å; W194-H196 AromaticContact NE1-ND1 3.91Å; W194-H196 AromaticContact NE1-NE2 2.89Å; W194-H196 PolarHBondContact NE1-NE2 2.93Å; W194-H196 PolarHBondContact O-N 2.93Å; W194-H196 VanDerWaalsContact O-N 3.07Å; H196-Y198 PolarHBondContact O-N 2.87Å; H196-T199 PolarHBondContact N-OG1 2.92Å; H196-T199 WeakPolarHBondContact O-CB 3.36Å; H196-T199 PolarHBondContact O-N 2.96Å; H196-T199 PolarHBondContact O-OG1 3.27Å | ||
| 197 | D | 70.3 | Confident | 84.3 | Confident | 157 Ų | 157 | 88.2 Ų | 88.2 | 84% | 0.84 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | -22.7 | 175.9 | -61.5 | -34.6 | 0 | 0 | 0 | 113.4 | ||
| 198 | Y | 73.9 | Confident | 84.5 | Confident | 163 Ų | 163 | 89.2 Ų | 89.2 | 64% | 0.639 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | 8.2 | -179.7 | -53.6 | -67.6 | 0 | 0 | 0 | 115 | H196 P200 L201 C202 | H196-Y198 PolarHBondContact O-N 2.87Å; Y198-P200 VanDerWaalsContact C-CD 3.46Å; Y198-L201 HydrophobicContact CD1-CD1 4.1Å; Y198-L201 WeakPolarHBondContact O-CB 3.48Å; Y198-L201 PolarHBondContact O-N 3.48Å; Y198-L201 VanDerWaalsContact O-N 3.08Å; Y198-C202 PolarHBondContact O-N 3.06Å |
| 199 | T | 81.3 | Confident | 84.8 | Confident | 20 Ų | 20 | 90.3 Ų | 90.3 | 12% | 0.123 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -47 | -48.7 | 177.4 | -59.6 | 0 | 0 | 0 | 0 | 113.7 | H196 L201 C202 L203 | H196-T199 PolarHBondContact N-OG1 2.92Å; H196-T199 WeakPolarHBondContact O-CB 3.36Å; H196-T199 PolarHBondContact O-N 2.96Å; H196-T199 PolarHBondContact O-OG1 3.27Å; T199-L201 VanDerWaalsContact C-N 3.32Å; T199-L201 PolarHBondContact O-N 3.27Å; T199-C202 WeakPolarHBondContact O-CB 3.37Å; T199-C202 PolarHBondContact O-N 3.39Å; T199-L203 HydrophobicContact CG2-CD1 4.24Å; T199-L203 HydrophobicContact CG2-CG 4.41Å; T199-L203 WeakPolarHBondContact O-CG 3.24Å; T199-L203 PolarHBondContact O-N 3.48Å |
| 200 | P | 84.5 | Confident | 85.2 | Confident | 85 Ų | 85 | 87 Ų | 87 | 55% | 0.552 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.5 | -31.9 | -179.1 | 25.5 | -35.4 | 0 | 0 | 0 | 113.6 | Y198 R204 | Y198-P200 VanDerWaalsContact C-CD 3.46Å; P200-R204 PolarHBondContact O-N 2.85Å; P200-R204 VanDerWaalsContact O-N 3.17Å |
| 201 | L | 87.2 | Confident | 85.5 | Confident | 94 Ų | 94 | 86.2 Ų | 86.2 | 49% | 0.492 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -70 | -43.4 | 174.3 | -67.8 | 175.4 | 0 | 0 | 0 | 110.9 | Y198 T199 L203 R204 L205 | Y198-L201 HydrophobicContact CD1-CD1 4.1Å; Y198-L201 WeakPolarHBondContact O-CB 3.48Å; Y198-L201 PolarHBondContact O-N 3.48Å; Y198-L201 VanDerWaalsContact O-N 3.08Å; T199-L201 VanDerWaalsContact C-N 3.32Å; T199-L201 PolarHBondContact O-N 3.27Å; L201-L203 VanDerWaalsContact C-N 3.35Å; L201-L203 PolarHBondContact O-N 3.33Å; L201-R204 WeakPolarHBondContact O-CB 3.29Å; L201-R204 PolarHBondContact O-N 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.28Å; L201-L205 PolarHBondContact O-N 3.47Å |
| 202 | C | 87.5 | Confident | 85.8 | Confident | 49 Ų | 49 | 88.6 Ų | 88.6 | 33% | 0.331 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -58 | -46.8 | 176.4 | -170.6 | 0 | 0 | 0 | 0 | 111.4 | Y198 T199 R204 L205 I206 | Y198-C202 PolarHBondContact O-N 3.06Å; T199-C202 WeakPolarHBondContact O-CB 3.37Å; T199-C202 PolarHBondContact O-N 3.39Å; C202-R204 VanDerWaalsContact C-N 3.32Å; C202-R204 PolarHBondContact O-N 2.91Å; C202-L205 WeakPolarHBondContact O-CB 3.34Å; C202-L205 PolarHBondContact O-N 3.2Å; C202-L205 VanDerWaalsContact O-N 3.15Å; C202-I206 WeakPolarHBondContact O-CG1 3.5Å; C202-I206 PolarHBondContact O-N 3.41Å |
| 203 | L | 87.8 | Confident | 86.3 | Confident | 15 Ų | 15 | 87.7 Ų | 87.7 | 8% | 0.079 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -60.1 | -41.1 | 176.4 | -65.4 | 179.2 | 0 | 0 | 0 | 112.4 | L109 Q113 L188 T199 L201 I206 K207 | L109-L203 HydrophobicContact CD1-CD1 4.13Å; L109-L203 HydrophobicContact CD1-CD2 3.83Å; L109-L203 HydrophobicContact CD2-CD1 4.17Å; L109-L203 HydrophobicContact CD2-CD2 3.64Å; L109-L203 HydrophobicContact CD2-CG 4.49Å; L109-L203 HydrophobicContact CG-CD2 4.39Å; Q113-L203 VanDerWaalsContact NE2-CD1 3.29Å; L188-L203 HydrophobicContact CD2-CD2 3.44Å; L188-L203 VanDerWaalsContact CD2-CD2 3.44Å; T199-L203 HydrophobicContact CG2-CD1 4.24Å; T199-L203 HydrophobicContact CG2-CG 4.41Å; T199-L203 WeakPolarHBondContact O-CG 3.24Å; T199-L203 PolarHBondContact O-N 3.48Å; L201-L203 VanDerWaalsContact C-N 3.35Å; L201-L203 PolarHBondContact O-N 3.33Å; L203-I206 PolarHBondContact O-N 2.91Å; L203-K207 PolarHBondContact O-N 2.9Å |
| 204 | R | 89.8 | Confident | 86.8 | Confident | 172 Ų | 172 | 81.5 Ų | 81.5 | 65% | 0.649 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | 175.7 | -167.5 | -175.9 | -61.4 | -176.1 | 0.6 | 111.5 | P200 L201 C202 K207 V208 | P200-R204 PolarHBondContact O-N 2.85Å; P200-R204 VanDerWaalsContact O-N 3.17Å; L201-R204 WeakPolarHBondContact O-CB 3.29Å; L201-R204 PolarHBondContact O-N 3.29Å; C202-R204 VanDerWaalsContact C-N 3.32Å; C202-R204 PolarHBondContact O-N 2.91Å; R204-K207 PolarHBondContact O-N 3.46Å; R204-V208 WeakPolarHBondContact O-CG2 3.26Å; R204-V208 PolarHBondContact O-N 3.47Å |
| 205 | L | 91.9 | Very high | 87.3 | Confident | 122 Ų | 122 | 74.8 Ų | 74.8 | 64% | 0.639 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -64 | -40.4 | 176.6 | -70.2 | 174.7 | 0 | 0 | 0 | 111.8 | L201 C202 K207 V208 F209 | L201-L205 WeakPolarHBondContact O-CG 3.28Å; L201-L205 PolarHBondContact O-N 3.47Å; C202-L205 WeakPolarHBondContact O-CB 3.34Å; C202-L205 PolarHBondContact O-N 3.2Å; C202-L205 VanDerWaalsContact O-N 3.15Å; L205-K207 VanDerWaalsContact C-N 3.34Å; L205-K207 PolarHBondContact O-N 3.42Å; L205-V208 PolarHBondContact O-N 3.22Å; L205-F209 VanDerWaalsContact O-CB 3.24Å; L205-F209 WeakPolarHBondContact O-CB 3.12Å; L205-F209 PolarHBondContact O-N 3.1Å |
| 206 | I | 92.1 | Very high | 88.5 | Confident | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.072 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -62.6 | -41.4 | 175.8 | -67.5 | 166.4 | 0 | 0 | 0 | 110.7 | L187 L188 A191 C202 L203 F209 V210 | L187-I206 HydrophobicContact CB-CD1 4.15Å; L187-I206 HydrophobicContact CB-CG1 4.26Å; L187-I206 WeakPolarHBondContact O-CD1 3.48Å; L188-I206 HydrophobicContact CD2-CB 4.35Å; L188-I206 HydrophobicContact CD2-CD1 3.85Å; L188-I206 HydrophobicContact CD2-CG2 3.89Å; L188-I206 HydrophobicContact CG-CG2 4.26Å; A191-I206 HydrophobicContact CB-CD1 3.85Å; C202-I206 WeakPolarHBondContact O-CG1 3.5Å; C202-I206 PolarHBondContact O-N 3.41Å; L203-I206 PolarHBondContact O-N 2.91Å; I206-F209 WeakPolarHBondContact O-CB 3.19Å; I206-F209 PolarHBondContact O-N 3.24Å; I206-V210 HydrophobicContact CG2-CG2 4.46Å; I206-V210 WeakPolarHBondContact O-CG2 3.33Å; I206-V210 PolarHBondContact O-N 3.03Å |
| 207 | K | 91.2 | Very high | 89.4 | Confident | 147 Ų | 147 | 64 Ų | 64 | 64% | 0.639 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -60.7 | -47.7 | 174.3 | -73 | -170.4 | 177.4 | -169.1 | 0 | 112.2 | L203 R204 L205 F209 V210 L211 | L203-K207 PolarHBondContact O-N 2.9Å; R204-K207 PolarHBondContact O-N 3.46Å; L205-K207 VanDerWaalsContact C-N 3.34Å; L205-K207 PolarHBondContact O-N 3.42Å; K207-F209 VanDerWaalsContact C-N 3.27Å; K207-F209 PolarHBondContact O-N 3.37Å; K207-V210 PolarHBondContact O-N 3.43Å; K207-L211 PolarHBondContact O-N 3.28Å |
| 208 | V | 93.8 | Very high | 90.4 | Very high | 82 Ų | 82 | 56.6 Ų | 56.6 | 50% | 0.497 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.7 | -38.5 | 176.4 | 173 | 0 | 0 | 0 | 0 | 111.3 | R204 L205 L211 T212 | R204-V208 WeakPolarHBondContact O-CG2 3.26Å; R204-V208 PolarHBondContact O-N 3.47Å; L205-V208 PolarHBondContact O-N 3.22Å; V208-L211 PolarHBondContact O-N 3.46Å; V208-T212 WeakPolarHBondContact O-CB 3.26Å; V208-T212 PolarHBondContact O-N 2.9Å; V208-T212 PolarHBondContact O-OG1 2.76Å |
| 209 | F | 94.6 | Very high | 91.3 | Very high | 38 Ų | 38 | 51.7 Ų | 51.7 | 17% | 0.167 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -49.4 | 176.3 | 172.5 | -107.1 | 0 | 0 | 0 | 111.9 | I76 Y183 L187 L205 I206 K207 L211 T212 S213 | I76-F209 HydrophobicContact CG2-CE2 4.5Å; I76-F209 HydrophobicContact CG2-CZ 4.2Å; I76-F209 WeakPolarHBondContact O-CE2 3.47Å; I76-F209 WeakPolarHBondContact O-CZ 3.42Å; Y183-F209 AromaticContact CE2-CE1 3.92Å; Y183-F209 HydrophobicContact CE2-CE1 3.92Å; Y183-F209 AromaticContact CE2-CZ 3.84Å; Y183-F209 HydrophobicContact CE2-CZ 3.84Å; L187-F209 HydrophobicContact CD1-CD1 3.93Å; L187-F209 HydrophobicContact CD1-CE1 3.82Å; L205-F209 VanDerWaalsContact O-CB 3.24Å; L205-F209 WeakPolarHBondContact O-CB 3.12Å; L205-F209 PolarHBondContact O-N 3.1Å; I206-F209 WeakPolarHBondContact O-CB 3.19Å; I206-F209 PolarHBondContact O-N 3.24Å; K207-F209 VanDerWaalsContact C-N 3.27Å; K207-F209 PolarHBondContact O-N 3.37Å; F209-L211 VanDerWaalsContact C-N 3.3Å; F209-L211 PolarHBondContact O-N 2.85Å; F209-T212 PolarHBondContact O-N 3.08Å; F209-S213 WeakPolarHBondContact O-CB 3.48Å; F209-S213 PolarHBondContact O-N 3.37Å |
| 210 | V | 94.3 | Very high | 91.7 | Very high | 16 Ų | 16 | 50.9 Ų | 50.9 | 10% | 0.097 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60.2 | -41 | 176.4 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | K185 I206 K207 T212 S213 N214 | K185-V210 HydrophobicContact CG-CG2 4.08Å; I206-V210 HydrophobicContact CG2-CG2 4.46Å; I206-V210 WeakPolarHBondContact O-CG2 3.33Å; I206-V210 PolarHBondContact O-N 3.03Å; K207-V210 PolarHBondContact O-N 3.43Å; V210-T212 PolarHBondContact O-N 2.62Å; V210-S213 PolarHBondContact O-N 3.13Å; V210-N214 WeakPolarHBondContact CG1-ND2 3.45Å; V210-N214 PolarHBondContact O-N 3.43Å; V210-N214 PolarHBondContact O-ND2 2.82Å |
| 211 | L | 93.6 | Very high | 91.9 | Very high | 54 Ų | 54 | 47.4 Ų | 47.4 | 28% | 0.283 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.8 | -44.6 | 176 | -165.3 | 72.3 | 0 | 0 | 0 | 111.9 | F149 K207 V208 F209 S213 N214 F215 V233 | F149-L211 HydrophobicContact CE2-CD1 4.22Å; F149-L211 HydrophobicContact CZ-CD1 4.43Å; K207-L211 PolarHBondContact O-N 3.28Å; V208-L211 PolarHBondContact O-N 3.46Å; F209-L211 VanDerWaalsContact C-N 3.3Å; F209-L211 PolarHBondContact O-N 2.85Å; L211-S213 VanDerWaalsContact C-N 3.35Å; L211-S213 PolarHBondContact O-N 2.99Å; L211-N214 PolarHBondContact O-N 3.33Å; L211-F215 PolarHBondContact O-N 3.27Å; L211-V233 HydrophobicContact CD1-CG1 3.2Å; L211-V233 HydrophobicContact CD2-CG1 4.41Å; L211-V233 HydrophobicContact CG-CG1 3.62Å |
| 212 | T | 93.9 | Very high | 91.7 | Very high | 63 Ų | 63 | 44.5 Ų | 44.5 | 39% | 0.387 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.4 | -38.8 | 178 | -56.9 | 0 | 0 | 0 | 0 | 111.7 | V208 F209 V210 F215 Q216 | V208-T212 WeakPolarHBondContact O-CB 3.26Å; V208-T212 PolarHBondContact O-N 2.9Å; V208-T212 PolarHBondContact O-OG1 2.76Å; F209-T212 PolarHBondContact O-N 3.08Å; V210-T212 PolarHBondContact O-N 2.62Å; T212-F215 WeakPolarHBondContact O-CB 3.39Å; T212-F215 PolarHBondContact O-N 3.35Å; T212-Q216 WeakPolarHBondContact O-CB 3.24Å; T212-Q216 PolarHBondContact O-N 2.94Å |
| 213 | S | 94.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 174.5 | 172.9 | 0 | 0 | 0 | 0 | 111.7 | Y83 S181 F209 V210 L211 F215 Q216 A217 | Y83-S213 WeakPolarHBondContact OH-CB 3.44Å; Y83-S213 PolarHBondContact OH-OG 3.22Å; S181-S213 VanDerWaalsContact CA-OG 3.31Å; S181-S213 WeakPolarHBondContact CA-OG 3.37Å; S181-S213 WeakPolarHBondContact CB-OG 3.47Å; S181-S213 PolarHBondContact O-OG 2.94Å; F209-S213 WeakPolarHBondContact O-CB 3.48Å; F209-S213 PolarHBondContact O-N 3.37Å; V210-S213 PolarHBondContact O-N 3.13Å; L211-S213 VanDerWaalsContact C-N 3.35Å; L211-S213 PolarHBondContact O-N 2.99Å; S213-F215 PolarHBondContact O-N 3.49Å; S213-Q216 WeakPolarHBondContact O-CB 3.32Å; S213-Q216 PolarHBondContact O-N 3.47Å; S213-A217 WeakPolarHBondContact O-CB 3.4Å; S213-A217 PolarHBondContact O-N 3.46Å |
| 214 | N | 93.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.011 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.2 | -42 | 175.5 | -77.8 | -67.1 | 0 | 0 | 0 | 112 | F149 S181 V210 L211 Q216 A217 I218 | F149-N214 HydrophobicContact CE1-CB 4.23Å; F149-N214 HydrophobicContact CZ-CB 4.13Å; S181-N214 PolarHBondContact OG-OD1 3.23Å; V210-N214 WeakPolarHBondContact CG1-ND2 3.45Å; V210-N214 PolarHBondContact O-N 3.43Å; V210-N214 PolarHBondContact O-ND2 2.82Å; L211-N214 PolarHBondContact O-N 3.33Å; N214-Q216 VanDerWaalsContact C-N 3.31Å; N214-Q216 PolarHBondContact O-N 3.08Å; N214-A217 PolarHBondContact O-N 3.35Å; N214-I218 WeakPolarHBondContact O-CG1 3.36Å; N214-I218 PolarHBondContact O-N 3.03Å |
| 215 | F | 94.3 | Very high | 91 | Very high | 41 Ų | 41 | 45.8 Ų | 45.8 | 18% | 0.18 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -45.5 | 172.1 | 167.6 | -105.4 | 0 | 0 | 0 | 112 | L211 T212 S213 R219 R226 L230 V233 | L211-F215 PolarHBondContact O-N 3.27Å; T212-F215 WeakPolarHBondContact O-CB 3.39Å; T212-F215 PolarHBondContact O-N 3.35Å; S213-F215 PolarHBondContact O-N 3.49Å; F215-R219 WeakPolarHBondContact O-CB 3.19Å; F215-R219 PolarHBondContact O-N 3.3Å; F215-R219 VanDerWaalsContact O-N 3.1Å; F215-R226 WeakPolarHBondContact CE2-O 3.36Å; F215-R226 HydrophobicContact CZ-CB 4.27Å; F215-L230 HydrophobicContact CD2-CB 4.23Å; F215-L230 HydrophobicContact CE2-CB 3.89Å; F215-V233 HydrophobicContact CB-CG2 3.98Å |
| 216 | Q | 93.9 | Very high | 90.9 | Very high | 10 Ų | 10 | 49 Ų | 49 | 5% | 0.047 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.1 | -43 | 178.2 | -172.6 | 61.9 | 37.7 | 0 | 0 | 111.9 | C78 A80 Y83 T212 S213 N214 R219 V220 | C78-Q216 HydrophobicContact CB-CG 4.39Å; C78-Q216 WeakPolarHBondContact O-CG 3.24Å; A80-Q216 VanDerWaalsContact CB-NE2 3.29Å; Y83-Q216 HydrophobicContact CD2-CG 4.16Å; Y83-Q216 HydrophobicContact CE2-CG 4.18Å; Y83-Q216 HydrophobicContact CG-CG 4.43Å; T212-Q216 WeakPolarHBondContact O-CB 3.24Å; T212-Q216 PolarHBondContact O-N 2.94Å; S213-Q216 WeakPolarHBondContact O-CB 3.32Å; S213-Q216 PolarHBondContact O-N 3.47Å; N214-Q216 VanDerWaalsContact C-N 3.31Å; N214-Q216 PolarHBondContact O-N 3.08Å; Q216-R219 VanDerWaalsContact CD-NH2 3.26Å; Q216-R219 PolarHBondContact O-N 3.38Å; Q216-V220 WeakPolarHBondContact O-CB 3.21Å; Q216-V220 VanDerWaalsContact O-CG2 3.28Å; Q216-V220 WeakPolarHBondContact O-CG2 3.3Å; Q216-V220 PolarHBondContact O-N 2.97Å |
| 217 | A | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 58.4 Ų | 58.4 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.5 | -46.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y83 A177 S213 N214 R219 V220 T221 | Y83-A217 HydrophobicContact CD1-CB 4.12Å; Y83-A217 HydrophobicContact CE1-CB 4Å; A177-A217 HydrophobicContact CB-CB 4.31Å; S213-A217 WeakPolarHBondContact O-CB 3.4Å; S213-A217 PolarHBondContact O-N 3.46Å; N214-A217 PolarHBondContact O-N 3.35Å; A217-R219 PolarHBondContact O-N 3.06Å; A217-V220 PolarHBondContact O-N 3.31Å; A217-T221 WeakPolarHBondContact O-CB 3.39Å; A217-T221 PolarHBondContact O-N 3.06Å; A217-T221 PolarHBondContact O-OG1 3.24Å |
| 218 | I | 92.1 | Very high | 90.8 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.9 | -47.6 | 176.4 | -66.7 | 165.8 | 0 | 0 | 0 | 110 | I153 L174 L178 N214 V220 T221 L222 A232 V233 | I153-I218 HydrophobicContact CD1-CD1 4.11Å; I153-I218 HydrophobicContact CG1-CD1 4.32Å; I153-I218 HydrophobicContact CG2-CD1 3.8Å; I153-I218 HydrophobicContact CG2-CG1 4.43Å; L174-I218 HydrophobicContact CD1-CG1 4.32Å; L178-I218 HydrophobicContact CD2-CD1 4.18Å; L178-I218 HydrophobicContact CD2-CG1 3.92Å; N214-I218 WeakPolarHBondContact O-CG1 3.36Å; N214-I218 PolarHBondContact O-N 3.03Å; I218-V220 VanDerWaalsContact C-N 3.34Å; I218-V220 PolarHBondContact O-N 3.47Å; I218-T221 PolarHBondContact O-N 3.39Å; I218-L222 HydrophobicContact CG2-CD1 3.88Å; I218-L222 WeakPolarHBondContact O-CB 3.29Å; I218-L222 PolarHBondContact O-N 2.99Å; I218-A232 HydrophobicContact CD1-CB 4.29Å; I218-V233 HydrophobicContact CD1-CG2 3.66Å |
| 219 | R | 91.6 | Very high | 90.7 | Very high | 60 Ų | 60 | 48.7 Ų | 48.7 | 23% | 0.226 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.8 | -42.4 | -179.8 | -168.2 | 174.7 | 82 | -122.8 | 7.4 | 112.3 | F215 Q216 A217 N223 S229 | F215-R219 WeakPolarHBondContact O-CB 3.19Å; F215-R219 PolarHBondContact O-N 3.3Å; F215-R219 VanDerWaalsContact O-N 3.1Å; Q216-R219 VanDerWaalsContact CD-NH2 3.26Å; Q216-R219 PolarHBondContact O-N 3.38Å; A217-R219 PolarHBondContact O-N 3.06Å; R219-N223 VanDerWaalsContact O-CA 3.25Å; R219-N223 WeakPolarHBondContact O-CA 3.33Å; R219-N223 PolarHBondContact O-N 3.35Å; R219-S229 WeakPolarHBondContact CA-OG 3.45Å |
| 220 | V | 90.3 | Very high | 90.6 | Very high | 3 Ų | 3 | 51.2 Ų | 51.2 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -68.6 | -41.6 | 179.4 | 164.5 | 0 | 0 | 0 | 0 | 111.6 | A80 R84 F88 Q216 A217 I218 | A80-V220 HydrophobicContact CB-CG2 3.95Å; R84-V220 HydrophobicContact CB-CG1 4.39Å; R84-V220 HydrophobicContact CG-CG1 3.38Å; F88-V220 HydrophobicContact CE2-CG1 4.35Å; Q216-V220 WeakPolarHBondContact O-CB 3.21Å; Q216-V220 VanDerWaalsContact O-CG2 3.28Å; Q216-V220 WeakPolarHBondContact O-CG2 3.3Å; Q216-V220 PolarHBondContact O-N 2.97Å; A217-V220 PolarHBondContact O-N 3.31Å; I218-V220 VanDerWaalsContact C-N 3.34Å; I218-V220 PolarHBondContact O-N 3.47Å |
| 221 | T | 88.9 | Confident | 90.6 | Very high | 13 Ų | 13 | 54.5 Ų | 54.5 | 8% | 0.08 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.4 | -46 | -176.2 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | L87 L173 L174 A177 A217 I218 | L87-T221 HydrophobicContact CD2-CG2 4.16Å; L87-T221 WeakPolarHBondContact CD2-OG1 3.29Å; L173-T221 HydrophobicContact CD2-CG2 3.88Å; L173-T221 HydrophobicContact CG-CG2 4.14Å; L174-T221 HydrophobicContact CB-CG2 4.37Å; L174-T221 HydrophobicContact CD1-CG2 4.22Å; A177-T221 WeakPolarHBondContact CB-OG1 3.36Å; A217-T221 WeakPolarHBondContact O-CB 3.39Å; A217-T221 PolarHBondContact O-N 3.06Å; A217-T221 PolarHBondContact O-OG1 3.24Å; I218-T221 PolarHBondContact O-N 3.39Å |
| 222 | L | 84 | Confident | 90.5 | Very high | 33 Ų | 33 | 52 Ų | 52 | 17% | 0.173 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -92.2 | -14.8 | -174.4 | -60.3 | 179.5 | 0 | 0 | 0 | 113.4 | L157 L161 P169 I218 T224 | L157-L222 HydrophobicContact CD1-CD1 3.81Å; L157-L222 HydrophobicContact CD2-CD1 3.67Å; L157-L222 HydrophobicContact CG-CD1 4.37Å; L161-L222 HydrophobicContact CD1-CD1 4.38Å; L161-L222 HydrophobicContact CD2-CD2 4.29Å; P169-L222 HydrophobicContact CB-CD2 4.17Å; I218-L222 HydrophobicContact CG2-CD1 3.88Å; I218-L222 WeakPolarHBondContact O-CB 3.29Å; I218-L222 PolarHBondContact O-N 2.99Å; L222-T224 HydrophobicContact CB-CG2 4.09Å; L222-T224 WeakPolarHBondContact CB-OG1 3.5Å; L222-T224 PolarHBondContact O-N 3.45Å |
| 223 | N | 84.2 | Confident | 90.6 | Very high | 96 Ų | 96 | 49.3 Ų | 49.3 | 51% | 0.513 | 23% | 0.228 | S | C | . | . | trans | 52.1 | 35.5 | -175.7 | -161.3 | 56.1 | 0 | 0 | 0 | 113.3 | N33 R219 | N33-N223 WeakPolarHBondContact ND2-CB 3.45Å; R219-N223 VanDerWaalsContact O-CA 3.25Å; R219-N223 WeakPolarHBondContact O-CA 3.33Å; R219-N223 PolarHBondContact O-N 3.35Å | ||
| 224 | T | 80.2 | Confident | 90.6 | Very high | 33 Ų | 33 | 53 Ų | 53 | 20% | 0.202 | 25% | 0.247 | C | C | . | . | trans | -97.5 | 171.7 | -176.2 | 38.1 | 0 | 0 | 0 | 0 | 112.5 | L222 L228 | L222-T224 HydrophobicContact CB-CG2 4.09Å; L222-T224 WeakPolarHBondContact CB-OG1 3.5Å; L222-T224 PolarHBondContact O-N 3.45Å; T224-L228 HydrophobicContact CG2-CD2 3.76Å | ||
| 225 | N | 85.9 | Confident | 90.6 | Very high | 133 Ų | 133 | 54.1 Ų | 54.1 | 71% | 0.711 | 26% | 0.255 | S | S | * | . | trans | -60.4 | 146.7 | 178.1 | -70.2 | -21.1 | 0 | 0 | 0 | 111.8 | R227 L228 S229 | N225-R227 PolarHBondContact O-N 2.9Å; N225-R227 VanDerWaalsContact O-N 3.15Å; N225-L228 PolarHBondContact O-N 3.15Å; N225-L228 VanDerWaalsContact O-N 3.1Å; N225-S229 PolarHBondContact O-N 3.17Å | ||
| 226 | R | 89.6 | Confident | 90.6 | Very high | 189 Ų | 189 | 52.1 Ų | 52.1 | 71% | 0.713 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -53.8 | -37.2 | 177.9 | -65.5 | -178 | -175.6 | -176.4 | 1.3 | 112.5 | F215 L230 | F215-R226 WeakPolarHBondContact CE2-O 3.36Å; F215-R226 HydrophobicContact CZ-CB 4.27Å; R226-L230 WeakPolarHBondContact O-CB 3.39Å; R226-L230 PolarHBondContact O-N 2.63Å |
| 227 | R | 89.7 | Confident | 90.7 | Very high | 212 Ų | 212 | 54.6 Ų | 54.6 | 80% | 0.8 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -62.5 | -45.9 | 178.9 | -68.2 | -173 | 179.5 | 178.6 | -0.2 | 112.4 | N225 L230 L231 | N225-R227 PolarHBondContact O-N 2.9Å; N225-R227 VanDerWaalsContact O-N 3.15Å; R227-L230 PolarHBondContact O-N 3.47Å; R227-L231 WeakPolarHBondContact O-CG 3.13Å; R227-L231 PolarHBondContact O-N 3.31Å |
| 228 | L | 90 | Very high | 90.8 | Very high | 26 Ų | 26 | 60.1 Ų | 60.1 | 14% | 0.136 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.7 | -44.2 | -179.5 | -173.4 | 73.5 | 0 | 0 | 0 | 111.3 | F156 E160 L161 T224 N225 L230 L231 A232 | F156-L228 HydrophobicContact CE1-CD1 3.75Å; F156-L228 HydrophobicContact CE1-CG 4.43Å; F156-L228 HydrophobicContact CZ-CD1 4.12Å; E160-L228 HydrophobicContact CB-CD1 3.93Å; E160-L228 HydrophobicContact CG-CD1 4.32Å; L161-L228 HydrophobicContact CD1-CD2 4.25Å; T224-L228 HydrophobicContact CG2-CD2 3.76Å; N225-L228 PolarHBondContact O-N 3.15Å; N225-L228 VanDerWaalsContact O-N 3.1Å; L228-L230 VanDerWaalsContact C-N 3.27Å; L228-L230 PolarHBondContact O-N 2.93Å; L228-L231 PolarHBondContact O-N 3.37Å; L228-A232 WeakPolarHBondContact O-CB 3.41Å; L228-A232 PolarHBondContact O-N 3.19Å |
| 229 | S | 92 | Very high | 90.8 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -62.7 | -36.2 | 176.7 | -50.4 | 0 | 0 | 0 | 0 | 112 | R219 N225 V233 | R219-S229 WeakPolarHBondContact CA-OG 3.45Å; N225-S229 PolarHBondContact O-N 3.17Å; S229-V233 WeakPolarHBondContact O-CG2 3.42Å; S229-V233 PolarHBondContact O-N 2.81Å; S229-V233 VanDerWaalsContact O-N 3.17Å |
| 230 | L | 93.1 | Very high | 90.9 | Very high | 90 Ų | 90 | 62.8 Ų | 62.8 | 47% | 0.471 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.4 | -46.2 | 177.7 | -177.2 | 136.1 | 0 | 0 | 0 | 111.4 | F215 R226 R227 L228 A232 V233 L234 | F215-L230 HydrophobicContact CD2-CB 4.23Å; F215-L230 HydrophobicContact CE2-CB 3.89Å; R226-L230 WeakPolarHBondContact O-CB 3.39Å; R226-L230 PolarHBondContact O-N 2.63Å; R227-L230 PolarHBondContact O-N 3.47Å; L228-L230 VanDerWaalsContact C-N 3.27Å; L228-L230 PolarHBondContact O-N 2.93Å; L230-A232 VanDerWaalsContact C-N 3.3Å; L230-A232 PolarHBondContact O-N 3.18Å; L230-V233 PolarHBondContact O-N 3.01Å; L230-L234 HydrophobicContact CD2-CD1 3.58Å; L230-L234 HydrophobicContact CD2-CG 4.26Å; L230-L234 HydrophobicContact CG-CD1 4.43Å; L230-L234 WeakPolarHBondContact O-CG 3.32Å; L230-L234 PolarHBondContact O-N 2.95Å |
| 231 | L | 93.4 | Very high | 91 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 45% | 0.45 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 176 | -69.7 | 171.7 | 0 | 0 | 0 | 112 | F156 R227 L228 V233 L234 S235 | F156-L231 HydrophobicContact CE1-CB 3.85Å; F156-L231 HydrophobicContact CE2-CB 4.04Å; F156-L231 HydrophobicContact CZ-CB 3.36Å; F156-L231 HydrophobicContact CZ-CD1 4.19Å; F156-L231 HydrophobicContact CZ-CG 4.4Å; R227-L231 WeakPolarHBondContact O-CG 3.13Å; R227-L231 PolarHBondContact O-N 3.31Å; L228-L231 PolarHBondContact O-N 3.37Å; L231-V233 PolarHBondContact O-N 3.07Å; L231-L234 PolarHBondContact O-N 3.24Å; L231-S235 WeakPolarHBondContact O-CB 3.28Å; L231-S235 PolarHBondContact O-N 3.47Å |
| 232 | A | 93 | Very high | 91.2 | Very high | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I153 F156 L157 I218 L228 L230 S235 G236 | I153-A232 WeakPolarHBondContact CG1-O 3.25Å; F156-A232 HydrophobicContact CD1-CB 3.59Å; F156-A232 HydrophobicContact CE1-CB 3.95Å; L157-A232 HydrophobicContact CD2-CB 4.02Å; L157-A232 HydrophobicContact CG-CB 4.2Å; I218-A232 HydrophobicContact CD1-CB 4.29Å; L228-A232 WeakPolarHBondContact O-CB 3.41Å; L228-A232 PolarHBondContact O-N 3.19Å; L230-A232 VanDerWaalsContact C-N 3.3Å; L230-A232 PolarHBondContact O-N 3.18Å; A232-S235 PolarHBondContact O-N 3.11Å; A232-S235 PolarHBondContact O-OG 2.94Å; A232-G236 PolarHBondContact O-N 3.39Å |
| 233 | V | 94.9 | Very high | 91.6 | Very high | 7 Ų | 7 | 71.1 Ų | 71.1 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65 | -41.3 | 176.8 | 171.8 | 0 | 0 | 0 | 0 | 111.9 | L211 F215 I218 S229 L230 L231 S235 G236 L237 | L211-V233 HydrophobicContact CD1-CG1 3.2Å; L211-V233 HydrophobicContact CD2-CG1 4.41Å; L211-V233 HydrophobicContact CG-CG1 3.62Å; F215-V233 HydrophobicContact CB-CG2 3.98Å; I218-V233 HydrophobicContact CD1-CG2 3.66Å; S229-V233 WeakPolarHBondContact O-CG2 3.42Å; S229-V233 PolarHBondContact O-N 2.81Å; S229-V233 VanDerWaalsContact O-N 3.17Å; L230-V233 PolarHBondContact O-N 3.01Å; L231-V233 PolarHBondContact O-N 3.07Å; V233-S235 VanDerWaalsContact C-N 3.33Å; V233-S235 PolarHBondContact O-N 3.29Å; V233-G236 PolarHBondContact O-N 3.26Å; V233-L237 PolarHBondContact O-N 2.75Å |
| 234 | L | 94.7 | Very high | 91.8 | Very high | 79 Ų | 79 | 68.4 Ų | 68.4 | 41% | 0.414 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 175.7 | -70.2 | 177.6 | 0 | 0 | 0 | 111.8 | L230 L231 G236 L237 L238 | L230-L234 HydrophobicContact CD2-CD1 3.58Å; L230-L234 HydrophobicContact CD2-CG 4.26Å; L230-L234 HydrophobicContact CG-CD1 4.43Å; L230-L234 WeakPolarHBondContact O-CG 3.32Å; L230-L234 PolarHBondContact O-N 2.95Å; L231-L234 PolarHBondContact O-N 3.24Å; L234-G236 VanDerWaalsContact C-N 3.33Å; L234-G236 PolarHBondContact O-N 3.21Å; L234-L237 PolarHBondContact O-N 2.89Å; L234-L238 WeakPolarHBondContact O-CG 3.36Å; L234-L238 PolarHBondContact O-N 3.45Å |
| 235 | S | 94.8 | Very high | 92.3 | Very high | 24 Ų | 24 | 73.5 Ų | 73.5 | 17% | 0.168 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.8 | -38.3 | 175.7 | 73.3 | 0 | 0 | 0 | 0 | 112.6 | G152 F156 L231 A232 V233 L238 L239 | G152-S235 PolarHBondContact O-OG 2.95Å; F156-S235 WeakPolarHBondContact CB-OG 3.49Å; L231-S235 WeakPolarHBondContact O-CB 3.28Å; L231-S235 PolarHBondContact O-N 3.47Å; A232-S235 PolarHBondContact O-N 3.11Å; A232-S235 PolarHBondContact O-OG 2.94Å; V233-S235 VanDerWaalsContact C-N 3.33Å; V233-S235 PolarHBondContact O-N 3.29Å; S235-L238 PolarHBondContact O-N 3.02Å; S235-L239 PolarHBondContact O-N 3.4Å; S235-L239 VanDerWaalsContact O-N 3.11Å |
| 236 | G | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.4 | -47.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112 | F149 A232 V233 L234 L238 L239 E240 | F149-G236 VanDerWaalsContact CD2-C 3.45Å; F149-G236 WeakPolarHBondContact O-CA 3.45Å; A232-G236 PolarHBondContact O-N 3.39Å; V233-G236 PolarHBondContact O-N 3.26Å; L234-G236 VanDerWaalsContact C-N 3.33Å; L234-G236 PolarHBondContact O-N 3.21Å; G236-L238 VanDerWaalsContact C-N 3.29Å; G236-L238 PolarHBondContact O-N 2.66Å; G236-L239 PolarHBondContact O-N 2.92Å; G236-E240 WeakPolarHBondContact O-CB 3.36Å; G236-E240 PolarHBondContact O-N 3.33Å |
| 237 | L | 94.2 | Very high | 92.5 | Very high | 62 Ų | 62 | 65 Ų | 65 | 33% | 0.325 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.4 | -36.3 | 178.7 | -174.9 | 66.3 | 0 | 0 | 0 | 112.3 | V233 L234 S241 | V233-L237 PolarHBondContact O-N 2.75Å; L234-L237 PolarHBondContact O-N 2.89Å; L237-S241 WeakPolarHBondContact O-CB 2.89Å; L237-S241 PolarHBondContact O-N 2.89Å; L237-S241 PolarHBondContact O-OG 3.46Å |
| 238 | L | 94.9 | Very high | 92.3 | Very high | 116 Ų | 116 | 60.5 Ų | 60.5 | 61% | 0.607 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.1 | -47 | 174.3 | -75.1 | 171.6 | 0 | 0 | 0 | 111.3 | L234 S235 G236 S241 I242 | L234-L238 WeakPolarHBondContact O-CG 3.36Å; L234-L238 PolarHBondContact O-N 3.45Å; S235-L238 PolarHBondContact O-N 3.02Å; G236-L238 VanDerWaalsContact C-N 3.29Å; G236-L238 PolarHBondContact O-N 2.66Å; L238-S241 PolarHBondContact O-N 2.73Å; L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.38Å; L238-I242 PolarHBondContact O-N 3.46Å |
| 239 | L | 93.9 | Very high | 92.1 | Very high | 66 Ų | 66 | 66 Ų | 66 | 35% | 0.346 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66.2 | -39 | 179.1 | -155.9 | 81.5 | 0 | 0 | 0 | 112 | A148 A151 S235 G236 I242 M243 | A148-L239 HydrophobicContact CB-CD2 4.25Å; A148-L239 HydrophobicContact CB-CG 4.49Å; A148-L239 WeakPolarHBondContact O-CD2 3.33Å; A151-L239 HydrophobicContact CB-CD2 3.95Å; S235-L239 PolarHBondContact O-N 3.4Å; S235-L239 VanDerWaalsContact O-N 3.11Å; G236-L239 PolarHBondContact O-N 2.92Å; L239-I242 PolarHBondContact O-N 3.24Å; L239-M243 WeakPolarHBondContact O-CG 3.46Å; L239-M243 PolarHBondContact O-N 3.36Å |
| 240 | E | 93.6 | Very high | 91.6 | Very high | 50 Ų | 50 | 69.5 Ų | 69.5 | 23% | 0.234 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -57.3 | -49.5 | 171.3 | -177.1 | -171.8 | 156.5 | 0 | 0 | 110.8 | E145 F149 G236 I242 M243 V244 | E145-E240 HydrophobicContact CB-CG 4.33Å; F149-E240 HydrophobicContact CB-CB 4.22Å; F149-E240 VanDerWaalsContact CD2-OE2 3.32Å; F149-E240 WeakPolarHBondContact CD2-OE2 3.2Å; G236-E240 WeakPolarHBondContact O-CB 3.36Å; G236-E240 PolarHBondContact O-N 3.33Å; E240-I242 VanDerWaalsContact C-N 3.33Å; E240-I242 PolarHBondContact O-N 3.18Å; E240-M243 PolarHBondContact O-N 3.09Å; E240-M243 VanDerWaalsContact O-N 3.11Å; E240-V244 WeakPolarHBondContact O-CG2 3.42Å; E240-V244 PolarHBondContact O-N 3.46Å |
| 241 | S | 91.4 | Very high | 90.9 | Very high | 63 Ų | 63 | 68.7 Ų | 68.7 | 44% | 0.441 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 179.9 | -57.5 | 0 | 0 | 0 | 0 | 112.5 | L237 L238 M243 V244 Y245 | L237-S241 WeakPolarHBondContact O-CB 2.89Å; L237-S241 PolarHBondContact O-N 2.89Å; L237-S241 PolarHBondContact O-OG 3.46Å; L238-S241 PolarHBondContact O-N 2.73Å; S241-M243 VanDerWaalsContact C-N 3.33Å; S241-V244 PolarHBondContact O-N 3.08Å; S241-Y245 WeakPolarHBondContact O-CB 3.47Å; S241-Y245 PolarHBondContact O-N 2.95Å |
| 242 | I | 92.6 | Very high | 89.8 | Confident | 105 Ų | 105 | 74.1 Ų | 74.1 | 54% | 0.538 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 174.4 | -70.3 | 164.6 | 0 | 0 | 0 | 110.5 | L238 L239 E240 Y245 F246 | L238-I242 VanDerWaalsContact O-CG1 3.28Å; L238-I242 WeakPolarHBondContact O-CG1 3.38Å; L238-I242 PolarHBondContact O-N 3.46Å; L239-I242 PolarHBondContact O-N 3.24Å; E240-I242 VanDerWaalsContact C-N 3.33Å; E240-I242 PolarHBondContact O-N 3.18Å; I242-Y245 PolarHBondContact O-N 3.18Å; I242-F246 WeakPolarHBondContact O-CB 3.46Å; I242-F246 PolarHBondContact O-N 3.3Å |
| 243 | M | 92.5 | Very high | 88.7 | Confident | 56 Ų | 56 | 77.7 Ų | 77.7 | 28% | 0.276 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -67.7 | -41.4 | 178.2 | -74.2 | -73.9 | -96.9 | 0 | 0 | 111.9 | A148 L239 E240 S241 Y245 F246 F247 | A148-M243 HydrophobicContact CB-CB 4.05Å; A148-M243 HydrophobicContact CB-CE 4.34Å; A148-M243 HydrophobicContact CB-CG 3.55Å; L239-M243 WeakPolarHBondContact O-CG 3.46Å; L239-M243 PolarHBondContact O-N 3.36Å; E240-M243 PolarHBondContact O-N 3.09Å; E240-M243 VanDerWaalsContact O-N 3.11Å; S241-M243 VanDerWaalsContact C-N 3.33Å; M243-Y245 VanDerWaalsContact C-N 3.34Å; M243-Y245 PolarHBondContact O-N 3.31Å; M243-F246 PolarHBondContact O-N 3.13Å; M243-F247 WeakPolarHBondContact O-CD2 3.29Å; M243-F247 PolarHBondContact O-N 3.41Å |
| 244 | V | 89.9 | Confident | 87.4 | Confident | 39 Ų | 39 | 81.7 Ų | 81.7 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -57.7 | -48.2 | 172.7 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | E145 E240 S241 F246 F247 Q248 | E145-V244 VanDerWaalsContact CD-CG2 3.49Å; E145-V244 HydrophobicContact CG-CG2 3.87Å; E145-V244 WeakPolarHBondContact OE1-CG2 3.47Å; E240-V244 WeakPolarHBondContact O-CG2 3.42Å; E240-V244 PolarHBondContact O-N 3.46Å; S241-V244 PolarHBondContact O-N 3.08Å; V244-F246 VanDerWaalsContact C-N 3.31Å; V244-F246 PolarHBondContact O-N 2.97Å; V244-F247 PolarHBondContact O-N 3.48Å; V244-Q248 HydrophobicContact CG1-CG 4.48Å; V244-Q248 WeakPolarHBondContact O-CG 3.4Å; V244-Q248 PolarHBondContact O-N 2.9Å |
| 245 | Y | 90.5 | Very high | 85.9 | Confident | 141 Ų | 141 | 79.9 Ų | 79.9 | 55% | 0.553 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.7 | -41.3 | 178 | 176.8 | -100 | 0 | 0 | 0 | 112.1 | S241 I242 M243 Q248 R249 | S241-Y245 WeakPolarHBondContact O-CB 3.47Å; S241-Y245 PolarHBondContact O-N 2.95Å; I242-Y245 PolarHBondContact O-N 3.18Å; M243-Y245 VanDerWaalsContact C-N 3.34Å; M243-Y245 PolarHBondContact O-N 3.31Å; Y245-Q248 PolarHBondContact O-N 2.91Å; Y245-R249 WeakPolarHBondContact O-CB 3.5Å; Y245-R249 PolarHBondContact O-N 3.35Å |
| 246 | F | 90.3 | Very high | 84.1 | Confident | 108 Ų | 108 | 81.5 Ų | 81.5 | 47% | 0.474 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 176.7 | -178.1 | -100.2 | 0 | 0 | 0 | 112.2 | I242 M243 V244 R249 M250 | I242-F246 WeakPolarHBondContact O-CB 3.46Å; I242-F246 PolarHBondContact O-N 3.3Å; M243-F246 PolarHBondContact O-N 3.13Å; V244-F246 VanDerWaalsContact C-N 3.31Å; V244-F246 PolarHBondContact O-N 2.97Å; F246-R249 PolarHBondContact O-N 3.49Å; F246-M250 HydrophobicContact CD1-CE 3.76Å; F246-M250 HydrophobicContact CD1-CG 4.37Å; F246-M250 HydrophobicContact CD1-SD 4.13Å; F246-M250 HydrophobicContact CE1-CE 3.39Å; F246-M250 HydrophobicContact CE1-CG 3.98Å; F246-M250 HydrophobicContact CE1-SD 3.32Å; F246-M250 WeakPolarHBondContact CE1-SD 3.41Å; F246-M250 HydrophobicContact CE2-CG 4.47Å; F246-M250 HydrophobicContact CZ-CE 4.27Å; F246-M250 HydrophobicContact CZ-CG 4.02Å; F246-M250 HydrophobicContact CZ-SD 3.58Å; F246-M250 VanDerWaalsContact CZ-SD 3.58Å; F246-M250 WeakPolarHBondContact O-CG 3.39Å; F246-M250 PolarHBondContact O-N 3.22Å |
| 247 | F | 88 | Confident | 82.3 | Confident | 34 Ų | 34 | 86.5 Ų | 86.5 | 15% | 0.149 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.8 | -78.1 | -63.9 | 0 | 0 | 0 | 112.1 | I141 F144 M243 V244 R249 M250 E251 | I141-F247 HydrophobicContact CG2-CD2 4.48Å; F144-F247 HydrophobicContact CB-CE2 3.72Å; F144-F247 HydrophobicContact CB-CZ 3.8Å; F144-F247 HydrophobicContact CD2-CE2 4.48Å; F144-F247 AromaticContact CD2-CZ 3.71Å; F144-F247 HydrophobicContact CD2-CZ 3.71Å; F144-F247 HydrophobicContact CE2-CZ 4.49Å; F144-F247 HydrophobicContact CG-CE2 4.31Å; F144-F247 AromaticContact CG-CZ 3.87Å; F144-F247 HydrophobicContact CG-CZ 3.87Å; M243-F247 WeakPolarHBondContact O-CD2 3.29Å; M243-F247 PolarHBondContact O-N 3.41Å; V244-F247 PolarHBondContact O-N 3.48Å; F247-R249 VanDerWaalsContact C-N 3.26Å; F247-R249 PolarHBondContact O-N 2.98Å; F247-M250 HydrophobicContact CD1-CE 3.52Å; F247-M250 HydrophobicContact CE1-CE 3.76Å; F247-M250 HydrophobicContact CG-CE 4.46Å; F247-M250 PolarHBondContact O-N 2.96Å; F247-E251 VanDerWaalsContact O-CG 3.29Å; F247-E251 WeakPolarHBondContact O-CG 3.32Å; F247-E251 PolarHBondContact O-N 2.91Å |
| 248 | Q | 86.1 | Confident | 80.4 | Confident | 119 Ų | 119 | 87.5 Ų | 87.5 | 56% | 0.556 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -58.3 | -40.3 | 176.7 | -73.8 | 177.9 | -14.6 | 0 | 0 | 112.2 | V244 Y245 E251 W252 | V244-Q248 HydrophobicContact CG1-CG 4.48Å; V244-Q248 WeakPolarHBondContact O-CG 3.4Å; V244-Q248 PolarHBondContact O-N 2.9Å; Y245-Q248 PolarHBondContact O-N 2.91Å; Q248-E251 PolarHBondContact O-N 3.42Å; Q248-W252 PolarHBondContact O-N 2.72Å |
| 249 | R | 86.4 | Confident | 78.5 | Confident | 142 Ų | 142 | 84.9 Ų | 84.9 | 54% | 0.536 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -66.7 | -46 | 176.9 | -175.8 | 172.2 | 179.5 | 162.7 | 0.1 | 112.1 | Y245 F246 F247 E251 W252 D253 | Y245-R249 WeakPolarHBondContact O-CB 3.5Å; Y245-R249 PolarHBondContact O-N 3.35Å; F246-R249 PolarHBondContact O-N 3.49Å; F247-R249 VanDerWaalsContact C-N 3.26Å; F247-R249 PolarHBondContact O-N 2.98Å; R249-E251 VanDerWaalsContact C-N 3.3Å; R249-E251 PolarHBondContact O-N 3.45Å; R249-W252 WeakPolarHBondContact O-CB 3.38Å; R249-W252 PolarHBondContact O-N 3.17Å; R249-D253 PolarHBondContact O-N 3.06Å |
| 250 | M | 81.8 | Confident | 76.4 | Confident | 73 Ų | 73 | 84.9 Ų | 84.9 | 36% | 0.36 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 175.9 | -73.7 | -162.5 | -56.4 | 0 | 0 | 112.2 | F246 F247 W252 D253 V254 | F246-M250 HydrophobicContact CD1-CE 3.76Å; F246-M250 HydrophobicContact CD1-CG 4.37Å; F246-M250 HydrophobicContact CD1-SD 4.13Å; F246-M250 HydrophobicContact CE1-CE 3.39Å; F246-M250 HydrophobicContact CE1-CG 3.98Å; F246-M250 HydrophobicContact CE1-SD 3.32Å; F246-M250 WeakPolarHBondContact CE1-SD 3.41Å; F246-M250 HydrophobicContact CE2-CG 4.47Å; F246-M250 HydrophobicContact CZ-CE 4.27Å; F246-M250 HydrophobicContact CZ-CG 4.02Å; F246-M250 HydrophobicContact CZ-SD 3.58Å; F246-M250 VanDerWaalsContact CZ-SD 3.58Å; F246-M250 WeakPolarHBondContact O-CG 3.39Å; F246-M250 PolarHBondContact O-N 3.22Å; F247-M250 HydrophobicContact CD1-CE 3.52Å; F247-M250 HydrophobicContact CE1-CE 3.76Å; F247-M250 HydrophobicContact CG-CE 4.46Å; F247-M250 PolarHBondContact O-N 2.96Å; M250-W252 VanDerWaalsContact C-N 3.32Å; M250-W252 PolarHBondContact O-N 3.32Å; M250-D253 PolarHBondContact O-N 3.35Å; M250-V254 VanDerWaalsContact O-CG2 3.32Å; M250-V254 WeakPolarHBondContact O-CG2 3.43Å; M250-V254 PolarHBondContact O-N 2.98Å |
| 251 | E | 78.4 | Confident | 73.9 | Confident | 73 Ų | 73 | 90.3 Ų | 90.3 | 34% | 0.341 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 176.4 | -71.1 | -177.6 | 157.6 | 0 | 0 | 112.1 | R137 F247 Q248 R249 G255 | R137-E251 IonicContact CZ-OE1 3.78Å; R137-E251 IonicContact NE-OE1 3.99Å; R137-E251 PolarHBondContact NE-OE1 2.96Å; R137-E251 VanDerWaalsContact NH2-CG 3.26Å; R137-E251 IonicContact NH2-OE1 3.33Å; R137-E251 PolarHBondContact NH2-OE1 2.96Å; R137-E251 IonicContact NH2-OE2 2.62Å; F247-E251 VanDerWaalsContact O-CG 3.29Å; F247-E251 WeakPolarHBondContact O-CG 3.32Å; F247-E251 PolarHBondContact O-N 2.91Å; Q248-E251 PolarHBondContact O-N 3.42Å; R249-E251 VanDerWaalsContact C-N 3.3Å; R249-E251 PolarHBondContact O-N 3.45Å; E251-G255 PolarHBondContact O-N 3.39Å |
| 252 | W | 68.6 | Low | 71.7 | Confident | 199 Ų | 199 | 94.6 Ų | 94.6 | 75% | 0.754 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.3 | -45.4 | 174 | -174.2 | -84.9 | 0 | 0 | 0 | 112.2 | Q248 R249 M250 G255 S256 | Q248-W252 PolarHBondContact O-N 2.72Å; R249-W252 WeakPolarHBondContact O-CB 3.38Å; R249-W252 PolarHBondContact O-N 3.17Å; M250-W252 VanDerWaalsContact C-N 3.32Å; M250-W252 PolarHBondContact O-N 3.32Å; W252-G255 PolarHBondContact O-N 3.09Å; W252-S256 WeakPolarHBondContact O-CB 3.45Å; W252-S256 PolarHBondContact O-N 3.03Å |
| 253 | D | 70.2 | Confident | 69.5 | Low | 76 Ų | 76 | 93.5 Ų | 93.5 | 41% | 0.406 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.1 | -45.4 | -179.6 | -67.5 | -23.6 | 0 | 0 | 0 | 110.8 | R249 M250 G255 S256 D257 | R249-D253 PolarHBondContact O-N 3.06Å; M250-D253 PolarHBondContact O-N 3.35Å; D253-G255 VanDerWaalsContact C-N 3.35Å; D253-G255 PolarHBondContact O-N 3.47Å; D253-S256 WeakPolarHBondContact O-CB 3.47Å; D253-S256 PolarHBondContact O-N 3.02Å; D253-D257 PolarHBondContact O-N 3.37Å |
| 254 | V | 69.1 | Low | 67.5 | Low | 90 Ų | 90 | 97.5 Ų | 97.5 | 55% | 0.545 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -37.6 | 175.6 | 173.4 | 0 | 0 | 0 | 0 | 112.3 | M250 D257 C258 | M250-V254 VanDerWaalsContact O-CG2 3.32Å; M250-V254 WeakPolarHBondContact O-CG2 3.43Å; M250-V254 PolarHBondContact O-N 2.98Å; V254-D257 PolarHBondContact O-N 3.5Å; V254-C258 WeakPolarHBondContact O-CB 3.45Å; V254-C258 PolarHBondContact O-N 2.89Å; V254-C258 PolarHBondContact O-SG 2.97Å |
| 255 | G | 62.1 | Low | 65.3 | Low | 41 Ų | 41 | 101.8 Ų | 101.8 | 42% | 0.423 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E251 W252 D253 A259 | E251-G255 PolarHBondContact O-N 3.39Å; W252-G255 PolarHBondContact O-N 3.09Å; D253-G255 VanDerWaalsContact C-N 3.35Å; D253-G255 PolarHBondContact O-N 3.47Å; G255-A259 WeakPolarHBondContact O-CB 3.47Å; G255-A259 PolarHBondContact O-N 3.21Å |
| 256 | S | 56.6 | Low | 62.9 | Low | 59 Ų | 59 | 106.5 Ų | 106.5 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 174.4 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | W252 D253 C258 A259 V260 | W252-S256 WeakPolarHBondContact O-CB 3.45Å; W252-S256 PolarHBondContact O-N 3.03Å; D253-S256 WeakPolarHBondContact O-CB 3.47Å; D253-S256 PolarHBondContact O-N 3.02Å; S256-C258 PolarHBondContact O-N 3.43Å; S256-A259 PolarHBondContact O-N 3.05Å; S256-A259 VanDerWaalsContact O-N 3.17Å; S256-V260 VanDerWaalsContact O-CG2 3.31Å; S256-V260 WeakPolarHBondContact O-CG2 3.43Å; S256-V260 PolarHBondContact O-N 3.46Å |
| 257 | D | 58.2 | Low | 61.5 | Low | 104 Ų | 104 | 106.5 Ų | 106.5 | 56% | 0.556 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -39.7 | 179.9 | -70.2 | -21.2 | 0 | 0 | 0 | 112.2 | D253 V254 V260 Y261 | D253-D257 PolarHBondContact O-N 3.37Å; V254-D257 PolarHBondContact O-N 3.5Å; D257-V260 PolarHBondContact O-N 2.94Å; D257-Y261 PolarHBondContact O-N 3.24Å |
| 258 | C | 53.9 | Low | 60.1 | Low | 83 Ų | 83 | 110.3 Ų | 110.3 | 56% | 0.561 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64 | -38.2 | 172.7 | -72.9 | 0 | 0 | 0 | 0 | 112.5 | V254 S256 K262 | V254-C258 WeakPolarHBondContact O-CB 3.45Å; V254-C258 PolarHBondContact O-N 2.89Å; V254-C258 PolarHBondContact O-SG 2.97Å; S256-C258 PolarHBondContact O-N 3.43Å; C258-K262 WeakPolarHBondContact O-CB 3.31Å; C258-K262 PolarHBondContact O-N 3.31Å; C258-K262 VanDerWaalsContact O-N 3.09Å |
| 259 | A | 53.9 | Low | 58.6 | Low | 62 Ų | 62 | 109.8 Ų | 109.8 | 51% | 0.512 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.7 | -36.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | G255 S256 K262 S263 | G255-A259 WeakPolarHBondContact O-CB 3.47Å; G255-A259 PolarHBondContact O-N 3.21Å; S256-A259 PolarHBondContact O-N 3.05Å; S256-A259 VanDerWaalsContact O-N 3.17Å; A259-K262 PolarHBondContact O-N 3.44Å; A259-S263 PolarHBondContact O-N 3.3Å; A259-S263 VanDerWaalsContact O-N 3.12Å |
| 260 | V | 50.9 | Low | 57 | Low | 66 Ų | 66 | 107.9 Ų | 107.9 | 40% | 0.4 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.8 | -45.1 | 175.2 | 171.4 | 0 | 0 | 0 | 0 | 111 | S256 D257 K262 S263 Q264 | S256-V260 VanDerWaalsContact O-CG2 3.31Å; S256-V260 WeakPolarHBondContact O-CG2 3.43Å; S256-V260 PolarHBondContact O-N 3.46Å; D257-V260 PolarHBondContact O-N 2.94Å; V260-K262 PolarHBondContact O-N 3.06Å; V260-S263 PolarHBondContact O-N 3.19Å; V260-S263 VanDerWaalsContact O-N 3.15Å; V260-S263 PolarHBondContact O-OG 3.12Å; V260-Q264 PolarHBondContact O-N 3.46Å |
| 261 | Y | 41.5 | Very low | 55.5 | Low | 163 Ų | 163 | 110.1 Ų | 110.1 | 64% | 0.639 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.1 | -44.8 | 175 | -107.8 | -84.3 | 0 | 0 | 0 | 112.1 | D257 S263 Q264 D265 | D257-Y261 PolarHBondContact O-N 3.24Å; Y261-S263 PolarHBondContact O-N 3.15Å; Y261-Q264 PolarHBondContact O-N 3.46Å; Y261-D265 PolarHBondContact O-N 2.92Å |
| 262 | K | 43.8 | Very low | 53.9 | Low | 154 Ų | 154 | 112.5 Ų | 112.5 | 67% | 0.67 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.5 | -22.6 | 178.1 | -157.5 | 174 | -173.2 | 173.6 | 0 | 113.5 | C258 A259 V260 | C258-K262 WeakPolarHBondContact O-CB 3.31Å; C258-K262 PolarHBondContact O-N 3.31Å; C258-K262 VanDerWaalsContact O-N 3.09Å; A259-K262 PolarHBondContact O-N 3.44Å; V260-K262 PolarHBondContact O-N 3.06Å |
| 263 | S | 47.8 | Very low | 52.9 | Low | 82 Ų | 82 | 106.4 Ų | 106.4 | 57% | 0.573 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -83.2 | -17.5 | 175.3 | 74.5 | 0 | 0 | 0 | 0 | 114.1 | A259 V260 Y261 | A259-S263 PolarHBondContact O-N 3.3Å; A259-S263 VanDerWaalsContact O-N 3.12Å; V260-S263 PolarHBondContact O-N 3.19Å; V260-S263 VanDerWaalsContact O-N 3.15Å; V260-S263 PolarHBondContact O-OG 3.12Å; Y261-S263 PolarHBondContact O-N 3.15Å |
| 264 | Q | 48.6 | Very low | 51.5 | Low | 139 Ų | 139 | 108.7 Ų | 108.7 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -91.9 | -15.1 | 178.9 | -74.3 | -179.9 | -13 | 0 | 0 | 113.3 | V260 Y261 F266 | V260-Q264 PolarHBondContact O-N 3.46Å; Y261-Q264 PolarHBondContact O-N 3.46Å; Q264-F266 VanDerWaalsContact C-N 3.32Å; Q264-F266 PolarHBondContact O-N 2.67Å |
| 265 | D | 44.3 | Very low | 50.1 | Low | 129 Ų | 129 | 110.3 Ų | 110.3 | 69% | 0.69 | 60% | 0.595 | S | S | * | * | trans | -90.1 | 19.9 | 179.5 | -69.4 | -31.3 | 0 | 0 | 0 | 113.9 | Y261 | Y261-D265 PolarHBondContact O-N 2.92Š| ||
| 266 | F | 39.4 | Very low | 49 | Very low | 241 Ų | 241 | 116.5 Ų | 116.5 | 100% | 1.057 | 61% | 0.611 | S | S | * | * | trans | -120 | 0 | 174.3 | -82.7 | -79.6 | 0 | 0 | 0 | 112.7 | Q264 | Q264-F266 VanDerWaalsContact C-N 3.32Å; Q264-F266 PolarHBondContact O-N 2.67Å |
Retrieved 266 of 266 residues in 119 ms
(Link to these results)