| 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 | 26.3 | Very low | 29.4 | Very low | 249 Ų | 249 | 180.5 Ų | 180.5 | 100% | 1.227 | 81% | 0.808 | S | S | * | * | 0 | 129.9 | 0 | -69.2 | 173.2 | 173.5 | 0 | 0 | 109.2 | |||||
| 2 | R | 26.1 | Very low | 30.1 | Very low | 259 Ų | 259 | 173.6 Ų | 173.6 | 98% | 0.977 | 78% | 0.779 | S | S | * | * | trans | -93.7 | 118.4 | 175.2 | -81.4 | 178.1 | 168.1 | 164.3 | -4.8 | 110.1 | ||||
| 3 | R | 28 | Very low | 30.7 | Very low | 242 Ų | 242 | 166.4 Ų | 166.4 | 91% | 0.913 | 75% | 0.752 | S | S | * | * | trans | -127.9 | 105 | 165.4 | -116.7 | 179.4 | 176.8 | 168.5 | -0.9 | 108.6 | R5 | R3-R5 PolarHBondContact O-N 2.92Š| ||
| 4 | K | 28.8 | Very low | 31.5 | Very low | 218 Ų | 218 | 159.6 Ų | 159.6 | 95% | 0.948 | 73% | 0.725 | S | S | * | * | trans | -58.6 | 123.3 | 167.7 | -88.1 | -177.7 | 169.5 | -179 | 0 | 108 | ||||
| 5 | R | 28.3 | Very low | 32.5 | Very low | 238 Ų | 238 | 153.7 Ų | 153.7 | 90% | 0.898 | 70% | 0.698 | S | S | * | * | trans | -110.7 | 134.6 | 156.7 | -82.5 | -175.4 | 164.7 | 173.8 | -5.5 | 107.1 | R3 | R3-R5 PolarHBondContact O-N 2.92Š| ||
| 6 | R | 24.9 | Very low | 33.6 | Very low | 228 Ų | 228 | 149.6 Ų | 149.6 | 86% | 0.86 | 68% | 0.675 | S | S | * | * | trans | -74.2 | 143.9 | 169.1 | -68.6 | 173.8 | 172.3 | 161.6 | -5.8 | 108 | ||||
| 7 | S | 30.2 | Very low | 34.4 | Very low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | trans | -125.1 | 137.2 | 162.1 | 48.9 | 0 | 0 | 0 | 0 | 106.6 | S9 | S7-S9 PolarHBondContact O-N 3.11Å; S7-S9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | D | 28.3 | Very low | 35.3 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -82.5 | 98.2 | -171.6 | -53.3 | -72.1 | 0 | 0 | 0 | 110.7 | F10 | D8-F10 HydrophobicContact CB-CD2 4.2Å; D8-F10 WeakPolarHBondContact OD1-CE2 3.12Å |
| 9 | S | 32 | Very low | 36.3 | Very low | 57 Ų | 57 | 133.5 Ų | 133.5 | 40% | 0.399 | 60% | 0.604 | S | S | . | * | trans | -132.4 | 41.3 | 173.1 | 51.4 | 0 | 0 | 0 | 0 | 110.4 | S7 D11 D13 | S7-S9 PolarHBondContact O-N 3.11Å; S7-S9 VanDerWaalsContact O-N 3.15Å; S9-D11 VanDerWaalsContact C-N 3.35Å; S9-D11 PolarHBondContact O-N 3.17Å; S9-D11 VanDerWaalsContact O-N 3.16Å; S9-D13 WeakPolarHBondContact CB-OD2 3.21Å; S9-D13 PolarHBondContact OG-OD2 2.85Å | ||
| 10 | F | 30.2 | Very low | 37 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 58% | 0.583 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.9 | -12.5 | -152.7 | -93.1 | -73.4 | 0 | 0 | 0 | 117.7 | D8 | D8-F10 HydrophobicContact CB-CD2 4.2Å; D8-F10 WeakPolarHBondContact OD1-CE2 3.12Å |
| 11 | D | 40.4 | Very low | 37.4 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 71% | 0.706 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -57.1 | -178.4 | -62.6 | -58.8 | 0 | 0 | 0 | 113.3 | S9 D13 D14 F15 | S9-D11 VanDerWaalsContact C-N 3.35Å; S9-D11 PolarHBondContact O-N 3.17Å; S9-D11 VanDerWaalsContact O-N 3.16Å; D11-D13 PolarHBondContact O-N 3.25Å; D11-D14 PolarHBondContact O-N 2.99Å; D11-F15 VanDerWaalsContact O-CD2 3.28Å; D11-F15 WeakPolarHBondContact O-CD2 3.36Å; D11-F15 PolarHBondContact O-N 2.85Å |
| 12 | E | 37.4 | Very low | 38.5 | Very low | 97 Ų | 97 | 127 Ų | 127 | 45% | 0.453 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62.8 | -40.2 | -177.7 | -81 | -161.6 | -177.1 | 0 | 0 | 113.6 | D14 F15 R16 | E12-D14 VanDerWaalsContact C-N 3.29Å; E12-D14 PolarHBondContact O-N 2.87Å; E12-F15 PolarHBondContact O-N 3.36Å; E12-R16 PolarHBondContact O-N 3.21Å; E12-R16 IonicContact OE2-NH1 2.66Å |
| 13 | D | 38.7 | Very low | 39.7 | Very low | 80 Ų | 80 | 117.8 Ų | 117.8 | 43% | 0.428 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -69.4 | -26.5 | -176.4 | -76.4 | -41.1 | 0 | 0 | 0 | 112.4 | S9 D11 A17 | S9-D13 WeakPolarHBondContact CB-OD2 3.21Å; S9-D13 PolarHBondContact OG-OD2 2.85Å; D11-D13 PolarHBondContact O-N 3.25Å; D13-A17 WeakPolarHBondContact O-CB 3.47Å; D13-A17 PolarHBondContact O-N 2.68Å |
| 14 | D | 41.6 | Very low | 41 | Very low | 71 Ų | 71 | 111 Ų | 111 | 38% | 0.38 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -78.3 | -36.8 | 179.3 | -153.4 | 61.6 | 0 | 0 | 0 | 111.7 | D11 E12 R16 A17 K18 | D11-D14 PolarHBondContact O-N 2.99Å; E12-D14 VanDerWaalsContact C-N 3.29Å; E12-D14 PolarHBondContact O-N 2.87Å; D14-R16 VanDerWaalsContact C-N 3.29Å; D14-R16 PolarHBondContact O-N 3.02Å; D14-A17 PolarHBondContact O-N 3.06Å; D14-K18 WeakPolarHBondContact O-CB 3.44Å; D14-K18 WeakPolarHBondContact O-CG 3.23Å; D14-K18 PolarHBondContact O-N 3.16Å; D14-K18 WeakPolarHBondContact OD2-CE 3.17Å; D14-K18 IonicContact OD2-NZ 3.13Å |
| 15 | F | 46.7 | Very low | 42.9 | Very low | 71 Ų | 71 | 106.2 Ų | 106.2 | 31% | 0.311 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -59.5 | -39.5 | 168.9 | -77.3 | -73.2 | 0 | 0 | 0 | 112.3 | D11 E12 R19 N70 N74 | D11-F15 VanDerWaalsContact O-CD2 3.28Å; D11-F15 WeakPolarHBondContact O-CD2 3.36Å; D11-F15 PolarHBondContact O-N 2.85Å; E12-F15 PolarHBondContact O-N 3.36Å; F15-R19 PolarHBondContact O-N 3.03Å; F15-N70 HydrophobicContact CE1-CB 4.3Å; F15-N74 WeakPolarHBondContact CE1-ND2 3.35Å |
| 16 | R | 50.3 | Low | 45.6 | Very low | 88 Ų | 88 | 97.9 Ų | 97.9 | 33% | 0.332 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.7 | -44.5 | 174.5 | -73 | 173.5 | 168 | 154.3 | -0.5 | 111.5 | E12 D14 K18 R19 | E12-R16 PolarHBondContact O-N 3.21Å; E12-R16 IonicContact OE2-NH1 2.66Å; D14-R16 VanDerWaalsContact C-N 3.29Å; D14-R16 PolarHBondContact O-N 3.02Å; R16-K18 PolarHBondContact O-N 2.59Å; R16-R19 PolarHBondContact O-N 3.34Å |
| 17 | A | 45.9 | Very low | 48.5 | Very low | 21 Ų | 21 | 88.4 Ų | 88.4 | 17% | 0.174 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.3 | -39.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | D13 D14 R19 D20 R21 | D13-A17 WeakPolarHBondContact O-CB 3.47Å; D13-A17 PolarHBondContact O-N 2.68Å; D14-A17 PolarHBondContact O-N 3.06Å; A17-R19 VanDerWaalsContact C-N 3.32Å; A17-R19 PolarHBondContact O-N 2.98Å; A17-D20 PolarHBondContact O-N 3.28Å; A17-R21 WeakPolarHBondContact O-CG 3.43Å; A17-R21 PolarHBondContact O-N 3Å |
| 18 | K | 51.2 | Low | 51.3 | Low | 65 Ų | 65 | 87 Ų | 87 | 28% | 0.283 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -66.4 | -27.1 | 178.2 | -75.8 | 177.6 | 173.9 | -171.2 | 0 | 114.1 | D14 R16 D20 E28 | D14-K18 WeakPolarHBondContact O-CB 3.44Å; D14-K18 WeakPolarHBondContact O-CG 3.23Å; D14-K18 PolarHBondContact O-N 3.16Å; D14-K18 WeakPolarHBondContact OD2-CE 3.17Å; D14-K18 IonicContact OD2-NZ 3.13Å; R16-K18 PolarHBondContact O-N 2.59Å; K18-D20 VanDerWaalsContact C-N 3.3Å; K18-D20 PolarHBondContact O-N 2.93Å; K18-E28 IonicContact NZ-OE1 2.72Å; K18-E28 PolarHBondContact NZ-OE1 2.78Å; K18-E28 IonicContact NZ-OE2 3.68Å |
| 19 | R | 54.3 | Low | 54.1 | Low | 58 Ų | 58 | 81.1 Ų | 81.1 | 22% | 0.219 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.6 | -24.5 | 176.8 | -108.9 | 178.9 | 166.7 | 131.2 | -7.3 | 113.1 | F15 R16 A17 N74 E77 F346 | F15-R19 PolarHBondContact O-N 3.03Å; R16-R19 PolarHBondContact O-N 3.34Å; A17-R19 VanDerWaalsContact C-N 3.32Å; A17-R19 PolarHBondContact O-N 2.98Å; R19-N74 PolarHBondContact NH1-O 2.88Å; R19-N74 VanDerWaalsContact NH1-O 3.08Å; R19-N74 PolarHBondContact NH2-O 3.26Å; R19-N74 VanDerWaalsContact NH2-O 3.14Å; R19-E77 IonicContact CZ-OE1 2.77Å; R19-E77 IonicContact NH2-OE1 3.11Å; R19-E77 PolarHBondContact NH2-OE1 3.42Å; R19-E77 IonicContact NH2-OE2 3.65Å; R19-E77 PolarHBondContact NH2-OE2 3.03Å; R19-F346 HydrophobicContact CB-CZ 4.49Å |
| 20 | D | 50.2 | Low | 56.9 | Low | 92 Ų | 92 | 81.1 Ų | 81.1 | 49% | 0.492 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -122.6 | -5.8 | -164.1 | -153.2 | 21.4 | 0 | 0 | 0 | 115 | A17 K18 M350 | A17-D20 PolarHBondContact O-N 3.28Å; K18-D20 VanDerWaalsContact C-N 3.3Å; K18-D20 PolarHBondContact O-N 2.93Å; D20-M350 VanDerWaalsContact OD1-CE 3.24Å; D20-M350 WeakPolarHBondContact OD1-CE 3.24Å |
| 21 | R | 46.1 | Very low | 59.8 | Low | 136 Ų | 136 | 74.8 Ų | 74.8 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | trans | -91.8 | 144.7 | -178.5 | -76.3 | 176.6 | -177.1 | 155.2 | 9.1 | 114.2 | A17 E23 | A17-R21 WeakPolarHBondContact O-CG 3.43Å; A17-R21 PolarHBondContact O-N 3Å; R21-E23 HydrophobicContact CB-CG 3.94Å; R21-E23 WeakPolarHBondContact CD-OE1 3.48Å; R21-E23 IonicContact CZ-OE1 2.7Å; R21-E23 IonicContact NH1-OE1 2.73Å; R21-E23 PolarHBondContact NH1-OE1 2.72Å; R21-E23 VanDerWaalsContact NH1-OE1 3.1Å; R21-E23 PolarHBondContact O-N 2.67Å | ||
| 22 | T | 49.6 | Very low | 62.2 | Low | 152 Ų | 152 | 69.4 Ų | 69.4 | 93% | 0.933 | 35% | 0.352 | S | S | * | . | trans | -75.1 | 60.7 | 158.3 | 58 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 23 | E | 49.9 | Very low | 64.5 | Low | 65 Ų | 65 | 69.4 Ų | 69.4 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | trans | -69.2 | 156.4 | 164.5 | -81.7 | 171.4 | -162.4 | 0 | 0 | 109.5 | R21 | R21-E23 HydrophobicContact CB-CG 3.94Å; R21-E23 WeakPolarHBondContact CD-OE1 3.48Å; R21-E23 IonicContact CZ-OE1 2.7Å; R21-E23 IonicContact NH1-OE1 2.73Å; R21-E23 PolarHBondContact NH1-OE1 2.72Å; R21-E23 VanDerWaalsContact NH1-OE1 3.1Å; R21-E23 PolarHBondContact O-N 2.67Å | ||
| 24 | P | 56.9 | Low | 66.9 | Low | 99 Ų | 99 | 66.3 Ų | 66.3 | 64% | 0.643 | 33% | 0.331 | S | S | * | . | trans | -56.5 | 154 | 176.4 | 24.8 | -34.9 | 0 | 0 | 0 | 110.7 | T26 S29 | P24-T26 HydrophobicContact CG-CG2 4.37Å; P24-T26 PolarHBondContact O-N 2.98Å; P24-S29 PolarHBondContact O-OG 3.45Å | ||
| 25 | D | 68.2 | Low | 68.9 | Low | 117 Ų | 117 | 63.7 Ų | 63.7 | 63% | 0.626 | 32% | 0.321 | S | S | * | . | trans | -69.6 | 63.7 | -175.9 | -63.6 | -63.6 | 0 | 0 | 0 | 113.5 | R33 | D25-R33 IonicContact OD1-CZ 3.65Å; D25-R33 IonicContact OD1-NH1 3.72Å; D25-R33 PolarHBondContact OD1-NH1 2.92Å; D25-R33 IonicContact OD1-NH2 2.64Å; D25-R33 PolarHBondContact OD1-NH2 3.3Å | ||
| 26 | T | 84.9 | Confident | 70.3 | Confident | 64 Ų | 64 | 63.1 Ų | 63.1 | 39% | 0.393 | 32% | 0.319 | S | S | . | . | trans | -68.9 | 151.5 | 169.2 | 64.1 | 0 | 0 | 0 | 0 | 109.8 | P24 E28 S29 L30 | P24-T26 HydrophobicContact CG-CG2 4.37Å; P24-T26 PolarHBondContact O-N 2.98Å; T26-E28 PolarHBondContact O-N 2.72Å; T26-S29 PolarHBondContact N-OG 3.08Å; T26-S29 PolarHBondContact O-N 3.23Å; T26-S29 PolarHBondContact O-OG 3.28Å; T26-S29 WeakPolarHBondContact OG1-CB 3.37Å; T26-S29 PolarHBondContact OG1-N 3.5Å; T26-S29 VanDerWaalsContact OG1-N 3.11Å; T26-S29 PolarHBondContact OG1-OG 2.84Å; T26-L30 PolarHBondContact O-N 3.17Å | ||
| 27 | I | 86.3 | Confident | 71.2 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 14% | 0.144 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.9 | -33.3 | 178.9 | -56.5 | 175.7 | 0 | 0 | 0 | 110.8 | L30 I31 L49 V52 I53 D56 L64 | I27-L30 PolarHBondContact O-N 2.99Å; I27-I31 HydrophobicContact CG2-CD1 4.09Å; I27-I31 WeakPolarHBondContact O-CD1 3.22Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.37Å; I27-I31 PolarHBondContact O-N 3.24Å; I27-L49 HydrophobicContact CG2-CD1 4.48Å; I27-V52 HydrophobicContact CD1-CG1 3.69Å; I27-V52 HydrophobicContact CG1-CG1 3.72Å; I27-V52 HydrophobicContact CG2-CG1 4.44Å; I27-I53 HydrophobicContact CG2-CG1 3.64Å; I27-D56 HydrophobicContact CD1-CB 3.34Å; I27-L64 HydrophobicContact CB-CD2 4.31Å; I27-L64 HydrophobicContact CG2-CD2 3.71Å |
| 28 | E | 89.2 | Confident | 72.5 | Confident | 63 Ų | 63 | 70.5 Ų | 70.5 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -56.6 | -52.2 | 169.3 | 178.3 | 174.9 | 174.9 | 0 | 0 | 111.8 | K18 T26 L30 I31 Y32 V67 | K18-E28 IonicContact NZ-OE1 2.72Å; K18-E28 PolarHBondContact NZ-OE1 2.78Å; K18-E28 IonicContact NZ-OE2 3.68Å; T26-E28 PolarHBondContact O-N 2.72Å; E28-L30 VanDerWaalsContact C-N 3.26Å; E28-L30 PolarHBondContact O-N 2.66Å; E28-I31 PolarHBondContact O-N 2.94Å; E28-Y32 HydrophobicContact CG-CD2 3.76Å; E28-Y32 HydrophobicContact CG-CE2 3.59Å; E28-Y32 VanDerWaalsContact O-CD2 3.29Å; E28-Y32 WeakPolarHBondContact O-CD2 3.49Å; E28-Y32 PolarHBondContact O-N 2.95Å; E28-V67 HydrophobicContact CB-CG2 4.11Å; E28-V67 HydrophobicContact CG-CG1 4.12Å; E28-V67 HydrophobicContact CG-CG2 3.7Å |
| 29 | S | 86.6 | Confident | 74 | Confident | 15 Ų | 15 | 69.4 Ų | 69.4 | 11% | 0.105 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.5 | -28.8 | 179.1 | 75 | 0 | 0 | 0 | 0 | 113.1 | P24 T26 R33 | P24-S29 PolarHBondContact O-OG 3.45Å; T26-S29 PolarHBondContact N-OG 3.08Å; T26-S29 PolarHBondContact O-N 3.23Å; T26-S29 PolarHBondContact O-OG 3.28Å; T26-S29 WeakPolarHBondContact OG1-CB 3.37Å; T26-S29 PolarHBondContact OG1-N 3.5Å; T26-S29 VanDerWaalsContact OG1-N 3.11Å; T26-S29 PolarHBondContact OG1-OG 2.84Å; S29-R33 VanDerWaalsContact O-CB 3.24Å; S29-R33 WeakPolarHBondContact O-CB 3.35Å; S29-R33 WeakPolarHBondContact O-CG 3.36Å; S29-R33 PolarHBondContact O-N 2.93Å; S29-R33 PolarHBondContact O-NE 3.49Å; S29-R33 PolarHBondContact OG-NH2 2.93Å |
| 30 | L | 90.2 | Very high | 75.4 | Confident | 56 Ų | 56 | 70.9 Ų | 70.9 | 29% | 0.293 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -72.8 | -42 | 175.7 | -68.3 | 169.8 | 0 | 0 | 0 | 111.1 | T26 I27 E28 Y32 R33 I34 L49 | T26-L30 PolarHBondContact O-N 3.17Å; I27-L30 PolarHBondContact O-N 2.99Å; E28-L30 VanDerWaalsContact C-N 3.26Å; E28-L30 PolarHBondContact O-N 2.66Å; L30-Y32 VanDerWaalsContact C-N 3.34Å; L30-Y32 PolarHBondContact O-N 2.79Å; L30-R33 PolarHBondContact O-N 2.9Å; L30-I34 PolarHBondContact O-N 2.98Å; L30-L49 HydrophobicContact CB-CD1 3.81Å |
| 31 | I | 92.3 | Very high | 77.2 | Confident | 0 Ų | 0 | 69.3 Ų | 69.3 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 173.7 | -62.7 | 162.2 | 0 | 0 | 0 | 111 | I27 E28 I34 L49 I53 L64 V67 L68 C71 Y82 | I27-I31 HydrophobicContact CG2-CD1 4.09Å; I27-I31 WeakPolarHBondContact O-CD1 3.22Å; I27-I31 VanDerWaalsContact O-CG1 3.25Å; I27-I31 WeakPolarHBondContact O-CG1 3.37Å; I27-I31 PolarHBondContact O-N 3.24Å; E28-I31 PolarHBondContact O-N 2.94Å; I31-I34 WeakPolarHBondContact O-CG2 3.4Å; I31-L49 HydrophobicContact CG1-CD1 4.34Å; I31-L49 HydrophobicContact CG1-CD2 4.09Å; I31-I53 HydrophobicContact CD1-CD1 3.88Å; I31-I53 HydrophobicContact CD1-CG1 4.27Å; I31-I53 HydrophobicContact CG1-CD1 3.89Å; I31-L64 HydrophobicContact CD1-CD2 4.14Å; I31-V67 HydrophobicContact CB-CG1 4.17Å; I31-V67 HydrophobicContact CD1-CG1 3.92Å; I31-V67 HydrophobicContact CG2-CG1 4.07Å; I31-L68 HydrophobicContact CD1-CD2 4.34Å; I31-L68 HydrophobicContact CG2-CD2 4Å; I31-C71 VanDerWaalsContact CG2-SG 3.56Å; I31-Y82 HydrophobicContact CG2-CD1 4.48Å; I31-Y82 HydrophobicContact CG2-CE1 3.87Å; I31-Y82 WeakPolarHBondContact O-CE1 3.28Å; I31-Y82 PolarHBondContact O-OH 2.72Å |
| 32 | Y | 89.4 | Confident | 79.4 | Confident | 19 Ų | 19 | 63 Ų | 63 | 8% | 0.075 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74 | -21.8 | 175.8 | -75.5 | -62.6 | 0 | 0 | 0 | 114.4 | E28 L30 V67 C71 V75 R78 | E28-Y32 HydrophobicContact CG-CD2 3.76Å; E28-Y32 HydrophobicContact CG-CE2 3.59Å; E28-Y32 VanDerWaalsContact O-CD2 3.29Å; E28-Y32 WeakPolarHBondContact O-CD2 3.49Å; E28-Y32 PolarHBondContact O-N 2.95Å; L30-Y32 VanDerWaalsContact C-N 3.34Å; L30-Y32 PolarHBondContact O-N 2.79Å; Y32-V67 HydrophobicContact CE2-CG1 4.11Å; Y32-C71 WeakPolarHBondContact CE1-SG 3.48Å; Y32-V75 HydrophobicContact CD1-CG2 4.01Å; Y32-V75 HydrophobicContact CE1-CG2 4.12Å; Y32-R78 PolarHBondContact O-NH1 2.8Å |
| 33 | R | 86.1 | Confident | 81.4 | Confident | 97 Ų | 97 | 60.2 Ų | 60.2 | 37% | 0.366 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -96.5 | -15.9 | -179.5 | -74.8 | 179 | -66.7 | 157 | 0.3 | 114.9 | D25 S29 L30 G35 F36 | D25-R33 IonicContact OD1-CZ 3.65Å; D25-R33 IonicContact OD1-NH1 3.72Å; D25-R33 PolarHBondContact OD1-NH1 2.92Å; D25-R33 IonicContact OD1-NH2 2.64Å; D25-R33 PolarHBondContact OD1-NH2 3.3Å; S29-R33 VanDerWaalsContact O-CB 3.24Å; S29-R33 WeakPolarHBondContact O-CB 3.35Å; S29-R33 WeakPolarHBondContact O-CG 3.36Å; S29-R33 PolarHBondContact O-N 2.93Å; S29-R33 PolarHBondContact O-NE 3.49Å; S29-R33 PolarHBondContact OG-NH2 2.93Å; L30-R33 PolarHBondContact O-N 2.9Å; R33-G35 PolarHBondContact O-N 2.97Å; R33-F36 WeakPolarHBondContact O-CB 3.31Å; R33-F36 PolarHBondContact O-N 3.32Å; R33-F36 VanDerWaalsContact O-N 3.09Å |
| 34 | I | 89.4 | Confident | 83.5 | Confident | 15 Ų | 15 | 63.2 Ų | 63.2 | 8% | 0.077 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 135.1 | -176.2 | -163.7 | 158.4 | 0 | 0 | 0 | 111.8 | L30 I31 F36 I42 I46 L49 R78 I81 Y82 | L30-I34 PolarHBondContact O-N 2.98Å; I31-I34 WeakPolarHBondContact O-CG2 3.4Å; I34-F36 VanDerWaalsContact C-N 3.28Å; I34-F36 PolarHBondContact O-N 3.32Å; I34-I42 HydrophobicContact CD1-CD1 4.39Å; I34-I42 HydrophobicContact CG1-CD1 3.68Å; I34-I46 HydrophobicContact CD1-CB 4.29Å; I34-I46 HydrophobicContact CD1-CG1 3.54Å; I34-I46 HydrophobicContact CG1-CG1 4.27Å; I34-L49 HydrophobicContact CB-CD2 4.15Å; I34-L49 HydrophobicContact CD1-CB 4.05Å; I34-L49 HydrophobicContact CD1-CD2 3.56Å; I34-L49 HydrophobicContact CD1-CG 4.44Å; I34-L49 HydrophobicContact CG1-CD2 4.46Å; I34-L49 HydrophobicContact CG2-CD2 4.26Å; I34-R78 WeakPolarHBondContact O-CD 3.35Å; I34-R78 PolarHBondContact O-NH1 3.18Å; I34-I81 HydrophobicContact CG1-CG2 4.39Å; I34-I81 HydrophobicContact CG2-CG2 3.88Å; I34-Y82 HydrophobicContact CG2-CE1 4.16Å |
| 35 | G | 83.2 | Confident | 85.2 | Confident | 16 Ų | 16 | 60.4 Ų | 60.4 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | 9.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | R33 L39 | R33-G35 PolarHBondContact O-N 2.97Å; G35-L39 WeakPolarHBondContact O-CD2 3.43Å |
| 36 | F | 77.1 | Confident | 86.4 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 26% | 0.263 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -87.1 | -26.3 | -174.4 | -172.8 | -121.5 | 0 | 0 | 0 | 115.7 | R33 I34 L344 M350 | R33-F36 WeakPolarHBondContact O-CB 3.31Å; R33-F36 PolarHBondContact O-N 3.32Å; R33-F36 VanDerWaalsContact O-N 3.09Å; I34-F36 VanDerWaalsContact C-N 3.28Å; I34-F36 PolarHBondContact O-N 3.32Å; F36-L344 HydrophobicContact CE2-CD2 4.4Å; F36-M350 HydrophobicContact CE1-CE 4.24Å; F36-M350 HydrophobicContact CE1-SD 4.31Å; F36-M350 HydrophobicContact CZ-CB 4.37Å; F36-M350 HydrophobicContact CZ-CE 4.22Å; F36-M350 HydrophobicContact CZ-CG 4.11Å; F36-M350 HydrophobicContact CZ-SD 3.7Å |
| 37 | K | 68.7 | Low | 86.9 | Confident | 192 Ų | 192 | 52.9 Ų | 52.9 | 84% | 0.835 | 26% | 0.264 | S | S | * | . | S | Bend | trans | -122.8 | -61.5 | -173.6 | -69.8 | -171.5 | 177.8 | -176.1 | 0 | 113 | ||
| 38 | D | 73.8 | Confident | 87.2 | Confident | 71 Ų | 71 | 56.5 Ų | 56.5 | 38% | 0.38 | 28% | 0.281 | S | S | . | . | trans | -102.6 | 132.8 | 175.1 | -177 | 21.8 | 0 | 0 | 0 | 109.4 | S40 N41 | D38-S40 VanDerWaalsContact OD1-CB 3.28Å; D38-S40 WeakPolarHBondContact OD1-CB 3.43Å; D38-S40 PolarHBondContact OD1-N 3.23Å; D38-S40 PolarHBondContact OD1-OG 2.9Å; D38-S40 PolarHBondContact OD2-OG 2.99Å; D38-N41 PolarHBondContact OD2-ND2 3.15Å | ||
| 39 | L | 82.3 | Confident | 87.5 | Confident | 42 Ų | 42 | 54 Ų | 54 | 22% | 0.22 | 27% | 0.269 | C | S | . | . | trans | -117.9 | 7.8 | 174.6 | -69.1 | 175.6 | 0 | 0 | 0 | 111.7 | G35 I42 W247 K359 | G35-L39 WeakPolarHBondContact O-CD2 3.43Å; L39-I42 HydrophobicContact CD2-CB 4.48Å; L39-I42 HydrophobicContact CD2-CG1 4.28Å; L39-I42 WeakPolarHBondContact O-CG2 3.38Å; L39-W247 HydrophobicContact CD2-CH2 3.88Å; L39-W247 HydrophobicContact CD2-CZ3 4.09Å; L39-K359 HydrophobicContact CB-CD 4.04Å; L39-K359 HydrophobicContact CD1-CD 4.13Å; L39-K359 HydrophobicContact CD1-CG 4.21Å; L39-K359 PolarHBondContact O-NZ 3.28Å | ||
| 40 | S | 83.1 | Confident | 88 | Confident | 89 Ų | 89 | 53.6 Ų | 53.6 | 62% | 0.622 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -82.3 | -40.8 | 176.4 | 68.6 | 0 | 0 | 0 | 0 | 112.2 | D38 | D38-S40 VanDerWaalsContact OD1-CB 3.28Å; D38-S40 WeakPolarHBondContact OD1-CB 3.43Å; D38-S40 PolarHBondContact OD1-N 3.23Å; D38-S40 PolarHBondContact OD1-OG 2.9Å; D38-S40 PolarHBondContact OD2-OG 2.99Å |
| 41 | N | 88.5 | Confident | 88.2 | Confident | 60 Ų | 60 | 54.3 Ų | 54.3 | 32% | 0.321 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -93.6 | 0.2 | 179.8 | -67.7 | -85.8 | 0 | 0 | 0 | 114.7 | D38 E43 R44 D45 | D38-N41 PolarHBondContact OD2-ND2 3.15Å; N41-E43 PolarHBondContact O-N 2.89Å; N41-R44 VanDerWaalsContact CB-NH2 3.32Å; N41-R44 WeakPolarHBondContact O-CA 3.42Å; N41-R44 WeakPolarHBondContact O-CB 3.34Å; N41-R44 PolarHBondContact O-N 3.03Å; N41-R44 PolarHBondContact OD1-NH1 3.41Å; N41-D45 WeakPolarHBondContact CB-OD2 3.15Å; N41-D45 PolarHBondContact O-N 2.92Å; N41-D45 VanDerWaalsContact O-N 3.08Å |
| 42 | I | 91.1 | Very high | 88.4 | Confident | 4 Ų | 4 | 57 Ų | 57 | 2% | 0.021 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -52.8 | -30.3 | -166 | -171.5 | 57.7 | 0 | 0 | 0 | 115.7 | I34 L39 D45 I46 W247 L249 | I34-I42 HydrophobicContact CD1-CD1 4.39Å; I34-I42 HydrophobicContact CG1-CD1 3.68Å; L39-I42 HydrophobicContact CD2-CB 4.48Å; L39-I42 HydrophobicContact CD2-CG1 4.28Å; L39-I42 WeakPolarHBondContact O-CG2 3.38Å; I42-D45 PolarHBondContact O-N 3.42Å; I42-I46 HydrophobicContact CD1-CD1 4.16Å; I42-I46 HydrophobicContact CD1-CG1 4.08Å; I42-I46 HydrophobicContact CG1-CD1 3.96Å; I42-I46 HydrophobicContact CG1-CG1 4.34Å; I42-I46 WeakPolarHBondContact O-CB 3.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.28Å; I42-I46 PolarHBondContact O-N 3.13Å; I42-W247 HydrophobicContact CB-CH2 4.45Å; I42-W247 HydrophobicContact CG1-CH2 4.09Å; I42-W247 HydrophobicContact CG2-CH2 3.68Å; I42-W247 HydrophobicContact CG2-CZ2 3.64Å; I42-L249 HydrophobicContact CG1-CD2 4.19Å; I42-L249 HydrophobicContact CG2-CD1 4.43Å |
| 43 | E | 92.5 | Very high | 88.7 | Confident | 93 Ų | 93 | 56.1 Ų | 56.1 | 44% | 0.435 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.3 | -45.4 | 175.2 | -64 | 175.5 | 164.3 | 0 | 0 | 111.8 | N41 G47 L249 S252 F253 | N41-E43 PolarHBondContact O-N 2.89Å; E43-G47 PolarHBondContact O-N 3.38Å; E43-L249 HydrophobicContact CG-CD1 3.79Å; E43-S252 WeakPolarHBondContact OE1-CB 3.28Å; E43-S252 PolarHBondContact OE1-OG 3.49Å; E43-F253 HydrophobicContact CB-CZ 4.2Å; E43-F253 WeakPolarHBondContact O-CZ 3.23Å |
| 44 | R | 93.3 | Very high | 89.1 | Confident | 127 Ų | 127 | 53.6 Ų | 53.6 | 48% | 0.479 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 172.4 | -176.8 | -162.8 | 68.2 | -143.6 | -6.7 | 110 | N41 I46 G47 E48 | N41-R44 VanDerWaalsContact CB-NH2 3.32Å; N41-R44 WeakPolarHBondContact O-CA 3.42Å; N41-R44 WeakPolarHBondContact O-CB 3.34Å; N41-R44 PolarHBondContact O-N 3.03Å; N41-R44 PolarHBondContact OD1-NH1 3.41Å; R44-I46 VanDerWaalsContact C-N 3.26Å; R44-I46 PolarHBondContact O-N 3.38Å; R44-G47 WeakPolarHBondContact O-CA 3.37Å; R44-G47 PolarHBondContact O-N 2.94Å; R44-E48 WeakPolarHBondContact CD-OE1 3.5Å; R44-E48 HydrophobicContact CG-CG 4.22Å; R44-E48 VanDerWaalsContact CG-OE1 3.24Å; R44-E48 WeakPolarHBondContact CG-OE1 3.21Å; R44-E48 IonicContact NE-OE1 2.85Å; R44-E48 PolarHBondContact NE-OE1 3.29Å; R44-E48 PolarHBondContact O-N 2.89Å |
| 45 | D | 93.2 | Very high | 89.4 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 21% | 0.214 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -63.6 | -32.9 | -173.7 | -53.2 | -25.7 | 0 | 0 | 0 | 111.9 | N41 I42 L49 | N41-D45 WeakPolarHBondContact CB-OD2 3.15Å; N41-D45 PolarHBondContact O-N 2.92Å; N41-D45 VanDerWaalsContact O-N 3.08Å; I42-D45 PolarHBondContact O-N 3.42Å; D45-L49 VanDerWaalsContact O-CB 3.28Å; D45-L49 WeakPolarHBondContact O-CB 3.41Å; D45-L49 PolarHBondContact O-N 3.09Å |
| 46 | I | 94.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.8 | -43.7 | 170.7 | -74.6 | 170.2 | 0 | 0 | 0 | 111.6 | I34 I42 R44 L49 A50 I81 T84 L85 L88 L249 F253 | I34-I46 HydrophobicContact CD1-CB 4.29Å; I34-I46 HydrophobicContact CD1-CG1 3.54Å; I34-I46 HydrophobicContact CG1-CG1 4.27Å; I42-I46 HydrophobicContact CD1-CD1 4.16Å; I42-I46 HydrophobicContact CD1-CG1 4.08Å; I42-I46 HydrophobicContact CG1-CD1 3.96Å; I42-I46 HydrophobicContact CG1-CG1 4.34Å; I42-I46 WeakPolarHBondContact O-CB 3.23Å; I42-I46 WeakPolarHBondContact O-CG1 3.28Å; I42-I46 PolarHBondContact O-N 3.13Å; R44-I46 VanDerWaalsContact C-N 3.26Å; R44-I46 PolarHBondContact O-N 3.38Å; I46-L49 PolarHBondContact O-N 2.94Å; I46-A50 VanDerWaalsContact O-CB 3.32Å; I46-A50 WeakPolarHBondContact O-CB 3.3Å; I46-A50 PolarHBondContact O-N 3.07Å; I46-I81 HydrophobicContact CD1-CB 4.47Å; I46-I81 HydrophobicContact CD1-CG1 4.47Å; I46-I81 HydrophobicContact CD1-CG2 3.81Å; I46-I81 HydrophobicContact CG1-CG2 4.13Å; I46-T84 HydrophobicContact CG2-CG2 4.45Å; I46-L85 HydrophobicContact CG2-CB 4.41Å; I46-L85 HydrophobicContact CG2-CD1 4.35Å; I46-L88 HydrophobicContact CG2-CD1 3.63Å; I46-L249 HydrophobicContact CD1-CD2 3.35Å; I46-L249 HydrophobicContact CD1-CG 4.12Å; I46-F253 HydrophobicContact CB-CZ 4.48Å; I46-F253 HydrophobicContact CG2-CZ 4.22Å |
| 47 | G | 94.1 | Very high | 90.8 | Very high | 23 Ų | 23 | 56 Ų | 56 | 24% | 0.237 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.9 | -37.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | E43 R44 S51 | E43-G47 PolarHBondContact O-N 3.38Å; R44-G47 WeakPolarHBondContact O-CA 3.37Å; R44-G47 PolarHBondContact O-N 2.94Å; G47-S51 PolarHBondContact O-N 3.43Å; G47-S51 VanDerWaalsContact O-N 3.12Å; G47-S51 PolarHBondContact O-OG 2.8Å |
| 48 | E | 94.1 | Very high | 91.9 | Very high | 105 Ų | 105 | 52.3 Ų | 52.3 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.5 | -47.7 | 173.3 | -72.2 | 178.7 | -172.9 | 0 | 0 | 111 | R44 A50 S51 V52 | R44-E48 WeakPolarHBondContact CD-OE1 3.5Å; R44-E48 HydrophobicContact CG-CG 4.22Å; R44-E48 VanDerWaalsContact CG-OE1 3.24Å; R44-E48 WeakPolarHBondContact CG-OE1 3.21Å; R44-E48 IonicContact NE-OE1 2.85Å; R44-E48 PolarHBondContact NE-OE1 3.29Å; R44-E48 PolarHBondContact O-N 2.89Å; E48-A50 PolarHBondContact O-N 3.4Å; E48-S51 WeakPolarHBondContact O-CB 3.15Å; E48-S51 PolarHBondContact O-N 2.7Å; E48-S51 VanDerWaalsContact O-N 3.11Å; E48-V52 WeakPolarHBondContact O-CG2 3.31Å; E48-V52 PolarHBondContact O-N 3.36Å |
| 49 | L | 94.9 | Very high | 92.8 | Very high | 11 Ų | 11 | 56.3 Ų | 56.3 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.7 | -178.5 | 59.3 | 0 | 0 | 0 | 112.3 | I27 L30 I31 I34 D45 I46 S51 V52 I53 L85 | I27-L49 HydrophobicContact CG2-CD1 4.48Å; L30-L49 HydrophobicContact CB-CD1 3.81Å; I31-L49 HydrophobicContact CG1-CD1 4.34Å; I31-L49 HydrophobicContact CG1-CD2 4.09Å; I34-L49 HydrophobicContact CB-CD2 4.15Å; I34-L49 HydrophobicContact CD1-CB 4.05Å; I34-L49 HydrophobicContact CD1-CD2 3.56Å; I34-L49 HydrophobicContact CD1-CG 4.44Å; I34-L49 HydrophobicContact CG1-CD2 4.46Å; I34-L49 HydrophobicContact CG2-CD2 4.26Å; D45-L49 VanDerWaalsContact O-CB 3.28Å; D45-L49 WeakPolarHBondContact O-CB 3.41Å; D45-L49 PolarHBondContact O-N 3.09Å; I46-L49 PolarHBondContact O-N 2.94Å; L49-S51 VanDerWaalsContact C-N 3.27Å; L49-S51 PolarHBondContact O-N 3.03Å; L49-V52 PolarHBondContact O-N 2.97Å; L49-I53 HydrophobicContact CD1-CD1 4.07Å; L49-I53 HydrophobicContact CD1-CG1 4.11Å; L49-I53 HydrophobicContact CD2-CD1 4.46Å; L49-I53 HydrophobicContact CG-CD1 3.84Å; L49-I53 HydrophobicContact CG-CG1 4.36Å; L49-I53 WeakPolarHBondContact O-CB 3.37Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.23Å; L49-I53 PolarHBondContact O-N 2.87Å; L49-L85 HydrophobicContact CB-CD1 4.44Å; L49-L85 HydrophobicContact CD2-CD1 4.5Å; L49-L85 HydrophobicContact CD2-CD2 3.96Å; L49-L85 HydrophobicContact CG-CD1 4.32Å; L49-L85 HydrophobicContact CG-CD2 4.49Å |
| 50 | A | 96 | Very high | 93.3 | Very high | 5 Ų | 5 | 58.1 Ų | 58.1 | 4% | 0.041 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -56.9 | -44.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | I46 E48 I53 L54 L85 L88 L89 | I46-A50 VanDerWaalsContact O-CB 3.32Å; I46-A50 WeakPolarHBondContact O-CB 3.3Å; I46-A50 PolarHBondContact O-N 3.07Å; E48-A50 PolarHBondContact O-N 3.4Å; A50-I53 PolarHBondContact O-N 2.88Å; A50-L54 WeakPolarHBondContact O-CB 3.31Å; A50-L54 WeakPolarHBondContact O-CD1 3.34Å; A50-L54 WeakPolarHBondContact O-CG 3.47Å; A50-L54 PolarHBondContact O-N 2.84Å; A50-L85 HydrophobicContact CB-CD1 3.84Å; A50-L88 HydrophobicContact CB-CB 4.05Å; A50-L88 HydrophobicContact CB-CD1 4.48Å; A50-L89 HydrophobicContact CB-CD2 4.25Å; A50-L89 WeakPolarHBondContact O-CD2 3.31Å |
| 51 | S | 95.5 | Very high | 93.8 | Very high | 71 Ų | 71 | 54.7 Ų | 54.7 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 178.1 | -57 | 0 | 0 | 0 | 0 | 112.1 | G47 E48 L49 L54 T55 | G47-S51 PolarHBondContact O-N 3.43Å; G47-S51 VanDerWaalsContact O-N 3.12Å; G47-S51 PolarHBondContact O-OG 2.8Å; E48-S51 WeakPolarHBondContact O-CB 3.15Å; E48-S51 PolarHBondContact O-N 2.7Å; E48-S51 VanDerWaalsContact O-N 3.11Å; L49-S51 VanDerWaalsContact C-N 3.27Å; L49-S51 PolarHBondContact O-N 3.03Å; S51-L54 PolarHBondContact O-N 3.19Å; S51-T55 PolarHBondContact O-N 3.36Å |
| 52 | V | 95 | Very high | 94 | Very high | 57 Ų | 57 | 58.1 Ų | 58.1 | 35% | 0.345 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.7 | -49.9 | 176 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | I27 E48 L49 L54 T55 D56 | I27-V52 HydrophobicContact CD1-CG1 3.69Å; I27-V52 HydrophobicContact CG1-CG1 3.72Å; I27-V52 HydrophobicContact CG2-CG1 4.44Å; E48-V52 WeakPolarHBondContact O-CG2 3.31Å; E48-V52 PolarHBondContact O-N 3.36Å; L49-V52 PolarHBondContact O-N 2.97Å; V52-L54 VanDerWaalsContact C-N 3.32Å; V52-L54 PolarHBondContact O-N 3.39Å; V52-T55 PolarHBondContact O-N 3.38Å; V52-T55 VanDerWaalsContact O-N 3.13Å; V52-T55 PolarHBondContact O-OG1 3.19Å; V52-D56 PolarHBondContact O-N 2.81Å |
| 53 | I | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.6 | -45.8 | 176.8 | -69.5 | 166.7 | 0 | 0 | 0 | 110.7 | I27 I31 L49 A50 T55 D56 I57 L64 L85 L89 | I27-I53 HydrophobicContact CG2-CG1 3.64Å; I31-I53 HydrophobicContact CD1-CD1 3.88Å; I31-I53 HydrophobicContact CD1-CG1 4.27Å; I31-I53 HydrophobicContact CG1-CD1 3.89Å; L49-I53 HydrophobicContact CD1-CD1 4.07Å; L49-I53 HydrophobicContact CD1-CG1 4.11Å; L49-I53 HydrophobicContact CD2-CD1 4.46Å; L49-I53 HydrophobicContact CG-CD1 3.84Å; L49-I53 HydrophobicContact CG-CG1 4.36Å; L49-I53 WeakPolarHBondContact O-CB 3.37Å; L49-I53 VanDerWaalsContact O-CG1 3.3Å; L49-I53 WeakPolarHBondContact O-CG1 3.23Å; L49-I53 PolarHBondContact O-N 2.87Å; A50-I53 PolarHBondContact O-N 2.88Å; I53-T55 PolarHBondContact O-N 3.08Å; I53-D56 PolarHBondContact O-N 2.73Å; I53-I57 HydrophobicContact CG2-CD1 4.22Å; I53-I57 HydrophobicContact CG2-CG1 4.2Å; I53-I57 WeakPolarHBondContact O-CG1 3.39Å; I53-I57 PolarHBondContact O-N 3.06Å; I53-L64 HydrophobicContact CG2-CD1 4.43Å; I53-L85 HydrophobicContact CD1-CD1 4.33Å; I53-L85 HydrophobicContact CD1-CD2 4.14Å; I53-L89 HydrophobicContact CB-CD2 4.01Å; I53-L89 HydrophobicContact CD1-CD1 4.4Å; I53-L89 HydrophobicContact CG2-CD1 3.96Å; I53-L89 HydrophobicContact CG2-CD2 3.74Å |
| 54 | L | 95.9 | Very high | 94.3 | Very high | 44 Ų | 44 | 54.7 Ų | 54.7 | 23% | 0.23 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58 | -33.2 | 179.3 | -73.7 | 162.8 | 0 | 0 | 0 | 113.2 | A50 S51 V52 D56 I57 L89 K92 N93 | A50-L54 WeakPolarHBondContact O-CB 3.31Å; A50-L54 WeakPolarHBondContact O-CD1 3.34Å; A50-L54 WeakPolarHBondContact O-CG 3.47Å; A50-L54 PolarHBondContact O-N 2.84Å; S51-L54 PolarHBondContact O-N 3.19Å; V52-L54 VanDerWaalsContact C-N 3.32Å; V52-L54 PolarHBondContact O-N 3.39Å; L54-D56 VanDerWaalsContact C-N 3.33Å; L54-I57 HydrophobicContact CD2-CD1 4.14Å; L54-L89 HydrophobicContact CD1-CD2 4.31Å; L54-L89 HydrophobicContact CD2-CD2 4.07Å; L54-L89 HydrophobicContact CG-CD2 3.73Å; L54-K92 HydrophobicContact CD1-CB 3.53Å; L54-K92 HydrophobicContact CD1-CG 3.7Å; L54-K92 HydrophobicContact CD2-CB 3.72Å; L54-K92 HydrophobicContact CG-CB 4.3Å; L54-N93 HydrophobicContact CD2-CB 3.74Å |
| 55 | T | 95.2 | Very high | 94.5 | Very high | 97 Ų | 97 | 49.4 Ų | 49.4 | 60% | 0.595 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -76.6 | -14.4 | 175.8 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | S51 V52 I53 | S51-T55 PolarHBondContact O-N 3.36Å; V52-T55 PolarHBondContact O-N 3.38Å; V52-T55 VanDerWaalsContact O-N 3.13Å; V52-T55 PolarHBondContact O-OG1 3.19Å; I53-T55 PolarHBondContact O-N 3.08Å |
| 56 | D | 94.5 | Very high | 94.6 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -111.4 | -15.8 | -175.9 | -154.4 | 62.8 | 0 | 0 | 0 | 114.5 | I27 V52 I53 L54 P58 K59 N60 L64 | I27-D56 HydrophobicContact CD1-CB 3.34Å; V52-D56 PolarHBondContact O-N 2.81Å; I53-D56 PolarHBondContact O-N 2.73Å; L54-D56 VanDerWaalsContact C-N 3.33Å; D56-P58 VanDerWaalsContact O-N 3.15Å; D56-K59 WeakPolarHBondContact O-CA 3.45Å; D56-K59 PolarHBondContact O-N 2.7Å; D56-K59 WeakPolarHBondContact OD1-CD 3.44Å; D56-K59 IonicContact OD1-NZ 3.15Å; D56-K59 PolarHBondContact OD1-NZ 3.36Å; D56-N60 PolarHBondContact O-N 3.06Å; D56-N60 WeakPolarHBondContact OD2-CB 3.28Å; D56-L64 HydrophobicContact CB-CD1 4.25Å |
| 57 | I | 94.3 | Very high | 94.6 | Very high | 22 Ų | 22 | 53.2 Ų | 53.2 | 11% | 0.113 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -45.3 | -42.7 | 168.9 | -71.1 | 165.7 | 0 | 0 | 0 | 112.9 | I53 L54 K59 G61 L64 F96 | I53-I57 HydrophobicContact CG2-CD1 4.22Å; I53-I57 HydrophobicContact CG2-CG1 4.2Å; I53-I57 WeakPolarHBondContact O-CG1 3.39Å; I53-I57 PolarHBondContact O-N 3.06Å; L54-I57 HydrophobicContact CD2-CD1 4.14Å; I57-K59 PolarHBondContact O-N 2.95Å; I57-G61 WeakPolarHBondContact O-CA 3.47Å; I57-G61 PolarHBondContact O-N 2.92Å; I57-L64 HydrophobicContact CG1-CD1 4.16Å; I57-F96 HydrophobicContact CB-CD2 4.38Å; I57-F96 HydrophobicContact CD1-CB 3.94Å; I57-F96 HydrophobicContact CD1-CD1 3.65Å; I57-F96 HydrophobicContact CD1-CD2 3.83Å; I57-F96 HydrophobicContact CD1-CE1 4.06Å; I57-F96 HydrophobicContact CD1-CE2 4.21Å; I57-F96 HydrophobicContact CD1-CG 3.52Å; I57-F96 HydrophobicContact CD1-CZ 4.33Å; I57-F96 HydrophobicContact CG1-CD1 4.3Å; I57-F96 HydrophobicContact CG1-CD2 3.72Å; I57-F96 HydrophobicContact CG1-CE1 4.38Å; I57-F96 HydrophobicContact CG1-CE2 3.79Å; I57-F96 HydrophobicContact CG1-CG 3.97Å; I57-F96 HydrophobicContact CG1-CZ 4.13Å; I57-F96 HydrophobicContact CG2-CB 4.31Å; I57-F96 HydrophobicContact CG2-CD2 3.75Å; I57-F96 HydrophobicContact CG2-CE2 4.41Å; I57-F96 HydrophobicContact CG2-CG 4.24Å |
| 58 | P | 93.5 | Very high | 94.7 | Very high | 114 Ų | 114 | 52.3 Ų | 52.3 | 74% | 0.74 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -66.4 | -15.5 | 177.9 | -21.7 | 34.9 | 0 | 0 | 0 | 115.2 | D56 | D56-P58 VanDerWaalsContact O-N 3.15Å |
| 59 | K | 92.5 | Very high | 94.8 | Very high | 155 Ų | 155 | 47.3 Ų | 47.3 | 67% | 0.674 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -105 | -39.4 | -178.8 | -51.9 | -175.3 | -143.1 | 123.5 | 0 | 112.5 | D56 I57 | D56-K59 WeakPolarHBondContact O-CA 3.45Å; D56-K59 PolarHBondContact O-N 2.7Å; D56-K59 WeakPolarHBondContact OD1-CD 3.44Å; D56-K59 IonicContact OD1-NZ 3.15Å; D56-K59 PolarHBondContact OD1-NZ 3.36Å; I57-K59 PolarHBondContact O-N 2.95Å |
| 60 | N | 92.5 | Very high | 94.8 | Very high | 80 Ų | 80 | 48.8 Ų | 48.8 | 43% | 0.428 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -139.1 | 29.7 | -167.6 | -168.6 | 23.1 | 0 | 0 | 0 | 113.1 | D56 E62 G63 L64 | D56-N60 PolarHBondContact O-N 3.06Å; D56-N60 WeakPolarHBondContact OD2-CB 3.28Å; N60-E62 VanDerWaalsContact C-N 3.32Å; N60-E62 PolarHBondContact O-N 2.77Å; N60-G63 PolarHBondContact O-N 3.48Å; N60-G63 VanDerWaalsContact O-N 3.08Å; N60-L64 WeakPolarHBondContact O-CG 3.4Å; N60-L64 PolarHBondContact O-N 2.79Å |
| 61 | G | 92.8 | Very high | 94.7 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -50.2 | -46.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | I57 G63 L64 L65 | I57-G61 WeakPolarHBondContact O-CA 3.47Å; I57-G61 PolarHBondContact O-N 2.92Å; G61-G63 PolarHBondContact O-N 3.26Å; G61-L64 PolarHBondContact O-N 3.18Å; G61-L65 VanDerWaalsContact O-CG 3.31Å; G61-L65 WeakPolarHBondContact O-CG 3.44Å; G61-L65 PolarHBondContact O-N 2.96Å |
| 62 | E | 93.9 | Very high | 94.7 | Very high | 133 Ų | 133 | 45.4 Ų | 45.4 | 62% | 0.621 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -65.1 | -36.6 | 179.7 | -161.6 | -165.7 | 142.5 | 0 | 0 | 113 | N60 K66 | N60-E62 VanDerWaalsContact C-N 3.32Å; N60-E62 PolarHBondContact O-N 2.77Å; E62-K66 WeakPolarHBondContact O-CG 3.36Å; E62-K66 PolarHBondContact O-N 3.49Å; E62-K66 WeakPolarHBondContact OE1-CE 3.42Å; E62-K66 IonicContact OE1-NZ 2.65Å; E62-K66 PolarHBondContact OE1-NZ 3.42Å |
| 63 | G | 94.1 | Very high | 94.6 | Very high | 22 Ų | 22 | 43.7 Ų | 43.7 | 23% | 0.227 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.2 | -46.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | N60 G61 L65 K66 V67 | N60-G63 PolarHBondContact O-N 3.48Å; N60-G63 VanDerWaalsContact O-N 3.08Å; G61-G63 PolarHBondContact O-N 3.26Å; G63-L65 VanDerWaalsContact C-N 3.34Å; G63-L65 PolarHBondContact O-N 3.25Å; G63-K66 PolarHBondContact O-N 3Å; G63-V67 WeakPolarHBondContact O-CG2 3.42Å; G63-V67 PolarHBondContact O-N 3.4Å |
| 64 | L | 95.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.016 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.6 | -37.9 | 178.1 | -66.6 | 164.9 | 0 | 0 | 0 | 112.3 | I27 I31 I53 D56 I57 N60 G61 V67 L68 F96 | I27-L64 HydrophobicContact CB-CD2 4.31Å; I27-L64 HydrophobicContact CG2-CD2 3.71Å; I31-L64 HydrophobicContact CD1-CD2 4.14Å; I53-L64 HydrophobicContact CG2-CD1 4.43Å; D56-L64 HydrophobicContact CB-CD1 4.25Å; I57-L64 HydrophobicContact CG1-CD1 4.16Å; N60-L64 WeakPolarHBondContact O-CG 3.4Å; N60-L64 PolarHBondContact O-N 2.79Å; G61-L64 PolarHBondContact O-N 3.18Å; L64-V67 PolarHBondContact O-N 2.85Å; L64-L68 WeakPolarHBondContact O-CB 3.28Å; L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 3.3Å; L64-F96 HydrophobicContact CB-CE2 4.13Å; L64-F96 HydrophobicContact CB-CZ 3.89Å |
| 65 | L | 96.5 | Very high | 94.2 | Very high | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.084 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 172.7 | -72.9 | 175.4 | 0 | 0 | 0 | 112 | G61 G63 L68 S69 F96 Q99 L100 L103 | G61-L65 VanDerWaalsContact O-CG 3.31Å; G61-L65 WeakPolarHBondContact O-CG 3.44Å; G61-L65 PolarHBondContact O-N 2.96Å; G63-L65 VanDerWaalsContact C-N 3.34Å; G63-L65 PolarHBondContact O-N 3.25Å; L65-L68 PolarHBondContact O-N 3.21Å; L65-S69 PolarHBondContact O-N 2.8Å; L65-F96 HydrophobicContact CD2-CD2 4Å; L65-F96 HydrophobicContact CD2-CE1 4.34Å; L65-F96 HydrophobicContact CD2-CE2 3.64Å; L65-F96 HydrophobicContact CD2-CZ 3.82Å; L65-F96 HydrophobicContact CG-CD2 4.22Å; L65-F96 HydrophobicContact CG-CE2 3.66Å; L65-F96 HydrophobicContact CG-CZ 4.15Å; L65-Q99 HydrophobicContact CD1-CB 3.89Å; L65-Q99 HydrophobicContact CD2-CB 4.21Å; L65-L100 HydrophobicContact CD2-CB 3.64Å; L65-L100 HydrophobicContact CD2-CD1 4.24Å; L65-L100 HydrophobicContact CD2-CG 4.49Å; L65-L103 HydrophobicContact CB-CD2 3.93Å; L65-L103 WeakPolarHBondContact O-CD2 3.22Å |
| 66 | K | 95 | Very high | 94 | Very high | 108 Ų | 108 | 39.7 Ų | 39.7 | 47% | 0.47 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 178 | -69.9 | 170.1 | -173 | 170.8 | 0 | 112 | E62 G63 S69 N70 | E62-K66 WeakPolarHBondContact O-CG 3.36Å; E62-K66 PolarHBondContact O-N 3.49Å; E62-K66 WeakPolarHBondContact OE1-CE 3.42Å; E62-K66 IonicContact OE1-NZ 2.65Å; E62-K66 PolarHBondContact OE1-NZ 3.42Å; G63-K66 PolarHBondContact O-N 3Å; K66-S69 PolarHBondContact O-N 3.48Å; K66-N70 WeakPolarHBondContact O-CB 3.12Å; K66-N70 VanDerWaalsContact O-CG 3.22Å; K66-N70 PolarHBondContact O-N 3.46Å |
| 67 | V | 94.8 | Very high | 93.8 | Very high | 12 Ų | 12 | 39.4 Ų | 39.4 | 7% | 0.073 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -47.2 | 176.1 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | E28 I31 Y32 G63 L64 N70 C71 | E28-V67 HydrophobicContact CB-CG2 4.11Å; E28-V67 HydrophobicContact CG-CG1 4.12Å; E28-V67 HydrophobicContact CG-CG2 3.7Å; I31-V67 HydrophobicContact CB-CG1 4.17Å; I31-V67 HydrophobicContact CD1-CG1 3.92Å; I31-V67 HydrophobicContact CG2-CG1 4.07Å; Y32-V67 HydrophobicContact CE2-CG1 4.11Å; G63-V67 WeakPolarHBondContact O-CG2 3.42Å; G63-V67 PolarHBondContact O-N 3.4Å; L64-V67 PolarHBondContact O-N 2.85Å; V67-N70 PolarHBondContact O-N 2.7Å; V67-C71 PolarHBondContact O-N 3.06Å; V67-C71 PolarHBondContact O-SG 2.94Å |
| 68 | L | 96.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 39.1 Ų | 39.1 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 179.8 | -71.3 | 169.9 | 0 | 0 | 0 | 112.6 | I31 L64 L65 N70 C71 V72 L85 L89 F96 L100 | I31-L68 HydrophobicContact CD1-CD2 4.34Å; I31-L68 HydrophobicContact CG2-CD2 4Å; L64-L68 WeakPolarHBondContact O-CB 3.28Å; L64-L68 WeakPolarHBondContact O-CG 3.38Å; L64-L68 PolarHBondContact O-N 3.3Å; L65-L68 PolarHBondContact O-N 3.21Å; L68-N70 PolarHBondContact O-N 2.93Å; L68-C71 PolarHBondContact O-N 3.49Å; L68-V72 PolarHBondContact O-N 3.16Å; L68-V72 VanDerWaalsContact O-N 3.16Å; L68-L85 HydrophobicContact CD2-CD2 4.46Å; L68-L89 HydrophobicContact CD1-CD1 4.19Å; L68-F96 HydrophobicContact CD1-CE1 3.78Å; L68-F96 HydrophobicContact CD1-CZ 3.92Å; L68-L100 HydrophobicContact CB-CD1 3.88Å; L68-L100 HydrophobicContact CB-CD2 3.94Å; L68-L100 HydrophobicContact CD1-CD2 3.95Å |
| 69 | S | 96.1 | Very high | 93.8 | Very high | 1 Ų | 1 | 34.1 Ų | 34.1 | 1% | 0.007 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -59.7 | -46 | 172.4 | 178.7 | 0 | 0 | 0 | 0 | 111.5 | L65 K66 C71 V72 K73 D107 | L65-S69 PolarHBondContact O-N 2.8Å; K66-S69 PolarHBondContact O-N 3.48Å; S69-C71 VanDerWaalsContact C-N 3.3Å; S69-C71 PolarHBondContact O-N 3.44Å; S69-V72 WeakPolarHBondContact O-CB 3.38Å; S69-V72 PolarHBondContact O-N 3.28Å; S69-K73 WeakPolarHBondContact O-CE 3.45Å; S69-K73 PolarHBondContact O-N 3.41Å; S69-K73 VanDerWaalsContact OG-CE 3.32Å; S69-K73 WeakPolarHBondContact OG-CE 3.2Å; S69-K73 PolarHBondContact OG-NZ 2.77Å; S69-D107 PolarHBondContact OG-OD2 3.17Å |
| 70 | N | 94.6 | Very high | 93.9 | Very high | 42 Ų | 42 | 27.9 Ų | 27.9 | 23% | 0.225 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -67.7 | -28.3 | 179.3 | -68.7 | -8.9 | 0 | 0 | 0 | 112.8 | F15 K66 V67 L68 K73 N74 | F15-N70 HydrophobicContact CE1-CB 4.3Å; K66-N70 WeakPolarHBondContact O-CB 3.12Å; K66-N70 VanDerWaalsContact O-CG 3.22Å; K66-N70 PolarHBondContact O-N 3.46Å; V67-N70 PolarHBondContact O-N 2.7Å; L68-N70 PolarHBondContact O-N 2.93Å; N70-K73 PolarHBondContact O-N 2.86Å; N70-K73 WeakPolarHBondContact OD1-CE 3.26Å; N70-K73 PolarHBondContact OD1-NZ 3.05Å; N70-N74 WeakPolarHBondContact O-CB 3.09Å; N70-N74 VanDerWaalsContact O-CG 3.32Å; N70-N74 PolarHBondContact O-N 3.29Å |
| 71 | C | 94.6 | Very high | 94 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.1 | -38.7 | 172.2 | -68.8 | 0 | 0 | 0 | 0 | 112.5 | I31 Y32 V67 L68 S69 K73 V75 Y82 | I31-C71 VanDerWaalsContact CG2-SG 3.56Å; Y32-C71 WeakPolarHBondContact CE1-SG 3.48Å; V67-C71 PolarHBondContact O-N 3.06Å; V67-C71 PolarHBondContact O-SG 2.94Å; L68-C71 PolarHBondContact O-N 3.49Å; S69-C71 VanDerWaalsContact C-N 3.3Å; S69-C71 PolarHBondContact O-N 3.44Å; C71-K73 VanDerWaalsContact C-N 3.29Å; C71-K73 PolarHBondContact O-N 3.29Å; C71-V75 CarbonylContact O-C 3.57Å; C71-V75 WeakPolarHBondContact O-CA 3.44Å; C71-V75 WeakPolarHBondContact O-CB 3.41Å; C71-V75 PolarHBondContact O-N 3.44Å; C71-V75 VanDerWaalsContact O-N 3.07Å; C71-Y82 HydrophobicContact CB-CD1 4.24Å; C71-Y82 HydrophobicContact CB-CD2 4.18Å; C71-Y82 HydrophobicContact CB-CE1 3.92Å; C71-Y82 HydrophobicContact CB-CE2 3.85Å; C71-Y82 HydrophobicContact CB-CG 4.38Å |
| 72 | V | 95.1 | Very high | 94.2 | Very high | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.024 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.8 | -38.7 | 174.9 | 169 | 0 | 0 | 0 | 0 | 111.8 | L68 S69 L104 Y122 I123 F126 | L68-V72 PolarHBondContact O-N 3.16Å; L68-V72 VanDerWaalsContact O-N 3.16Å; S69-V72 WeakPolarHBondContact O-CB 3.38Å; S69-V72 PolarHBondContact O-N 3.28Å; V72-L104 HydrophobicContact CB-CD2 4.21Å; V72-L104 HydrophobicContact CG1-CD2 4.09Å; V72-L104 HydrophobicContact CG2-CD2 4.41Å; V72-Y122 WeakPolarHBondContact O-CB 3.32Å; V72-I123 HydrophobicContact CG1-CG1 4.35Å; V72-F126 HydrophobicContact CB-CG 4.43Å; V72-F126 HydrophobicContact CG1-CB 3.56Å; V72-F126 HydrophobicContact CG1-CD1 4.29Å; V72-F126 HydrophobicContact CG1-CD2 4.24Å; V72-F126 HydrophobicContact CG1-CG 3.78Å; V72-F126 HydrophobicContact CG2-CB 4.42Å; V72-F126 HydrophobicContact CG2-CD1 4.03Å; V72-F126 HydrophobicContact CG2-CD2 3.55Å; V72-F126 HydrophobicContact CG2-CE1 4.17Å; V72-F126 HydrophobicContact CG2-CE2 3.68Å; V72-F126 HydrophobicContact CG2-CG 3.73Å; V72-F126 HydrophobicContact CG2-CZ 4Å |
| 73 | K | 93.2 | Very high | 94.4 | Very high | 22 Ų | 22 | 17.5 Ų | 17.5 | 10% | 0.096 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -84.5 | -45.5 | -177.1 | -63.2 | 171.8 | -64.6 | -174.7 | 0 | 112.9 | S69 N70 C71 D107 D119 Y122 I123 | S69-K73 WeakPolarHBondContact O-CE 3.45Å; S69-K73 PolarHBondContact O-N 3.41Å; S69-K73 VanDerWaalsContact OG-CE 3.32Å; S69-K73 WeakPolarHBondContact OG-CE 3.2Å; S69-K73 PolarHBondContact OG-NZ 2.77Å; N70-K73 PolarHBondContact O-N 2.86Å; N70-K73 WeakPolarHBondContact OD1-CE 3.26Å; N70-K73 PolarHBondContact OD1-NZ 3.05Å; C71-K73 VanDerWaalsContact C-N 3.29Å; C71-K73 PolarHBondContact O-N 3.29Å; K73-D107 IonicContact NZ-OD2 2.81Å; K73-D107 PolarHBondContact NZ-OD2 3.23Å; K73-D119 HydrophobicContact CD-CB 4.19Å; K73-D119 WeakPolarHBondContact CD-OD2 3.39Å; K73-D119 HydrophobicContact CG-CB 4.26Å; K73-Y122 WeakPolarHBondContact O-CD2 3.38Å; K73-I123 HydrophobicContact CD-CD1 4.09Å; K73-I123 HydrophobicContact CD-CG1 4.38Å; K73-I123 HydrophobicContact CG-CD1 4.21Å; K73-I123 HydrophobicContact CG-CG1 3.99Å |
| 74 | N | 90.9 | Very high | 94.5 | Very high | 48 Ų | 48 | 16.4 Ų | 16.4 | 26% | 0.257 | 8% | 0.08 | S | C | . | . | H | α-helix | trans | -101.2 | -8 | -166.7 | -53.4 | 1.1 | 0 | 0 | 0 | 114 | F15 R19 N70 | F15-N74 WeakPolarHBondContact CE1-ND2 3.35Å; R19-N74 PolarHBondContact NH1-O 2.88Å; R19-N74 VanDerWaalsContact NH1-O 3.08Å; R19-N74 PolarHBondContact NH2-O 3.26Å; R19-N74 VanDerWaalsContact NH2-O 3.14Å; N70-N74 WeakPolarHBondContact O-CB 3.09Å; N70-N74 VanDerWaalsContact O-CG 3.32Å; N70-N74 PolarHBondContact O-N 3.29Å |
| 75 | V | 91.7 | Very high | 94.6 | Very high | 2 Ų | 2 | 16.3 Ų | 16.3 | 1% | 0.012 | 8% | 0.08 | C | C | . | . | trans | -132.6 | 46.8 | -179.4 | -161.8 | 0 | 0 | 0 | 0 | 111.7 | Y32 C71 E77 R78 Y82 | Y32-V75 HydrophobicContact CD1-CG2 4.01Å; Y32-V75 HydrophobicContact CE1-CG2 4.12Å; C71-V75 CarbonylContact O-C 3.57Å; C71-V75 WeakPolarHBondContact O-CA 3.44Å; C71-V75 WeakPolarHBondContact O-CB 3.41Å; C71-V75 PolarHBondContact O-N 3.44Å; C71-V75 VanDerWaalsContact O-N 3.07Å; V75-E77 VanDerWaalsContact C-OE2 3.3Å; V75-E77 WeakPolarHBondContact CA-OE2 3.46Å; V75-E77 VanDerWaalsContact CG1-OE1 3.27Å; V75-E77 WeakPolarHBondContact CG1-OE1 3.34Å; V75-E77 PolarHBondContact O-N 3.34Å; V75-E77 VanDerWaalsContact O-N 3.12Å; V75-R78 HydrophobicContact CG1-CB 4.43Å; V75-R78 HydrophobicContact CG1-CG 4.2Å; V75-R78 PolarHBondContact O-N 2.94Å; V75-Y82 HydrophobicContact CB-CE2 3.82Å; V75-Y82 HydrophobicContact CG1-CE2 3.9Å | ||
| 76 | P | 92 | Very high | 94.6 | Very high | 6 Ų | 6 | 15.6 Ų | 15.6 | 4% | 0.039 | 8% | 0.076 | C | C | . | . | G | 310 helix | trans | -60.5 | -20 | -178.6 | 27.1 | -38.2 | 0 | 0 | 0 | 114.1 | R78 I79 Y122 I339 N343 | P76-R78 PolarHBondContact O-N 3.45Å; P76-I79 WeakPolarHBondContact O-CB 3.16Å; P76-I79 PolarHBondContact O-N 3.12Å; P76-I79 VanDerWaalsContact O-N 3.1Å; P76-Y122 HydrophobicContact CB-CD1 3.48Å; P76-Y122 VanDerWaalsContact CB-CD1 3.48Å; P76-Y122 HydrophobicContact CB-CD2 4.01Å; P76-Y122 HydrophobicContact CB-CE1 3.59Å; P76-Y122 HydrophobicContact CB-CE2 4.1Å; P76-Y122 HydrophobicContact CB-CG 3.73Å; P76-Y122 HydrophobicContact CG-CD1 4.12Å; P76-Y122 HydrophobicContact CG-CD2 3.93Å; P76-Y122 HydrophobicContact CG-CE1 3.87Å; P76-Y122 HydrophobicContact CG-CE2 3.66Å; P76-Y122 HydrophobicContact CG-CG 4.19Å; P76-I339 HydrophobicContact CB-CG2 4.32Å; P76-I339 HydrophobicContact CG-CG2 3.76Å; P76-N343 WeakPolarHBondContact CD-ND2 3.21Å |
| 77 | E | 90.7 | Very high | 94.8 | Very high | 19 Ų | 19 | 10.5 Ų | 10.5 | 9% | 0.089 | 5% | 0.054 | C | C | . | . | G | 310 helix | trans | -62 | -9.7 | 173.3 | 76.9 | -79.3 | -173.3 | 0 | 0 | 113.5 | R19 V75 H336 I339 L340 N343 | R19-E77 IonicContact CZ-OE1 2.77Å; R19-E77 IonicContact NH2-OE1 3.11Å; R19-E77 PolarHBondContact NH2-OE1 3.42Å; R19-E77 IonicContact NH2-OE2 3.65Å; R19-E77 PolarHBondContact NH2-OE2 3.03Å; V75-E77 VanDerWaalsContact C-OE2 3.3Å; V75-E77 WeakPolarHBondContact CA-OE2 3.46Å; V75-E77 VanDerWaalsContact CG1-OE1 3.27Å; V75-E77 WeakPolarHBondContact CG1-OE1 3.34Å; V75-E77 PolarHBondContact O-N 3.34Å; V75-E77 VanDerWaalsContact O-N 3.12Å; E77-H336 PolarHBondContact O-NE2 2.95Å; E77-I339 HydrophobicContact CB-CG2 3.98Å; E77-L340 HydrophobicContact CB-CD2 3.75Å; E77-L340 HydrophobicContact CB-CG 4.34Å; E77-L340 HydrophobicContact CG-CD2 3.91Å; E77-N343 PolarHBondContact OE2-ND2 2.87Å |
| 78 | R | 92.4 | Very high | 94.9 | Very high | 15 Ų | 15 | 10.9 Ų | 10.9 | 6% | 0.057 | 6% | 0.056 | C | C | . | . | G | 310 helix | trans | -125 | 21.6 | 176.9 | -49 | -168.5 | -147.9 | 141.3 | 22 | 113.1 | Y32 I34 V75 P76 L80 I81 Y82 | Y32-R78 PolarHBondContact O-NH1 2.8Å; I34-R78 WeakPolarHBondContact O-CD 3.35Å; I34-R78 PolarHBondContact O-NH1 3.18Å; V75-R78 HydrophobicContact CG1-CB 4.43Å; V75-R78 HydrophobicContact CG1-CG 4.2Å; V75-R78 PolarHBondContact O-N 2.94Å; P76-R78 PolarHBondContact O-N 3.45Å; R78-L80 PolarHBondContact O-N 3.11Å; R78-L80 VanDerWaalsContact O-N 3.13Å; R78-I81 HydrophobicContact CB-CB 4.24Å; R78-I81 HydrophobicContact CB-CD1 4.08Å; R78-I81 HydrophobicContact CG-CD1 4.33Å; R78-I81 WeakPolarHBondContact O-CA 3.47Å; R78-I81 WeakPolarHBondContact O-CB 3.34Å; R78-I81 PolarHBondContact O-N 3.39Å; R78-Y82 HydrophobicContact CB-CD2 4.12Å; R78-Y82 HydrophobicContact CB-CE2 3.67Å; R78-Y82 VanDerWaalsContact O-CD2 3.27Å; R78-Y82 WeakPolarHBondContact O-CD2 3.38Å; R78-Y82 PolarHBondContact O-N 3.01Å |
| 79 | I | 94.7 | Very high | 94.9 | Very high | 9 Ų | 9 | 10.8 Ų | 10.8 | 5% | 0.046 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -54.8 | -35.4 | -176.7 | -159.1 | 171.7 | 0 | 0 | 0 | 113.4 | P76 Y82 A83 L125 F126 | P76-I79 WeakPolarHBondContact O-CB 3.16Å; P76-I79 PolarHBondContact O-N 3.12Å; P76-I79 VanDerWaalsContact O-N 3.1Å; I79-Y82 PolarHBondContact O-N 3.5Å; I79-A83 WeakPolarHBondContact O-CB 3.47Å; I79-A83 PolarHBondContact O-N 2.99Å; I79-L125 HydrophobicContact CD1-CB 3.91Å; I79-L125 HydrophobicContact CD1-CD2 3.67Å; I79-L125 HydrophobicContact CD1-CG 3.78Å; I79-F126 HydrophobicContact CD1-CB 3.91Å; I79-F126 HydrophobicContact CG1-CB 4.03Å; I79-F126 HydrophobicContact CG1-CD2 3.96Å |
| 80 | L | 94.7 | Very high | 95 | Very high | 24 Ų | 24 | 10.9 Ų | 10.9 | 13% | 0.126 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -69.2 | -36.6 | 175.8 | -57.1 | -179.4 | 0 | 0 | 0 | 112.7 | R78 T84 V129 Y176 T246 W247 | R78-L80 PolarHBondContact O-N 3.11Å; R78-L80 VanDerWaalsContact O-N 3.13Å; L80-T84 WeakPolarHBondContact O-CB 3.46Å; L80-T84 PolarHBondContact O-N 3.48Å; L80-T84 VanDerWaalsContact O-N 3.08Å; L80-T84 PolarHBondContact O-OG1 3.42Å; L80-V129 HydrophobicContact CD2-CG1 3.67Å; L80-V129 HydrophobicContact CD2-CG2 3.99Å; L80-Y176 HydrophobicContact CD2-CD1 4.03Å; L80-Y176 HydrophobicContact CD2-CE1 3.86Å; L80-T246 HydrophobicContact CD1-CG2 3.64Å; L80-W247 WeakPolarHBondContact CD1-O 3.32Å |
| 81 | I | 95.1 | Very high | 95.1 | Very high | 9 Ų | 9 | 11 Ų | 11 | 5% | 0.046 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -67.2 | -47 | 174.8 | -68.5 | 164.8 | 0 | 0 | 0 | 109.5 | I34 I46 R78 T84 L85 W247 L249 | I34-I81 HydrophobicContact CG1-CG2 4.39Å; I34-I81 HydrophobicContact CG2-CG2 3.88Å; I46-I81 HydrophobicContact CD1-CB 4.47Å; I46-I81 HydrophobicContact CD1-CG1 4.47Å; I46-I81 HydrophobicContact CD1-CG2 3.81Å; I46-I81 HydrophobicContact CG1-CG2 4.13Å; R78-I81 HydrophobicContact CB-CB 4.24Å; R78-I81 HydrophobicContact CB-CD1 4.08Å; R78-I81 HydrophobicContact CG-CD1 4.33Å; R78-I81 WeakPolarHBondContact O-CA 3.47Å; R78-I81 WeakPolarHBondContact O-CB 3.34Å; R78-I81 PolarHBondContact O-N 3.39Å; I81-T84 PolarHBondContact O-N 3.4Å; I81-L85 WeakPolarHBondContact O-CB 3.49Å; I81-L85 PolarHBondContact O-N 3.13Å; I81-W247 HydrophobicContact CD1-CZ3 4.23Å; I81-W247 HydrophobicContact CG1-CZ3 4.39Å; I81-L249 HydrophobicContact CG1-CD2 3.75Å |
| 82 | Y | 96.5 | Very high | 95.2 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.008 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65.5 | -38.9 | 178.5 | -63.3 | -52.7 | 0 | 0 | 0 | 112.8 | I31 I34 C71 V75 R78 I79 L85 V86 | I31-Y82 HydrophobicContact CG2-CD1 4.48Å; I31-Y82 HydrophobicContact CG2-CE1 3.87Å; I31-Y82 WeakPolarHBondContact O-CE1 3.28Å; I31-Y82 PolarHBondContact O-OH 2.72Å; I34-Y82 HydrophobicContact CG2-CE1 4.16Å; C71-Y82 HydrophobicContact CB-CD1 4.24Å; C71-Y82 HydrophobicContact CB-CD2 4.18Å; C71-Y82 HydrophobicContact CB-CE1 3.92Å; C71-Y82 HydrophobicContact CB-CE2 3.85Å; C71-Y82 HydrophobicContact CB-CG 4.38Å; V75-Y82 HydrophobicContact CB-CE2 3.82Å; V75-Y82 HydrophobicContact CG1-CE2 3.9Å; R78-Y82 HydrophobicContact CB-CD2 4.12Å; R78-Y82 HydrophobicContact CB-CE2 3.67Å; R78-Y82 VanDerWaalsContact O-CD2 3.27Å; R78-Y82 WeakPolarHBondContact O-CD2 3.38Å; R78-Y82 PolarHBondContact O-N 3.01Å; I79-Y82 PolarHBondContact O-N 3.5Å; Y82-L85 PolarHBondContact O-N 3.16Å; Y82-V86 WeakPolarHBondContact O-CB 3.35Å; Y82-V86 VanDerWaalsContact O-CG2 3.3Å; Y82-V86 WeakPolarHBondContact O-CG2 3.25Å; Y82-V86 PolarHBondContact O-N 3.39Å |
| 83 | A | 97.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | I79 V86 G87 F126 V129 C133 | I79-A83 WeakPolarHBondContact O-CB 3.47Å; I79-A83 PolarHBondContact O-N 2.99Å; A83-V86 PolarHBondContact O-N 2.66Å; A83-G87 PolarHBondContact O-N 2.84Å; A83-F126 HydrophobicContact CB-CD2 4.33Å; A83-F126 HydrophobicContact CB-CE2 3.98Å; A83-V129 HydrophobicContact CB-CB 4.33Å; A83-V129 HydrophobicContact CB-CG1 3.46Å; A83-V129 VanDerWaalsContact CB-CG1 3.46Å; A83-C133 PolarHBondContact O-SG 3.37Å |
| 84 | T | 97.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.8 | -47.1 | 175.4 | -53.6 | 0 | 0 | 0 | 0 | 111.2 | I46 L80 I81 G87 L88 Y250 F253 L256 | I46-T84 HydrophobicContact CG2-CG2 4.45Å; L80-T84 WeakPolarHBondContact O-CB 3.46Å; L80-T84 PolarHBondContact O-N 3.48Å; L80-T84 VanDerWaalsContact O-N 3.08Å; L80-T84 PolarHBondContact O-OG1 3.42Å; I81-T84 PolarHBondContact O-N 3.4Å; T84-G87 PolarHBondContact O-N 3.5Å; T84-L88 PolarHBondContact O-N 3.19Å; T84-Y250 PolarHBondContact OG1-N 2.79Å; T84-F253 HydrophobicContact CG2-CD2 3.57Å; T84-F253 HydrophobicContact CG2-CE2 3.61Å; T84-L256 HydrophobicContact CG2-CD1 4.44Å |
| 85 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.8 | -49.4 | 176.2 | 178 | 63.4 | 0 | 0 | 0 | 111.8 | I46 L49 A50 I53 L68 I81 Y82 G87 L88 L89 | I46-L85 HydrophobicContact CG2-CB 4.41Å; I46-L85 HydrophobicContact CG2-CD1 4.35Å; L49-L85 HydrophobicContact CB-CD1 4.44Å; L49-L85 HydrophobicContact CD2-CD1 4.5Å; L49-L85 HydrophobicContact CD2-CD2 3.96Å; L49-L85 HydrophobicContact CG-CD1 4.32Å; L49-L85 HydrophobicContact CG-CD2 4.49Å; A50-L85 HydrophobicContact CB-CD1 3.84Å; I53-L85 HydrophobicContact CD1-CD1 4.33Å; I53-L85 HydrophobicContact CD1-CD2 4.14Å; L68-L85 HydrophobicContact CD2-CD2 4.46Å; I81-L85 WeakPolarHBondContact O-CB 3.49Å; I81-L85 PolarHBondContact O-N 3.13Å; Y82-L85 PolarHBondContact O-N 3.16Å; L85-G87 VanDerWaalsContact C-N 3.29Å; L85-G87 PolarHBondContact O-N 3.4Å; L85-L88 PolarHBondContact O-N 2.7Å; L85-L89 WeakPolarHBondContact O-CG 3.33Å; L85-L89 PolarHBondContact O-N 3.05Å |
| 86 | V | 97.6 | Very high | 95.9 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66 | -32.3 | 178.7 | 173.2 | 0 | 0 | 0 | 0 | 111.6 | Y82 A83 L89 N90 V97 L100 F126 T135 | Y82-V86 WeakPolarHBondContact O-CB 3.35Å; Y82-V86 VanDerWaalsContact O-CG2 3.3Å; Y82-V86 WeakPolarHBondContact O-CG2 3.25Å; Y82-V86 PolarHBondContact O-N 3.39Å; A83-V86 PolarHBondContact O-N 2.66Å; V86-L89 PolarHBondContact O-N 3.22Å; V86-N90 WeakPolarHBondContact O-CB 3.34Å; V86-N90 PolarHBondContact O-N 3.16Å; V86-V97 HydrophobicContact CG1-CG1 3.69Å; V86-V97 HydrophobicContact CG1-CG2 4.22Å; V86-L100 HydrophobicContact CG1-CD2 3.98Å; V86-L100 HydrophobicContact CG2-CD2 3.75Å; V86-F126 HydrophobicContact CB-CZ 4.23Å; V86-F126 HydrophobicContact CG1-CZ 4.41Å; V86-F126 HydrophobicContact CG2-CZ 4.13Å; V86-T135 HydrophobicContact CG1-CG2 4.19Å |
| 87 | G | 97.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.3 | -47.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A83 T84 L85 L89 N90 L91 T135 | A83-G87 PolarHBondContact O-N 2.84Å; T84-G87 PolarHBondContact O-N 3.5Å; L85-G87 VanDerWaalsContact C-N 3.29Å; L85-G87 PolarHBondContact O-N 3.4Å; G87-L89 VanDerWaalsContact C-N 3.34Å; G87-L89 PolarHBondContact O-N 3.33Å; G87-N90 WeakPolarHBondContact O-CB 3.45Å; G87-N90 PolarHBondContact O-N 3.41Å; G87-N90 VanDerWaalsContact O-N 3.1Å; G87-L91 PolarHBondContact O-N 2.88Å; G87-L91 VanDerWaalsContact O-N 3.16Å; G87-T135 WeakPolarHBondContact CA-OG1 3.41Å |
| 88 | L | 97.4 | Very high | 96.5 | Very high | 20 Ų | 20 | 25.1 Ų | 25.1 | 11% | 0.105 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -66.3 | -36.4 | 177.1 | -64.9 | 175.5 | 0 | 0 | 0 | 112.2 | I46 A50 T84 L85 N90 L91 F253 L256 | I46-L88 HydrophobicContact CG2-CD1 3.63Å; A50-L88 HydrophobicContact CB-CB 4.05Å; A50-L88 HydrophobicContact CB-CD1 4.48Å; T84-L88 PolarHBondContact O-N 3.19Å; L85-L88 PolarHBondContact O-N 2.7Å; L88-N90 VanDerWaalsContact C-N 3.31Å; L88-N90 PolarHBondContact O-N 2.72Å; L88-L91 HydrophobicContact CD2-CD1 4.28Å; L88-L91 PolarHBondContact O-N 3.44Å; L88-F253 HydrophobicContact CD1-CD1 3.96Å; L88-F253 HydrophobicContact CD1-CE1 3.76Å; L88-F253 HydrophobicContact CD1-CG 4.47Å; L88-F253 HydrophobicContact CD1-CZ 4.13Å; L88-F253 HydrophobicContact CD2-CB 4.21Å; L88-F253 HydrophobicContact CD2-CD1 3.8Å; L88-F253 HydrophobicContact CD2-CE1 4.43Å; L88-F253 HydrophobicContact CD2-CG 4.13Å; L88-F253 HydrophobicContact CG-CD1 4.42Å; L88-L256 HydrophobicContact CD2-CD2 3.95Å; L88-L256 HydrophobicContact CD2-CG 4.32Å; L88-L256 HydrophobicContact CG-CD2 4.32Å |
| 89 | L | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.9 | -39.4 | 170.4 | -64.9 | 176.7 | 0 | 0 | 0 | 111.2 | A50 I53 L54 L68 L85 V86 G87 L91 K92 N93 F96 V97 | A50-L89 HydrophobicContact CB-CD2 4.25Å; A50-L89 WeakPolarHBondContact O-CD2 3.31Å; I53-L89 HydrophobicContact CB-CD2 4.01Å; I53-L89 HydrophobicContact CD1-CD1 4.4Å; I53-L89 HydrophobicContact CG2-CD1 3.96Å; I53-L89 HydrophobicContact CG2-CD2 3.74Å; L54-L89 HydrophobicContact CD1-CD2 4.31Å; L54-L89 HydrophobicContact CD2-CD2 4.07Å; L54-L89 HydrophobicContact CG-CD2 3.73Å; L68-L89 HydrophobicContact CD1-CD1 4.19Å; L85-L89 WeakPolarHBondContact O-CG 3.33Å; L85-L89 PolarHBondContact O-N 3.05Å; V86-L89 PolarHBondContact O-N 3.22Å; G87-L89 VanDerWaalsContact C-N 3.34Å; G87-L89 PolarHBondContact O-N 3.33Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-L91 PolarHBondContact O-N 3.08Å; L89-K92 PolarHBondContact O-N 3.1Å; L89-K92 VanDerWaalsContact O-N 3.13Å; L89-N93 PolarHBondContact O-N 3.15Å; L89-F96 HydrophobicContact CD1-CE1 4.18Å; L89-V97 HydrophobicContact CB-CG2 3.82Å |
| 90 | N | 97.4 | Very high | 96.9 | Very high | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -63.8 | -36.5 | 179.6 | -166.8 | 37.7 | 0 | 0 | 0 | 112 | V86 G87 L88 K92 R94 V97 Q261 H263 | V86-N90 WeakPolarHBondContact O-CB 3.34Å; V86-N90 PolarHBondContact O-N 3.16Å; G87-N90 WeakPolarHBondContact O-CB 3.45Å; G87-N90 PolarHBondContact O-N 3.41Å; G87-N90 VanDerWaalsContact O-N 3.1Å; L88-N90 VanDerWaalsContact C-N 3.31Å; L88-N90 PolarHBondContact O-N 2.72Å; N90-K92 PolarHBondContact O-N 2.89Å; N90-K92 VanDerWaalsContact O-N 3.16Å; N90-R94 WeakPolarHBondContact O-CG 3.48Å; N90-V97 HydrophobicContact CB-CB 4.19Å; N90-V97 HydrophobicContact CB-CG1 4.09Å; N90-V97 HydrophobicContact CB-CG2 4.03Å; N90-Q261 PolarHBondContact ND2-O 3.1Å; N90-Q261 VanDerWaalsContact ND2-O 3.1Å; N90-H263 PolarHBondContact OD1-NE2 2.91Å |
| 91 | L | 96.9 | Very high | 97.1 | Very high | 44 Ų | 44 | 27.4 Ų | 27.4 | 23% | 0.23 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -18.5 | 175.6 | -66 | -177.1 | 0 | 0 | 0 | 114.2 | G87 L88 L89 L256 H259 | G87-L91 PolarHBondContact O-N 2.88Å; G87-L91 VanDerWaalsContact O-N 3.16Å; L88-L91 HydrophobicContact CD2-CD1 4.28Å; L88-L91 PolarHBondContact O-N 3.44Å; L89-L91 VanDerWaalsContact C-N 3.32Å; L89-L91 PolarHBondContact O-N 3.08Å; L91-L256 HydrophobicContact CD1-CD2 4.02Å; L91-L256 HydrophobicContact CG-CD2 4.25Å; L91-H259 HydrophobicContact CD2-CB 3.95Å |
| 92 | K | 96.2 | Very high | 97.1 | Very high | 162 Ų | 162 | 33.2 Ų | 33.2 | 70% | 0.704 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -119.8 | -33.2 | -174.9 | -57.9 | -60.1 | -176.7 | -174.1 | 0 | 113.8 | L54 L89 N90 | L54-K92 HydrophobicContact CD1-CB 3.53Å; L54-K92 HydrophobicContact CD1-CG 3.7Å; L54-K92 HydrophobicContact CD2-CB 3.72Å; L54-K92 HydrophobicContact CG-CB 4.3Å; L89-K92 PolarHBondContact O-N 3.1Å; L89-K92 VanDerWaalsContact O-N 3.13Å; N90-K92 PolarHBondContact O-N 2.89Å; N90-K92 VanDerWaalsContact O-N 3.16Å |
| 93 | N | 96.5 | Very high | 97.2 | Very high | 46 Ų | 46 | 34.2 Ų | 34.2 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | trans | -141.6 | 79.6 | 178.1 | -170.1 | -15.7 | 0 | 0 | 0 | 111.5 | L54 L89 S95 F96 V97 | L54-N93 HydrophobicContact CD2-CB 3.74Å; L89-N93 PolarHBondContact O-N 3.15Å; N93-S95 PolarHBondContact O-N 3.22Å; N93-S95 PolarHBondContact OD1-N 3.43Å; N93-F96 HydrophobicContact CB-CB 4.28Å; N93-F96 PolarHBondContact O-N 3.13Å; N93-F96 PolarHBondContact OD1-N 3Å; N93-V97 PolarHBondContact O-N 3.09Å | ||
| 94 | R | 96.3 | Very high | 97.2 | Very high | 94 Ų | 94 | 34.2 Ų | 34.2 | 36% | 0.355 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -57.4 | -31.2 | 175.5 | -67.1 | -163.4 | 67.8 | -144.2 | -14.1 | 114.1 | N90 G98 Q261 H263 | N90-R94 WeakPolarHBondContact O-CG 3.48Å; R94-G98 PolarHBondContact O-N 3.34Å; R94-Q261 VanDerWaalsContact CD-OE1 3.23Å; R94-Q261 VanDerWaalsContact CZ-CB 3.48Å; R94-Q261 VanDerWaalsContact NE-CB 3.34Å; R94-Q261 PolarHBondContact NE-O 3.35Å; R94-Q261 VanDerWaalsContact NE-O 3.15Å; R94-Q261 PolarHBondContact NH2-O 3.37Å; R94-H263 PolarHBondContact NH2-CE1 3.49Å; R94-H263 PolarHBondContact NH2-ND1 3.34Å; R94-H263 PolarHBondContact O-CE1 2.99Å; R94-H263 PolarHBondContact O-NE2 2.86Å |
| 95 | S | 96.3 | Very high | 97.2 | Very high | 79 Ų | 79 | 35 Ų | 35 | 55% | 0.552 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -69.3 | -41.9 | -178.3 | -179.5 | 0 | 0 | 0 | 0 | 111.9 | N93 G98 Q99 | N93-S95 PolarHBondContact O-N 3.22Å; N93-S95 PolarHBondContact OD1-N 3.43Å; S95-G98 PolarHBondContact O-N 3.12Å; S95-Q99 WeakPolarHBondContact O-CG 3.35Å; S95-Q99 PolarHBondContact O-N 3.35Å; S95-Q99 VanDerWaalsContact O-N 3.15Å; S95-Q99 PolarHBondContact O-NE2 3.42Å; S95-Q99 VanDerWaalsContact O-NE2 3.1Å; S95-Q99 PolarHBondContact OG-NE2 3.32Å |
| 96 | F | 97.6 | Very high | 97.1 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.1 | -44.8 | 174 | 176.4 | -97.6 | 0 | 0 | 0 | 111.8 | I57 L64 L65 L68 L89 N93 G98 Q99 L100 | I57-F96 HydrophobicContact CB-CD2 4.38Å; I57-F96 HydrophobicContact CD1-CB 3.94Å; I57-F96 HydrophobicContact CD1-CD1 3.65Å; I57-F96 HydrophobicContact CD1-CD2 3.83Å; I57-F96 HydrophobicContact CD1-CE1 4.06Å; I57-F96 HydrophobicContact CD1-CE2 4.21Å; I57-F96 HydrophobicContact CD1-CG 3.52Å; I57-F96 HydrophobicContact CD1-CZ 4.33Å; I57-F96 HydrophobicContact CG1-CD1 4.3Å; I57-F96 HydrophobicContact CG1-CD2 3.72Å; I57-F96 HydrophobicContact CG1-CE1 4.38Å; I57-F96 HydrophobicContact CG1-CE2 3.79Å; I57-F96 HydrophobicContact CG1-CG 3.97Å; I57-F96 HydrophobicContact CG1-CZ 4.13Å; I57-F96 HydrophobicContact CG2-CB 4.31Å; I57-F96 HydrophobicContact CG2-CD2 3.75Å; I57-F96 HydrophobicContact CG2-CE2 4.41Å; I57-F96 HydrophobicContact CG2-CG 4.24Å; L64-F96 HydrophobicContact CB-CE2 4.13Å; L64-F96 HydrophobicContact CB-CZ 3.89Å; L65-F96 HydrophobicContact CD2-CD2 4Å; L65-F96 HydrophobicContact CD2-CE1 4.34Å; L65-F96 HydrophobicContact CD2-CE2 3.64Å; L65-F96 HydrophobicContact CD2-CZ 3.82Å; L65-F96 HydrophobicContact CG-CD2 4.22Å; L65-F96 HydrophobicContact CG-CE2 3.66Å; L65-F96 HydrophobicContact CG-CZ 4.15Å; L68-F96 HydrophobicContact CD1-CE1 3.78Å; L68-F96 HydrophobicContact CD1-CZ 3.92Å; L89-F96 HydrophobicContact CD1-CE1 4.18Å; N93-F96 HydrophobicContact CB-CB 4.28Å; N93-F96 PolarHBondContact O-N 3.13Å; N93-F96 PolarHBondContact OD1-N 3Å; F96-G98 VanDerWaalsContact C-N 3.35Å; F96-G98 PolarHBondContact O-N 2.88Å; F96-Q99 PolarHBondContact O-N 3.4Å; F96-L100 PolarHBondContact O-N 3.09Å |
| 97 | V | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69.2 | -33.2 | 178.5 | 178.9 | 0 | 0 | 0 | 0 | 112 | V86 L89 N90 N93 Q99 L100 I101 T135 | V86-V97 HydrophobicContact CG1-CG1 3.69Å; V86-V97 HydrophobicContact CG1-CG2 4.22Å; L89-V97 HydrophobicContact CB-CG2 3.82Å; N90-V97 HydrophobicContact CB-CB 4.19Å; N90-V97 HydrophobicContact CB-CG1 4.09Å; N90-V97 HydrophobicContact CB-CG2 4.03Å; N93-V97 PolarHBondContact O-N 3.09Å; V97-Q99 PolarHBondContact O-N 2.96Å; V97-L100 WeakPolarHBondContact O-CB 3.07Å; V97-L100 PolarHBondContact O-N 2.97Å; V97-I101 HydrophobicContact CG1-CG1 4.34Å; V97-I101 WeakPolarHBondContact O-CG1 3.23Å; V97-I101 PolarHBondContact O-N 3.26Å; V97-T135 HydrophobicContact CG1-CG2 3.71Å |
| 98 | G | 97.5 | Very high | 97.1 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 13% | 0.134 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -56.6 | -48.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | R94 S95 F96 L100 I101 E102 | R94-G98 PolarHBondContact O-N 3.34Å; S95-G98 PolarHBondContact O-N 3.12Å; F96-G98 VanDerWaalsContact C-N 3.35Å; F96-G98 PolarHBondContact O-N 2.88Å; G98-L100 VanDerWaalsContact C-N 3.31Å; G98-L100 PolarHBondContact O-N 3.28Å; G98-I101 PolarHBondContact O-N 3.04Å; G98-E102 WeakPolarHBondContact O-CG 3.39Å; G98-E102 PolarHBondContact O-N 3.45Å |
| 99 | Q | 97.4 | Very high | 97 | Very high | 91 Ų | 91 | 45 Ų | 45 | 43% | 0.425 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.3 | -34.3 | 175.1 | -69.9 | 165.5 | 66.6 | 0 | 0 | 113 | L65 S95 F96 V97 L103 | L65-Q99 HydrophobicContact CD1-CB 3.89Å; L65-Q99 HydrophobicContact CD2-CB 4.21Å; S95-Q99 WeakPolarHBondContact O-CG 3.35Å; S95-Q99 PolarHBondContact O-N 3.35Å; S95-Q99 VanDerWaalsContact O-N 3.15Å; S95-Q99 PolarHBondContact O-NE2 3.42Å; S95-Q99 VanDerWaalsContact O-NE2 3.1Å; S95-Q99 PolarHBondContact OG-NE2 3.32Å; F96-Q99 PolarHBondContact O-N 3.4Å; V97-Q99 PolarHBondContact O-N 2.96Å; Q99-L103 WeakPolarHBondContact O-CB 3.13Å; Q99-L103 PolarHBondContact O-N 3.17Å |
| 100 | L | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.1 | -40.2 | 174 | -177.3 | 59 | 0 | 0 | 0 | 112.1 | L65 L68 V86 F96 V97 G98 L103 L104 | L65-L100 HydrophobicContact CD2-CB 3.64Å; L65-L100 HydrophobicContact CD2-CD1 4.24Å; L65-L100 HydrophobicContact CD2-CG 4.49Å; L68-L100 HydrophobicContact CB-CD1 3.88Å; L68-L100 HydrophobicContact CB-CD2 3.94Å; L68-L100 HydrophobicContact CD1-CD2 3.95Å; V86-L100 HydrophobicContact CG1-CD2 3.98Å; V86-L100 HydrophobicContact CG2-CD2 3.75Å; F96-L100 PolarHBondContact O-N 3.09Å; V97-L100 WeakPolarHBondContact O-CB 3.07Å; V97-L100 PolarHBondContact O-N 2.97Å; G98-L100 VanDerWaalsContact C-N 3.31Å; G98-L100 PolarHBondContact O-N 3.28Å; L100-L103 HydrophobicContact CD1-CD2 4.34Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 3.22Å; L100-L104 HydrophobicContact CD1-CD1 4.41Å; L100-L104 HydrophobicContact CD1-CG 4.47Å; L100-L104 HydrophobicContact CG-CD1 4.2Å; L100-L104 WeakPolarHBondContact O-CB 3.4Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.41Å; L100-L104 PolarHBondContact O-N 3.28Å |
| 101 | I | 97.7 | Very high | 96.8 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.021 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -43.7 | 175.8 | -66.5 | -62.5 | 0 | 0 | 0 | 110.6 | V97 G98 L103 L104 Q105 L127 T135 V136 L265 | V97-I101 HydrophobicContact CG1-CG1 4.34Å; V97-I101 WeakPolarHBondContact O-CG1 3.23Å; V97-I101 PolarHBondContact O-N 3.26Å; G98-I101 PolarHBondContact O-N 3.04Å; I101-L103 VanDerWaalsContact C-N 3.34Å; I101-L103 PolarHBondContact O-N 2.83Å; I101-L104 PolarHBondContact O-N 3.01Å; I101-Q105 HydrophobicContact CG2-CG 4.5Å; I101-Q105 VanDerWaalsContact O-CG 3.29Å; I101-Q105 WeakPolarHBondContact O-CG 3.46Å; I101-Q105 PolarHBondContact O-N 2.8Å; I101-L127 HydrophobicContact CD1-CD2 3.89Å; I101-T135 HydrophobicContact CD1-CG2 4.36Å; I101-V136 HydrophobicContact CD1-CG2 3.8Å; I101-L265 HydrophobicContact CG2-CD2 3.37Å |
| 102 | E | 96.9 | Very high | 96.6 | Very high | 132 Ų | 132 | 46.7 Ų | 46.7 | 62% | 0.617 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.3 | -41.4 | 173.4 | -72.8 | 174.8 | -169.5 | 0 | 0 | 112.3 | G98 Q105 R106 | G98-E102 WeakPolarHBondContact O-CG 3.39Å; G98-E102 PolarHBondContact O-N 3.45Å; E102-Q105 PolarHBondContact O-N 3.23Å; E102-R106 PolarHBondContact O-N 2.61Å |
| 103 | L | 97.4 | Very high | 96.4 | Very high | 23 Ų | 23 | 47 Ų | 47 | 12% | 0.12 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -59.3 | -51 | 173 | 172.1 | 58.8 | 0 | 0 | 0 | 111.3 | L65 Q99 L100 I101 Q105 R106 D107 | L65-L103 HydrophobicContact CB-CD2 3.93Å; L65-L103 WeakPolarHBondContact O-CD2 3.22Å; Q99-L103 WeakPolarHBondContact O-CB 3.13Å; Q99-L103 PolarHBondContact O-N 3.17Å; L100-L103 HydrophobicContact CD1-CD2 4.34Å; L100-L103 WeakPolarHBondContact O-CB 3.43Å; L100-L103 PolarHBondContact O-N 3.22Å; I101-L103 VanDerWaalsContact C-N 3.34Å; I101-L103 PolarHBondContact O-N 2.83Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 PolarHBondContact O-N 2.94Å; L103-R106 PolarHBondContact O-N 3.35Å; L103-R106 VanDerWaalsContact O-N 3.15Å; L103-D107 WeakPolarHBondContact CD1-OD1 3.4Å; L103-D107 WeakPolarHBondContact O-CB 3.28Å; L103-D107 PolarHBondContact O-N 3.4Å |
| 104 | L | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.9 | -36.6 | 177.8 | -72.4 | 167.8 | 0 | 0 | 0 | 112.3 | V72 L100 I101 R106 L108 I123 F126 | V72-L104 HydrophobicContact CB-CD2 4.21Å; V72-L104 HydrophobicContact CG1-CD2 4.09Å; V72-L104 HydrophobicContact CG2-CD2 4.41Å; L100-L104 HydrophobicContact CD1-CD1 4.41Å; L100-L104 HydrophobicContact CD1-CG 4.47Å; L100-L104 HydrophobicContact CG-CD1 4.2Å; L100-L104 WeakPolarHBondContact O-CB 3.4Å; L100-L104 VanDerWaalsContact O-CG 3.3Å; L100-L104 WeakPolarHBondContact O-CG 3.41Å; L100-L104 PolarHBondContact O-N 3.28Å; I101-L104 PolarHBondContact O-N 3.01Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.31Å; L104-L108 VanDerWaalsContact O-CB 3.26Å; L104-L108 WeakPolarHBondContact O-CB 3.43Å; L104-L108 PolarHBondContact O-N 2.81Å; L104-I123 HydrophobicContact CB-CG2 4.08Å; L104-I123 HydrophobicContact CD2-CG1 4.2Å; L104-I123 HydrophobicContact CD2-CG2 4.24Å; L104-F126 HydrophobicContact CD1-CD1 3.75Å; L104-F126 HydrophobicContact CD1-CE1 3.6Å |
| 105 | Q | 96 | Very high | 96.1 | Very high | 17 Ų | 17 | 44 Ų | 44 | 8% | 0.079 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.1 | -33.4 | 174.1 | -73 | -141.2 | -89.4 | 0 | 0 | 113.3 | I101 E102 L103 K109 L265 S266 | I101-Q105 HydrophobicContact CG2-CG 4.5Å; I101-Q105 VanDerWaalsContact O-CG 3.29Å; I101-Q105 WeakPolarHBondContact O-CG 3.46Å; I101-Q105 PolarHBondContact O-N 2.8Å; E102-Q105 PolarHBondContact O-N 3.23Å; L103-Q105 VanDerWaalsContact C-N 3.32Å; L103-Q105 PolarHBondContact O-N 2.94Å; Q105-K109 WeakPolarHBondContact O-CG 3.46Å; Q105-K109 PolarHBondContact O-N 3.35Å; Q105-L265 HydrophobicContact CG-CD2 4.13Å; Q105-S266 PolarHBondContact NE2-O 3.02Å |
| 106 | R | 96.3 | Very high | 96 | Very high | 135 Ų | 135 | 43.1 Ų | 43.1 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -75.3 | -50 | 174.6 | -172 | -163.4 | 67.3 | -154.1 | -3.5 | 110.8 | E102 L103 L104 L108 K109 D110 | E102-R106 PolarHBondContact O-N 2.61Å; L103-R106 PolarHBondContact O-N 3.35Å; L103-R106 VanDerWaalsContact O-N 3.15Å; L104-R106 VanDerWaalsContact C-N 3.32Å; L104-R106 PolarHBondContact O-N 3.31Å; R106-L108 PolarHBondContact O-N 2.96Å; R106-K109 WeakPolarHBondContact O-CA 3.26Å; R106-K109 WeakPolarHBondContact O-CB 3.21Å; R106-K109 PolarHBondContact O-N 3.04Å; R106-D110 PolarHBondContact O-N 3.06Å |
| 107 | D | 96.7 | Very high | 95.9 | Very high | 26 Ų | 26 | 43.4 Ų | 43.4 | 14% | 0.139 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.1 | -35.9 | 178.2 | -74.5 | 18.2 | 0 | 0 | 0 | 110.8 | S69 K73 L103 D110 A111 I123 | S69-D107 PolarHBondContact OG-OD2 3.17Å; K73-D107 IonicContact NZ-OD2 2.81Å; K73-D107 PolarHBondContact NZ-OD2 3.23Å; L103-D107 WeakPolarHBondContact CD1-OD1 3.4Å; L103-D107 WeakPolarHBondContact O-CB 3.28Å; L103-D107 PolarHBondContact O-N 3.4Å; D107-D110 PolarHBondContact O-N 3.11Å; D107-A111 WeakPolarHBondContact O-CB 3.46Å; D107-A111 PolarHBondContact O-N 3.37Å; D107-I123 HydrophobicContact CB-CD1 4.13Å |
| 108 | L | 97.1 | Very high | 95.7 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.8 | -43.4 | 172.2 | 178.2 | 57.3 | 0 | 0 | 0 | 113.3 | L104 R106 D110 I112 A120 I123 V124 L127 L268 | L104-L108 VanDerWaalsContact O-CB 3.26Å; L104-L108 WeakPolarHBondContact O-CB 3.43Å; L104-L108 PolarHBondContact O-N 2.81Å; R106-L108 PolarHBondContact O-N 2.96Å; L108-D110 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 3.07Å; L108-I112 HydrophobicContact CD1-CD1 3.89Å; L108-I112 HydrophobicContact CD1-CG1 4.21Å; L108-I112 HydrophobicContact CG-CD1 4.25Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.34Å; L108-I112 VanDerWaalsContact O-N 3.13Å; L108-A120 HydrophobicContact CD1-CB 3.71Å; L108-I123 HydrophobicContact CB-CB 4.47Å; L108-I123 HydrophobicContact CB-CD1 4.18Å; L108-I123 HydrophobicContact CB-CG2 3.95Å; L108-I123 HydrophobicContact CD1-CB 4.47Å; L108-I123 HydrophobicContact CD2-CG2 4.34Å; L108-V124 HydrophobicContact CD1-CG2 3.78Å; L108-V124 HydrophobicContact CD2-CG2 3.71Å; L108-V124 HydrophobicContact CG-CG2 4.43Å; L108-L127 HydrophobicContact CD2-CD1 4.44Å; L108-L268 HydrophobicContact CD2-CD2 3.48Å; L108-L268 VanDerWaalsContact CD2-CD2 3.48Å; L108-L268 HydrophobicContact CG-CD2 3.81Å |
| 109 | K | 95.5 | Very high | 95.6 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 30% | 0.3 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 176.2 | -78.2 | 171.5 | 179 | 179.2 | 0 | 111.1 | Q105 R106 R113 L268 | Q105-K109 WeakPolarHBondContact O-CG 3.46Å; Q105-K109 PolarHBondContact O-N 3.35Å; R106-K109 WeakPolarHBondContact O-CA 3.26Å; R106-K109 WeakPolarHBondContact O-CB 3.21Å; R106-K109 PolarHBondContact O-N 3.04Å; K109-R113 WeakPolarHBondContact O-CB 3.44Å; K109-R113 VanDerWaalsContact O-CD 3.29Å; K109-R113 WeakPolarHBondContact O-CD 3.43Å; K109-R113 WeakPolarHBondContact O-CG 3.36Å; K109-R113 PolarHBondContact O-N 3.49Å; K109-L268 HydrophobicContact CD-CD1 4.13Å; K109-L268 VanDerWaalsContact CE-CD1 3.44Å; K109-L268 HydrophobicContact CG-CD1 3.47Å; K109-L268 VanDerWaalsContact CG-CD1 3.47Å |
| 110 | D | 95.3 | Very high | 95.6 | Very high | 70 Ų | 70 | 44.9 Ų | 44.9 | 37% | 0.374 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -80.4 | -30.5 | -176.9 | -62.5 | -27 | 0 | 0 | 0 | 112 | R106 D107 L108 R113 S114 | R106-D110 PolarHBondContact O-N 3.06Å; D107-D110 PolarHBondContact O-N 3.11Å; L108-D110 VanDerWaalsContact C-N 3.31Å; L108-D110 PolarHBondContact O-N 3.07Å; D110-R113 PolarHBondContact O-N 3.17Å; D110-R113 IonicContact OD1-NH1 3.59Å; D110-R113 PolarHBondContact OD1-NH1 2.67Å; D110-S114 VanDerWaalsContact O-CB 3.32Å; D110-S114 WeakPolarHBondContact O-CB 3.33Å; D110-S114 PolarHBondContact O-N 3.22Å; D110-S114 PolarHBondContact O-OG 3.24Å |
| 111 | A | 95.5 | Very high | 95.5 | Very high | 4 Ų | 4 | 46 Ų | 46 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -49.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D107 R113 S114 A115 N116 D119 A120 | D107-A111 WeakPolarHBondContact O-CB 3.46Å; D107-A111 PolarHBondContact O-N 3.37Å; A111-R113 VanDerWaalsContact C-N 3.34Å; A111-R113 PolarHBondContact O-N 2.77Å; A111-S114 PolarHBondContact O-N 3.01Å; A111-S114 PolarHBondContact O-OG 3.22Å; A111-A115 PolarHBondContact O-N 2.92Å; A111-N116 HydrophobicContact CB-CB 4.49Å; A111-N116 PolarHBondContact O-N 2.74Å; A111-D119 HydrophobicContact CB-CB 3.91Å; A111-A120 HydrophobicContact CB-CB 4.08Å |
| 112 | I | 93.8 | Very high | 95.5 | Very high | 8 Ų | 8 | 46 Ų | 46 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 177 | -63.5 | 169.4 | 0 | 0 | 0 | 110.6 | L108 S114 A115 A120 F148 W165 Y166 P271 | L108-I112 HydrophobicContact CD1-CD1 3.89Å; L108-I112 HydrophobicContact CD1-CG1 4.21Å; L108-I112 HydrophobicContact CG-CD1 4.25Å; L108-I112 WeakPolarHBondContact O-CG1 3.47Å; L108-I112 PolarHBondContact O-N 3.34Å; L108-I112 VanDerWaalsContact O-N 3.13Å; I112-S114 VanDerWaalsContact C-N 3.31Å; I112-S114 PolarHBondContact O-N 3.03Å; I112-A115 PolarHBondContact O-N 3.37Å; I112-A120 HydrophobicContact CG1-CB 3.84Å; I112-F148 HydrophobicContact CD1-CZ 4.22Å; I112-W165 HydrophobicContact CD1-CH2 4.38Å; I112-W165 HydrophobicContact CG1-CH2 4.08Å; I112-W165 HydrophobicContact CG1-CZ3 4.42Å; I112-Y166 WeakPolarHBondContact CG2-OH 3.28Å; I112-P271 HydrophobicContact CG2-CG 3.9Å |
| 113 | R | 91.8 | Very high | 95.6 | Very high | 170 Ų | 170 | 39.8 Ų | 39.8 | 64% | 0.642 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -66.9 | -26 | 178.2 | -74.1 | 168 | 173.5 | 168.7 | -7.7 | 114.8 | K109 D110 A111 P271 | K109-R113 WeakPolarHBondContact O-CB 3.44Å; K109-R113 VanDerWaalsContact O-CD 3.29Å; K109-R113 WeakPolarHBondContact O-CD 3.43Å; K109-R113 WeakPolarHBondContact O-CG 3.36Å; K109-R113 PolarHBondContact O-N 3.49Å; D110-R113 PolarHBondContact O-N 3.17Å; D110-R113 IonicContact OD1-NH1 3.59Å; D110-R113 PolarHBondContact OD1-NH1 2.67Å; A111-R113 VanDerWaalsContact C-N 3.34Å; A111-R113 PolarHBondContact O-N 2.77Å; R113-P271 HydrophobicContact CG-CG 4.18Å |
| 114 | S | 91.8 | Very high | 95.6 | Very high | 52 Ų | 52 | 38.7 Ų | 38.7 | 36% | 0.364 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 7.3 | 178.7 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | D110 A111 I112 N116 | D110-S114 VanDerWaalsContact O-CB 3.32Å; D110-S114 WeakPolarHBondContact O-CB 3.33Å; D110-S114 PolarHBondContact O-N 3.22Å; D110-S114 PolarHBondContact O-OG 3.24Å; A111-S114 PolarHBondContact O-N 3.01Å; A111-S114 PolarHBondContact O-OG 3.22Å; I112-S114 VanDerWaalsContact C-N 3.31Å; I112-S114 PolarHBondContact O-N 3.03Å; S114-N116 PolarHBondContact O-N 3.24Å |
| 115 | A | 93.4 | Very high | 95.6 | Very high | 24 Ų | 24 | 38.9 Ų | 38.9 | 20% | 0.198 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | 20 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A111 I112 F117 V277 V862 | A111-A115 PolarHBondContact O-N 2.92Å; I112-A115 PolarHBondContact O-N 3.37Å; A115-F117 HydrophobicContact CB-CD2 4.25Å; A115-F117 HydrophobicContact CB-CE2 3.68Å; A115-F117 HydrophobicContact CB-CZ 4.35Å; A115-F117 WeakPolarHBondContact O-CD2 3.48Å; A115-F117 PolarHBondContact O-N 2.84Å; A115-V277 HydrophobicContact CB-CG1 4.15Å; A115-V862 HydrophobicContact CB-CG2 4.43Å |
| 116 | N | 94.8 | Very high | 95.7 | Very high | 60 Ų | 60 | 38.1 Ų | 38.1 | 32% | 0.321 | 18% | 0.18 | S | C | . | . | trans | -82.2 | 74.3 | 168.7 | -168.8 | -4.4 | 0 | 0 | 0 | 110.4 | A111 S114 E118 D119 A120 | A111-N116 HydrophobicContact CB-CB 4.49Å; A111-N116 PolarHBondContact O-N 2.74Å; S114-N116 PolarHBondContact O-N 3.24Å; N116-E118 PolarHBondContact O-N 2.84Å; N116-E118 PolarHBondContact OD1-N 3.27Å; N116-D119 HydrophobicContact CB-CB 4.49Å; N116-D119 PolarHBondContact ND2-OD1 3.11Å; N116-D119 PolarHBondContact ND2-OD2 2.67Å; N116-D119 VanDerWaalsContact ND2-OD2 3.1Å; N116-D119 PolarHBondContact OD1-N 3.33Å; N116-A120 PolarHBondContact O-N 3.36Å | ||
| 117 | F | 95.5 | Very high | 95.8 | Very high | 11 Ų | 11 | 31.7 Ų | 31.7 | 5% | 0.048 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.2 | -11.6 | -179.3 | -65.7 | -67.7 | 0 | 0 | 0 | 114.1 | A115 K121 W165 V277 I278 Y279 P280 | A115-F117 HydrophobicContact CB-CD2 4.25Å; A115-F117 HydrophobicContact CB-CE2 3.68Å; A115-F117 HydrophobicContact CB-CZ 4.35Å; A115-F117 WeakPolarHBondContact O-CD2 3.48Å; A115-F117 PolarHBondContact O-N 2.84Å; F117-K121 WeakPolarHBondContact O-CB 3.39Å; F117-K121 PolarHBondContact O-N 3.32Å; F117-K121 VanDerWaalsContact O-N 3.12Å; F117-W165 HydrophobicContact CB-CZ2 4.14Å; F117-W165 AromaticContact CD1-CD2 3.74Å; F117-W165 HydrophobicContact CD1-CD2 3.74Å; F117-W165 AromaticContact CD1-CE2 3.65Å; F117-W165 AromaticContact CD1-CE3 3.9Å; F117-W165 HydrophobicContact CD1-CE3 3.9Å; F117-W165 HydrophobicContact CD1-CG 4.43Å; F117-W165 AromaticContact CD1-CH2 3.92Å; F117-W165 HydrophobicContact CD1-CH2 3.92Å; F117-W165 AromaticContact CD1-CZ2 3.75Å; F117-W165 HydrophobicContact CD1-CZ2 3.75Å; F117-W165 AromaticContact CD1-CZ3 3.98Å; F117-W165 HydrophobicContact CD1-CZ3 3.98Å; F117-W165 HydrophobicContact CE1-CD2 4.37Å; F117-W165 HydrophobicContact CE1-CE3 4.16Å; F117-W165 HydrophobicContact CE1-CZ3 4.26Å; F117-W165 HydrophobicContact CG-CD2 4.46Å; F117-W165 HydrophobicContact CG-CZ2 4.44Å; F117-V277 HydrophobicContact CE2-CG1 3.9Å; F117-V277 HydrophobicContact CZ-CG1 3.63Å; F117-I278 WeakPolarHBondContact CE2-O 3.43Å; F117-Y279 HydrophobicContact CD1-CD1 4.45Å; F117-Y279 AromaticContact CE1-CD1 3.65Å; F117-Y279 HydrophobicContact CE1-CD1 3.65Å; F117-Y279 AromaticContact CE1-CE1 3.64Å; F117-Y279 HydrophobicContact CE1-CE1 3.64Å; F117-Y279 AromaticContact CE2-CD1 3.9Å; F117-Y279 HydrophobicContact CE2-CD1 3.9Å; F117-Y279 HydrophobicContact CE2-CE1 4.29Å; F117-Y279 HydrophobicContact CE2-CG 4.27Å; F117-Y279 AromaticContact CZ-CD1 3.32Å; F117-Y279 HydrophobicContact CZ-CD1 3.32Å; F117-Y279 AromaticContact CZ-CE1 3.34Å; F117-Y279 HydrophobicContact CZ-CE1 3.34Å; F117-Y279 HydrophobicContact CZ-CG 4.08Å; F117-P280 HydrophobicContact CB-CG 3.64Å; F117-P280 HydrophobicContact CD2-CG 4.23Å; F117-P280 HydrophobicContact CG-CG 4.08Å |
| 118 | E | 93.1 | Very high | 95.8 | Very high | 96 Ų | 96 | 30.5 Ų | 30.5 | 45% | 0.449 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -82.9 | -48.9 | 176 | -147.8 | -166.8 | 174.6 | 0 | 0 | 111.8 | N116 A120 K121 Y122 | N116-E118 PolarHBondContact O-N 2.84Å; N116-E118 PolarHBondContact OD1-N 3.27Å; E118-A120 PolarHBondContact O-N 3.23Å; E118-K121 WeakPolarHBondContact O-CB 3.45Å; E118-K121 PolarHBondContact O-N 2.71Å; E118-K121 VanDerWaalsContact O-N 3.08Å; E118-Y122 HydrophobicContact CG-CD2 4.23Å; E118-Y122 HydrophobicContact CG-CE2 3.48Å; E118-Y122 VanDerWaalsContact CG-CE2 3.48Å; E118-Y122 WeakPolarHBondContact O-CD2 3.45Å; E118-Y122 PolarHBondContact O-N 3.46Å; E118-Y122 WeakPolarHBondContact OE1-CE2 3.31Å; E118-Y122 VanDerWaalsContact OE1-CZ 3.31Å; E118-Y122 PolarHBondContact OE1-OH 2.89Å |
| 119 | D | 95.6 | Very high | 95.8 | Very high | 38 Ų | 38 | 30.4 Ų | 30.4 | 20% | 0.203 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -51.6 | -47.2 | 169.1 | -78.6 | 25.5 | 0 | 0 | 0 | 110.1 | K73 A111 N116 K121 Y122 I123 | K73-D119 HydrophobicContact CD-CB 4.19Å; K73-D119 WeakPolarHBondContact CD-OD2 3.39Å; K73-D119 HydrophobicContact CG-CB 4.26Å; A111-D119 HydrophobicContact CB-CB 3.91Å; N116-D119 HydrophobicContact CB-CB 4.49Å; N116-D119 PolarHBondContact ND2-OD1 3.11Å; N116-D119 PolarHBondContact ND2-OD2 2.67Å; N116-D119 VanDerWaalsContact ND2-OD2 3.1Å; N116-D119 PolarHBondContact OD1-N 3.33Å; D119-K121 PolarHBondContact O-N 3.28Å; D119-Y122 PolarHBondContact O-N 2.84Å; D119-I123 WeakPolarHBondContact O-CD1 3.27Å; D119-I123 WeakPolarHBondContact O-CG1 3.25Å; D119-I123 PolarHBondContact O-N 3.35Å |
| 120 | A | 97.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.2 | -40.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L108 A111 I112 N116 E118 V124 W165 | L108-A120 HydrophobicContact CD1-CB 3.71Å; A111-A120 HydrophobicContact CB-CB 4.08Å; I112-A120 HydrophobicContact CG1-CB 3.84Å; N116-A120 PolarHBondContact O-N 3.36Å; E118-A120 PolarHBondContact O-N 3.23Å; A120-V124 WeakPolarHBondContact O-CG2 3.37Å; A120-V124 PolarHBondContact O-N 3.25Å; A120-V124 VanDerWaalsContact O-N 3.15Å; A120-W165 HydrophobicContact CB-CH2 3.71Å; A120-W165 HydrophobicContact CB-CZ2 3.73Å |
| 121 | K | 97.3 | Very high | 96 | Very high | 25 Ų | 25 | 24 Ų | 24 | 11% | 0.109 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.2 | -53.1 | 173.7 | -176.9 | -176.4 | 71.1 | 159.3 | 0 | 110.7 | F117 E118 D119 V124 L125 Y168 V169 Y172 E335 | F117-K121 WeakPolarHBondContact O-CB 3.39Å; F117-K121 PolarHBondContact O-N 3.32Å; F117-K121 VanDerWaalsContact O-N 3.12Å; E118-K121 WeakPolarHBondContact O-CB 3.45Å; E118-K121 PolarHBondContact O-N 2.71Å; E118-K121 VanDerWaalsContact O-N 3.08Å; D119-K121 PolarHBondContact O-N 3.28Å; K121-V124 PolarHBondContact O-N 3.03Å; K121-L125 WeakPolarHBondContact O-CB 3.33Å; K121-L125 PolarHBondContact O-N 3.13Å; K121-Y168 HydrophobicContact CD-CE1 3.87Å; K121-V169 HydrophobicContact CB-CG2 4.47Å; K121-V169 HydrophobicContact CG-CG2 4.44Å; K121-Y172 HydrophobicContact CD-CD1 3.9Å; K121-Y172 HydrophobicContact CD-CE1 3.81Å; K121-Y172 HydrophobicContact CG-CD1 3.93Å; K121-Y172 HydrophobicContact CG-CE1 4.04Å; K121-E335 IonicContact NZ-OE1 3.59Å; K121-E335 PolarHBondContact NZ-OE1 3.09Å |
| 122 | Y | 97.5 | Very high | 96 | Very high | 5 Ų | 5 | 24.9 Ų | 24.9 | 2% | 0.02 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -73 | -31.9 | -175 | -58.5 | -50.4 | 0 | 0 | 0 | 113.6 | V72 K73 P76 E118 D119 L125 F126 I339 | V72-Y122 WeakPolarHBondContact O-CB 3.32Å; K73-Y122 WeakPolarHBondContact O-CD2 3.38Å; P76-Y122 HydrophobicContact CB-CD1 3.48Å; P76-Y122 VanDerWaalsContact CB-CD1 3.48Å; P76-Y122 HydrophobicContact CB-CD2 4.01Å; P76-Y122 HydrophobicContact CB-CE1 3.59Å; P76-Y122 HydrophobicContact CB-CE2 4.1Å; P76-Y122 HydrophobicContact CB-CG 3.73Å; P76-Y122 HydrophobicContact CG-CD1 4.12Å; P76-Y122 HydrophobicContact CG-CD2 3.93Å; P76-Y122 HydrophobicContact CG-CE1 3.87Å; P76-Y122 HydrophobicContact CG-CE2 3.66Å; P76-Y122 HydrophobicContact CG-CG 4.19Å; E118-Y122 HydrophobicContact CG-CD2 4.23Å; E118-Y122 HydrophobicContact CG-CE2 3.48Å; E118-Y122 VanDerWaalsContact CG-CE2 3.48Å; E118-Y122 WeakPolarHBondContact O-CD2 3.45Å; E118-Y122 PolarHBondContact O-N 3.46Å; E118-Y122 WeakPolarHBondContact OE1-CE2 3.31Å; E118-Y122 VanDerWaalsContact OE1-CZ 3.31Å; E118-Y122 PolarHBondContact OE1-OH 2.89Å; D119-Y122 PolarHBondContact O-N 2.84Å; Y122-L125 HydrophobicContact CD1-CD2 4.48Å; Y122-L125 PolarHBondContact O-N 2.64Å; Y122-F126 VanDerWaalsContact O-CB 3.32Å; Y122-F126 WeakPolarHBondContact O-CB 3.44Å; Y122-F126 PolarHBondContact O-N 3.49Å; Y122-I339 HydrophobicContact CE1-CD1 4.04Å |
| 123 | I | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -64.1 | -46.1 | 173.1 | -62.7 | 160.4 | 0 | 0 | 0 | 110.6 | V72 K73 L104 D107 L108 D119 L125 F126 L127 | V72-I123 HydrophobicContact CG1-CG1 4.35Å; K73-I123 HydrophobicContact CD-CD1 4.09Å; K73-I123 HydrophobicContact CD-CG1 4.38Å; K73-I123 HydrophobicContact CG-CD1 4.21Å; K73-I123 HydrophobicContact CG-CG1 3.99Å; L104-I123 HydrophobicContact CB-CG2 4.08Å; L104-I123 HydrophobicContact CD2-CG1 4.2Å; L104-I123 HydrophobicContact CD2-CG2 4.24Å; D107-I123 HydrophobicContact CB-CD1 4.13Å; L108-I123 HydrophobicContact CB-CB 4.47Å; L108-I123 HydrophobicContact CB-CD1 4.18Å; L108-I123 HydrophobicContact CB-CG2 3.95Å; L108-I123 HydrophobicContact CD1-CB 4.47Å; L108-I123 HydrophobicContact CD2-CG2 4.34Å; D119-I123 WeakPolarHBondContact O-CD1 3.27Å; D119-I123 WeakPolarHBondContact O-CG1 3.25Å; D119-I123 PolarHBondContact O-N 3.35Å; I123-L125 PolarHBondContact O-N 3.37Å; I123-F126 PolarHBondContact O-N 3.2Å; I123-L127 HydrophobicContact CG2-CD1 4.04Å; I123-L127 HydrophobicContact CG2-CG 4.43Å; I123-L127 VanDerWaalsContact O-CG 3.29Å; I123-L127 WeakPolarHBondContact O-CG 3.41Å; I123-L127 PolarHBondContact O-N 2.85Å |
| 124 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.5 | -40.4 | 178.2 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | L108 A120 K121 F126 L127 S128 L144 Y145 F148 V169 | L108-V124 HydrophobicContact CD1-CG2 3.78Å; L108-V124 HydrophobicContact CD2-CG2 3.71Å; L108-V124 HydrophobicContact CG-CG2 4.43Å; A120-V124 WeakPolarHBondContact O-CG2 3.37Å; A120-V124 PolarHBondContact O-N 3.25Å; A120-V124 VanDerWaalsContact O-N 3.15Å; K121-V124 PolarHBondContact O-N 3.03Å; V124-F126 PolarHBondContact O-N 2.87Å; V124-L127 PolarHBondContact O-N 3.12Å; V124-S128 WeakPolarHBondContact O-CB 3.37Å; V124-S128 PolarHBondContact O-N 3.37Å; V124-S128 PolarHBondContact O-OG 2.94Å; V124-L144 HydrophobicContact CG1-CD2 4.2Å; V124-Y145 HydrophobicContact CG1-CE1 4.47Å; V124-F148 HydrophobicContact CG2-CE2 3.96Å; V124-F148 HydrophobicContact CG2-CZ 4.23Å; V124-V169 HydrophobicContact CB-CG1 3.7Å; V124-V169 HydrophobicContact CG1-CG1 3.54Å; V124-V169 HydrophobicContact CG2-CG1 4.1Å |
| 125 | L | 97.8 | Very high | 96.5 | Very high | 5 Ų | 5 | 16.4 Ų | 16.4 | 3% | 0.026 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -59.6 | -45.4 | 174.1 | -170.1 | 68.6 | 0 | 0 | 0 | 111.5 | I79 K121 Y122 I123 L127 S128 V129 Y172 Y176 | I79-L125 HydrophobicContact CD1-CB 3.91Å; I79-L125 HydrophobicContact CD1-CD2 3.67Å; I79-L125 HydrophobicContact CD1-CG 3.78Å; K121-L125 WeakPolarHBondContact O-CB 3.33Å; K121-L125 PolarHBondContact O-N 3.13Å; Y122-L125 HydrophobicContact CD1-CD2 4.48Å; Y122-L125 PolarHBondContact O-N 2.64Å; I123-L125 PolarHBondContact O-N 3.37Å; L125-L127 PolarHBondContact O-N 2.9Å; L125-S128 WeakPolarHBondContact O-CB 3.5Å; L125-S128 PolarHBondContact O-N 3.31Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 3.43Å; L125-Y172 HydrophobicContact CD1-CD1 4.14Å; L125-Y172 HydrophobicContact CD1-CD2 3.99Å; L125-Y172 HydrophobicContact CD1-CE1 4.16Å; L125-Y172 HydrophobicContact CD1-CE2 4.02Å; L125-Y172 HydrophobicContact CD1-CG 4.05Å; L125-Y172 WeakPolarHBondContact CD1-O 3.4Å; L125-Y172 HydrophobicContact CD2-CD1 4.35Å; L125-Y172 HydrophobicContact CD2-CE1 3.6Å; L125-Y172 HydrophobicContact CD2-CE2 4.09Å; L125-Y172 VanDerWaalsContact CD2-CZ 3.44Å; L125-Y172 WeakPolarHBondContact CD2-OH 3.49Å; L125-Y172 HydrophobicContact CG-CE1 4.41Å; L125-Y176 HydrophobicContact CD1-CD2 3.75Å; L125-Y176 HydrophobicContact CD1-CE2 3.73Å |
| 126 | F | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 177.6 | 176.9 | -94.4 | 0 | 0 | 0 | 112.3 | V72 I79 A83 V86 L104 Y122 I123 V124 S128 V129 S130 | V72-F126 HydrophobicContact CB-CG 4.43Å; V72-F126 HydrophobicContact CG1-CB 3.56Å; V72-F126 HydrophobicContact CG1-CD1 4.29Å; V72-F126 HydrophobicContact CG1-CD2 4.24Å; V72-F126 HydrophobicContact CG1-CG 3.78Å; V72-F126 HydrophobicContact CG2-CB 4.42Å; V72-F126 HydrophobicContact CG2-CD1 4.03Å; V72-F126 HydrophobicContact CG2-CD2 3.55Å; V72-F126 HydrophobicContact CG2-CE1 4.17Å; V72-F126 HydrophobicContact CG2-CE2 3.68Å; V72-F126 HydrophobicContact CG2-CG 3.73Å; V72-F126 HydrophobicContact CG2-CZ 4Å; I79-F126 HydrophobicContact CD1-CB 3.91Å; I79-F126 HydrophobicContact CG1-CB 4.03Å; I79-F126 HydrophobicContact CG1-CD2 3.96Å; A83-F126 HydrophobicContact CB-CD2 4.33Å; A83-F126 HydrophobicContact CB-CE2 3.98Å; V86-F126 HydrophobicContact CB-CZ 4.23Å; V86-F126 HydrophobicContact CG1-CZ 4.41Å; V86-F126 HydrophobicContact CG2-CZ 4.13Å; L104-F126 HydrophobicContact CD1-CD1 3.75Å; L104-F126 HydrophobicContact CD1-CE1 3.6Å; Y122-F126 VanDerWaalsContact O-CB 3.32Å; Y122-F126 WeakPolarHBondContact O-CB 3.44Å; Y122-F126 PolarHBondContact O-N 3.49Å; I123-F126 PolarHBondContact O-N 3.2Å; V124-F126 PolarHBondContact O-N 2.87Å; F126-S128 VanDerWaalsContact C-N 3.29Å; F126-S128 PolarHBondContact O-N 2.88Å; F126-V129 PolarHBondContact O-N 2.95Å; F126-S130 VanDerWaalsContact O-CB 3.23Å; F126-S130 WeakPolarHBondContact O-CB 3.27Å; F126-S130 PolarHBondContact O-N 3.13Å; F126-S130 PolarHBondContact O-OG 3.48Å |
| 127 | L | 98 | Very high | 96.8 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63 | -37.7 | 175.5 | -68.6 | 171.6 | 0 | 0 | 0 | 111.4 | I101 L108 I123 V124 L125 S130 V136 I141 L265 | I101-L127 HydrophobicContact CD1-CD2 3.89Å; L108-L127 HydrophobicContact CD2-CD1 4.44Å; I123-L127 HydrophobicContact CG2-CD1 4.04Å; I123-L127 HydrophobicContact CG2-CG 4.43Å; I123-L127 VanDerWaalsContact O-CG 3.29Å; I123-L127 WeakPolarHBondContact O-CG 3.41Å; I123-L127 PolarHBondContact O-N 2.85Å; V124-L127 PolarHBondContact O-N 3.12Å; L125-L127 PolarHBondContact O-N 2.9Å; L127-S130 PolarHBondContact O-N 2.91Å; L127-V136 HydrophobicContact CD2-CG2 3.99Å; L127-I141 HydrophobicContact CB-CD1 3.92Å; L127-L265 HydrophobicContact CD1-CD1 4.27Å; L127-L265 HydrophobicContact CD2-CD2 4.14Å |
| 128 | S | 97.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -67.7 | -45 | 176.4 | -56.4 | 0 | 0 | 0 | 0 | 112.4 | V124 L125 F126 S130 V131 Y145 | V124-S128 WeakPolarHBondContact O-CB 3.37Å; V124-S128 PolarHBondContact O-N 3.37Å; V124-S128 PolarHBondContact O-OG 2.94Å; L125-S128 WeakPolarHBondContact O-CB 3.5Å; L125-S128 PolarHBondContact O-N 3.31Å; F126-S128 VanDerWaalsContact C-N 3.29Å; F126-S128 PolarHBondContact O-N 2.88Å; S128-S130 VanDerWaalsContact C-N 3.32Å; S128-S130 PolarHBondContact O-N 3.48Å; S128-V131 WeakPolarHBondContact O-CG2 3.43Å; S128-V131 PolarHBondContact O-N 3.39Å; S128-Y145 VanDerWaalsContact CB-OH 3.26Å; S128-Y145 WeakPolarHBondContact CB-OH 3.34Å; S128-Y145 PolarHBondContact OG-OH 2.91Å |
| 129 | V | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.5 | -40.7 | 173 | 172.7 | 0 | 0 | 0 | 0 | 110.9 | L80 A83 L125 F126 V131 N132 Y176 | L80-V129 HydrophobicContact CD2-CG1 3.67Å; L80-V129 HydrophobicContact CD2-CG2 3.99Å; A83-V129 HydrophobicContact CB-CB 4.33Å; A83-V129 HydrophobicContact CB-CG1 3.46Å; A83-V129 VanDerWaalsContact CB-CG1 3.46Å; L125-V129 WeakPolarHBondContact O-CG2 3.46Å; L125-V129 PolarHBondContact O-N 3.43Å; F126-V129 PolarHBondContact O-N 2.95Å; V129-V131 PolarHBondContact O-N 2.89Å; V129-N132 WeakPolarHBondContact O-CB 3.46Å; V129-N132 PolarHBondContact O-N 3.45Å; V129-N132 PolarHBondContact O-ND2 2.95Å; V129-Y176 HydrophobicContact CG2-CD1 3.81Å; V129-Y176 HydrophobicContact CG2-CD2 4.33Å; V129-Y176 HydrophobicContact CG2-CE1 4.44Å; V129-Y176 HydrophobicContact CG2-CG 3.73Å |
| 130 | S | 97.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -10.3 | -177 | -66.8 | 0 | 0 | 0 | 0 | 114.9 | F126 L127 S128 C133 H134 T135 V136 | F126-S130 VanDerWaalsContact O-CB 3.23Å; F126-S130 WeakPolarHBondContact O-CB 3.27Å; F126-S130 PolarHBondContact O-N 3.13Å; F126-S130 PolarHBondContact O-OG 3.48Å; L127-S130 PolarHBondContact O-N 2.91Å; S128-S130 VanDerWaalsContact C-N 3.32Å; S128-S130 PolarHBondContact O-N 3.48Å; S130-C133 CarbonylContact O-C 3.51Å; S130-C133 PolarHBondContact O-N 3.24Å; S130-H134 PolarHBondContact O-N 3.11Å; S130-T135 PolarHBondContact O-N 2.95Å; S130-V136 PolarHBondContact O-N 2.91Å |
| 131 | V | 96.9 | Very high | 97.2 | Very high | 5 Ų | 5 | 14.4 Ų | 14.4 | 3% | 0.03 | 8% | 0.076 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -42 | 167.6 | -178.1 | 0 | 0 | 0 | 0 | 111 | S128 V129 C133 H134 K138 I141 L180 | S128-V131 WeakPolarHBondContact O-CG2 3.43Å; S128-V131 PolarHBondContact O-N 3.39Å; V129-V131 PolarHBondContact O-N 2.89Å; V131-C133 VanDerWaalsContact C-N 3.26Å; V131-C133 PolarHBondContact O-N 2.77Å; V131-H134 PolarHBondContact O-N 2.86Å; V131-H134 VanDerWaalsContact O-N 3.09Å; V131-K138 HydrophobicContact CG1-CG 3.75Å; V131-I141 HydrophobicContact CG2-CB 4.28Å; V131-I141 HydrophobicContact CG2-CG1 3.49Å; V131-I141 VanDerWaalsContact CG2-CG1 3.49Å; V131-L180 HydrophobicContact CG1-CB 4.14Å; V131-L180 HydrophobicContact CG1-CD1 3.99Å |
| 132 | N | 95.5 | Very high | 97.3 | Very high | 22 Ų | 22 | 13.6 Ų | 13.6 | 12% | 0.118 | 7% | 0.073 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -29 | 176.4 | -60 | -82.7 | 0 | 0 | 0 | 112.3 | V129 H134 Y176 L180 Y250 | V129-N132 WeakPolarHBondContact O-CB 3.46Å; V129-N132 PolarHBondContact O-N 3.45Å; V129-N132 PolarHBondContact O-ND2 2.95Å; N132-H134 PolarHBondContact O-CD2 3.19Å; N132-H134 PolarHBondContact O-N 2.87Å; N132-Y176 PolarHBondContact ND2-O 3.35Å; N132-L180 HydrophobicContact CB-CD1 4.24Å; N132-L180 WeakPolarHBondContact OD1-CD1 3.37Å; N132-Y250 HydrophobicContact CB-CD1 4.26Å; N132-Y250 HydrophobicContact CB-CD2 3.93Å; N132-Y250 HydrophobicContact CB-CE1 3.89Å; N132-Y250 HydrophobicContact CB-CE2 3.53Å; N132-Y250 HydrophobicContact CB-CG 4.28Å; N132-Y250 VanDerWaalsContact CB-CZ 3.48Å |
| 133 | C | 96.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.007 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 15.2 | 174.4 | -57.8 | 0 | 0 | 0 | 0 | 112.6 | A83 S130 V131 T135 | A83-C133 PolarHBondContact O-SG 3.37Å; S130-C133 CarbonylContact O-C 3.51Å; S130-C133 PolarHBondContact O-N 3.24Å; V131-C133 VanDerWaalsContact C-N 3.26Å; V131-C133 PolarHBondContact O-N 2.77Å; C133-T135 PolarHBondContact O-N 2.96Å; C133-T135 PolarHBondContact O-OG1 3.45Å |
| 134 | H | 95.8 | Very high | 97.2 | Very high | 52 Ų | 52 | 14.9 Ų | 14.9 | 24% | 0.241 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.8 | 33.9 | 179.4 | -73.1 | -117.5 | 0 | 0 | 0 | 114.1 | S130 V131 N132 L256 P262 | S130-H134 PolarHBondContact O-N 3.11Å; V131-H134 PolarHBondContact O-N 2.86Å; V131-H134 VanDerWaalsContact O-N 3.09Å; N132-H134 PolarHBondContact O-CD2 3.19Å; N132-H134 PolarHBondContact O-N 2.87Å; H134-L256 VanDerWaalsContact CB-O 3.23Å; H134-L256 WeakPolarHBondContact CB-O 3.25Å; H134-P262 WeakPolarHBondContact O-CA 3.44Å; H134-P262 WeakPolarHBondContact O-CB 3.32Å |
| 135 | T | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -105.6 | -29.4 | -174.3 | -67.2 | 0 | 0 | 0 | 0 | 112.1 | V86 G87 V97 I101 S130 C133 P262 H263 | V86-T135 HydrophobicContact CG1-CG2 4.19Å; G87-T135 WeakPolarHBondContact CA-OG1 3.41Å; V97-T135 HydrophobicContact CG1-CG2 3.71Å; I101-T135 HydrophobicContact CD1-CG2 4.36Å; S130-T135 PolarHBondContact O-N 2.95Å; C133-T135 PolarHBondContact O-N 2.96Å; C133-T135 PolarHBondContact O-OG1 3.45Å; T135-P262 WeakPolarHBondContact O-CA 3.29Å; T135-H263 PolarHBondContact O-CD2 3.48Å; T135-H263 PolarHBondContact O-N 3.37Å | ||
| 136 | V | 97.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.012 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -120.9 | 140.8 | 176.2 | -179 | 0 | 0 | 0 | 0 | 110.1 | I101 L127 S130 I141 L265 | I101-V136 HydrophobicContact CD1-CG2 3.8Å; L127-V136 HydrophobicContact CD2-CG2 3.99Å; S130-V136 PolarHBondContact O-N 2.91Å; V136-I141 HydrophobicContact CG1-CD1 3.83Å; V136-I141 HydrophobicContact CG1-CG1 4Å; V136-L265 HydrophobicContact CG1-CD1 3.9Å; V136-L265 HydrophobicContact CG1-CD2 3.96Å; V136-L265 HydrophobicContact CG1-CG 3.77Å |
| 137 | Q | 97.3 | Very high | 97.2 | Very high | 70 Ų | 70 | 20.9 Ų | 20.9 | 33% | 0.327 | 11% | 0.114 | S | C | . | . | trans | -71.5 | 136.8 | -178.5 | -74.1 | 176.8 | 13.1 | 0 | 0 | 112.3 | A139 S140 I141 P262 H263 | Q137-A139 PolarHBondContact O-N 3.46Å; Q137-S140 WeakPolarHBondContact O-CA 3.49Å; Q137-S140 VanDerWaalsContact O-CB 3.32Å; Q137-S140 WeakPolarHBondContact O-CB 3.31Å; Q137-S140 PolarHBondContact O-N 3.17Å; Q137-I141 PolarHBondContact O-N 2.69Å; Q137-P262 HydrophobicContact CG-CB 3.82Å; Q137-P262 HydrophobicContact CG-CG 3.85Å; Q137-P262 PolarHBondContact NE2-O 2.9Å; Q137-H263 WeakPolarHBondContact CG-O 3.19Å; Q137-H263 PolarHBondContact N-O 3.37Å | ||
| 138 | K | 97.6 | Very high | 97.1 | Very high | 56 Ų | 56 | 20.9 Ų | 20.9 | 24% | 0.243 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -53.5 | -49 | 177.3 | -61.3 | -176.1 | 175.5 | -161.8 | 0 | 112.7 | V131 S140 I141 L142 L180 L181 Y184 | V131-K138 HydrophobicContact CG1-CG 3.75Å; K138-S140 PolarHBondContact O-N 2.94Å; K138-I141 PolarHBondContact O-N 2.78Å; K138-I141 VanDerWaalsContact O-N 3.08Å; K138-L142 PolarHBondContact O-N 2.96Å; K138-L180 WeakPolarHBondContact CD-O 3.42Å; K138-L180 VanDerWaalsContact CE-O 3.31Å; K138-L180 WeakPolarHBondContact CE-O 3.39Å; K138-L180 PolarHBondContact NZ-O 3.34Å; K138-L181 HydrophobicContact CB-CD2 3.96Å; K138-L181 HydrophobicContact CG-CD2 4.42Å; K138-Y184 HydrophobicContact CB-CD1 3.88Å; K138-Y184 HydrophobicContact CB-CD2 4.43Å; K138-Y184 HydrophobicContact CB-CE1 4.33Å; K138-Y184 HydrophobicContact CB-CG 3.95Å; K138-Y184 VanDerWaalsContact CD-CB 3.4Å; K138-Y184 HydrophobicContact CD-CD1 4.4Å; K138-Y184 HydrophobicContact CD-CD2 3.92Å; K138-Y184 HydrophobicContact CD-CG 3.65Å; K138-Y184 HydrophobicContact CG-CG 4.48Å |
| 139 | A | 97.7 | Very high | 97.1 | Very high | 44 Ų | 44 | 21 Ų | 21 | 36% | 0.364 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -59.2 | -29.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q137 G143 Y184 | Q137-A139 PolarHBondContact O-N 3.46Å; A139-G143 PolarHBondContact O-N 3.23Å; A139-Y184 HydrophobicContact CB-CE1 3.96Å |
| 140 | S | 97.3 | Very high | 96.9 | Very high | 14 Ų | 14 | 25.9 Ų | 25.9 | 10% | 0.098 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -74.9 | -27.5 | 176.1 | -72.6 | 0 | 0 | 0 | 0 | 113.7 | Q137 K138 L144 L265 | Q137-S140 WeakPolarHBondContact O-CA 3.49Å; Q137-S140 VanDerWaalsContact O-CB 3.32Å; Q137-S140 WeakPolarHBondContact O-CB 3.31Å; Q137-S140 PolarHBondContact O-N 3.17Å; K138-S140 PolarHBondContact O-N 2.94Å; S140-L144 WeakPolarHBondContact O-CB 3.41Å; S140-L144 PolarHBondContact O-N 3.22Å; S140-L265 PolarHBondContact OG-N 3.1Å |
| 141 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -80.9 | -38.2 | 171.9 | -61.2 | -54.7 | 0 | 0 | 0 | 111 | L127 V131 V136 Q137 K138 L144 Y145 L181 L265 | L127-I141 HydrophobicContact CB-CD1 3.92Å; V131-I141 HydrophobicContact CG2-CB 4.28Å; V131-I141 HydrophobicContact CG2-CG1 3.49Å; V131-I141 VanDerWaalsContact CG2-CG1 3.49Å; V136-I141 HydrophobicContact CG1-CD1 3.83Å; V136-I141 HydrophobicContact CG1-CG1 4Å; Q137-I141 PolarHBondContact O-N 2.69Å; K138-I141 PolarHBondContact O-N 2.78Å; K138-I141 VanDerWaalsContact O-N 3.08Å; I141-L144 HydrophobicContact CD1-CD2 4.34Å; I141-L144 PolarHBondContact O-N 3.37Å; I141-Y145 HydrophobicContact CG2-CD1 4.18Å; I141-Y145 HydrophobicContact CG2-CD2 4.15Å; I141-Y145 HydrophobicContact CG2-CE1 3.7Å; I141-Y145 HydrophobicContact CG2-CE2 3.68Å; I141-Y145 HydrophobicContact CG2-CG 4.38Å; I141-Y145 VanDerWaalsContact CG2-CZ 3.42Å; I141-Y145 PolarHBondContact O-N 3.43Å; I141-L181 HydrophobicContact CB-CD2 4.33Å; I141-L181 HydrophobicContact CG2-CD1 3.93Å; I141-L265 HydrophobicContact CD1-CD1 3.9Å |
| 142 | L | 97.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 26.8 Ų | 26.8 | 5% | 0.047 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.5 | -53.1 | 170.6 | -77.7 | 166.8 | 0 | 0 | 0 | 111.2 | K138 L144 Y145 E146 L181 Y184 D185 A188 L189 I192 | K138-L142 PolarHBondContact O-N 2.96Å; L142-L144 VanDerWaalsContact C-N 3.25Å; L142-L144 PolarHBondContact O-N 2.87Å; L142-Y145 PolarHBondContact O-N 3.46Å; L142-Y145 VanDerWaalsContact O-N 3.14Å; L142-E146 WeakPolarHBondContact O-CB 3.32Å; L142-E146 PolarHBondContact O-N 3.37Å; L142-L181 HydrophobicContact CD2-CB 4.23Å; L142-L181 HydrophobicContact CD2-CD1 4.26Å; L142-L181 HydrophobicContact CG-CB 4.43Å; L142-L181 HydrophobicContact CG-CD1 4.4Å; L142-L181 HydrophobicContact CG-CD2 4.27Å; L142-Y184 HydrophobicContact CD1-CD1 3.86Å; L142-Y184 HydrophobicContact CD1-CE1 4.17Å; L142-D185 HydrophobicContact CD1-CB 3.91Å; L142-A188 HydrophobicContact CD1-CB 4.41Å; L142-A188 HydrophobicContact CD2-CB 4.33Å; L142-L189 HydrophobicContact CD2-CB 4.07Å; L142-L189 HydrophobicContact CD2-CD1 4.47Å; L142-I192 HydrophobicContact CD2-CD1 4.1Å |
| 143 | G | 97.6 | Very high | 96.4 | Very high | 21 Ų | 21 | 31.6 Ų | 31.6 | 22% | 0.216 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.1 | -27.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | A139 N147 | A139-G143 PolarHBondContact O-N 3.23Å; G143-N147 WeakPolarHBondContact O-CB 3.46Å; G143-N147 PolarHBondContact O-N 2.76Å; G143-N147 VanDerWaalsContact O-N 3.1Å; G143-N147 PolarHBondContact O-ND2 3.13Å |
| 144 | L | 97.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 35.5 Ų | 35.5 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.5 | -45.8 | 172.4 | 176.8 | 62.9 | 0 | 0 | 0 | 111.5 | V124 S140 I141 L142 E146 F148 L268 | V124-L144 HydrophobicContact CG1-CD2 4.2Å; S140-L144 WeakPolarHBondContact O-CB 3.41Å; S140-L144 PolarHBondContact O-N 3.22Å; I141-L144 HydrophobicContact CD1-CD2 4.34Å; I141-L144 PolarHBondContact O-N 3.37Å; L142-L144 VanDerWaalsContact C-N 3.25Å; L142-L144 PolarHBondContact O-N 2.87Å; L144-E146 VanDerWaalsContact C-N 3.34Å; L144-F148 HydrophobicContact CD1-CD1 4.05Å; L144-F148 HydrophobicContact CD1-CE1 3.61Å; L144-F148 HydrophobicContact CD1-CE2 4.47Å; L144-F148 HydrophobicContact CD1-CZ 3.86Å; L144-F148 WeakPolarHBondContact O-CB 3.43Å; L144-F148 WeakPolarHBondContact O-CD1 3.16Å; L144-F148 WeakPolarHBondContact O-CG 3.14Å; L144-F148 PolarHBondContact O-N 3.35Å; L144-F148 VanDerWaalsContact O-N 3.08Å; L144-L268 HydrophobicContact CD1-CB 4.08Å; L144-L268 HydrophobicContact CD1-CD2 3.85Å; L144-L268 HydrophobicContact CD1-CG 4.35Å |
| 145 | Y | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.6 | -34.9 | 176 | -66.9 | -9.9 | 0 | 0 | 0 | 112.1 | V124 S128 I141 L142 F148 A149 I170 G173 L174 S177 L181 | V124-Y145 HydrophobicContact CG1-CE1 4.47Å; S128-Y145 VanDerWaalsContact CB-OH 3.26Å; S128-Y145 WeakPolarHBondContact CB-OH 3.34Å; S128-Y145 PolarHBondContact OG-OH 2.91Å; I141-Y145 HydrophobicContact CG2-CD1 4.18Å; I141-Y145 HydrophobicContact CG2-CD2 4.15Å; I141-Y145 HydrophobicContact CG2-CE1 3.7Å; I141-Y145 HydrophobicContact CG2-CE2 3.68Å; I141-Y145 HydrophobicContact CG2-CG 4.38Å; I141-Y145 VanDerWaalsContact CG2-CZ 3.42Å; I141-Y145 PolarHBondContact O-N 3.43Å; L142-Y145 PolarHBondContact O-N 3.46Å; L142-Y145 VanDerWaalsContact O-N 3.14Å; Y145-F148 PolarHBondContact O-N 3.2Å; Y145-A149 VanDerWaalsContact O-CB 3.26Å; Y145-A149 WeakPolarHBondContact O-CB 3.43Å; Y145-A149 PolarHBondContact O-N 2.97Å; Y145-I170 HydrophobicContact CD1-CB 4.47Å; Y145-I170 HydrophobicContact CD1-CG1 4.12Å; Y145-I170 HydrophobicContact CD1-CG2 4.24Å; Y145-I170 HydrophobicContact CD2-CG2 4Å; Y145-I170 HydrophobicContact CE2-CG2 4.47Å; Y145-I170 HydrophobicContact CG-CG1 4.29Å; Y145-I170 HydrophobicContact CG-CG2 3.88Å; Y145-I170 WeakPolarHBondContact O-CD1 3.34Å; Y145-G173 WeakPolarHBondContact OH-CA 3.42Å; Y145-L174 HydrophobicContact CD2-CD2 4.35Å; Y145-L174 HydrophobicContact CE2-CD2 3.85Å; Y145-L174 HydrophobicContact CE2-CG 4.42Å; Y145-S177 PolarHBondContact OH-OG 3.19Å; Y145-L181 HydrophobicContact CD2-CD1 4.03Å; Y145-L181 HydrophobicContact CE2-CD1 3.6Å |
| 146 | E | 97.5 | Very high | 93.9 | Very high | 102 Ų | 102 | 38.6 Ų | 38.6 | 48% | 0.477 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.9 | -56.7 | 172.9 | -175.4 | 177.4 | -144.2 | 0 | 0 | 111 | L142 L144 F148 A149 E150 I192 | L142-E146 WeakPolarHBondContact O-CB 3.32Å; L142-E146 PolarHBondContact O-N 3.37Å; L144-E146 VanDerWaalsContact C-N 3.34Å; E146-F148 PolarHBondContact O-N 3.09Å; E146-F148 VanDerWaalsContact O-N 3.13Å; E146-A149 PolarHBondContact O-N 2.85Å; E146-E150 WeakPolarHBondContact O-CG 3.34Å; E146-E150 PolarHBondContact O-N 3.3Å; E146-I192 HydrophobicContact CB-CD1 4.08Å; E146-I192 HydrophobicContact CB-CG1 4.23Å |
| 147 | N | 96.4 | Very high | 93.2 | Very high | 30 Ų | 30 | 48 Ų | 48 | 16% | 0.16 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.6 | -28.1 | 176.2 | -84.2 | -111.9 | 0 | 0 | 0 | 112.8 | G143 L268 P270 | G143-N147 WeakPolarHBondContact O-CB 3.46Å; G143-N147 PolarHBondContact O-N 2.76Å; G143-N147 VanDerWaalsContact O-N 3.1Å; G143-N147 PolarHBondContact O-ND2 3.13Å; N147-L268 WeakPolarHBondContact CB-O 3.41Å; N147-L268 PolarHBondContact OD1-O 3.37Å; N147-P270 WeakPolarHBondContact O-CD 3.49Å; N147-P270 VanDerWaalsContact O-CG 3.25Å; N147-P270 WeakPolarHBondContact O-CG 3.3Å |
| 148 | F | 96.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -82.3 | -34.5 | 176.4 | -80.5 | 21.6 | 0 | 0 | 0 | 112.2 | I112 V124 L144 Y145 E146 V151 Y166 V169 I170 L268 P270 | I112-F148 HydrophobicContact CD1-CZ 4.22Å; V124-F148 HydrophobicContact CG2-CE2 3.96Å; V124-F148 HydrophobicContact CG2-CZ 4.23Å; L144-F148 HydrophobicContact CD1-CD1 4.05Å; L144-F148 HydrophobicContact CD1-CE1 3.61Å; L144-F148 HydrophobicContact CD1-CE2 4.47Å; L144-F148 HydrophobicContact CD1-CZ 3.86Å; L144-F148 WeakPolarHBondContact O-CB 3.43Å; L144-F148 WeakPolarHBondContact O-CD1 3.16Å; L144-F148 WeakPolarHBondContact O-CG 3.14Å; L144-F148 PolarHBondContact O-N 3.35Å; L144-F148 VanDerWaalsContact O-N 3.08Å; Y145-F148 PolarHBondContact O-N 3.2Å; E146-F148 PolarHBondContact O-N 3.09Å; E146-F148 VanDerWaalsContact O-N 3.13Å; F148-V151 WeakPolarHBondContact O-CB 3.45Å; F148-V151 WeakPolarHBondContact O-CG2 2.81Å; F148-V151 PolarHBondContact O-N 3.4Å; F148-Y166 HydrophobicContact CB-CD1 3.97Å; F148-Y166 AromaticContact CD1-CD1 3.96Å; F148-Y166 HydrophobicContact CD1-CD1 3.96Å; F148-Y166 AromaticContact CD1-CE1 3.99Å; F148-Y166 HydrophobicContact CD1-CE1 3.99Å; F148-Y166 AromaticContact CD2-CD1 3.69Å; F148-Y166 HydrophobicContact CD2-CD1 3.69Å; F148-Y166 HydrophobicContact CD2-CE1 4.25Å; F148-Y166 HydrophobicContact CE1-CD1 4.32Å; F148-Y166 AromaticContact CE1-CE1 3.98Å; F148-Y166 HydrophobicContact CE1-CE1 3.98Å; F148-Y166 HydrophobicContact CE2-CD1 4.07Å; F148-Y166 HydrophobicContact CE2-CE1 4.23Å; F148-Y166 AromaticContact CG-CD1 3.61Å; F148-Y166 HydrophobicContact CG-CD1 3.61Å; F148-Y166 HydrophobicContact CG-CE1 4.12Å; F148-Y166 HydrophobicContact CZ-CD1 4.37Å; F148-Y166 HydrophobicContact CZ-CE1 4.1Å; F148-V169 HydrophobicContact CD2-CG1 4.42Å; F148-V169 HydrophobicContact CE2-CG1 4.14Å; F148-I170 HydrophobicContact CB-CD1 3.75Å; F148-I170 HydrophobicContact CB-CG1 3.97Å; F148-L268 HydrophobicContact CE1-CD2 3.9Å; F148-L268 HydrophobicContact CE1-CG 4.21Å; F148-L268 HydrophobicContact CZ-CD2 4.08Å; F148-P270 HydrophobicContact CD1-CG 4.12Å; F148-P270 HydrophobicContact CE1-CG 4.47Å |
| 149 | A | 96.6 | Very high | 92.3 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 3% | 0.025 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -73.3 | -32.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y145 E146 V151 T152 I170 I192 T195 | Y145-A149 VanDerWaalsContact O-CB 3.26Å; Y145-A149 WeakPolarHBondContact O-CB 3.43Å; Y145-A149 PolarHBondContact O-N 2.97Å; E146-A149 PolarHBondContact O-N 2.85Å; A149-V151 PolarHBondContact O-N 3.29Å; A149-V151 VanDerWaalsContact O-N 3.08Å; A149-T152 PolarHBondContact O-N 3.35Å; A149-T152 PolarHBondContact O-OG1 3.25Å; A149-I170 HydrophobicContact CB-CD1 3.97Å; A149-I192 HydrophobicContact CB-CG2 4.08Å; A149-T195 HydrophobicContact CB-CG2 4.22Å |
| 150 | E | 94.7 | Very high | 92 | Very high | 103 Ų | 103 | 42.9 Ų | 42.9 | 48% | 0.481 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -53.3 | -28.5 | 172.5 | -76.2 | 179.4 | 147.5 | 0 | 0 | 112.9 | E146 T152 L153 | E146-E150 WeakPolarHBondContact O-CG 3.34Å; E146-E150 PolarHBondContact O-N 3.3Å; E150-T152 PolarHBondContact O-N 2.91Å; E150-L153 HydrophobicContact CB-CD1 4.49Å; E150-L153 HydrophobicContact CG-CD1 4.43Å; E150-L153 VanDerWaalsContact O-CB 3.29Å; E150-L153 WeakPolarHBondContact O-CB 3.12Å; E150-L153 WeakPolarHBondContact O-CG 3.49Å; E150-L153 PolarHBondContact O-N 3.04Å |
| 151 | V | 94.2 | Very high | 91.8 | Very high | 13 Ų | 13 | 42.7 Ų | 42.7 | 8% | 0.079 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -61.3 | -27.5 | 177.3 | -170.4 | 0 | 0 | 0 | 0 | 112.3 | F148 A149 L153 R162 T163 Y166 P270 | F148-V151 WeakPolarHBondContact O-CB 3.45Å; F148-V151 WeakPolarHBondContact O-CG2 2.81Å; F148-V151 PolarHBondContact O-N 3.4Å; A149-V151 PolarHBondContact O-N 3.29Å; A149-V151 VanDerWaalsContact O-N 3.08Å; V151-L153 VanDerWaalsContact C-N 3.27Å; V151-L153 PolarHBondContact O-N 2.83Å; V151-R162 HydrophobicContact CG1-CG 4.26Å; V151-T163 HydrophobicContact CG1-CG2 4.21Å; V151-T163 WeakPolarHBondContact O-CG2 3.22Å; V151-Y166 HydrophobicContact CB-CD2 4.15Å; V151-Y166 HydrophobicContact CB-CG 4.3Å; V151-Y166 HydrophobicContact CG1-CD2 3.77Å; V151-Y166 HydrophobicContact CG1-CE2 4.15Å; V151-Y166 HydrophobicContact CG1-CG 4.42Å; V151-Y166 HydrophobicContact CG2-CD1 4.31Å; V151-Y166 HydrophobicContact CG2-CD2 4.08Å; V151-Y166 HydrophobicContact CG2-CE2 4.3Å; V151-Y166 HydrophobicContact CG2-CG 4.1Å; V151-P270 HydrophobicContact CG2-CB 3.9Å; V151-P270 HydrophobicContact CG2-CG 3.58Å |
| 152 | T | 93 | Very high | 91.6 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 6% | 0.061 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -74.8 | -16.8 | 178.2 | 76.3 | 0 | 0 | 0 | 0 | 113.2 | A149 E150 A155 T167 Y199 | A149-T152 PolarHBondContact O-N 3.35Å; A149-T152 PolarHBondContact O-OG1 3.25Å; E150-T152 PolarHBondContact O-N 2.91Å; T152-A155 VanDerWaalsContact O-CB 3.23Å; T152-A155 WeakPolarHBondContact O-CB 3.37Å; T152-A155 PolarHBondContact O-N 3.43Å; T152-T167 WeakPolarHBondContact CG2-OG1 3.34Å; T152-Y199 HydrophobicContact CG2-CD1 4.19Å; T152-Y199 HydrophobicContact CG2-CD2 4.15Å; T152-Y199 HydrophobicContact CG2-CG 3.92Å |
| 153 | L | 90 | Very high | 91.5 | Very high | 123 Ų | 123 | 43.1 Ų | 43.1 | 64% | 0.644 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -34.9 | 176.9 | -56.8 | 176.2 | 0 | 0 | 0 | 111.6 | E150 V151 A155 T195 | E150-L153 HydrophobicContact CB-CD1 4.49Å; E150-L153 HydrophobicContact CG-CD1 4.43Å; E150-L153 VanDerWaalsContact O-CB 3.29Å; E150-L153 WeakPolarHBondContact O-CB 3.12Å; E150-L153 WeakPolarHBondContact O-CG 3.49Å; E150-L153 PolarHBondContact O-N 3.04Å; V151-L153 VanDerWaalsContact C-N 3.27Å; V151-L153 PolarHBondContact O-N 2.83Å; L153-A155 VanDerWaalsContact C-N 3.31Å; L153-A155 PolarHBondContact O-N 3.49Å; L153-T195 HydrophobicContact CD2-CG2 3.89Å; L153-T195 HydrophobicContact CG-CG2 4.34Å |
| 154 | D | 81.7 | Confident | 91.4 | Very high | 83 Ų | 83 | 42.2 Ų | 42.2 | 44% | 0.444 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | 16.7 | 175.3 | -94.7 | -48.4 | 0 | 0 | 0 | 113.2 | G156 R157 S158 | D154-G156 PolarHBondContact O-N 3.27Å; D154-R157 PolarHBondContact O-N 3.32Å; D154-R157 WeakPolarHBondContact OD1-CD 3.44Å; D154-R157 IonicContact OD1-CZ 2.75Å; D154-R157 IonicContact OD1-NH1 3.26Å; D154-R157 PolarHBondContact OD1-NH1 3.41Å; D154-S158 PolarHBondContact O-N 3.15Å |
| 155 | A | 78.8 | Confident | 91.4 | Very high | 35 Ų | 35 | 42.3 Ų | 42.3 | 29% | 0.289 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -53.7 | -29.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T152 L153 R157 T163 Y199 | T152-A155 VanDerWaalsContact O-CB 3.23Å; T152-A155 WeakPolarHBondContact O-CB 3.37Å; T152-A155 PolarHBondContact O-N 3.43Å; L153-A155 VanDerWaalsContact C-N 3.31Å; L153-A155 PolarHBondContact O-N 3.49Å; A155-R157 PolarHBondContact O-N 2.96Å; A155-T163 HydrophobicContact CB-CG2 4.12Å; A155-Y199 HydrophobicContact CB-CD2 4.15Å; A155-Y199 HydrophobicContact CB-CE2 4.04Å |
| 156 | G | 77.3 | Confident | 91.3 | Very high | 83 Ų | 83 | 42.3 Ų | 42.3 | 86% | 0.856 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -74.2 | 1.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | D154 | D154-G156 PolarHBondContact O-N 3.27Š|
| 157 | R | 81.6 | Confident | 91.3 | Very high | 199 Ų | 199 | 37.4 Ų | 37.4 | 75% | 0.751 | 21% | 0.207 | S | C | * | . | G | 310 helix | trans | -131.6 | 5.9 | 179.9 | -64.2 | -179.7 | 178.6 | 149.8 | -10.6 | 113.1 | D154 A155 | D154-R157 PolarHBondContact O-N 3.32Å; D154-R157 WeakPolarHBondContact OD1-CD 3.44Å; D154-R157 IonicContact OD1-CZ 2.75Å; D154-R157 IonicContact OD1-NH1 3.26Å; D154-R157 PolarHBondContact OD1-NH1 3.41Å; A155-R157 PolarHBondContact O-N 2.96Å |
| 158 | S | 85.8 | Confident | 91.4 | Very high | 19 Ų | 19 | 37.5 Ų | 37.5 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -135.3 | 169.9 | -172.5 | -141.9 | 0 | 0 | 0 | 0 | 109.6 | D154 R162 Y273 | D154-S158 PolarHBondContact O-N 3.15Å; S158-R162 WeakPolarHBondContact OG-CD 3.3Å; S158-Y273 WeakPolarHBondContact OG-CB 3.41Å; S158-Y273 WeakPolarHBondContact OG-CD2 3.4Å; S158-Y273 VanDerWaalsContact OG-CG 3.25Å |
| 159 | S | 89.5 | Confident | 91.5 | Very high | 6 Ų | 6 | 37.7 Ų | 37.7 | 4% | 0.042 | 21% | 0.207 | C | C | . | . | trans | -72.7 | 145.2 | 171.9 | 56 | 0 | 0 | 0 | 0 | 111.5 | A161 R162 T163 A1013 | S159-A161 VanDerWaalsContact C-N 3.3Å; S159-R162 PolarHBondContact O-N 2.91Å; S159-R162 WeakPolarHBondContact OG-CB 3.46Å; S159-R162 PolarHBondContact OG-N 2.99Å; S159-T163 PolarHBondContact O-N 2.92Å; S159-T163 PolarHBondContact O-OG1 2.88Å; S159-A1013 WeakPolarHBondContact CA-OXT 3.31Å; S159-A1013 WeakPolarHBondContact CB-O 3.29Å; S159-A1013 WeakPolarHBondContact CB-OXT 3.38Å | ||
| 160 | Q | 93 | Very high | 91.6 | Very high | 37 Ų | 37 | 37.6 Ų | 37.6 | 17% | 0.173 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 169.2 | -163.2 | -179.3 | -97.4 | 0 | 0 | 109.5 | R162 T163 D164 R203 Q204 A1013 | Q160-R162 PolarHBondContact O-N 3.46Å; Q160-R162 VanDerWaalsContact O-N 3.08Å; Q160-T163 WeakPolarHBondContact CA-OG1 3.4Å; Q160-T163 PolarHBondContact O-N 3.35Å; Q160-T163 PolarHBondContact O-OG1 2.93Å; Q160-D164 VanDerWaalsContact O-CB 3.29Å; Q160-D164 WeakPolarHBondContact O-CB 3.23Å; Q160-D164 PolarHBondContact O-N 3.21Å; Q160-R203 HydrophobicContact CG-CG 4.33Å; Q160-Q204 PolarHBondContact NE2-O 3.35Å; Q160-Q204 PolarHBondContact OE1-O 2.86Å; Q160-A1013 CarbonylContact C-O 3.5Å; Q160-A1013 WeakPolarHBondContact CA-O 3.41Å; Q160-A1013 WeakPolarHBondContact CB-O 3.43Å; Q160-A1013 PolarHBondContact N-O 3.38Å; Q160-A1013 PolarHBondContact N-OXT 3.4Å |
| 161 | A | 92.1 | Very high | 91.7 | Very high | 11 Ų | 11 | 32.7 Ų | 32.7 | 9% | 0.091 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.7 | -30.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | S159 W165 A1013 | S159-A161 VanDerWaalsContact C-N 3.3Å; A161-W165 PolarHBondContact O-N 2.86Å; A161-A1013 PolarHBondContact N-O 3.49Å |
| 162 | R | 94.2 | Very high | 91.9 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 6% | 0.06 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.5 | -48.8 | 171.8 | 172.1 | 174.7 | 161.5 | 123.3 | -6.9 | 112 | V151 S158 S159 Q160 D164 W165 Y166 P271 D272 Y279 | V151-R162 HydrophobicContact CG1-CG 4.26Å; S158-R162 WeakPolarHBondContact OG-CD 3.3Å; S159-R162 PolarHBondContact O-N 2.91Å; S159-R162 WeakPolarHBondContact OG-CB 3.46Å; S159-R162 PolarHBondContact OG-N 2.99Å; Q160-R162 PolarHBondContact O-N 3.46Å; Q160-R162 VanDerWaalsContact O-N 3.08Å; R162-D164 VanDerWaalsContact C-N 3.35Å; R162-W165 PolarHBondContact O-N 3.3Å; R162-Y166 HydrophobicContact CG-CD2 3.94Å; R162-Y166 HydrophobicContact CG-CE2 3.89Å; R162-Y166 VanDerWaalsContact O-CD2 3.32Å; R162-Y166 WeakPolarHBondContact O-CD2 3.27Å; R162-Y166 PolarHBondContact O-N 3.03Å; R162-Y166 VanDerWaalsContact O-N 3.17Å; R162-P271 VanDerWaalsContact CZ-O 3.3Å; R162-P271 PolarHBondContact NH1-O 3.49Å; R162-P271 PolarHBondContact NH2-O 3.13Å; R162-D272 PolarHBondContact NH1-O 2.92Å; R162-Y279 HydrophobicContact CB-CD1 3.83Å; R162-Y279 HydrophobicContact CB-CD2 3.87Å; R162-Y279 HydrophobicContact CB-CE1 3.74Å; R162-Y279 HydrophobicContact CB-CE2 3.82Å; R162-Y279 HydrophobicContact CB-CG 3.91Å; R162-Y279 WeakPolarHBondContact CD-OH 3.01Å; R162-Y279 HydrophobicContact CG-CD1 4.09Å; R162-Y279 HydrophobicContact CG-CE1 3.58Å; R162-Y279 HydrophobicContact CG-CE2 4.26Å; R162-Y279 PolarHBondContact NH1-OH 3.47Å; R162-Y279 VanDerWaalsContact NH1-OH 3.15Å |
| 163 | T | 95.2 | Very high | 92.1 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.006 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.4 | -35 | -177.3 | 45.3 | 0 | 0 | 0 | 0 | 111.8 | V151 A155 S159 Q160 T167 Y199 | V151-T163 HydrophobicContact CG1-CG2 4.21Å; V151-T163 WeakPolarHBondContact O-CG2 3.22Å; A155-T163 HydrophobicContact CB-CG2 4.12Å; S159-T163 PolarHBondContact O-N 2.92Å; S159-T163 PolarHBondContact O-OG1 2.88Å; Q160-T163 WeakPolarHBondContact CA-OG1 3.4Å; Q160-T163 PolarHBondContact O-N 3.35Å; Q160-T163 PolarHBondContact O-OG1 2.93Å; T163-T167 VanDerWaalsContact O-CB 3.32Å; T163-T167 WeakPolarHBondContact O-CB 3.29Å; T163-T167 PolarHBondContact O-N 3.45Å; T163-T167 PolarHBondContact O-OG1 3.38Å; T163-Y199 WeakPolarHBondContact CB-OH 3.4Å; T163-Y199 HydrophobicContact CG2-CE2 4.36Å; T163-Y199 VanDerWaalsContact OG1-CE2 3.29Å; T163-Y199 WeakPolarHBondContact OG1-CE2 3.35Å; T163-Y199 PolarHBondContact OG1-OH 3.46Å |
| 164 | D | 96.1 | Very high | 92.5 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -52 | -51 | 165.4 | -97 | 39.2 | 0 | 0 | 0 | 111.5 | Q160 R162 T167 Y168 Y199 R203 Y225 | Q160-D164 VanDerWaalsContact O-CB 3.29Å; Q160-D164 WeakPolarHBondContact O-CB 3.23Å; Q160-D164 PolarHBondContact O-N 3.21Å; R162-D164 VanDerWaalsContact C-N 3.35Å; D164-T167 PolarHBondContact O-N 2.81Å; D164-Y168 VanDerWaalsContact O-CB 3.28Å; D164-Y168 WeakPolarHBondContact O-CB 3.31Å; D164-Y168 PolarHBondContact O-N 3.1Å; D164-Y199 PolarHBondContact N-OH 3.43Å; D164-Y199 VanDerWaalsContact N-OH 3.14Å; D164-Y199 PolarHBondContact OD1-OH 3.46Å; D164-R203 IonicContact OD1-CZ 2.68Å; D164-R203 IonicContact OD1-NE 3.99Å; D164-R203 PolarHBondContact OD1-NE 3.17Å; D164-R203 IonicContact OD1-NH2 3.28Å; D164-R203 IonicContact OD2-CZ 3.99Å; D164-R203 IonicContact OD2-NE 3.7Å; D164-R203 PolarHBondContact OD2-NE 3.47Å; D164-R203 IonicContact OD2-NH2 3.84Å; D164-R203 PolarHBondContact OD2-NH2 3.26Å; D164-Y225 WeakPolarHBondContact CB-OH 3.46Å; D164-Y225 PolarHBondContact OD2-OH 3.01Å |
| 165 | W | 96.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 22.6 Ų | 22.6 | 4% | 0.042 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.1 | -47.2 | -176.4 | -177.6 | 75.9 | 0 | 0 | 0 | 113.1 | I112 F117 A120 A161 R162 T167 Y168 V169 P280 | I112-W165 HydrophobicContact CD1-CH2 4.38Å; I112-W165 HydrophobicContact CG1-CH2 4.08Å; I112-W165 HydrophobicContact CG1-CZ3 4.42Å; F117-W165 HydrophobicContact CB-CZ2 4.14Å; F117-W165 AromaticContact CD1-CD2 3.74Å; F117-W165 HydrophobicContact CD1-CD2 3.74Å; F117-W165 AromaticContact CD1-CE2 3.65Å; F117-W165 AromaticContact CD1-CE3 3.9Å; F117-W165 HydrophobicContact CD1-CE3 3.9Å; F117-W165 HydrophobicContact CD1-CG 4.43Å; F117-W165 AromaticContact CD1-CH2 3.92Å; F117-W165 HydrophobicContact CD1-CH2 3.92Å; F117-W165 AromaticContact CD1-CZ2 3.75Å; F117-W165 HydrophobicContact CD1-CZ2 3.75Å; F117-W165 AromaticContact CD1-CZ3 3.98Å; F117-W165 HydrophobicContact CD1-CZ3 3.98Å; F117-W165 HydrophobicContact CE1-CD2 4.37Å; F117-W165 HydrophobicContact CE1-CE3 4.16Å; F117-W165 HydrophobicContact CE1-CZ3 4.26Å; F117-W165 HydrophobicContact CG-CD2 4.46Å; F117-W165 HydrophobicContact CG-CZ2 4.44Å; A120-W165 HydrophobicContact CB-CH2 3.71Å; A120-W165 HydrophobicContact CB-CZ2 3.73Å; A161-W165 PolarHBondContact O-N 2.86Å; R162-W165 PolarHBondContact O-N 3.3Å; W165-T167 VanDerWaalsContact C-N 3.31Å; W165-T167 PolarHBondContact O-N 2.99Å; W165-Y168 PolarHBondContact O-N 2.71Å; W165-V169 HydrophobicContact CD2-CG2 4.14Å; W165-V169 HydrophobicContact CH2-CG2 4.32Å; W165-V169 HydrophobicContact CZ2-CG2 3.7Å; W165-V169 WeakPolarHBondContact O-CG2 3.39Å; W165-V169 PolarHBondContact O-N 3.36Å; W165-P280 HydrophobicContact CG-CG 4.36Å |
| 166 | Y | 97 | Very high | 94.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.3 | -41.4 | 176.9 | -79.8 | -76.2 | 0 | 0 | 0 | 111.4 | I112 F148 V151 R162 V169 I170 P270 | I112-Y166 WeakPolarHBondContact CG2-OH 3.28Å; F148-Y166 HydrophobicContact CB-CD1 3.97Å; F148-Y166 AromaticContact CD1-CD1 3.96Å; F148-Y166 HydrophobicContact CD1-CD1 3.96Å; F148-Y166 AromaticContact CD1-CE1 3.99Å; F148-Y166 HydrophobicContact CD1-CE1 3.99Å; F148-Y166 AromaticContact CD2-CD1 3.69Å; F148-Y166 HydrophobicContact CD2-CD1 3.69Å; F148-Y166 HydrophobicContact CD2-CE1 4.25Å; F148-Y166 HydrophobicContact CE1-CD1 4.32Å; F148-Y166 AromaticContact CE1-CE1 3.98Å; F148-Y166 HydrophobicContact CE1-CE1 3.98Å; F148-Y166 HydrophobicContact CE2-CD1 4.07Å; F148-Y166 HydrophobicContact CE2-CE1 4.23Å; F148-Y166 AromaticContact CG-CD1 3.61Å; F148-Y166 HydrophobicContact CG-CD1 3.61Å; F148-Y166 HydrophobicContact CG-CE1 4.12Å; F148-Y166 HydrophobicContact CZ-CD1 4.37Å; F148-Y166 HydrophobicContact CZ-CE1 4.1Å; V151-Y166 HydrophobicContact CB-CD2 4.15Å; V151-Y166 HydrophobicContact CB-CG 4.3Å; V151-Y166 HydrophobicContact CG1-CD2 3.77Å; V151-Y166 HydrophobicContact CG1-CE2 4.15Å; V151-Y166 HydrophobicContact CG1-CG 4.42Å; V151-Y166 HydrophobicContact CG2-CD1 4.31Å; V151-Y166 HydrophobicContact CG2-CD2 4.08Å; V151-Y166 HydrophobicContact CG2-CE2 4.3Å; V151-Y166 HydrophobicContact CG2-CG 4.1Å; R162-Y166 HydrophobicContact CG-CD2 3.94Å; R162-Y166 HydrophobicContact CG-CE2 3.89Å; R162-Y166 VanDerWaalsContact O-CD2 3.32Å; R162-Y166 WeakPolarHBondContact O-CD2 3.27Å; R162-Y166 PolarHBondContact O-N 3.03Å; R162-Y166 VanDerWaalsContact O-N 3.17Å; Y166-V169 PolarHBondContact O-N 3Å; Y166-I170 WeakPolarHBondContact O-CG1 3.43Å; Y166-I170 PolarHBondContact O-N 3.02Å; Y166-P270 HydrophobicContact CE1-CB 4.11Å; Y166-P270 HydrophobicContact CE1-CG 4.04Å |
| 167 | T | 97.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.2 | -50.4 | 175.3 | -55.5 | 0 | 0 | 0 | 0 | 111.3 | T152 T163 D164 W165 V169 I170 L171 I196 M200 L226 | T152-T167 WeakPolarHBondContact CG2-OG1 3.34Å; T163-T167 VanDerWaalsContact O-CB 3.32Å; T163-T167 WeakPolarHBondContact O-CB 3.29Å; T163-T167 PolarHBondContact O-N 3.45Å; T163-T167 PolarHBondContact O-OG1 3.38Å; D164-T167 PolarHBondContact O-N 2.81Å; W165-T167 VanDerWaalsContact C-N 3.31Å; W165-T167 PolarHBondContact O-N 2.99Å; T167-V169 VanDerWaalsContact C-N 3.32Å; T167-V169 PolarHBondContact O-N 2.94Å; T167-I170 PolarHBondContact O-N 2.85Å; T167-L171 HydrophobicContact CG2-CD1 4.02Å; T167-L171 HydrophobicContact CG2-CG 4.27Å; T167-L171 WeakPolarHBondContact O-CG 3.28Å; T167-L171 PolarHBondContact O-N 3.29Å; T167-I196 HydrophobicContact CG2-CD1 4.46Å; T167-I196 HydrophobicContact CG2-CG1 4.31Å; T167-I196 HydrophobicContact CG2-CG2 3.63Å; T167-M200 HydrophobicContact CG2-SD 4.47Å; T167-L226 HydrophobicContact CG2-CD1 4.14Å; T167-L226 HydrophobicContact CG2-CD2 4.14Å; T167-L226 HydrophobicContact CG2-CG 4.46Å |
| 168 | Y | 98.3 | Very high | 95.8 | Very high | 31 Ų | 31 | 8.9 Ų | 8.9 | 12% | 0.122 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -57.1 | -42.3 | 179.2 | 175.8 | -98.9 | 0 | 0 | 0 | 112.6 | K121 D164 W165 I170 L171 Y172 Y225 L226 L229 F331 | K121-Y168 HydrophobicContact CD-CE1 3.87Å; D164-Y168 VanDerWaalsContact O-CB 3.28Å; D164-Y168 WeakPolarHBondContact O-CB 3.31Å; D164-Y168 PolarHBondContact O-N 3.1Å; W165-Y168 PolarHBondContact O-N 2.71Å; Y168-I170 PolarHBondContact O-N 3.46Å; Y168-L171 PolarHBondContact O-N 2.84Å; Y168-Y172 HydrophobicContact CE1-CD1 4.26Å; Y168-Y172 WeakPolarHBondContact O-CB 3.46Å; Y168-Y172 PolarHBondContact O-N 2.87Å; Y168-Y225 AromaticContact CD2-CD2 3.74Å; Y168-Y225 HydrophobicContact CD2-CD2 3.74Å; Y168-Y225 AromaticContact CD2-CE2 3.47Å; Y168-Y225 HydrophobicContact CD2-CE2 3.47Å; Y168-Y225 VanDerWaalsContact CD2-CE2 3.47Å; Y168-Y225 AromaticContact CE2-CD2 3.95Å; Y168-Y225 HydrophobicContact CE2-CD2 3.95Å; Y168-Y225 HydrophobicContact CE2-CE2 4.08Å; Y168-Y225 AromaticContact CG-CE2 3.86Å; Y168-Y225 HydrophobicContact CG-CE2 3.86Å; Y168-L226 HydrophobicContact CD2-CD1 4.38Å; Y168-L229 HydrophobicContact CD2-CD2 3.64Å; Y168-L229 HydrophobicContact CE2-CD2 3.79Å; Y168-F331 HydrophobicContact CE2-CE2 4.38Å |
| 169 | V | 97.9 | Very high | 96.3 | Very high | 5 Ų | 5 | 13.5 Ų | 13.5 | 3% | 0.03 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66.5 | -35.9 | 179.6 | 170.2 | 0 | 0 | 0 | 0 | 112.3 | K121 V124 F148 W165 Y166 T167 G173 | K121-V169 HydrophobicContact CB-CG2 4.47Å; K121-V169 HydrophobicContact CG-CG2 4.44Å; V124-V169 HydrophobicContact CB-CG1 3.7Å; V124-V169 HydrophobicContact CG1-CG1 3.54Å; V124-V169 HydrophobicContact CG2-CG1 4.1Å; F148-V169 HydrophobicContact CD2-CG1 4.42Å; F148-V169 HydrophobicContact CE2-CG1 4.14Å; W165-V169 HydrophobicContact CD2-CG2 4.14Å; W165-V169 HydrophobicContact CH2-CG2 4.32Å; W165-V169 HydrophobicContact CZ2-CG2 3.7Å; W165-V169 WeakPolarHBondContact O-CG2 3.39Å; W165-V169 PolarHBondContact O-N 3.36Å; Y166-V169 PolarHBondContact O-N 3Å; T167-V169 VanDerWaalsContact C-N 3.32Å; T167-V169 PolarHBondContact O-N 2.94Å; V169-G173 PolarHBondContact O-N 3.48Å |
| 170 | I | 98.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 14.7 Ų | 14.7 | 1% | 0.005 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -63.9 | -53.7 | 170.3 | -62.5 | 163.7 | 0 | 0 | 0 | 109.7 | Y145 F148 A149 Y166 T167 Y168 Y172 G173 L174 I196 | Y145-I170 HydrophobicContact CD1-CB 4.47Å; Y145-I170 HydrophobicContact CD1-CG1 4.12Å; Y145-I170 HydrophobicContact CD1-CG2 4.24Å; Y145-I170 HydrophobicContact CD2-CG2 4Å; Y145-I170 HydrophobicContact CE2-CG2 4.47Å; Y145-I170 HydrophobicContact CG-CG1 4.29Å; Y145-I170 HydrophobicContact CG-CG2 3.88Å; Y145-I170 WeakPolarHBondContact O-CD1 3.34Å; F148-I170 HydrophobicContact CB-CD1 3.75Å; F148-I170 HydrophobicContact CB-CG1 3.97Å; A149-I170 HydrophobicContact CB-CD1 3.97Å; Y166-I170 WeakPolarHBondContact O-CG1 3.43Å; Y166-I170 PolarHBondContact O-N 3.02Å; T167-I170 PolarHBondContact O-N 2.85Å; Y168-I170 PolarHBondContact O-N 3.46Å; I170-Y172 VanDerWaalsContact C-N 3.29Å; I170-Y172 PolarHBondContact O-N 3.43Å; I170-G173 PolarHBondContact O-N 3.42Å; I170-L174 HydrophobicContact CG2-CD1 4.41Å; I170-L174 PolarHBondContact O-N 3.46Å; I170-I196 HydrophobicContact CB-CD1 4.43Å; I170-I196 HydrophobicContact CD1-CD1 4.14Å; I170-I196 HydrophobicContact CG2-CD1 4.04Å |
| 171 | L | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -61 | -35.4 | -175.7 | -64.9 | -176.2 | 0 | 0 | 0 | 112.5 | T167 Y168 G173 L174 P175 I196 L226 L229 W230 I233 | T167-L171 HydrophobicContact CG2-CD1 4.02Å; T167-L171 HydrophobicContact CG2-CG 4.27Å; T167-L171 WeakPolarHBondContact O-CG 3.28Å; T167-L171 PolarHBondContact O-N 3.29Å; Y168-L171 PolarHBondContact O-N 2.84Å; L171-G173 VanDerWaalsContact C-N 3.35Å; L171-L174 HydrophobicContact CD2-CD1 4.03Å; L171-L174 PolarHBondContact O-N 3.06Å; L171-P175 WeakPolarHBondContact O-CD 3.29Å; L171-I196 HydrophobicContact CD2-CD1 4.36Å; L171-L226 HydrophobicContact CD1-CD1 3.99Å; L171-L229 HydrophobicContact CB-CD2 3.62Å; L171-L229 HydrophobicContact CB-CG 3.94Å; L171-L229 HydrophobicContact CD1-CD2 4.35Å; L171-L229 HydrophobicContact CD1-CG 4.25Å; L171-W230 HydrophobicContact CD1-CE3 4.21Å; L171-W230 HydrophobicContact CD2-CE3 3.92Å; L171-W230 HydrophobicContact CD2-CZ3 4.1Å; L171-I233 HydrophobicContact CB-CG1 4.29Å; L171-I233 HydrophobicContact CD2-CB 4.4Å; L171-I233 HydrophobicContact CD2-CG1 4.23Å; L171-I233 HydrophobicContact CD2-CG2 4.12Å; L171-I233 WeakPolarHBondContact O-CD1 3.45Å |
| 172 | Y | 97.8 | Very high | 97.2 | Very high | 9 Ų | 9 | 13.6 Ų | 13.6 | 4% | 0.035 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -71.7 | -25.8 | 175.2 | -175.4 | -157.9 | 0 | 0 | 0 | 113.2 | K121 L125 Y168 I170 P175 Y176 F331 E335 | K121-Y172 HydrophobicContact CD-CD1 3.9Å; K121-Y172 HydrophobicContact CD-CE1 3.81Å; K121-Y172 HydrophobicContact CG-CD1 3.93Å; K121-Y172 HydrophobicContact CG-CE1 4.04Å; L125-Y172 HydrophobicContact CD1-CD1 4.14Å; L125-Y172 HydrophobicContact CD1-CD2 3.99Å; L125-Y172 HydrophobicContact CD1-CE1 4.16Å; L125-Y172 HydrophobicContact CD1-CE2 4.02Å; L125-Y172 HydrophobicContact CD1-CG 4.05Å; L125-Y172 WeakPolarHBondContact CD1-O 3.4Å; L125-Y172 HydrophobicContact CD2-CD1 4.35Å; L125-Y172 HydrophobicContact CD2-CE1 3.6Å; L125-Y172 HydrophobicContact CD2-CE2 4.09Å; L125-Y172 VanDerWaalsContact CD2-CZ 3.44Å; L125-Y172 WeakPolarHBondContact CD2-OH 3.49Å; L125-Y172 HydrophobicContact CG-CE1 4.41Å; Y168-Y172 HydrophobicContact CE1-CD1 4.26Å; Y168-Y172 WeakPolarHBondContact O-CB 3.46Å; Y168-Y172 PolarHBondContact O-N 2.87Å; I170-Y172 VanDerWaalsContact C-N 3.29Å; I170-Y172 PolarHBondContact O-N 3.43Å; Y172-P175 WeakPolarHBondContact O-CD 3.08Å; Y172-Y176 HydrophobicContact CE2-CE2 4.27Å; Y172-F331 AromaticContact CD2-CE1 3.64Å; Y172-F331 HydrophobicContact CD2-CE1 3.64Å; Y172-F331 AromaticContact CD2-CZ 3.51Å; Y172-F331 HydrophobicContact CD2-CZ 3.51Å; Y172-F331 HydrophobicContact CE2-CE1 4.13Å; Y172-F331 HydrophobicContact CE2-CZ 4.04Å; Y172-F331 HydrophobicContact CG-CZ 4.08Å; Y172-E335 HydrophobicContact CE1-CG 4.39Å; Y172-E335 HydrophobicContact CE2-CG 3.9Å; Y172-E335 VanDerWaalsContact OH-CG 3.25Å; Y172-E335 WeakPolarHBondContact OH-CG 3.44Å; Y172-E335 PolarHBondContact OH-OE1 3.44Å |
| 173 | G | 97.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -75.1 | -31 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y145 V169 I170 L171 Y176 S177 | Y145-G173 WeakPolarHBondContact OH-CA 3.42Å; V169-G173 PolarHBondContact O-N 3.48Å; I170-G173 PolarHBondContact O-N 3.42Å; L171-G173 VanDerWaalsContact C-N 3.35Å; G173-Y176 PolarHBondContact O-N 3.19Å; G173-S177 PolarHBondContact O-N 2.96Å; G173-S177 PolarHBondContact O-OG 2.88Å |
| 174 | L | 98.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 22.9 Ų | 22.9 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.8 | -33.6 | -173.1 | -73.7 | 175.7 | 0 | 0 | 0 | 116.8 | Y145 I170 L171 Y176 S177 G178 L189 L193 I233 W241 | Y145-L174 HydrophobicContact CD2-CD2 4.35Å; Y145-L174 HydrophobicContact CE2-CD2 3.85Å; Y145-L174 HydrophobicContact CE2-CG 4.42Å; I170-L174 HydrophobicContact CG2-CD1 4.41Å; I170-L174 PolarHBondContact O-N 3.46Å; L171-L174 HydrophobicContact CD2-CD1 4.03Å; L171-L174 PolarHBondContact O-N 3.06Å; L174-Y176 PolarHBondContact O-N 2.94Å; L174-S177 PolarHBondContact O-N 3.31Å; L174-G178 VanDerWaalsContact O-CA 3.25Å; L174-G178 WeakPolarHBondContact O-CA 3.35Å; L174-G178 PolarHBondContact O-N 3.27Å; L174-L189 HydrophobicContact CD2-CD1 3.76Å; L174-L193 HydrophobicContact CD1-CD2 3.94Å; L174-I233 HydrophobicContact CB-CD1 4.01Å; L174-I233 HydrophobicContact CD1-CG2 3.93Å; L174-W241 HydrophobicContact CB-CZ3 4.06Å; L174-W241 HydrophobicContact CD1-CH2 4.26Å; L174-W241 HydrophobicContact CD1-CZ3 4.32Å; L174-W241 HydrophobicContact CD2-CH2 4.49Å; L174-W241 HydrophobicContact CD2-CZ3 4.44Å |
| 175 | P | 97.6 | Very high | 97.5 | Very high | 7 Ų | 7 | 25.8 Ų | 25.8 | 5% | 0.045 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.6 | -27.8 | 174.3 | -25.8 | 35.6 | 0 | 0 | 0 | 113.2 | L171 Y172 I233 L236 I328 L332 | L171-P175 WeakPolarHBondContact O-CD 3.29Å; Y172-P175 WeakPolarHBondContact O-CD 3.08Å; P175-I233 HydrophobicContact CG-CD1 3.92Å; P175-L236 HydrophobicContact CB-CD2 4.3Å; P175-L236 HydrophobicContact CG-CD2 4.43Å; P175-I328 HydrophobicContact CB-CG1 3.98Å; P175-I328 HydrophobicContact CG-CD1 3.72Å; P175-I328 HydrophobicContact CG-CG1 3.62Å; P175-L332 HydrophobicContact CB-CD1 4.14Å; P175-L332 HydrophobicContact CB-CD2 3.92Å; P175-L332 HydrophobicContact CB-CG 4.37Å; P175-L332 HydrophobicContact CG-CD2 4.41Å |
| 176 | Y | 96.5 | Very high | 97.5 | Very high | 28 Ų | 28 | 27.6 Ų | 27.6 | 11% | 0.11 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -93 | -41.7 | 179 | -56.7 | -82.4 | 0 | 0 | 0 | 112.2 | L80 L125 V129 N132 Y172 G173 L174 T246 L332 | L80-Y176 HydrophobicContact CD2-CD1 4.03Å; L80-Y176 HydrophobicContact CD2-CE1 3.86Å; L125-Y176 HydrophobicContact CD1-CD2 3.75Å; L125-Y176 HydrophobicContact CD1-CE2 3.73Å; V129-Y176 HydrophobicContact CG2-CD1 3.81Å; V129-Y176 HydrophobicContact CG2-CD2 4.33Å; V129-Y176 HydrophobicContact CG2-CE1 4.44Å; V129-Y176 HydrophobicContact CG2-CG 3.73Å; N132-Y176 PolarHBondContact ND2-O 3.35Å; Y172-Y176 HydrophobicContact CE2-CE2 4.27Å; G173-Y176 PolarHBondContact O-N 3.19Å; L174-Y176 PolarHBondContact O-N 2.94Å; Y176-T246 HydrophobicContact CD1-CG2 4.31Å; Y176-T246 HydrophobicContact CE1-CG2 3.85Å; Y176-L332 HydrophobicContact CE1-CD2 4.44Å; Y176-L332 HydrophobicContact CE2-CD2 3.89Å; Y176-L332 WeakPolarHBondContact OH-CD2 3.17Å |
| 177 | S | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -96.7 | -30 | -173.7 | 68.3 | 0 | 0 | 0 | 0 | 114.2 | Y145 G173 L174 Y179 L180 L181 | Y145-S177 PolarHBondContact OH-OG 3.19Å; G173-S177 PolarHBondContact O-N 2.96Å; G173-S177 PolarHBondContact O-OG 2.88Å; L174-S177 PolarHBondContact O-N 3.31Å; S177-Y179 PolarHBondContact O-N 3.33Å; S177-L180 PolarHBondContact O-N 3.49Å; S177-L181 WeakPolarHBondContact O-CG 3.42Å; S177-L181 PolarHBondContact O-N 2.92Å |
| 178 | G | 97.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -54.8 | -45.8 | -160.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L174 L180 L181 A182 | L174-G178 VanDerWaalsContact O-CA 3.25Å; L174-G178 WeakPolarHBondContact O-CA 3.35Å; L174-G178 PolarHBondContact O-N 3.27Å; G178-L180 VanDerWaalsContact C-N 3.33Å; G178-L180 PolarHBondContact O-N 2.7Å; G178-L181 PolarHBondContact O-N 3.37Å; G178-A182 VanDerWaalsContact O-CB 3.27Å; G178-A182 WeakPolarHBondContact O-CB 3.4Å; G178-A182 PolarHBondContact O-N 2.84Å |
| 179 | Y | 97 | Very high | 97.5 | Very high | 117 Ų | 117 | 30.7 Ų | 30.7 | 46% | 0.459 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -56.8 | -44.8 | 176.2 | 177.5 | -99.3 | 0 | 0 | 0 | 112.5 | S177 S183 W241 | S177-Y179 PolarHBondContact O-N 3.33Å; Y179-S183 VanDerWaalsContact O-CB 3.23Å; Y179-S183 WeakPolarHBondContact O-CB 3.3Å; Y179-S183 PolarHBondContact O-N 2.85Å; Y179-S183 PolarHBondContact O-OG 3.33Å; Y179-W241 HydrophobicContact CD2-CB 4.32Å |
| 180 | L | 96.6 | Very high | 97.5 | Very high | 31 Ų | 31 | 33.7 Ų | 33.7 | 16% | 0.162 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -74.8 | -30.8 | -179.3 | -72 | -176.6 | 0 | 0 | 0 | 112.7 | V131 N132 K138 S177 G178 | V131-L180 HydrophobicContact CG1-CB 4.14Å; V131-L180 HydrophobicContact CG1-CD1 3.99Å; N132-L180 HydrophobicContact CB-CD1 4.24Å; N132-L180 WeakPolarHBondContact OD1-CD1 3.37Å; K138-L180 WeakPolarHBondContact CD-O 3.42Å; K138-L180 VanDerWaalsContact CE-O 3.31Å; K138-L180 WeakPolarHBondContact CE-O 3.39Å; K138-L180 PolarHBondContact NZ-O 3.34Å; S177-L180 PolarHBondContact O-N 3.49Å; G178-L180 VanDerWaalsContact C-N 3.33Å; G178-L180 PolarHBondContact O-N 2.7Å |
| 181 | L | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -72.5 | -49.3 | 175.1 | -58.3 | -174.4 | 0 | 0 | 0 | 111.2 | K138 I141 L142 Y145 S177 G178 S183 Y184 D185 L189 | K138-L181 HydrophobicContact CB-CD2 3.96Å; K138-L181 HydrophobicContact CG-CD2 4.42Å; I141-L181 HydrophobicContact CB-CD2 4.33Å; I141-L181 HydrophobicContact CG2-CD1 3.93Å; L142-L181 HydrophobicContact CD2-CB 4.23Å; L142-L181 HydrophobicContact CD2-CD1 4.26Å; L142-L181 HydrophobicContact CG-CB 4.43Å; L142-L181 HydrophobicContact CG-CD1 4.4Å; L142-L181 HydrophobicContact CG-CD2 4.27Å; Y145-L181 HydrophobicContact CD2-CD1 4.03Å; Y145-L181 HydrophobicContact CE2-CD1 3.6Å; S177-L181 WeakPolarHBondContact O-CG 3.42Å; S177-L181 PolarHBondContact O-N 2.92Å; G178-L181 PolarHBondContact O-N 3.37Å; L181-S183 VanDerWaalsContact C-N 3.25Å; L181-S183 PolarHBondContact O-N 2.9Å; L181-Y184 PolarHBondContact O-N 3.36Å; L181-D185 PolarHBondContact O-N 3.3Å; L181-L189 HydrophobicContact CB-CD2 4.31Å |
| 182 | A | 97.6 | Very high | 97.5 | Very high | 25 Ų | 25 | 38.6 Ų | 38.6 | 21% | 0.207 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -57.4 | -38.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G178 Y184 A186 L189 | G178-A182 VanDerWaalsContact O-CB 3.27Å; G178-A182 WeakPolarHBondContact O-CB 3.4Å; G178-A182 PolarHBondContact O-N 2.84Å; A182-Y184 PolarHBondContact O-N 3.37Å; A182-A186 PolarHBondContact O-N 2.94Å; A182-L189 HydrophobicContact CB-CD2 3.76Å |
| 183 | S | 97.1 | Very high | 97.5 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 51% | 0.51 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | 9.2 | 175.4 | -54.8 | 0 | 0 | 0 | 0 | 114.3 | Y179 L181 | Y179-S183 VanDerWaalsContact O-CB 3.23Å; Y179-S183 WeakPolarHBondContact O-CB 3.3Å; Y179-S183 PolarHBondContact O-N 2.85Å; Y179-S183 PolarHBondContact O-OG 3.33Å; L181-S183 VanDerWaalsContact C-N 3.25Å; L181-S183 PolarHBondContact O-N 2.9Å |
| 184 | Y | 97.3 | Very high | 97.5 | Very high | 138 Ų | 138 | 39.6 Ų | 39.6 | 54% | 0.541 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -126.8 | -50.6 | 178.6 | 168.4 | -95.3 | 0 | 0 | 0 | 111.4 | K138 A139 L142 L181 A182 | K138-Y184 HydrophobicContact CB-CD1 3.88Å; K138-Y184 HydrophobicContact CB-CD2 4.43Å; K138-Y184 HydrophobicContact CB-CE1 4.33Å; K138-Y184 HydrophobicContact CB-CG 3.95Å; K138-Y184 VanDerWaalsContact CD-CB 3.4Å; K138-Y184 HydrophobicContact CD-CD1 4.4Å; K138-Y184 HydrophobicContact CD-CD2 3.92Å; K138-Y184 HydrophobicContact CD-CG 3.65Å; K138-Y184 HydrophobicContact CG-CG 4.48Å; A139-Y184 HydrophobicContact CB-CE1 3.96Å; L142-Y184 HydrophobicContact CD1-CD1 3.86Å; L142-Y184 HydrophobicContact CD1-CE1 4.17Å; L181-Y184 PolarHBondContact O-N 3.36Å; A182-Y184 PolarHBondContact O-N 3.37Å |
| 185 | D | 97.7 | Very high | 97.4 | Very high | 64 Ų | 64 | 41.5 Ų | 41.5 | 34% | 0.342 | 24% | 0.236 | S | C | . | . | trans | -143.7 | 98.4 | 170.3 | -166.7 | -26.6 | 0 | 0 | 0 | 109.1 | L142 L181 S187 A188 L189 | L142-D185 HydrophobicContact CD1-CB 3.91Å; L181-D185 PolarHBondContact O-N 3.3Å; D185-S187 VanDerWaalsContact C-N 3.32Å; D185-S187 WeakPolarHBondContact OD1-CA 3.48Å; D185-S187 WeakPolarHBondContact OD1-CB 3.45Å; D185-S187 PolarHBondContact OD1-N 2.76Å; D185-A188 HydrophobicContact CB-CB 4.22Å; D185-A188 PolarHBondContact OD1-N 2.93Å; D185-L189 PolarHBondContact O-N 2.89Å | ||
| 186 | A | 96.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 41.1 Ų | 41.1 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -73.9 | -23 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A182 N190 | A182-A186 PolarHBondContact O-N 2.94Å; A186-N190 VanDerWaalsContact O-CB 3.27Å; A186-N190 WeakPolarHBondContact O-CB 3.26Å; A186-N190 PolarHBondContact O-N 3.15Å; A186-N190 VanDerWaalsContact O-N 3.13Å; A186-N190 PolarHBondContact O-ND2 2.91Å |
| 187 | S | 97.6 | Very high | 97.5 | Very high | 70 Ų | 70 | 44.2 Ų | 44.2 | 49% | 0.49 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -71.1 | -60.1 | 177.8 | -162.8 | 0 | 0 | 0 | 0 | 109 | D185 L189 N190 D191 | D185-S187 VanDerWaalsContact C-N 3.32Å; D185-S187 WeakPolarHBondContact OD1-CA 3.48Å; D185-S187 WeakPolarHBondContact OD1-CB 3.45Å; D185-S187 PolarHBondContact OD1-N 2.76Å; S187-L189 PolarHBondContact O-N 3.24Å; S187-L189 VanDerWaalsContact O-N 3.09Å; S187-N190 CarbonylContact O-C 3.34Å; S187-N190 WeakPolarHBondContact O-CA 3.44Å; S187-N190 WeakPolarHBondContact O-CB 3.41Å; S187-N190 PolarHBondContact O-N 2.97Å; S187-D191 PolarHBondContact O-N 2.99Å; S187-D191 PolarHBondContact OG-OD2 3.08Å |
| 188 | A | 97.6 | Very high | 97.5 | Very high | 24 Ų | 24 | 47.9 Ų | 47.9 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -53.8 | -39.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L142 D185 D191 I192 | L142-A188 HydrophobicContact CD1-CB 4.41Å; L142-A188 HydrophobicContact CD2-CB 4.33Å; D185-A188 HydrophobicContact CB-CB 4.22Å; D185-A188 PolarHBondContact OD1-N 2.93Å; A188-D191 PolarHBondContact O-N 3.27Å; A188-I192 WeakPolarHBondContact O-CB 3.38Å; A188-I192 WeakPolarHBondContact O-CD1 3.45Å; A188-I192 WeakPolarHBondContact O-CG1 3.39Å; A188-I192 PolarHBondContact O-N 3.37Å |
| 189 | L | 98 | Very high | 97.4 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.1 | -40.4 | 174.4 | -176.5 | 61.3 | 0 | 0 | 0 | 113.2 | L142 L174 L181 A182 D185 S187 L193 W241 | L142-L189 HydrophobicContact CD2-CB 4.07Å; L142-L189 HydrophobicContact CD2-CD1 4.47Å; L174-L189 HydrophobicContact CD2-CD1 3.76Å; L181-L189 HydrophobicContact CB-CD2 4.31Å; A182-L189 HydrophobicContact CB-CD2 3.76Å; D185-L189 PolarHBondContact O-N 2.89Å; S187-L189 PolarHBondContact O-N 3.24Å; S187-L189 VanDerWaalsContact O-N 3.09Å; L189-L193 HydrophobicContact CD1-CD1 4.33Å; L189-L193 HydrophobicContact CD1-CG 4.49Å; L189-L193 HydrophobicContact CG-CD1 4.06Å; L189-L193 WeakPolarHBondContact O-CB 3.22Å; L189-L193 WeakPolarHBondContact O-CD1 3.45Å; L189-L193 WeakPolarHBondContact O-CG 3.46Å; L189-L193 PolarHBondContact O-N 2.7Å; L189-W241 HydrophobicContact CD2-CZ2 3.88Å |
| 190 | N | 97.8 | Very high | 97.4 | Very high | 68 Ų | 68 | 43.8 Ų | 43.8 | 36% | 0.364 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.6 | -35.1 | 175.4 | -74.4 | -30.8 | 0 | 0 | 0 | 112.2 | A186 S187 L193 G194 R237 | A186-N190 VanDerWaalsContact O-CB 3.27Å; A186-N190 WeakPolarHBondContact O-CB 3.26Å; A186-N190 PolarHBondContact O-N 3.15Å; A186-N190 VanDerWaalsContact O-N 3.13Å; A186-N190 PolarHBondContact O-ND2 2.91Å; S187-N190 CarbonylContact O-C 3.34Å; S187-N190 WeakPolarHBondContact O-CA 3.44Å; S187-N190 WeakPolarHBondContact O-CB 3.41Å; S187-N190 PolarHBondContact O-N 2.97Å; N190-L193 PolarHBondContact O-N 2.65Å; N190-G194 PolarHBondContact O-N 2.81Å; N190-R237 PolarHBondContact OD1-NH2 3.15Å |
| 191 | D | 97.9 | Very high | 97.3 | Very high | 96 Ų | 96 | 47.7 Ų | 47.7 | 51% | 0.513 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.8 | -40.8 | 179.7 | -61.6 | -43.5 | 0 | 0 | 0 | 111 | S187 A188 G194 T195 | S187-D191 PolarHBondContact O-N 2.99Å; S187-D191 PolarHBondContact OG-OD2 3.08Å; A188-D191 PolarHBondContact O-N 3.27Å; D191-G194 PolarHBondContact O-N 3Å; D191-T195 PolarHBondContact O-N 3.41Å; D191-T195 VanDerWaalsContact O-N 3.07Å; D191-T195 PolarHBondContact O-OG1 2.75Å |
| 192 | I | 98.1 | Very high | 97.1 | Very high | 8 Ų | 8 | 54.7 Ų | 54.7 | 4% | 0.041 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 168.9 | -68.6 | 163.8 | 0 | 0 | 0 | 110.9 | L142 E146 A149 A188 G194 T195 I196 | L142-I192 HydrophobicContact CD2-CD1 4.1Å; E146-I192 HydrophobicContact CB-CD1 4.08Å; E146-I192 HydrophobicContact CB-CG1 4.23Å; A149-I192 HydrophobicContact CB-CG2 4.08Å; A188-I192 WeakPolarHBondContact O-CB 3.38Å; A188-I192 WeakPolarHBondContact O-CD1 3.45Å; A188-I192 WeakPolarHBondContact O-CG1 3.39Å; A188-I192 PolarHBondContact O-N 3.37Å; I192-G194 PolarHBondContact O-N 2.98Å; I192-T195 WeakPolarHBondContact O-CB 3.26Å; I192-T195 PolarHBondContact O-N 2.83Å; I192-I196 HydrophobicContact CG2-CD1 4.3Å; I192-I196 PolarHBondContact O-N 3.15Å; I192-I196 VanDerWaalsContact O-N 3.1Å |
| 193 | L | 98 | Very high | 96.9 | Very high | 2 Ų | 2 | 54.6 Ų | 54.6 | 1% | 0.01 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.3 | -36 | 179.4 | -73 | 167.9 | 0 | 0 | 0 | 112.5 | L174 L189 N190 T195 I196 E197 W230 W241 | L174-L193 HydrophobicContact CD1-CD2 3.94Å; L189-L193 HydrophobicContact CD1-CD1 4.33Å; L189-L193 HydrophobicContact CD1-CG 4.49Å; L189-L193 HydrophobicContact CG-CD1 4.06Å; L189-L193 WeakPolarHBondContact O-CB 3.22Å; L189-L193 WeakPolarHBondContact O-CD1 3.45Å; L189-L193 WeakPolarHBondContact O-CG 3.46Å; L189-L193 PolarHBondContact O-N 2.7Å; N190-L193 PolarHBondContact O-N 2.65Å; L193-T195 VanDerWaalsContact C-N 3.34Å; L193-I196 PolarHBondContact O-N 3.48Å; L193-E197 WeakPolarHBondContact O-CB 3.35Å; L193-E197 PolarHBondContact O-N 2.75Å; L193-W230 HydrophobicContact CD2-CH2 4.26Å; L193-W230 HydrophobicContact CD2-CZ3 3.9Å; L193-W241 HydrophobicContact CD1-CH2 3.92Å; L193-W241 HydrophobicContact CD1-CZ2 3.88Å |
| 194 | G | 97.7 | Very high | 96.6 | Very high | 27 Ų | 27 | 57.5 Ų | 57.5 | 28% | 0.278 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66 | -36.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | N190 D191 I192 I196 E197 V198 | N190-G194 PolarHBondContact O-N 2.81Å; D191-G194 PolarHBondContact O-N 3Å; I192-G194 PolarHBondContact O-N 2.98Å; G194-I196 VanDerWaalsContact C-N 3.35Å; G194-E197 PolarHBondContact O-N 2.77Å; G194-V198 WeakPolarHBondContact O-CB 3.2Å; G194-V198 WeakPolarHBondContact O-CG2 3.41Å; G194-V198 PolarHBondContact O-N 3.27Å |
| 195 | T | 97.3 | Very high | 96.5 | Very high | 41 Ų | 41 | 52.7 Ų | 52.7 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.9 | -43.1 | 171.7 | -61.1 | 0 | 0 | 0 | 0 | 111.3 | A149 L153 D191 I192 L193 Y199 | A149-T195 HydrophobicContact CB-CG2 4.22Å; L153-T195 HydrophobicContact CD2-CG2 3.89Å; L153-T195 HydrophobicContact CG-CG2 4.34Å; D191-T195 PolarHBondContact O-N 3.41Å; D191-T195 VanDerWaalsContact O-N 3.07Å; D191-T195 PolarHBondContact O-OG1 2.75Å; I192-T195 WeakPolarHBondContact O-CB 3.26Å; I192-T195 PolarHBondContact O-N 2.83Å; L193-T195 VanDerWaalsContact C-N 3.34Å; T195-Y199 PolarHBondContact O-N 2.91Å |
| 196 | I | 97.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -42.5 | 174.7 | -66.3 | 169.5 | 0 | 0 | 0 | 111.4 | T167 I170 L171 I192 L193 G194 V198 Y199 M200 W230 | T167-I196 HydrophobicContact CG2-CD1 4.46Å; T167-I196 HydrophobicContact CG2-CG1 4.31Å; T167-I196 HydrophobicContact CG2-CG2 3.63Å; I170-I196 HydrophobicContact CB-CD1 4.43Å; I170-I196 HydrophobicContact CD1-CD1 4.14Å; I170-I196 HydrophobicContact CG2-CD1 4.04Å; L171-I196 HydrophobicContact CD2-CD1 4.36Å; I192-I196 HydrophobicContact CG2-CD1 4.3Å; I192-I196 PolarHBondContact O-N 3.15Å; I192-I196 VanDerWaalsContact O-N 3.1Å; L193-I196 PolarHBondContact O-N 3.48Å; G194-I196 VanDerWaalsContact C-N 3.35Å; I196-V198 VanDerWaalsContact C-N 3.35Å; I196-V198 PolarHBondContact O-N 2.66Å; I196-Y199 CarbonylContact O-C 3.53Å; I196-Y199 WeakPolarHBondContact O-CA 3.35Å; I196-Y199 WeakPolarHBondContact O-CB 3.19Å; I196-Y199 PolarHBondContact O-N 2.7Å; I196-M200 HydrophobicContact CG2-CG 4.03Å; I196-M200 WeakPolarHBondContact O-CG 3.38Å; I196-M200 PolarHBondContact O-N 2.93Å; I196-W230 HydrophobicContact CB-CH2 4.42Å; I196-W230 HydrophobicContact CB-CZ3 4.09Å; I196-W230 HydrophobicContact CG2-CE3 3.78Å; I196-W230 HydrophobicContact CG2-CH2 4.11Å; I196-W230 HydrophobicContact CG2-CZ3 3.48Å; I196-W230 VanDerWaalsContact CG2-CZ3 3.48Å |
| 197 | E | 97.7 | Very high | 96.1 | Very high | 92 Ų | 92 | 49.4 Ų | 49.4 | 43% | 0.43 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.7 | -41.6 | 178.8 | -171.6 | 166 | -156.5 | 0 | 0 | 112.3 | L193 G194 Y199 M200 T201 W230 | L193-E197 WeakPolarHBondContact O-CB 3.35Å; L193-E197 PolarHBondContact O-N 2.75Å; G194-E197 PolarHBondContact O-N 2.77Å; E197-Y199 PolarHBondContact O-N 3.46Å; E197-M200 PolarHBondContact O-N 3.36Å; E197-T201 WeakPolarHBondContact O-CG2 3.36Å; E197-T201 PolarHBondContact O-N 3.22Å; E197-T201 VanDerWaalsContact O-N 3.12Å; E197-T201 PolarHBondContact O-OG1 3.13Å; E197-W230 HydrophobicContact CB-CH2 4.02Å; E197-W230 HydrophobicContact CB-CZ2 3.67Å; E197-W230 HydrophobicContact CG-CZ2 3.93Å |
| 198 | V | 96.4 | Very high | 96.1 | Very high | 77 Ų | 77 | 47 Ų | 47 | 47% | 0.467 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.4 | -21.7 | 174.3 | 169.3 | 0 | 0 | 0 | 0 | 112.9 | G194 I196 T201 K202 | G194-V198 WeakPolarHBondContact O-CB 3.2Å; G194-V198 WeakPolarHBondContact O-CG2 3.41Å; G194-V198 PolarHBondContact O-N 3.27Å; I196-V198 VanDerWaalsContact C-N 3.35Å; I196-V198 PolarHBondContact O-N 2.66Å; V198-T201 PolarHBondContact O-OG1 2.87Å; V198-K202 VanDerWaalsContact O-CD 3.27Å; V198-K202 WeakPolarHBondContact O-CD 3.41Å; V198-K202 WeakPolarHBondContact O-CE 3.49Å; V198-K202 WeakPolarHBondContact O-CG 3.4Å; V198-K202 PolarHBondContact O-NZ 3.04Å |
| 199 | Y | 96.1 | Very high | 95.9 | Very high | 10 Ų | 10 | 48.1 Ų | 48.1 | 4% | 0.039 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -83 | -49.9 | 171.6 | 169 | -100.2 | 0 | 0 | 0 | 111.8 | T152 A155 T163 D164 T195 I196 E197 T201 K202 R203 L226 | T152-Y199 HydrophobicContact CG2-CD1 4.19Å; T152-Y199 HydrophobicContact CG2-CD2 4.15Å; T152-Y199 HydrophobicContact CG2-CG 3.92Å; A155-Y199 HydrophobicContact CB-CD2 4.15Å; A155-Y199 HydrophobicContact CB-CE2 4.04Å; T163-Y199 WeakPolarHBondContact CB-OH 3.4Å; T163-Y199 HydrophobicContact CG2-CE2 4.36Å; T163-Y199 VanDerWaalsContact OG1-CE2 3.29Å; T163-Y199 WeakPolarHBondContact OG1-CE2 3.35Å; T163-Y199 PolarHBondContact OG1-OH 3.46Å; D164-Y199 PolarHBondContact N-OH 3.43Å; D164-Y199 VanDerWaalsContact N-OH 3.14Å; D164-Y199 PolarHBondContact OD1-OH 3.46Å; T195-Y199 PolarHBondContact O-N 2.91Å; I196-Y199 CarbonylContact O-C 3.53Å; I196-Y199 WeakPolarHBondContact O-CA 3.35Å; I196-Y199 WeakPolarHBondContact O-CB 3.19Å; I196-Y199 PolarHBondContact O-N 2.7Å; E197-Y199 PolarHBondContact O-N 3.46Å; Y199-T201 PolarHBondContact O-N 3.32Å; Y199-K202 PolarHBondContact O-N 3.04Å; Y199-R203 PolarHBondContact O-N 3.4Å; Y199-R203 VanDerWaalsContact O-N 3.13Å; Y199-L226 HydrophobicContact CE1-CD2 4.31Å |
| 200 | M | 96.4 | Very high | 95.8 | Very high | 21 Ų | 21 | 48 Ų | 48 | 10% | 0.103 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.7 | -35.8 | 179.7 | -65.6 | -54.9 | -65.5 | 0 | 0 | 112.3 | T167 I196 E197 K202 L226 D227 W230 | T167-M200 HydrophobicContact CG2-SD 4.47Å; I196-M200 HydrophobicContact CG2-CG 4.03Å; I196-M200 WeakPolarHBondContact O-CG 3.38Å; I196-M200 PolarHBondContact O-N 2.93Å; E197-M200 PolarHBondContact O-N 3.36Å; M200-K202 PolarHBondContact O-N 3.03Å; M200-L226 HydrophobicContact CE-CB 4.23Å; M200-L226 HydrophobicContact CE-CD2 4.1Å; M200-L226 HydrophobicContact CE-CG 3.87Å; M200-L226 HydrophobicContact SD-CD2 3.68Å; M200-L226 HydrophobicContact SD-CG 3.91Å; M200-D227 WeakPolarHBondContact CE-OD1 3.42Å; M200-W230 HydrophobicContact CE-CB 4.08Å; M200-W230 HydrophobicContact CE-CG 4.48Å; M200-W230 HydrophobicContact CG-CD2 4.16Å; M200-W230 HydrophobicContact CG-CG 4.14Å |
| 201 | T | 94.7 | Very high | 95.7 | Very high | 113 Ų | 113 | 45 Ų | 45 | 69% | 0.693 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -10.7 | 176.3 | 47.5 | 0 | 0 | 0 | 0 | 115.3 | E197 V198 Y199 | E197-T201 WeakPolarHBondContact O-CG2 3.36Å; E197-T201 PolarHBondContact O-N 3.22Å; E197-T201 VanDerWaalsContact O-N 3.12Å; E197-T201 PolarHBondContact O-OG1 3.13Å; V198-T201 PolarHBondContact O-OG1 2.87Å; Y199-T201 PolarHBondContact O-N 3.32Å |
| 202 | K | 93.1 | Very high | 95.7 | Very high | 148 Ų | 148 | 41.8 Ų | 41.8 | 64% | 0.643 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -16.2 | 179.8 | -61.8 | 171.8 | -169.7 | 161.4 | 0 | 113.6 | V198 Y199 M200 | V198-K202 VanDerWaalsContact O-CD 3.27Å; V198-K202 WeakPolarHBondContact O-CD 3.41Å; V198-K202 WeakPolarHBondContact O-CE 3.49Å; V198-K202 WeakPolarHBondContact O-CG 3.4Å; V198-K202 PolarHBondContact O-NZ 3.04Å; Y199-K202 PolarHBondContact O-N 3.04Å; M200-K202 PolarHBondContact O-N 3.03Å |
| 203 | R | 93.4 | Very high | 95.7 | Very high | 23 Ų | 23 | 41.7 Ų | 41.7 | 9% | 0.087 | 23% | 0.228 | C | C | . | . | trans | -61.6 | 145.9 | -177.4 | -173.1 | 174.5 | 171.9 | -101.4 | -2.1 | 111.1 | Q160 D164 Y199 C205 D224 D227 | Q160-R203 HydrophobicContact CG-CG 4.33Å; D164-R203 IonicContact OD1-CZ 2.68Å; D164-R203 IonicContact OD1-NE 3.99Å; D164-R203 PolarHBondContact OD1-NE 3.17Å; D164-R203 IonicContact OD1-NH2 3.28Å; D164-R203 IonicContact OD2-CZ 3.99Å; D164-R203 IonicContact OD2-NE 3.7Å; D164-R203 PolarHBondContact OD2-NE 3.47Å; D164-R203 IonicContact OD2-NH2 3.84Å; D164-R203 PolarHBondContact OD2-NH2 3.26Å; Y199-R203 PolarHBondContact O-N 3.4Å; Y199-R203 VanDerWaalsContact O-N 3.13Å; R203-C205 PolarHBondContact NH1-SG 3.23Å; R203-D224 IonicContact CZ-OD1 3.21Å; R203-D224 IonicContact CZ-OD2 3.18Å; R203-D224 VanDerWaalsContact CZ-OD2 3.3Å; R203-D224 IonicContact NH1-OD1 3.27Å; R203-D224 IonicContact NH1-OD2 2.88Å; R203-D224 PolarHBondContact NH1-OD2 3.44Å; R203-D224 VanDerWaalsContact NH2-CG 3.32Å; R203-D224 IonicContact NH2-OD1 2.74Å; R203-D224 PolarHBondContact NH2-OD1 2.7Å; R203-D224 IonicContact NH2-OD2 3.32Å; R203-D224 PolarHBondContact NH2-OD2 3.26Å; R203-D227 IonicContact NH1-OD1 2.93Å; R203-D227 PolarHBondContact NH1-OD1 2.68Å; R203-D227 IonicContact NH1-OD2 2.69Å | ||
| 204 | Q | 92.4 | Very high | 95.7 | Very high | 133 Ų | 133 | 41.9 Ų | 41.9 | 62% | 0.621 | 23% | 0.229 | S | C | * | . | trans | -113.7 | 129.1 | 179.9 | -59.9 | -173.1 | 20.7 | 0 | 0 | 110.5 | Q160 P206 | Q160-Q204 PolarHBondContact NE2-O 3.35Å; Q160-Q204 PolarHBondContact OE1-O 2.86Å; Q204-P206 WeakPolarHBondContact O-CD 3.48Å | ||
| 205 | C | 94.4 | Very high | 95.5 | Very high | 37 Ų | 37 | 44.5 Ų | 44.5 | 25% | 0.25 | 23% | 0.234 | C | C | . | . | trans | -111.9 | 33.3 | -174.9 | -51.3 | 0 | 0 | 0 | 0 | 116.1 | R203 H207 V208 D227 | R203-C205 PolarHBondContact NH1-SG 3.23Å; C205-H207 PolarHBondContact O-N 3.47Å; C205-V208 HydrophobicContact CB-CG2 3.85Å; C205-V208 WeakPolarHBondContact O-CB 3.2Å; C205-V208 VanDerWaalsContact O-CG2 3.27Å; C205-V208 WeakPolarHBondContact O-CG2 3.24Å; C205-V208 PolarHBondContact O-N 3.02Å; C205-D227 PolarHBondContact SG-OD2 2.85Å | ||
| 206 | P | 93 | Very high | 95.3 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 29% | 0.292 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.4 | -176 | 22.2 | -27.8 | 0 | 0 | 0 | 113.4 | Q204 V208 S209 Q1007 | Q204-P206 WeakPolarHBondContact O-CD 3.48Å; P206-V208 PolarHBondContact O-N 3.34Å; P206-V208 VanDerWaalsContact O-N 3.08Å; P206-S209 PolarHBondContact O-N 3.05Å; P206-S209 VanDerWaalsContact O-N 3.14Å; P206-Q1007 WeakPolarHBondContact O-CG 3.4Å |
| 207 | H | 93.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -54 | -25.2 | 172 | 54.3 | -90.8 | 0 | 0 | 0 | 113.9 | C205 S209 L210 L211 D224 P282 S1010 L1011 | C205-H207 PolarHBondContact O-N 3.47Å; H207-S209 VanDerWaalsContact C-N 3.25Å; H207-S209 PolarHBondContact O-N 3.09Å; H207-L210 PolarHBondContact O-N 3.43Å; H207-L211 HydrophobicContact CB-CD1 4.44Å; H207-L211 WeakPolarHBondContact O-CG 3.5Å; H207-L211 PolarHBondContact O-N 2.82Å; H207-D224 IonicContact CD2-OD1 2.74Å; H207-D224 IonicContact CE1-OD1 2.89Å; H207-D224 IonicContact NE2-OD1 2.7Å; H207-D224 PolarHBondContact NE2-OD1 3.21Å; H207-P282 HydrophobicContact CB-CG 4.26Å; H207-S1010 PolarHBondContact N-OG 2.88Å; H207-L1011 HydrophobicContact CB-CD2 3.73Å |
| 208 | V | 96.1 | Very high | 94.9 | Very high | 21 Ų | 21 | 49.5 Ų | 49.5 | 13% | 0.127 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.2 | -39.4 | 177.5 | 175 | 0 | 0 | 0 | 0 | 111.6 | C205 P206 L210 L211 R212 D224 V284 | C205-V208 HydrophobicContact CB-CG2 3.85Å; C205-V208 WeakPolarHBondContact O-CB 3.2Å; C205-V208 VanDerWaalsContact O-CG2 3.27Å; C205-V208 WeakPolarHBondContact O-CG2 3.24Å; C205-V208 PolarHBondContact O-N 3.02Å; P206-V208 PolarHBondContact O-N 3.34Å; P206-V208 VanDerWaalsContact O-N 3.08Å; V208-L210 VanDerWaalsContact C-N 3.25Å; V208-L210 PolarHBondContact O-N 2.82Å; V208-L211 PolarHBondContact O-N 3.28Å; V208-R212 VanDerWaalsContact O-CB 3.28Å; V208-R212 WeakPolarHBondContact O-CB 3.25Å; V208-R212 WeakPolarHBondContact O-CG 3.34Å; V208-R212 PolarHBondContact O-N 2.77Å; V208-D224 HydrophobicContact CG2-CB 3.67Å; V208-V284 HydrophobicContact CB-CG2 4.21Å; V208-V284 HydrophobicContact CG1-CG2 4.07Å; V208-V284 HydrophobicContact CG2-CG2 4.14Å |
| 209 | S | 94.2 | Very high | 94.8 | Very high | 47 Ų | 47 | 48 Ų | 48 | 33% | 0.329 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -67.7 | -26.2 | 178.3 | 179 | 0 | 0 | 0 | 0 | 112.5 | P206 H207 K428 Q1007 | P206-S209 PolarHBondContact O-N 3.05Å; P206-S209 VanDerWaalsContact O-N 3.14Å; H207-S209 VanDerWaalsContact C-N 3.25Å; H207-S209 PolarHBondContact O-N 3.09Å; S209-K428 WeakPolarHBondContact O-CE 3.49Å; S209-K428 PolarHBondContact O-NZ 3.02Å; S209-Q1007 VanDerWaalsContact CB-NE2 3.32Å; S209-Q1007 PolarHBondContact OG-NE2 3.45Å; S209-Q1007 VanDerWaalsContact OG-NE2 3.07Å |
| 210 | L | 95 | Very high | 94.8 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -84.5 | -35.6 | 176.3 | -173.9 | 67.3 | 0 | 0 | 0 | 112.5 | H207 V208 K428 V973 V976 L977 V1004 Q1007 L1008 L1011 | H207-L210 PolarHBondContact O-N 3.43Å; V208-L210 VanDerWaalsContact C-N 3.25Å; V208-L210 PolarHBondContact O-N 2.82Å; L210-K428 WeakPolarHBondContact O-CE 3.29Å; L210-V973 HydrophobicContact CD1-CB 4.41Å; L210-V973 HydrophobicContact CD1-CG1 3.85Å; L210-V973 HydrophobicContact CD1-CG2 4.12Å; L210-V976 HydrophobicContact CD1-CG1 4.36Å; L210-V976 HydrophobicContact CD2-CG1 4.39Å; L210-L977 HydrophobicContact CD1-CD2 4.38Å; L210-L977 HydrophobicContact CD1-CG 4.4Å; L210-L977 HydrophobicContact CD2-CD2 4.11Å; L210-L977 HydrophobicContact CG-CD2 3.86Å; L210-L977 HydrophobicContact CG-CG 4.4Å; L210-V1004 HydrophobicContact CD1-CG1 4.13Å; L210-Q1007 HydrophobicContact CB-CB 3.73Å; L210-Q1007 HydrophobicContact CB-CG 4.47Å; L210-Q1007 HydrophobicContact CD2-CB 4.1Å; L210-Q1007 HydrophobicContact CG-CB 4.37Å; L210-L1008 HydrophobicContact CD2-CB 4.45Å; L210-L1011 HydrophobicContact CD2-CD1 3.82Å; L210-L1011 HydrophobicContact CD2-CG 4.2Å |
| 211 | L | 97 | Very high | 94.8 | Very high | 5 Ų | 5 | 50 Ų | 50 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -95.1 | -17 | -172 | -62.1 | -176.5 | 0 | 0 | 0 | 115.4 | H207 V208 P282 V284 L381 P382 L977 L1011 | H207-L211 HydrophobicContact CB-CD1 4.44Å; H207-L211 WeakPolarHBondContact O-CG 3.5Å; H207-L211 PolarHBondContact O-N 2.82Å; V208-L211 PolarHBondContact O-N 3.28Å; L211-P282 WeakPolarHBondContact CD1-O 3.41Å; L211-V284 HydrophobicContact CB-CB 4.26Å; L211-V284 HydrophobicContact CB-CG2 3.7Å; L211-L381 HydrophobicContact CD2-CB 4.09Å; L211-P382 HydrophobicContact CD2-CG 4.08Å; L211-L977 HydrophobicContact CD2-CD2 3.91Å; L211-L1011 HydrophobicContact CD1-CD2 3.68Å; L211-L1011 HydrophobicContact CD2-CD2 3.91Å; L211-L1011 HydrophobicContact CG-CD2 3.88Å |
| 212 | R | 97.3 | Very high | 94.9 | Very high | 27 Ų | 27 | 44.7 Ų | 44.7 | 10% | 0.102 | 24% | 0.238 | C | C | . | . | trans | -66.8 | 142.3 | -179.7 | 63.7 | -174.9 | 2.8 | -141.6 | -2 | 113.3 | V208 W214 E215 N217 Q222 V284 K428 | V208-R212 VanDerWaalsContact O-CB 3.28Å; V208-R212 WeakPolarHBondContact O-CB 3.25Å; V208-R212 WeakPolarHBondContact O-CG 3.34Å; V208-R212 PolarHBondContact O-N 2.77Å; R212-W214 WeakPolarHBondContact CD-O 3.33Å; R212-W214 VanDerWaalsContact CG-O 3.27Å; R212-W214 WeakPolarHBondContact CG-O 3.43Å; R212-E215 PolarHBondContact NH1-O 2.98Å; R212-N217 PolarHBondContact NH1-OD1 3.07Å; R212-N217 PolarHBondContact NH2-OD1 2.81Å; R212-Q222 HydrophobicContact CB-CB 3.76Å; R212-Q222 HydrophobicContact CB-CG 4.41Å; R212-Q222 PolarHBondContact NH2-O 3.11Å; R212-V284 HydrophobicContact CB-CG1 4.02Å; R212-K428 WeakPolarHBondContact O-CD 3.21Å; R212-K428 WeakPolarHBondContact O-CE 3.4Å | ||
| 213 | V | 97.8 | Very high | 95.1 | Very high | 7 Ų | 7 | 39.7 Ų | 39.7 | 4% | 0.042 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -74.3 | -35.9 | 178.2 | 175 | 0 | 0 | 0 | 0 | 112 | F286 F379 M427 K428 C431 | V213-F286 HydrophobicContact CB-CD2 4.15Å; V213-F286 HydrophobicContact CB-CE2 4.37Å; V213-F286 HydrophobicContact CG1-CD2 4.4Å; V213-F286 HydrophobicContact CG1-CE2 4.12Å; V213-F286 HydrophobicContact CG2-CD2 3.85Å; V213-F286 HydrophobicContact CG2-CE2 4.34Å; V213-F379 HydrophobicContact CG1-CB 4.22Å; V213-F379 HydrophobicContact CG2-CB 3.76Å; V213-M427 HydrophobicContact CG1-CE 4.49Å; V213-M427 HydrophobicContact CG1-CG 4.09Å; V213-M427 CarbonylContact O-C 3.19Å; V213-M427 WeakPolarHBondContact O-CA 3.36Å; V213-K428 PolarHBondContact O-N 3.49Å; V213-C431 HydrophobicContact CG1-CB 4.05Å |
| 214 | W | 97.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 2% | 0.023 | 21% | 0.213 | C | C | . | . | B | Isolated β-bridge | trans | -118.2 | 140.8 | 175.2 | -67.8 | -81.9 | 0 | 0 | 0 | 111.4 | R212 S216 Q222 F286 M288 L420 R423 T426 M427 | R212-W214 WeakPolarHBondContact CD-O 3.33Å; R212-W214 VanDerWaalsContact CG-O 3.27Å; R212-W214 WeakPolarHBondContact CG-O 3.43Å; W214-S216 VanDerWaalsContact C-N 3.34Å; W214-Q222 HydrophobicContact CB-CG 4.32Å; W214-Q222 HydrophobicContact CE3-CG 4.12Å; W214-F286 HydrophobicContact CE3-CE2 4.36Å; W214-F286 HydrophobicContact CH2-CD2 4.39Å; W214-F286 AromaticContact CH2-CE2 3.43Å; W214-F286 HydrophobicContact CH2-CE2 3.43Å; W214-F286 VanDerWaalsContact CH2-CE2 3.43Å; W214-F286 AromaticContact CH2-CZ 3.69Å; W214-F286 HydrophobicContact CH2-CZ 3.69Å; W214-F286 AromaticContact CZ3-CD2 3.83Å; W214-F286 HydrophobicContact CZ3-CD2 3.83Å; W214-F286 AromaticContact CZ3-CE2 3.3Å; W214-F286 HydrophobicContact CZ3-CE2 3.3Å; W214-F286 AromaticContact CZ3-CZ 3.91Å; W214-F286 HydrophobicContact CZ3-CZ 3.91Å; W214-M288 HydrophobicContact CH2-CB 3.93Å; W214-M288 HydrophobicContact CZ3-CB 4.35Å; W214-L420 HydrophobicContact CH2-CD2 3.96Å; W214-L420 HydrophobicContact CZ2-CD2 3.83Å; W214-R423 VanDerWaalsContact CD1-O 3.22Å; W214-R423 HydrophobicContact CZ2-CB 4.34Å; W214-R423 VanDerWaalsContact NE1-CB 3.33Å; W214-R423 PolarHBondContact NE1-O 3.08Å; W214-T426 CarbonylContact C-O 3.56Å; W214-T426 VanDerWaalsContact CA-O 3.32Å; W214-T426 WeakPolarHBondContact CA-O 3.43Å; W214-M427 HydrophobicContact CZ2-CE 3.63Å |
| 215 | E | 93.7 | Very high | 95.6 | Very high | 82 Ų | 82 | 33.7 Ų | 33.7 | 38% | 0.383 | 19% | 0.189 | S | C | . | . | S | Bend | trans | -74.2 | -27.3 | 171.2 | -54.9 | -64.4 | -174 | 0 | 0 | 112.1 | R212 T426 K428 | R212-E215 PolarHBondContact NH1-O 2.98Å; E215-T426 PolarHBondContact N-O 3.45Å; E215-K428 IonicContact OE1-NZ 3.48Å; E215-K428 PolarHBondContact OE1-NZ 3.08Å; E215-K428 IonicContact OE2-NZ 3.48Å |
| 216 | S | 94.5 | Very high | 95.8 | Very high | 36 Ų | 36 | 31.9 Ų | 31.9 | 25% | 0.252 | 18% | 0.177 | S | C | . | . | trans | -66.9 | 149.9 | 174.9 | -172.5 | 0 | 0 | 0 | 0 | 112.6 | W214 D218 | W214-S216 VanDerWaalsContact C-N 3.34Å; S216-D218 PolarHBondContact OG-N 2.97Å; S216-D218 PolarHBondContact OG-O 3.13Å | ||
| 217 | N | 94.3 | Very high | 96 | Very high | 97 Ų | 97 | 32.5 Ų | 32.5 | 52% | 0.519 | 18% | 0.177 | S | C | . | . | trans | -99.9 | -13 | 163.3 | -70 | -21.1 | 0 | 0 | 0 | 113 | R212 H220 P221 | R212-N217 PolarHBondContact NH1-OD1 3.07Å; R212-N217 PolarHBondContact NH2-OD1 2.81Å; N217-H220 CarbonylContact O-C 3.56Å; N217-H220 PolarHBondContact O-N 3.44Å; N217-P221 HydrophobicContact CB-CB 4.31Å; N217-P221 VanDerWaalsContact O-N 3.15Å | ||
| 218 | D | 92.6 | Very high | 96.2 | Very high | 105 Ų | 105 | 32.5 Ų | 32.5 | 56% | 0.561 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -95 | 136.9 | 172.6 | -174.5 | 78.2 | 0 | 0 | 0 | 110.3 | S216 | S216-D218 PolarHBondContact OG-N 2.97Å; S216-D218 PolarHBondContact OG-O 3.13Å |
| 219 | P | 93.5 | Very high | 96.3 | Very high | 44 Ų | 44 | 31.6 Ų | 31.6 | 29% | 0.286 | 17% | 0.172 | S | C | . | . | S | Bend | cis | -84.7 | -8.1 | -4.6 | 34.4 | -35.5 | 0 | 0 | 0 | 114.2 | R423 | P219-R423 VanDerWaalsContact CG-NH2 3.32Š|
| 220 | H | 95.3 | Very high | 96.5 | Very high | 19 Ų | 19 | 31 Ų | 31 | 9% | 0.088 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -135.1 | 125.9 | 178 | -41.2 | -45.2 | 0 | 0 | 0 | 111.3 | N217 Q222 R287 M288 D290 R423 | N217-H220 CarbonylContact O-C 3.56Å; N217-H220 PolarHBondContact O-N 3.44Å; H220-Q222 PolarHBondContact O-NE2 3.35Å; H220-R287 HydrophobicContact CB-CB 4.16Å; H220-R287 HydrophobicContact CB-CG 4.14Å; H220-M288 PolarHBondContact CD2-O 2.95Å; H220-M288 PolarHBondContact NE2-O 2.92Å; H220-D290 IonicContact CE1-OD2 2.73Å; H220-D290 PolarHBondContact CE1-OD2 3.44Å; H220-R423 PolarHBondContact CD2-NH1 3.38Å; H220-R423 VanDerWaalsContact CD2-NH1 3.32Å |
| 221 | P | 96.4 | Very high | 96.7 | Very high | 54 Ų | 54 | 32.3 Ų | 32.3 | 35% | 0.351 | 17% | 0.174 | S | C | . | . | trans | -65.7 | 139.6 | 173.6 | 28.9 | -34.2 | 0 | 0 | 0 | 110 | N217 E223 | N217-P221 HydrophobicContact CB-CB 4.31Å; N217-P221 VanDerWaalsContact O-N 3.15Å; P221-E223 HydrophobicContact CB-CG 4Å; P221-E223 HydrophobicContact CG-CG 3.97Å; P221-E223 PolarHBondContact O-N 3.1Å | ||
| 222 | Q | 97.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 1% | 0.009 | 17% | 0.174 | C | C | . | . | trans | -91 | 97.4 | 168.6 | -50.8 | -56 | -75.7 | 0 | 0 | 106.7 | R212 W214 H220 V284 R287 | R212-Q222 HydrophobicContact CB-CB 3.76Å; R212-Q222 HydrophobicContact CB-CG 4.41Å; R212-Q222 PolarHBondContact NH2-O 3.11Å; W214-Q222 HydrophobicContact CB-CG 4.32Å; W214-Q222 HydrophobicContact CE3-CG 4.12Å; H220-Q222 PolarHBondContact O-NE2 3.35Å; Q222-V284 HydrophobicContact CB-CG1 3.65Å; Q222-R287 PolarHBondContact NE2-O 3.35Å; Q222-R287 VanDerWaalsContact OE1-N 3.08Å | ||
| 223 | E | 97.6 | Very high | 96.8 | Very high | 44 Ų | 44 | 31.1 Ų | 31.1 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | trans | -90.2 | 154 | -168.4 | -62 | 177.7 | -88.9 | 0 | 0 | 112.4 | P221 C228 V284 I285 H326 | P221-E223 HydrophobicContact CB-CG 4Å; P221-E223 HydrophobicContact CG-CG 3.97Å; P221-E223 PolarHBondContact O-N 3.1Å; E223-C228 HydrophobicContact CB-CB 4.05Å; E223-C228 PolarHBondContact OE1-SG 2.91Å; E223-V284 CarbonylContact O-C 3.27Å; E223-V284 VanDerWaalsContact O-CA 3.3Å; E223-V284 WeakPolarHBondContact O-CA 3.4Å; E223-V284 WeakPolarHBondContact O-CG1 3.41Å; E223-I285 PolarHBondContact O-N 3.5Å; E223-H326 VanDerWaalsContact CD-NE2 3.26Å; E223-H326 IonicContact OE1-CD2 2.83Å; E223-H326 IonicContact OE1-CE1 3.87Å; E223-H326 IonicContact OE1-NE2 3.37Å; E223-H326 PolarHBondContact OE1-NE2 2.96Å; E223-H326 IonicContact OE2-CD2 3.85Å; E223-H326 IonicContact OE2-CE1 3.71Å; E223-H326 IonicContact OE2-NE2 2.78Å; E223-H326 PolarHBondContact OE2-NE2 3.19Å | ||
| 224 | D | 97.8 | Very high | 96.8 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -61.1 | 141.2 | 166.7 | 176.9 | 90.6 | 0 | 0 | 0 | 111 | R203 H207 V208 L226 D227 C228 | R203-D224 IonicContact CZ-OD1 3.21Å; R203-D224 IonicContact CZ-OD2 3.18Å; R203-D224 VanDerWaalsContact CZ-OD2 3.3Å; R203-D224 IonicContact NH1-OD1 3.27Å; R203-D224 IonicContact NH1-OD2 2.88Å; R203-D224 PolarHBondContact NH1-OD2 3.44Å; R203-D224 VanDerWaalsContact NH2-CG 3.32Å; R203-D224 IonicContact NH2-OD1 2.74Å; R203-D224 PolarHBondContact NH2-OD1 2.7Å; R203-D224 IonicContact NH2-OD2 3.32Å; R203-D224 PolarHBondContact NH2-OD2 3.26Å; H207-D224 IonicContact CD2-OD1 2.74Å; H207-D224 IonicContact CE1-OD1 2.89Å; H207-D224 IonicContact NE2-OD1 2.7Å; H207-D224 PolarHBondContact NE2-OD1 3.21Å; V208-D224 HydrophobicContact CG2-CB 3.67Å; D224-L226 VanDerWaalsContact C-N 3.34Å; D224-L226 PolarHBondContact O-N 2.77Å; D224-L226 WeakPolarHBondContact OD2-CA 3.48Å; D224-L226 WeakPolarHBondContact OD2-CB 3.43Å; D224-L226 PolarHBondContact OD2-N 3.26Å; D224-D227 HydrophobicContact CB-CB 4.11Å; D224-D227 WeakPolarHBondContact CB-OD2 3.5Å; D224-D227 PolarHBondContact O-N 2.8Å; D224-D227 PolarHBondContact OD2-N 2.99Å; D224-D227 VanDerWaalsContact OD2-N 3.14Å; D224-C228 VanDerWaalsContact O-CB 3.22Å; D224-C228 WeakPolarHBondContact O-CB 3.27Å; D224-C228 PolarHBondContact O-N 3.21Å |
| 225 | Y | 97.9 | Very high | 96.8 | Very high | 26 Ų | 26 | 35.8 Ų | 35.8 | 10% | 0.102 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.9 | -35.5 | -176.4 | 81.5 | -64.4 | 0 | 0 | 0 | 114.9 | D164 Y168 L229 P282 S283 | D164-Y225 WeakPolarHBondContact CB-OH 3.46Å; D164-Y225 PolarHBondContact OD2-OH 3.01Å; Y168-Y225 AromaticContact CD2-CD2 3.74Å; Y168-Y225 HydrophobicContact CD2-CD2 3.74Å; Y168-Y225 AromaticContact CD2-CE2 3.47Å; Y168-Y225 HydrophobicContact CD2-CE2 3.47Å; Y168-Y225 VanDerWaalsContact CD2-CE2 3.47Å; Y168-Y225 AromaticContact CE2-CD2 3.95Å; Y168-Y225 HydrophobicContact CE2-CD2 3.95Å; Y168-Y225 HydrophobicContact CE2-CE2 4.08Å; Y168-Y225 AromaticContact CG-CE2 3.86Å; Y168-Y225 HydrophobicContact CG-CE2 3.86Å; Y225-L229 WeakPolarHBondContact O-CB 3.41Å; Y225-L229 PolarHBondContact O-N 3.29Å; Y225-L229 VanDerWaalsContact O-N 3.09Å; Y225-P282 HydrophobicContact CD1-CB 4.43Å; Y225-P282 HydrophobicContact CE1-CB 3.92Å; Y225-S283 WeakPolarHBondContact CB-O 3.5Å; Y225-S283 WeakPolarHBondContact CB-OG 3.38Å; Y225-S283 WeakPolarHBondContact CD1-O 3.27Å; Y225-S283 PolarHBondContact N-O 2.99Å |
| 226 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -84 | -37.2 | -177.9 | -162.1 | 69.1 | 0 | 0 | 0 | 111 | T167 Y168 L171 Y199 M200 D224 L229 W230 | T167-L226 HydrophobicContact CG2-CD1 4.14Å; T167-L226 HydrophobicContact CG2-CD2 4.14Å; T167-L226 HydrophobicContact CG2-CG 4.46Å; Y168-L226 HydrophobicContact CD2-CD1 4.38Å; L171-L226 HydrophobicContact CD1-CD1 3.99Å; Y199-L226 HydrophobicContact CE1-CD2 4.31Å; M200-L226 HydrophobicContact CE-CB 4.23Å; M200-L226 HydrophobicContact CE-CD2 4.1Å; M200-L226 HydrophobicContact CE-CG 3.87Å; M200-L226 HydrophobicContact SD-CD2 3.68Å; M200-L226 HydrophobicContact SD-CG 3.91Å; D224-L226 VanDerWaalsContact C-N 3.34Å; D224-L226 PolarHBondContact O-N 2.77Å; D224-L226 WeakPolarHBondContact OD2-CA 3.48Å; D224-L226 WeakPolarHBondContact OD2-CB 3.43Å; D224-L226 PolarHBondContact OD2-N 3.26Å; L226-L229 PolarHBondContact O-N 2.9Å; L226-W230 VanDerWaalsContact O-CB 3.25Å; L226-W230 WeakPolarHBondContact O-CB 3.31Å; L226-W230 PolarHBondContact O-N 3.07Å |
| 227 | D | 97.9 | Very high | 97.2 | Very high | 57 Ų | 57 | 34.4 Ų | 34.4 | 31% | 0.305 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 174.3 | -59.7 | -18.9 | 0 | 0 | 0 | 110.5 | M200 R203 C205 D224 W230 A231 | M200-D227 WeakPolarHBondContact CE-OD1 3.42Å; R203-D227 IonicContact NH1-OD1 2.93Å; R203-D227 PolarHBondContact NH1-OD1 2.68Å; R203-D227 IonicContact NH1-OD2 2.69Å; C205-D227 PolarHBondContact SG-OD2 2.85Å; D224-D227 HydrophobicContact CB-CB 4.11Å; D224-D227 WeakPolarHBondContact CB-OD2 3.5Å; D224-D227 PolarHBondContact O-N 2.8Å; D224-D227 PolarHBondContact OD2-N 2.99Å; D224-D227 VanDerWaalsContact OD2-N 3.14Å; D227-W230 PolarHBondContact O-N 3.25Å; D227-A231 PolarHBondContact O-N 3.31Å; D227-A231 VanDerWaalsContact O-N 3.07Å |
| 228 | C | 98.2 | Very high | 97.3 | Very high | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.007 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66.1 | -43.2 | 176.2 | -164.7 | 0 | 0 | 0 | 0 | 111.8 | E223 D224 A231 Q232 I285 | E223-C228 HydrophobicContact CB-CB 4.05Å; E223-C228 PolarHBondContact OE1-SG 2.91Å; D224-C228 VanDerWaalsContact O-CB 3.22Å; D224-C228 WeakPolarHBondContact O-CB 3.27Å; D224-C228 PolarHBondContact O-N 3.21Å; C228-A231 PolarHBondContact O-N 3.02Å; C228-Q232 VanDerWaalsContact O-CG 3.26Å; C228-Q232 WeakPolarHBondContact O-CG 3.38Å; C228-Q232 PolarHBondContact O-N 3.29Å; C228-I285 HydrophobicContact CB-CG1 3.93Å |
| 229 | L | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 33.5 Ų | 33.5 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -66.3 | -37.2 | 175.8 | -179.7 | 59 | 0 | 0 | 0 | 112.2 | Y168 L171 Y225 L226 Q232 I233 I328 F331 | Y168-L229 HydrophobicContact CD2-CD2 3.64Å; Y168-L229 HydrophobicContact CE2-CD2 3.79Å; L171-L229 HydrophobicContact CB-CD2 3.62Å; L171-L229 HydrophobicContact CB-CG 3.94Å; L171-L229 HydrophobicContact CD1-CD2 4.35Å; L171-L229 HydrophobicContact CD1-CG 4.25Å; Y225-L229 WeakPolarHBondContact O-CB 3.41Å; Y225-L229 PolarHBondContact O-N 3.29Å; Y225-L229 VanDerWaalsContact O-N 3.09Å; L226-L229 PolarHBondContact O-N 2.9Å; L229-Q232 PolarHBondContact O-N 3.02Å; L229-I233 HydrophobicContact CD1-CG1 4.1Å; L229-I233 HydrophobicContact CG-CG1 4.39Å; L229-I233 WeakPolarHBondContact O-CG1 3.37Å; L229-I233 PolarHBondContact O-N 3.32Å; L229-I328 HydrophobicContact CD1-CD1 3.96Å; L229-F331 HydrophobicContact CD1-CD1 3.91Å; L229-F331 HydrophobicContact CD1-CD2 4.04Å; L229-F331 HydrophobicContact CD1-CE1 3.81Å; L229-F331 HydrophobicContact CD1-CE2 3.96Å; L229-F331 HydrophobicContact CD1-CG 4.02Å; L229-F331 HydrophobicContact CD1-CZ 3.84Å; L229-F331 HydrophobicContact CD2-CE2 4.26Å; L229-F331 HydrophobicContact CD2-CZ 4.17Å |
| 230 | W | 98.4 | Very high | 97.6 | Very high | 34 Ų | 34 | 33.3 Ų | 33.3 | 13% | 0.129 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -61.1 | -45.6 | 173.8 | 179.5 | -113.5 | 0 | 0 | 0 | 111.3 | L171 L193 I196 E197 M200 L226 D227 Q232 I233 C234 | L171-W230 HydrophobicContact CD1-CE3 4.21Å; L171-W230 HydrophobicContact CD2-CE3 3.92Å; L171-W230 HydrophobicContact CD2-CZ3 4.1Å; L193-W230 HydrophobicContact CD2-CH2 4.26Å; L193-W230 HydrophobicContact CD2-CZ3 3.9Å; I196-W230 HydrophobicContact CB-CH2 4.42Å; I196-W230 HydrophobicContact CB-CZ3 4.09Å; I196-W230 HydrophobicContact CG2-CE3 3.78Å; I196-W230 HydrophobicContact CG2-CH2 4.11Å; I196-W230 HydrophobicContact CG2-CZ3 3.48Å; I196-W230 VanDerWaalsContact CG2-CZ3 3.48Å; E197-W230 HydrophobicContact CB-CH2 4.02Å; E197-W230 HydrophobicContact CB-CZ2 3.67Å; E197-W230 HydrophobicContact CG-CZ2 3.93Å; M200-W230 HydrophobicContact CE-CB 4.08Å; M200-W230 HydrophobicContact CE-CG 4.48Å; M200-W230 HydrophobicContact CG-CD2 4.16Å; M200-W230 HydrophobicContact CG-CG 4.14Å; L226-W230 VanDerWaalsContact O-CB 3.25Å; L226-W230 WeakPolarHBondContact O-CB 3.31Å; L226-W230 PolarHBondContact O-N 3.07Å; D227-W230 PolarHBondContact O-N 3.25Å; W230-Q232 VanDerWaalsContact C-N 3.34Å; W230-Q232 PolarHBondContact O-N 3.02Å; W230-I233 PolarHBondContact O-N 2.77Å; W230-C234 WeakPolarHBondContact O-CB 3.43Å; W230-C234 PolarHBondContact O-N 3.11Å; W230-C234 PolarHBondContact O-SG 3Å |
| 231 | A | 98.3 | Very high | 97.7 | Very high | 28 Ų | 28 | 33.5 Ų | 33.5 | 23% | 0.231 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | D227 C228 C234 N235 H326 | D227-A231 PolarHBondContact O-N 3.31Å; D227-A231 VanDerWaalsContact O-N 3.07Å; C228-A231 PolarHBondContact O-N 3.02Å; A231-C234 PolarHBondContact O-N 3.01Å; A231-N235 WeakPolarHBondContact O-CB 3.35Å; A231-N235 VanDerWaalsContact O-CG 3.31Å; A231-N235 PolarHBondContact O-N 3.03Å; A231-N235 PolarHBondContact O-ND2 3.28Å; A231-H326 HydrophobicContact CB-CB 4.41Å |
| 232 | Q | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 2% | 0.023 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -40 | 175.9 | -67.8 | 161.1 | -5.7 | 0 | 0 | 112.7 | C228 L229 W230 N235 L236 A325 I328 | C228-Q232 VanDerWaalsContact O-CG 3.26Å; C228-Q232 WeakPolarHBondContact O-CG 3.38Å; C228-Q232 PolarHBondContact O-N 3.29Å; L229-Q232 PolarHBondContact O-N 3.02Å; W230-Q232 VanDerWaalsContact C-N 3.34Å; W230-Q232 PolarHBondContact O-N 3.02Å; Q232-N235 PolarHBondContact O-N 3.49Å; Q232-L236 WeakPolarHBondContact O-CB 3.36Å; Q232-L236 PolarHBondContact O-N 3.45Å; Q232-A325 PolarHBondContact NE2-O 3.29Å; Q232-I328 HydrophobicContact CB-CB 4.47Å; Q232-I328 HydrophobicContact CB-CD1 3.85Å |
| 233 | I | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -71.4 | -38.6 | 177.1 | -68.7 | -62.6 | 0 | 0 | 0 | 111.7 | L171 L174 P175 L229 W230 N235 L236 R237 W241 I328 | L171-I233 HydrophobicContact CB-CG1 4.29Å; L171-I233 HydrophobicContact CD2-CB 4.4Å; L171-I233 HydrophobicContact CD2-CG1 4.23Å; L171-I233 HydrophobicContact CD2-CG2 4.12Å; L171-I233 WeakPolarHBondContact O-CD1 3.45Å; L174-I233 HydrophobicContact CB-CD1 4.01Å; L174-I233 HydrophobicContact CD1-CG2 3.93Å; P175-I233 HydrophobicContact CG-CD1 3.92Å; L229-I233 HydrophobicContact CD1-CG1 4.1Å; L229-I233 HydrophobicContact CG-CG1 4.39Å; L229-I233 WeakPolarHBondContact O-CG1 3.37Å; L229-I233 PolarHBondContact O-N 3.32Å; W230-I233 PolarHBondContact O-N 2.77Å; I233-N235 VanDerWaalsContact C-N 3.35Å; I233-L236 HydrophobicContact CD1-CD2 4.23Å; I233-L236 PolarHBondContact O-N 3.1Å; I233-R237 WeakPolarHBondContact O-CB 3.5Å; I233-R237 PolarHBondContact O-N 3.45Å; I233-W241 HydrophobicContact CG2-CH2 4.23Å; I233-W241 HydrophobicContact CG2-CZ3 4.19Å; I233-I328 HydrophobicContact CD1-CD1 3.81Å; I233-I328 HydrophobicContact CG1-CD1 4.42Å |
| 234 | C | 98.1 | Very high | 97.2 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 20% | 0.203 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.5 | -43.8 | 170.5 | -74.9 | 0 | 0 | 0 | 0 | 111.6 | W230 A231 R237 N238 | W230-C234 WeakPolarHBondContact O-CB 3.43Å; W230-C234 PolarHBondContact O-N 3.11Å; W230-C234 PolarHBondContact O-SG 3Å; A231-C234 PolarHBondContact O-N 3.01Å; C234-R237 PolarHBondContact O-N 2.88Å; C234-N238 WeakPolarHBondContact O-CB 3.33Å; C234-N238 PolarHBondContact O-N 2.91Å; C234-N238 PolarHBondContact O-ND2 3.06Å |
| 235 | N | 98 | Very high | 97 | Very high | 81 Ų | 81 | 39.3 Ų | 39.3 | 43% | 0.433 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 175.2 | -73.8 | -23.9 | 0 | 0 | 0 | 112.5 | A231 Q232 I233 N238 G239 H326 | A231-N235 WeakPolarHBondContact O-CB 3.35Å; A231-N235 VanDerWaalsContact O-CG 3.31Å; A231-N235 PolarHBondContact O-N 3.03Å; A231-N235 PolarHBondContact O-ND2 3.28Å; Q232-N235 PolarHBondContact O-N 3.49Å; I233-N235 VanDerWaalsContact C-N 3.35Å; N235-N238 PolarHBondContact O-N 3.19Å; N235-G239 PolarHBondContact O-N 3.12Å; N235-H326 WeakPolarHBondContact ND2-CB 3.25Å; N235-H326 PolarHBondContact ND2-O 3.48Å |
| 236 | L | 98 | Very high | 96.7 | Very high | 10 Ų | 10 | 38.6 Ų | 38.6 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63.2 | -44.4 | 173.5 | 175.4 | 60.8 | 0 | 0 | 0 | 112.1 | P175 Q232 I233 G239 G240 W241 E243 I328 | P175-L236 HydrophobicContact CB-CD2 4.3Å; P175-L236 HydrophobicContact CG-CD2 4.43Å; Q232-L236 WeakPolarHBondContact O-CB 3.36Å; Q232-L236 PolarHBondContact O-N 3.45Å; I233-L236 HydrophobicContact CD1-CD2 4.23Å; I233-L236 PolarHBondContact O-N 3.1Å; L236-G239 CarbonylContact O-C 3.56Å; L236-G239 WeakPolarHBondContact O-CA 3.22Å; L236-G239 PolarHBondContact O-N 3.07Å; L236-G239 VanDerWaalsContact O-N 3.17Å; L236-G240 PolarHBondContact O-N 3.15Å; L236-W241 VanDerWaalsContact CD1-C 3.47Å; L236-W241 HydrophobicContact CD2-CE3 3.82Å; L236-W241 HydrophobicContact CD2-CZ3 4.23Å; L236-W241 HydrophobicContact CG-CE3 3.84Å; L236-W241 HydrophobicContact CG-CZ3 4.43Å; L236-W241 WeakPolarHBondContact O-CA 3.36Å; L236-W241 PolarHBondContact O-N 3.29Å; L236-E243 HydrophobicContact CD1-CB 4.27Å; L236-I328 HydrophobicContact CB-CB 4.39Å; L236-I328 HydrophobicContact CB-CG2 4.25Å; L236-I328 HydrophobicContact CD1-CG2 4.04Å; L236-I328 HydrophobicContact CD2-CG1 4.27Å; L236-I328 HydrophobicContact CD2-CG2 4.22Å; L236-I328 HydrophobicContact CG-CG2 4.38Å |
| 237 | R | 97.6 | Very high | 96.3 | Very high | 80 Ų | 80 | 41.7 Ų | 41.7 | 30% | 0.302 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -59.3 | -46.5 | 175.4 | -179.3 | -176.7 | -174.8 | -157.1 | 4.3 | 111 | N190 I233 C234 G239 G240 W241 | N190-R237 PolarHBondContact OD1-NH2 3.15Å; I233-R237 WeakPolarHBondContact O-CB 3.5Å; I233-R237 PolarHBondContact O-N 3.45Å; C234-R237 PolarHBondContact O-N 2.88Å; R237-G239 VanDerWaalsContact C-N 3.29Å; R237-G239 PolarHBondContact O-N 3.41Å; R237-G240 PolarHBondContact O-N 3.16Å; R237-W241 HydrophobicContact CB-CH2 3.98Å; R237-W241 HydrophobicContact CB-CZ2 3.73Å; R237-W241 HydrophobicContact CB-CZ3 4.49Å; R237-W241 HydrophobicContact CG-CH2 4.32Å; R237-W241 HydrophobicContact CG-CZ2 3.65Å |
| 238 | N | 96.7 | Very high | 95.9 | Very high | 134 Ų | 134 | 41.4 Ų | 41.4 | 72% | 0.717 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -64.7 | -32.9 | 175.6 | -67.3 | -19.5 | 0 | 0 | 0 | 112.1 | C234 N235 G240 | C234-N238 WeakPolarHBondContact O-CB 3.33Å; C234-N238 PolarHBondContact O-N 2.91Å; C234-N238 PolarHBondContact O-ND2 3.06Å; N235-N238 PolarHBondContact O-N 3.19Å; N238-G240 PolarHBondContact O-N 2.79Å |
| 239 | G | 95.6 | Very high | 95.6 | Very high | 48 Ų | 48 | 41.4 Ų | 41.4 | 50% | 0.495 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77 | 13.3 | 170 | 0 | 0 | 0 | 0 | 0 | 115.2 | N235 L236 R237 W241 V242 | N235-G239 PolarHBondContact O-N 3.12Å; L236-G239 CarbonylContact O-C 3.56Å; L236-G239 WeakPolarHBondContact O-CA 3.22Å; L236-G239 PolarHBondContact O-N 3.07Å; L236-G239 VanDerWaalsContact O-N 3.17Å; R237-G239 VanDerWaalsContact C-N 3.29Å; R237-G239 PolarHBondContact O-N 3.41Å; G239-W241 VanDerWaalsContact C-N 3.33Å; G239-W241 PolarHBondContact O-N 3.5Å; G239-V242 PolarHBondContact O-N 2.91Å |
| 240 | G | 96.6 | Very high | 95.3 | Very high | 41 Ų | 41 | 41.8 Ų | 41.8 | 42% | 0.423 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 23.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | L236 R237 N238 V242 | L236-G240 PolarHBondContact O-N 3.15Å; R237-G240 PolarHBondContact O-N 3.16Å; N238-G240 PolarHBondContact O-N 2.79Å; G240-V242 VanDerWaalsContact C-N 3.31Å; G240-V242 PolarHBondContact O-N 3.18Å |
| 241 | W | 97 | Very high | 95.1 | Very high | 23 Ų | 23 | 45.1 Ų | 45.1 | 9% | 0.087 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 26.3 | -175.1 | -53.3 | 97.5 | 0 | 0 | 0 | 115.1 | L174 Y179 L189 L193 I233 L236 R237 G239 | L174-W241 HydrophobicContact CB-CZ3 4.06Å; L174-W241 HydrophobicContact CD1-CH2 4.26Å; L174-W241 HydrophobicContact CD1-CZ3 4.32Å; L174-W241 HydrophobicContact CD2-CH2 4.49Å; L174-W241 HydrophobicContact CD2-CZ3 4.44Å; Y179-W241 HydrophobicContact CD2-CB 4.32Å; L189-W241 HydrophobicContact CD2-CZ2 3.88Å; L193-W241 HydrophobicContact CD1-CH2 3.92Å; L193-W241 HydrophobicContact CD1-CZ2 3.88Å; I233-W241 HydrophobicContact CG2-CH2 4.23Å; I233-W241 HydrophobicContact CG2-CZ3 4.19Å; L236-W241 VanDerWaalsContact CD1-C 3.47Å; L236-W241 HydrophobicContact CD2-CE3 3.82Å; L236-W241 HydrophobicContact CD2-CZ3 4.23Å; L236-W241 HydrophobicContact CG-CE3 3.84Å; L236-W241 HydrophobicContact CG-CZ3 4.43Å; L236-W241 WeakPolarHBondContact O-CA 3.36Å; L236-W241 PolarHBondContact O-N 3.29Å; R237-W241 HydrophobicContact CB-CH2 3.98Å; R237-W241 HydrophobicContact CB-CZ2 3.73Å; R237-W241 HydrophobicContact CB-CZ3 4.49Å; R237-W241 HydrophobicContact CG-CH2 4.32Å; R237-W241 HydrophobicContact CG-CZ2 3.65Å; G239-W241 VanDerWaalsContact C-N 3.33Å; G239-W241 PolarHBondContact O-N 3.5Å |
| 242 | V | 94.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 46.4 Ų | 46.4 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | trans | -103.4 | 97.9 | -179.7 | -174.1 | 0 | 0 | 0 | 0 | 112 | G239 G240 | G239-V242 PolarHBondContact O-N 2.91Å; G240-V242 VanDerWaalsContact C-N 3.31Å; G240-V242 PolarHBondContact O-N 3.18Å | ||
| 243 | E | 93.9 | Very high | 94.7 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.009 | 26% | 0.26 | C | S | . | . | trans | -88.5 | 153.9 | 167.4 | 63.4 | 67.5 | -128.9 | 0 | 0 | 112.9 | L236 V245 T246 R248 I328 E329 L332 R361 | L236-E243 HydrophobicContact CD1-CB 4.27Å; E243-V245 PolarHBondContact OE2-N 3.38Å; E243-T246 WeakPolarHBondContact OE2-CB 3.37Å; E243-T246 PolarHBondContact OE2-N 2.89Å; E243-T246 PolarHBondContact OE2-OG1 2.98Å; E243-R248 IonicContact OE1-CZ 3.85Å; E243-R248 IonicContact OE1-NE 3.13Å; E243-R248 PolarHBondContact OE1-NE 3.16Å; E243-R248 IonicContact OE1-NH2 2.88Å; E243-R248 PolarHBondContact OE1-NH2 2.96Å; E243-I328 HydrophobicContact CB-CG2 3.75Å; E243-E329 VanDerWaalsContact CA-OE1 3.31Å; E243-E329 WeakPolarHBondContact CA-OE1 3.47Å; E243-L332 HydrophobicContact CB-CD1 4.24Å; E243-L332 HydrophobicContact CG-CD1 4.05Å; E243-R361 PolarHBondContact O-NH1 3.5Å; E243-R361 PolarHBondContact O-NH2 3.23Å; E243-R361 IonicContact OE1-CZ 2.67Å; E243-R361 IonicContact OE1-NH2 2.72Å; E243-R361 PolarHBondContact OE1-NH2 2.98Å; E243-R361 IonicContact OE2-NH2 3.5Å; E243-R361 PolarHBondContact OE2-NH2 2.92Å | ||
| 244 | K | 92.6 | Very high | 94.5 | Very high | 135 Ų | 135 | 51.1 Ų | 51.1 | 59% | 0.587 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -109 | -20 | -169.1 | -62.7 | 178.8 | -177 | 176.4 | 0 | 115.9 | E329 R361 A362 | K244-E329 HydrophobicContact CB-CG 4.37Å; K244-E329 PolarHBondContact N-OE1 3.17Å; K244-R361 WeakPolarHBondContact O-CB 3.26Å; K244-A362 HydrophobicContact CB-CB 4.16Å; K244-A362 PolarHBondContact O-N 3.03Å |
| 245 | V | 93.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 51.7 Ų | 51.7 | 3% | 0.03 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -94.7 | -29.9 | -168.5 | -67.3 | 0 | 0 | 0 | 0 | 114.4 | E243 W247 E329 L332 I333 T360 R361 A362 V364 | E243-V245 PolarHBondContact OE2-N 3.38Å; V245-W247 PolarHBondContact O-N 3.48Å; V245-E329 HydrophobicContact CB-CG 4.29Å; V245-E329 HydrophobicContact CG1-CB 3.83Å; V245-E329 HydrophobicContact CG1-CG 3.57Å; V245-E329 HydrophobicContact CG2-CB 4.09Å; V245-E329 HydrophobicContact CG2-CG 3.96Å; V245-L332 HydrophobicContact CG2-CB 4.02Å; V245-L332 HydrophobicContact CG2-CD1 4.09Å; V245-I333 HydrophobicContact CB-CD1 4.15Å; V245-I333 HydrophobicContact CB-CG1 4.39Å; V245-I333 HydrophobicContact CG1-CD1 3.85Å; V245-I333 HydrophobicContact CG2-CD1 4.34Å; V245-I333 HydrophobicContact CG2-CG1 4.23Å; V245-T360 HydrophobicContact CB-CG2 4.43Å; V245-T360 CarbonylContact O-C 3.41Å; V245-T360 WeakPolarHBondContact O-CA 3.19Å; V245-R361 PolarHBondContact O-N 3.47Å; V245-A362 HydrophobicContact CG1-CB 4.33Å; V245-V364 HydrophobicContact CG1-CG1 3.99Å |
| 246 | T | 92.2 | Very high | 94.2 | Very high | 10 Ų | 10 | 48 Ų | 48 | 6% | 0.061 | 27% | 0.267 | C | S | . | . | trans | -62.3 | 132.2 | -171.9 | -54 | 0 | 0 | 0 | 0 | 111.1 | L80 Y176 E243 R248 R361 | L80-T246 HydrophobicContact CD1-CG2 3.64Å; Y176-T246 HydrophobicContact CD1-CG2 4.31Å; Y176-T246 HydrophobicContact CE1-CG2 3.85Å; E243-T246 WeakPolarHBondContact OE2-CB 3.37Å; E243-T246 PolarHBondContact OE2-N 2.89Å; E243-T246 PolarHBondContact OE2-OG1 2.98Å; T246-R248 HydrophobicContact CG2-CG 4.3Å; T246-R248 PolarHBondContact O-N 3.33Å; T246-R248 VanDerWaalsContact O-N 3.13Å; T246-R361 PolarHBondContact O-NE 2.97Å; T246-R361 PolarHBondContact O-NH2 2.94Å | ||
| 247 | W | 89.1 | Confident | 94 | Very high | 65 Ų | 65 | 55 Ų | 55 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | trans | -81.8 | 87 | 174.3 | -179.8 | 42.2 | 0 | 0 | 0 | 110.3 | L39 I42 L80 I81 V245 L249 K359 | L39-W247 HydrophobicContact CD2-CH2 3.88Å; L39-W247 HydrophobicContact CD2-CZ3 4.09Å; I42-W247 HydrophobicContact CB-CH2 4.45Å; I42-W247 HydrophobicContact CG1-CH2 4.09Å; I42-W247 HydrophobicContact CG2-CH2 3.68Å; I42-W247 HydrophobicContact CG2-CZ2 3.64Å; L80-W247 WeakPolarHBondContact CD1-O 3.32Å; I81-W247 HydrophobicContact CD1-CZ3 4.23Å; I81-W247 HydrophobicContact CG1-CZ3 4.39Å; V245-W247 PolarHBondContact O-N 3.48Å; W247-L249 VanDerWaalsContact C-N 3.25Å; W247-L249 HydrophobicContact CH2-CD1 4.34Å; W247-L249 HydrophobicContact CH2-CD2 3.71Å; W247-L249 HydrophobicContact CZ2-CD1 3.66Å; W247-L249 HydrophobicContact CZ2-CD2 3.88Å; W247-L249 HydrophobicContact CZ2-CG 4.24Å; W247-L249 HydrophobicContact CZ3-CD2 4.21Å; W247-L249 PolarHBondContact O-N 3.47Å; W247-K359 HydrophobicContact CD2-CB 4.39Å; W247-K359 HydrophobicContact CE3-CB 4.49Å; W247-K359 HydrophobicContact CZ2-CD 4.43Å | ||
| 248 | R | 89.7 | Confident | 93.7 | Very high | 52 Ų | 52 | 57.5 Ų | 57.5 | 20% | 0.196 | 31% | 0.313 | C | S | . | . | trans | -75.6 | 67 | -175.2 | -61.3 | -178.8 | 178.4 | -160.1 | -2.5 | 112.2 | E243 T246 Y250 D251 | E243-R248 IonicContact OE1-CZ 3.85Å; E243-R248 IonicContact OE1-NE 3.13Å; E243-R248 PolarHBondContact OE1-NE 3.16Å; E243-R248 IonicContact OE1-NH2 2.88Å; E243-R248 PolarHBondContact OE1-NH2 2.96Å; T246-R248 HydrophobicContact CG2-CG 4.3Å; T246-R248 PolarHBondContact O-N 3.33Å; T246-R248 VanDerWaalsContact O-N 3.13Å; R248-Y250 HydrophobicContact CB-CD2 4.43Å; R248-Y250 HydrophobicContact CB-CE1 4.39Å; R248-Y250 HydrophobicContact CB-CE2 3.77Å; R248-Y250 HydrophobicContact CG-CE2 4.24Å; R248-Y250 PolarHBondContact O-N 2.81Å; R248-D251 HydrophobicContact CB-CB 4.49Å; R248-D251 WeakPolarHBondContact CB-OD2 3.35Å; R248-D251 VanDerWaalsContact CD-OD2 3.3Å; R248-D251 WeakPolarHBondContact CD-OD2 3.49Å; R248-D251 WeakPolarHBondContact O-CB 3.4Å; R248-D251 PolarHBondContact O-N 3.43Å | ||
| 249 | L | 90.8 | Very high | 93.6 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -58.5 | -21.6 | -172.6 | -173.4 | 53.1 | 0 | 0 | 0 | 115 | I42 E43 I46 I81 W247 D251 F253 | I42-L249 HydrophobicContact CG1-CD2 4.19Å; I42-L249 HydrophobicContact CG2-CD1 4.43Å; E43-L249 HydrophobicContact CG-CD1 3.79Å; I46-L249 HydrophobicContact CD1-CD2 3.35Å; I46-L249 HydrophobicContact CD1-CG 4.12Å; I81-L249 HydrophobicContact CG1-CD2 3.75Å; W247-L249 VanDerWaalsContact C-N 3.25Å; W247-L249 HydrophobicContact CH2-CD1 4.34Å; W247-L249 HydrophobicContact CH2-CD2 3.71Å; W247-L249 HydrophobicContact CZ2-CD1 3.66Å; W247-L249 HydrophobicContact CZ2-CD2 3.88Å; W247-L249 HydrophobicContact CZ2-CG 4.24Å; W247-L249 HydrophobicContact CZ3-CD2 4.21Å; W247-L249 PolarHBondContact O-N 3.47Å; L249-D251 VanDerWaalsContact C-N 3.3Å; L249-D251 PolarHBondContact O-N 3.37Å; L249-F253 WeakPolarHBondContact O-CD2 3.46Å |
| 250 | Y | 93.8 | Very high | 93.4 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -69.2 | -21.9 | 172.3 | 46.9 | -103.4 | 0 | 0 | 0 | 114 | T84 N132 R248 S252 F253 | T84-Y250 PolarHBondContact OG1-N 2.79Å; N132-Y250 HydrophobicContact CB-CD1 4.26Å; N132-Y250 HydrophobicContact CB-CD2 3.93Å; N132-Y250 HydrophobicContact CB-CE1 3.89Å; N132-Y250 HydrophobicContact CB-CE2 3.53Å; N132-Y250 HydrophobicContact CB-CG 4.28Å; N132-Y250 VanDerWaalsContact CB-CZ 3.48Å; R248-Y250 HydrophobicContact CB-CD2 4.43Å; R248-Y250 HydrophobicContact CB-CE1 4.39Å; R248-Y250 HydrophobicContact CB-CE2 3.77Å; R248-Y250 HydrophobicContact CG-CE2 4.24Å; R248-Y250 PolarHBondContact O-N 2.81Å; Y250-S252 PolarHBondContact O-N 2.95Å; Y250-F253 PolarHBondContact O-N 3.35Å |
| 251 | D | 92.9 | Very high | 93.3 | Very high | 103 Ų | 103 | 59.2 Ų | 59.2 | 55% | 0.551 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -66.1 | -23.8 | 178.7 | -69.9 | -22.5 | 0 | 0 | 0 | 111.6 | R248 L249 F253 | R248-D251 HydrophobicContact CB-CB 4.49Å; R248-D251 WeakPolarHBondContact CB-OD2 3.35Å; R248-D251 VanDerWaalsContact CD-OD2 3.3Å; R248-D251 WeakPolarHBondContact CD-OD2 3.49Å; R248-D251 WeakPolarHBondContact O-CB 3.4Å; R248-D251 PolarHBondContact O-N 3.43Å; L249-D251 VanDerWaalsContact C-N 3.3Å; L249-D251 PolarHBondContact O-N 3.37Å; D251-F253 PolarHBondContact O-N 3Å |
| 252 | S | 93 | Very high | 93.3 | Very high | 55 Ų | 55 | 60 Ų | 60 | 39% | 0.385 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -72.5 | -7.5 | 172.6 | -54.2 | 0 | 0 | 0 | 0 | 114.1 | E43 Y250 P254 | E43-S252 WeakPolarHBondContact OE1-CB 3.28Å; E43-S252 PolarHBondContact OE1-OG 3.49Å; Y250-S252 PolarHBondContact O-N 2.95Å; S252-P254 WeakPolarHBondContact O-CD 3.49Å |
| 253 | F | 95.7 | Very high | 93.5 | Very high | 30 Ų | 30 | 57.2 Ų | 57.2 | 13% | 0.132 | 29% | 0.286 | C | S | . | . | trans | -121.3 | 72.6 | -177.5 | -60.4 | -86.7 | 0 | 0 | 0 | 111.4 | E43 I46 T84 L88 L249 Y250 D251 S255 L256 | E43-F253 HydrophobicContact CB-CZ 4.2Å; E43-F253 WeakPolarHBondContact O-CZ 3.23Å; I46-F253 HydrophobicContact CB-CZ 4.48Å; I46-F253 HydrophobicContact CG2-CZ 4.22Å; T84-F253 HydrophobicContact CG2-CD2 3.57Å; T84-F253 HydrophobicContact CG2-CE2 3.61Å; L88-F253 HydrophobicContact CD1-CD1 3.96Å; L88-F253 HydrophobicContact CD1-CE1 3.76Å; L88-F253 HydrophobicContact CD1-CG 4.47Å; L88-F253 HydrophobicContact CD1-CZ 4.13Å; L88-F253 HydrophobicContact CD2-CB 4.21Å; L88-F253 HydrophobicContact CD2-CD1 3.8Å; L88-F253 HydrophobicContact CD2-CE1 4.43Å; L88-F253 HydrophobicContact CD2-CG 4.13Å; L88-F253 HydrophobicContact CG-CD1 4.42Å; L249-F253 WeakPolarHBondContact O-CD2 3.46Å; Y250-F253 PolarHBondContact O-N 3.35Å; D251-F253 PolarHBondContact O-N 3Å; F253-S255 PolarHBondContact O-N 3.43Å; F253-L256 HydrophobicContact CB-CD1 3.78Å; F253-L256 HydrophobicContact CB-CG 3.89Å; F253-L256 VanDerWaalsContact O-CB 3.31Å; F253-L256 WeakPolarHBondContact O-CB 3.47Å; F253-L256 WeakPolarHBondContact O-CG 3.4Å; F253-L256 PolarHBondContact O-N 2.94Å | ||
| 254 | P | 94.3 | Very high | 93.6 | Very high | 76 Ų | 76 | 64.4 Ų | 64.4 | 49% | 0.494 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -57.5 | -26.8 | -174.3 | 21.5 | -33.6 | 0 | 0 | 0 | 114.1 | S252 L256 K257 E258 | S252-P254 WeakPolarHBondContact O-CD 3.49Å; P254-L256 PolarHBondContact O-N 2.99Å; P254-K257 WeakPolarHBondContact O-CB 3.25Å; P254-K257 PolarHBondContact O-N 2.94Å; P254-E258 WeakPolarHBondContact O-CG 3.43Å; P254-E258 PolarHBondContact O-N 3.49Å |
| 255 | S | 95 | Very high | 93.7 | Very high | 41 Ų | 41 | 58.4 Ų | 58.4 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -59 | -24.6 | 174.1 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | F253 K257 H259 | F253-S255 PolarHBondContact O-N 3.43Å; S255-K257 VanDerWaalsContact C-N 3.33Å; S255-H259 WeakPolarHBondContact O-CB 3.42Å; S255-H259 PolarHBondContact O-N 2.8Å |
| 256 | L | 95.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 61.6 Ų | 61.6 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.3 | -46.1 | 169.7 | -65.9 | 176.5 | 0 | 0 | 0 | 110.6 | T84 L88 L91 H134 F253 P254 G260 | T84-L256 HydrophobicContact CG2-CD1 4.44Å; L88-L256 HydrophobicContact CD2-CD2 3.95Å; L88-L256 HydrophobicContact CD2-CG 4.32Å; L88-L256 HydrophobicContact CG-CD2 4.32Å; L91-L256 HydrophobicContact CD1-CD2 4.02Å; L91-L256 HydrophobicContact CG-CD2 4.25Å; H134-L256 VanDerWaalsContact CB-O 3.23Å; H134-L256 WeakPolarHBondContact CB-O 3.25Å; F253-L256 HydrophobicContact CB-CD1 3.78Å; F253-L256 HydrophobicContact CB-CG 3.89Å; F253-L256 VanDerWaalsContact O-CB 3.31Å; F253-L256 WeakPolarHBondContact O-CB 3.47Å; F253-L256 WeakPolarHBondContact O-CG 3.4Å; F253-L256 PolarHBondContact O-N 2.94Å; P254-L256 PolarHBondContact O-N 2.99Å; L256-G260 WeakPolarHBondContact O-CA 3.38Å; L256-G260 PolarHBondContact O-N 3.37Å |
| 257 | K | 92.6 | Very high | 93.7 | Very high | 159 Ų | 159 | 66 Ų | 66 | 69% | 0.691 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -76.8 | -36.5 | -178.5 | 178.4 | 175.3 | 176.9 | -177.3 | 0 | 112.8 | P254 S255 | P254-K257 WeakPolarHBondContact O-CB 3.25Å; P254-K257 PolarHBondContact O-N 2.94Å; S255-K257 VanDerWaalsContact C-N 3.33Å |
| 258 | E | 92.6 | Very high | 93.8 | Very high | 132 Ų | 132 | 63.4 Ų | 63.4 | 62% | 0.617 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -80.2 | -29.4 | -176.2 | -67 | 169.4 | 174.4 | 0 | 0 | 113.5 | P254 | P254-E258 WeakPolarHBondContact O-CG 3.43Å; P254-E258 PolarHBondContact O-N 3.49Å |
| 259 | H | 94.2 | Very high | 93.9 | Very high | 131 Ų | 131 | 66 Ų | 66 | 61% | 0.606 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -130.3 | -3.5 | -172.5 | -57.6 | -18.9 | 0 | 0 | 0 | 114.1 | L91 S255 Q261 | L91-H259 HydrophobicContact CD2-CB 3.95Å; S255-H259 WeakPolarHBondContact O-CB 3.42Å; S255-H259 PolarHBondContact O-N 2.8Å; H259-Q261 PolarHBondContact O-N 2.96Å |
| 260 | G | 91.5 | Very high | 94 | Very high | 16 Ų | 16 | 66.9 Ų | 66.9 | 17% | 0.165 | 36% | 0.361 | C | S | . | . | trans | -63.8 | 122.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L256 P262 | L256-G260 WeakPolarHBondContact O-CA 3.38Å; L256-G260 PolarHBondContact O-N 3.37Å; G260-P262 VanDerWaalsContact O-CD 3.28Å; G260-P262 WeakPolarHBondContact O-CD 3.42Å | ||
| 261 | Q | 94.9 | Very high | 93.9 | Very high | 111 Ų | 111 | 68.6 Ų | 68.6 | 52% | 0.519 | 37% | 0.374 | S | S | . | . | trans | -107.4 | 96.2 | 176.1 | -67.1 | -177.2 | 6.1 | 0 | 0 | 109.3 | N90 R94 H259 | N90-Q261 PolarHBondContact ND2-O 3.1Å; N90-Q261 VanDerWaalsContact ND2-O 3.1Å; R94-Q261 VanDerWaalsContact CD-OE1 3.23Å; R94-Q261 VanDerWaalsContact CZ-CB 3.48Å; R94-Q261 VanDerWaalsContact NE-CB 3.34Å; R94-Q261 PolarHBondContact NE-O 3.35Å; R94-Q261 VanDerWaalsContact NE-O 3.15Å; R94-Q261 PolarHBondContact NH2-O 3.37Å; H259-Q261 PolarHBondContact O-N 2.96Å | ||
| 262 | P | 96.7 | Very high | 93.8 | Very high | 40 Ų | 40 | 70.8 Ų | 70.8 | 26% | 0.26 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -73.7 | 144 | -171.9 | 27.6 | -35.6 | 0 | 0 | 0 | 113.1 | H134 T135 Q137 G260 | H134-P262 WeakPolarHBondContact O-CA 3.44Å; H134-P262 WeakPolarHBondContact O-CB 3.32Å; T135-P262 WeakPolarHBondContact O-CA 3.29Å; Q137-P262 HydrophobicContact CG-CB 3.82Å; Q137-P262 HydrophobicContact CG-CG 3.85Å; Q137-P262 PolarHBondContact NE2-O 2.9Å; G260-P262 VanDerWaalsContact O-CD 3.28Å; G260-P262 WeakPolarHBondContact O-CD 3.42Å |
| 263 | H | 97.8 | Very high | 93.6 | Very high | 25 Ų | 25 | 73 Ų | 73 | 12% | 0.116 | 39% | 0.386 | C | S | . | . | B | Isolated β-bridge | trans | -81.4 | 144.7 | 175.8 | -60.4 | -71.7 | 0 | 0 | 0 | 111.5 | N90 R94 T135 Q137 | N90-H263 PolarHBondContact OD1-NE2 2.91Å; R94-H263 PolarHBondContact NH2-CE1 3.49Å; R94-H263 PolarHBondContact NH2-ND1 3.34Å; R94-H263 PolarHBondContact O-CE1 2.99Å; R94-H263 PolarHBondContact O-NE2 2.86Å; T135-H263 PolarHBondContact O-CD2 3.48Å; T135-H263 PolarHBondContact O-N 3.37Å; Q137-H263 WeakPolarHBondContact CG-O 3.19Å; Q137-H263 PolarHBondContact N-O 3.37Å |
| 264 | K | 96.5 | Very high | 93.3 | Very high | 153 Ų | 153 | 75.4 Ų | 75.4 | 67% | 0.665 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -83.7 | 130.4 | 171.9 | -176.6 | 176.9 | 177.1 | 178.1 | 0 | 108.8 | ||
| 265 | L | 95.3 | Very high | 92.9 | Very high | 9 Ų | 9 | 75.8 Ų | 75.8 | 5% | 0.047 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -76.7 | 141.3 | 168.2 | -54.3 | -177.3 | 0 | 0 | 0 | 110.1 | I101 Q105 L127 V136 S140 I141 | I101-L265 HydrophobicContact CG2-CD2 3.37Å; Q105-L265 HydrophobicContact CG-CD2 4.13Å; L127-L265 HydrophobicContact CD1-CD1 4.27Å; L127-L265 HydrophobicContact CD2-CD2 4.14Å; V136-L265 HydrophobicContact CG1-CD1 3.9Å; V136-L265 HydrophobicContact CG1-CD2 3.96Å; V136-L265 HydrophobicContact CG1-CG 3.77Å; S140-L265 PolarHBondContact OG-N 3.1Å; I141-L265 HydrophobicContact CD1-CD1 3.9Å |
| 266 | S | 93.8 | Very high | 92.4 | Very high | 72 Ų | 72 | 81.5 Ų | 81.5 | 50% | 0.503 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 141.7 | 161.1 | -61.6 | 0 | 0 | 0 | 0 | 109.4 | Q105 | Q105-S266 PolarHBondContact NE2-O 3.02Š|
| 267 | P | 91.3 | Very high | 92 | Very high | 102 Ų | 102 | 82.9 Ų | 82.9 | 66% | 0.662 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 146.7 | 173.5 | -28 | 36.1 | 0 | 0 | 0 | 113.3 | ||
| 268 | L | 92 | Very high | 91.8 | Very high | 10 Ų | 10 | 79.3 Ų | 79.3 | 5% | 0.052 | 43% | 0.428 | C | S | . | . | trans | -128.1 | 96.5 | 178.1 | 172.6 | 58.8 | 0 | 0 | 0 | 108.9 | L108 K109 L144 N147 F148 | L108-L268 HydrophobicContact CD2-CD2 3.48Å; L108-L268 VanDerWaalsContact CD2-CD2 3.48Å; L108-L268 HydrophobicContact CG-CD2 3.81Å; K109-L268 HydrophobicContact CD-CD1 4.13Å; K109-L268 VanDerWaalsContact CE-CD1 3.44Å; K109-L268 HydrophobicContact CG-CD1 3.47Å; K109-L268 VanDerWaalsContact CG-CD1 3.47Å; L144-L268 HydrophobicContact CD1-CB 4.08Å; L144-L268 HydrophobicContact CD1-CD2 3.85Å; L144-L268 HydrophobicContact CD1-CG 4.35Å; N147-L268 WeakPolarHBondContact CB-O 3.41Å; N147-L268 PolarHBondContact OD1-O 3.37Å; F148-L268 HydrophobicContact CE1-CD2 3.9Å; F148-L268 HydrophobicContact CE1-CG 4.21Å; F148-L268 HydrophobicContact CZ-CD2 4.08Å | ||
| 269 | T | 91.2 | Very high | 91.8 | Very high | 107 Ų | 107 | 73.8 Ų | 73.8 | 66% | 0.656 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -73.7 | 128.4 | 165.3 | -43.9 | 0 | 0 | 0 | 0 | 108.8 | ||
| 270 | P | 92.3 | Very high | 91.7 | Very high | 19 Ų | 19 | 69.6 Ų | 69.6 | 12% | 0.123 | 39% | 0.386 | C | S | . | . | P | Polyproline II helix | trans | -53.9 | 144.2 | 168.1 | -29.7 | 38.7 | 0 | 0 | 0 | 111.9 | N147 F148 V151 Y166 | N147-P270 WeakPolarHBondContact O-CD 3.49Å; N147-P270 VanDerWaalsContact O-CG 3.25Å; N147-P270 WeakPolarHBondContact O-CG 3.3Å; F148-P270 HydrophobicContact CD1-CG 4.12Å; F148-P270 HydrophobicContact CE1-CG 4.47Å; V151-P270 HydrophobicContact CG2-CB 3.9Å; V151-P270 HydrophobicContact CG2-CG 3.58Å; Y166-P270 HydrophobicContact CE1-CB 4.11Å; Y166-P270 HydrophobicContact CE1-CG 4.04Å |
| 271 | P | 92.2 | Very high | 91.7 | Very high | 47 Ų | 47 | 71 Ų | 71 | 31% | 0.305 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 153.8 | 168.3 | -20.2 | 33.3 | 0 | 0 | 0 | 111.1 | I112 R113 R162 | I112-P271 HydrophobicContact CG2-CG 3.9Å; R113-P271 HydrophobicContact CG-CG 4.18Å; R162-P271 VanDerWaalsContact CZ-O 3.3Å; R162-P271 PolarHBondContact NH1-O 3.49Å; R162-P271 PolarHBondContact NH2-O 3.13Å |
| 272 | D | 90.5 | Very high | 91.8 | Very high | 148 Ų | 148 | 66.1 Ų | 66.1 | 79% | 0.791 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -55 | 167.5 | 174.6 | -59.1 | -61.7 | 0 | 0 | 0 | 112.8 | R162 | R162-D272 PolarHBondContact NH1-O 2.92Š|
| 273 | Y | 89.6 | Confident | 91.7 | Very high | 103 Ų | 103 | 65.5 Ų | 65.5 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -73.8 | 129.3 | 174.9 | 178.9 | -121.2 | 0 | 0 | 0 | 111.2 | S158 Y279 | S158-Y273 WeakPolarHBondContact OG-CB 3.41Å; S158-Y273 WeakPolarHBondContact OG-CD2 3.4Å; S158-Y273 VanDerWaalsContact OG-CG 3.25Å; Y273-Y279 HydrophobicContact CE2-CE2 4.43Å |
| 274 | D | 88.6 | Confident | 91.7 | Very high | 80 Ų | 80 | 65.1 Ų | 65.1 | 43% | 0.428 | 36% | 0.364 | S | S | . | . | trans | -129.5 | 127 | 175.6 | -178.9 | -7.1 | 0 | 0 | 0 | 108 | E276 V277 | D274-E276 VanDerWaalsContact C-N 3.33Å; D274-E276 PolarHBondContact OD1-N 3.49Å; D274-V277 HydrophobicContact CB-CG2 3.86Å; D274-V277 PolarHBondContact O-N 3.3Å | ||
| 275 | A | 85.6 | Confident | 91.8 | Very high | 83 Ų | 83 | 59.9 Ų | 59.9 | 69% | 0.686 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -11.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V277 | A275-V277 VanDerWaalsContact C-N 3.26Š|
| 276 | E | 85.1 | Confident | 92 | Very high | 161 Ų | 161 | 60.2 Ų | 60.2 | 75% | 0.752 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -14.6 | 168.5 | -65.7 | -166.6 | 179 | 0 | 0 | 112.3 | D274 I278 | D274-E276 VanDerWaalsContact C-N 3.33Å; D274-E276 PolarHBondContact OD1-N 3.49Å; E276-I278 PolarHBondContact O-N 2.87Å |
| 277 | V | 87.8 | Confident | 92.2 | Very high | 33 Ų | 33 | 57.4 Ų | 57.4 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | trans | -87 | 110.7 | -177.2 | 178.3 | 0 | 0 | 0 | 0 | 111 | A115 F117 D274 A275 Y279 | A115-V277 HydrophobicContact CB-CG1 4.15Å; F117-V277 HydrophobicContact CE2-CG1 3.9Å; F117-V277 HydrophobicContact CZ-CG1 3.63Å; D274-V277 HydrophobicContact CB-CG2 3.86Å; D274-V277 PolarHBondContact O-N 3.3Å; A275-V277 VanDerWaalsContact C-N 3.26Å; V277-Y279 HydrophobicContact CB-CE2 3.95Å; V277-Y279 HydrophobicContact CG1-CD2 4.25Å; V277-Y279 HydrophobicContact CG1-CE1 4.19Å; V277-Y279 HydrophobicContact CG1-CE2 3.64Å; V277-Y279 WeakPolarHBondContact O-CD2 3.33Å; V277-Y279 WeakPolarHBondContact O-CE2 3.35Å; V277-Y279 PolarHBondContact O-N 3.48Å | ||
| 278 | I | 87.6 | Confident | 92.4 | Very high | 83 Ų | 83 | 52.5 Ų | 52.5 | 43% | 0.426 | 29% | 0.29 | S | S | . | . | trans | -87.5 | 107.1 | 176.9 | -55.3 | 176.2 | 0 | 0 | 0 | 109.5 | F117 E276 I984 | F117-I278 WeakPolarHBondContact CE2-O 3.43Å; E276-I278 PolarHBondContact O-N 2.87Å; I278-I984 HydrophobicContact CD1-CD1 4.33Å | ||
| 279 | Y | 92.3 | Very high | 92.7 | Very high | 16 Ų | 16 | 52.1 Ų | 52.1 | 6% | 0.063 | 29% | 0.288 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 164.3 | 174.4 | -62.2 | -93.4 | 0 | 0 | 0 | 111.1 | F117 R162 Y273 V277 | F117-Y279 HydrophobicContact CD1-CD1 4.45Å; F117-Y279 AromaticContact CE1-CD1 3.65Å; F117-Y279 HydrophobicContact CE1-CD1 3.65Å; F117-Y279 AromaticContact CE1-CE1 3.64Å; F117-Y279 HydrophobicContact CE1-CE1 3.64Å; F117-Y279 AromaticContact CE2-CD1 3.9Å; F117-Y279 HydrophobicContact CE2-CD1 3.9Å; F117-Y279 HydrophobicContact CE2-CE1 4.29Å; F117-Y279 HydrophobicContact CE2-CG 4.27Å; F117-Y279 AromaticContact CZ-CD1 3.32Å; F117-Y279 HydrophobicContact CZ-CD1 3.32Å; F117-Y279 AromaticContact CZ-CE1 3.34Å; F117-Y279 HydrophobicContact CZ-CE1 3.34Å; F117-Y279 HydrophobicContact CZ-CG 4.08Å; R162-Y279 HydrophobicContact CB-CD1 3.83Å; R162-Y279 HydrophobicContact CB-CD2 3.87Å; R162-Y279 HydrophobicContact CB-CE1 3.74Å; R162-Y279 HydrophobicContact CB-CE2 3.82Å; R162-Y279 HydrophobicContact CB-CG 3.91Å; R162-Y279 WeakPolarHBondContact CD-OH 3.01Å; R162-Y279 HydrophobicContact CG-CD1 4.09Å; R162-Y279 HydrophobicContact CG-CE1 3.58Å; R162-Y279 HydrophobicContact CG-CE2 4.26Å; R162-Y279 PolarHBondContact NH1-OH 3.47Å; R162-Y279 VanDerWaalsContact NH1-OH 3.15Å; Y273-Y279 HydrophobicContact CE2-CE2 4.43Å; V277-Y279 HydrophobicContact CB-CE2 3.95Å; V277-Y279 HydrophobicContact CG1-CD2 4.25Å; V277-Y279 HydrophobicContact CG1-CE1 4.19Å; V277-Y279 HydrophobicContact CG1-CE2 3.64Å; V277-Y279 WeakPolarHBondContact O-CD2 3.33Å; V277-Y279 WeakPolarHBondContact O-CE2 3.35Å; V277-Y279 PolarHBondContact O-N 3.48Å |
| 280 | P | 92.7 | Very high | 92.8 | Very high | 44 Ų | 44 | 49.3 Ų | 49.3 | 29% | 0.286 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -59.6 | 141.1 | 175 | -24.5 | 37.8 | 0 | 0 | 0 | 111.5 | F117 W165 | F117-P280 HydrophobicContact CB-CG 3.64Å; F117-P280 HydrophobicContact CD2-CG 4.23Å; F117-P280 HydrophobicContact CG-CG 4.08Å; W165-P280 HydrophobicContact CG-CG 4.36Å |
| 281 | L | 92.7 | Very high | 92.8 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 24% | 0.241 | 29% | 0.293 | C | S | . | . | P | Polyproline II helix | trans | -67.7 | 148.3 | 177.8 | -54.9 | -178.3 | 0 | 0 | 0 | 110.4 | P382 L1011 Y1012 | L281-P382 HydrophobicContact CD1-CG 4.19Å; L281-L1011 WeakPolarHBondContact CD2-O 3.34Å; L281-Y1012 HydrophobicContact CD2-CD1 3.87Å; L281-Y1012 HydrophobicContact CD2-CE1 3.47Å; L281-Y1012 VanDerWaalsContact CD2-CE1 3.47Å |
| 282 | P | 95.1 | Very high | 92.8 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 5% | 0.045 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 160.5 | 168.3 | 29.8 | -36.1 | 0 | 0 | 0 | 110.5 | H207 L211 Y225 L1011 | H207-P282 HydrophobicContact CB-CG 4.26Å; L211-P282 WeakPolarHBondContact CD1-O 3.41Å; Y225-P282 HydrophobicContact CD1-CB 4.43Å; Y225-P282 HydrophobicContact CE1-CB 3.92Å; P282-L1011 HydrophobicContact CG-CD2 4.25Å |
| 283 | S | 95.9 | Very high | 92.9 | Very high | 27 Ų | 27 | 51.4 Ų | 51.4 | 19% | 0.189 | 27% | 0.269 | C | S | . | . | trans | -138.8 | 165.5 | 179.5 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | Y225 | Y225-S283 WeakPolarHBondContact CB-O 3.5Å; Y225-S283 WeakPolarHBondContact CB-OG 3.38Å; Y225-S283 WeakPolarHBondContact CD1-O 3.27Å; Y225-S283 PolarHBondContact N-O 2.99Å | ||
| 284 | V | 98.1 | Very high | 93 | Very high | 18 Ų | 18 | 47.7 Ų | 47.7 | 11% | 0.109 | 26% | 0.256 | C | S | . | . | B | Isolated β-bridge | trans | -116.5 | 133 | 177.4 | 169.9 | 0 | 0 | 0 | 0 | 109.1 | V208 L211 R212 Q222 E223 F286 | V208-V284 HydrophobicContact CB-CG2 4.21Å; V208-V284 HydrophobicContact CG1-CG2 4.07Å; V208-V284 HydrophobicContact CG2-CG2 4.14Å; L211-V284 HydrophobicContact CB-CB 4.26Å; L211-V284 HydrophobicContact CB-CG2 3.7Å; R212-V284 HydrophobicContact CB-CG1 4.02Å; Q222-V284 HydrophobicContact CB-CG1 3.65Å; E223-V284 CarbonylContact O-C 3.27Å; E223-V284 VanDerWaalsContact O-CA 3.3Å; E223-V284 WeakPolarHBondContact O-CA 3.4Å; E223-V284 WeakPolarHBondContact O-CG1 3.41Å; V284-F286 PolarHBondContact O-N 2.78Å |
| 285 | I | 98.2 | Very high | 92.6 | Very high | 42 Ų | 42 | 45.9 Ų | 45.9 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | trans | -70.2 | 117.1 | 178.1 | -55.7 | -54.9 | 0 | 0 | 0 | 109 | E223 C228 | E223-I285 PolarHBondContact O-N 3.5Å; C228-I285 HydrophobicContact CB-CG1 3.93Å | ||
| 286 | F | 98.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 46 Ų | 46 | 7% | 0.07 | 24% | 0.235 | C | C | . | . | trans | -71.6 | 127.6 | 169.2 | 179.2 | -99.3 | 0 | 0 | 0 | 109.5 | V213 W214 V284 M288 E372 F375 A376 F379 L420 | V213-F286 HydrophobicContact CB-CD2 4.15Å; V213-F286 HydrophobicContact CB-CE2 4.37Å; V213-F286 HydrophobicContact CG1-CD2 4.4Å; V213-F286 HydrophobicContact CG1-CE2 4.12Å; V213-F286 HydrophobicContact CG2-CD2 3.85Å; V213-F286 HydrophobicContact CG2-CE2 4.34Å; W214-F286 HydrophobicContact CE3-CE2 4.36Å; W214-F286 HydrophobicContact CH2-CD2 4.39Å; W214-F286 AromaticContact CH2-CE2 3.43Å; W214-F286 HydrophobicContact CH2-CE2 3.43Å; W214-F286 VanDerWaalsContact CH2-CE2 3.43Å; W214-F286 AromaticContact CH2-CZ 3.69Å; W214-F286 HydrophobicContact CH2-CZ 3.69Å; W214-F286 AromaticContact CZ3-CD2 3.83Å; W214-F286 HydrophobicContact CZ3-CD2 3.83Å; W214-F286 AromaticContact CZ3-CE2 3.3Å; W214-F286 HydrophobicContact CZ3-CE2 3.3Å; W214-F286 AromaticContact CZ3-CZ 3.91Å; W214-F286 HydrophobicContact CZ3-CZ 3.91Å; V284-F286 PolarHBondContact O-N 2.78Å; F286-M288 HydrophobicContact CE1-CB 4.07Å; F286-M288 HydrophobicContact CE1-CG 3.89Å; F286-M288 HydrophobicContact CE1-SD 3.76Å; F286-M288 HydrophobicContact CZ-CB 4.06Å; F286-M288 HydrophobicContact CZ-CG 4.22Å; F286-M288 HydrophobicContact CZ-SD 3.83Å; F286-E372 HydrophobicContact CD1-CG 3.87Å; F286-E372 HydrophobicContact CE1-CG 3.9Å; F286-F375 HydrophobicContact CE1-CB 3.71Å; F286-F375 HydrophobicContact CZ-CB 3.77Å; F286-A376 HydrophobicContact CB-CB 3.63Å; F286-A376 HydrophobicContact CD1-CB 3.63Å; F286-A376 HydrophobicContact CG-CB 3.88Å; F286-F379 HydrophobicContact CE2-CB 4.42Å; F286-F379 AromaticContact CE2-CD2 3.76Å; F286-F379 HydrophobicContact CE2-CD2 3.76Å; F286-F379 AromaticContact CZ-CD2 3.93Å; F286-F379 HydrophobicContact CZ-CD2 3.93Å; F286-F379 HydrophobicContact CZ-CE2 4.47Å; F286-L420 HydrophobicContact CZ-CD2 4.46Å | ||
| 287 | R | 98.2 | Very high | 90.5 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 5% | 0.049 | 22% | 0.224 | C | C | . | . | trans | -141.3 | 121.1 | 174.7 | -160 | 64 | 60.9 | -155.2 | 7 | 111 | H220 Q222 R330 D334 E372 | H220-R287 HydrophobicContact CB-CB 4.16Å; H220-R287 HydrophobicContact CB-CG 4.14Å; Q222-R287 PolarHBondContact NE2-O 3.35Å; Q222-R287 VanDerWaalsContact OE1-N 3.08Å; R287-R330 VanDerWaalsContact CD-NH2 3.25Å; R287-D334 IonicContact CZ-OD2 3.22Å; R287-D334 VanDerWaalsContact CZ-OD2 3.26Å; R287-D334 IonicContact NH1-OD1 2.99Å; R287-D334 IonicContact NH1-OD2 2.69Å; R287-D334 PolarHBondContact NH1-OD2 2.98Å; R287-D334 IonicContact NH2-OD2 3.8Å; R287-D334 PolarHBondContact NH2-OD2 3.47Å; R287-E372 IonicContact CZ-OE2 2.86Å; R287-E372 IonicContact NH1-OE2 2.67Å; R287-E372 PolarHBondContact NH1-OE2 3.34Å | ||
| 288 | M | 97.1 | Very high | 88.8 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.233 | C | C | . | . | trans | -123.4 | -21 | 178.6 | 76.2 | -179.8 | -70.1 | 0 | 0 | 114.3 | W214 H220 F286 E372 F375 A416 V419 L420 R423 | W214-M288 HydrophobicContact CH2-CB 3.93Å; W214-M288 HydrophobicContact CZ3-CB 4.35Å; H220-M288 PolarHBondContact CD2-O 2.95Å; H220-M288 PolarHBondContact NE2-O 2.92Å; F286-M288 HydrophobicContact CE1-CB 4.07Å; F286-M288 HydrophobicContact CE1-CG 3.89Å; F286-M288 HydrophobicContact CE1-SD 3.76Å; F286-M288 HydrophobicContact CZ-CB 4.06Å; F286-M288 HydrophobicContact CZ-CG 4.22Å; F286-M288 HydrophobicContact CZ-SD 3.83Å; M288-E372 HydrophobicContact CG-CB 4.39Å; M288-E372 HydrophobicContact CG-CG 4Å; M288-E372 PolarHBondContact N-OE1 3.24Å; M288-F375 HydrophobicContact SD-CB 4.33Å; M288-F375 HydrophobicContact SD-CD2 3.98Å; M288-F375 HydrophobicContact SD-CG 4.47Å; M288-A416 HydrophobicContact CE-CB 3.8Å; M288-V419 HydrophobicContact CB-CG1 4.5Å; M288-V419 HydrophobicContact CE-CB 3.99Å; M288-V419 HydrophobicContact CE-CG1 3.82Å; M288-L420 HydrophobicContact CE-CD2 3.93Å; M288-L420 HydrophobicContact CE-CG 3.88Å; M288-L420 HydrophobicContact SD-CD2 4.33Å; M288-R423 PolarHBondContact O-NH1 3.2Å; M288-R423 PolarHBondContact O-NH2 3.05Å; M288-R423 VanDerWaalsContact O-NH2 3.13Å | ||
| 289 | F | 96.9 | Very high | 86.7 | Confident | 2 Ų | 2 | 48.9 Ų | 48.9 | 1% | 0.009 | 25% | 0.247 | C | C | . | . | trans | -122.8 | 141.7 | -177.6 | -65.2 | -42.9 | 0 | 0 | 0 | 115 | D293 L322 R330 Y368 I371 E372 V412 Q415 A416 V419 | F289-D293 WeakPolarHBondContact CA-OD2 3.26Å; F289-D293 HydrophobicContact CB-CB 4.28Å; F289-D293 HydrophobicContact CD1-CB 3.82Å; F289-D293 HydrophobicContact CE1-CB 4.48Å; F289-D293 HydrophobicContact CG-CB 4.32Å; F289-L322 HydrophobicContact CB-CD2 3.89Å; F289-R330 PolarHBondContact O-NH2 2.66Å; F289-Y368 HydrophobicContact CD1-CD1 4.37Å; F289-Y368 AromaticContact CD2-CD1 3.79Å; F289-Y368 HydrophobicContact CD2-CD1 3.79Å; F289-Y368 HydrophobicContact CD2-CG 4.48Å; F289-Y368 HydrophobicContact CE1-CD1 4.33Å; F289-Y368 AromaticContact CE2-CD1 3.75Å; F289-Y368 HydrophobicContact CE2-CD1 3.75Å; F289-Y368 HydrophobicContact CG-CD1 4.1Å; F289-Y368 HydrophobicContact CZ-CD1 4.01Å; F289-Y368 HydrophobicContact CZ-CE1 4.36Å; F289-I371 HydrophobicContact CE2-CG2 4.32Å; F289-E372 HydrophobicContact CD2-CB 4.03Å; F289-E372 PolarHBondContact N-OE1 3.36Å; F289-V412 HydrophobicContact CE2-CG1 4.35Å; F289-V412 HydrophobicContact CZ-CG1 4.5Å; F289-Q415 HydrophobicContact CE1-CG 4.41Å; F289-A416 HydrophobicContact CE2-CB 4.48Å; F289-A416 HydrophobicContact CZ-CB 3.75Å; F289-V419 HydrophobicContact CE1-CG2 4.43Å | ||
| 290 | D | 94.3 | Very high | 84.3 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 25% | 0.251 | 27% | 0.267 | S | S | . | . | trans | -119.2 | -173.1 | 164.3 | 75.9 | 41.8 | 0 | 0 | 0 | 113.1 | H220 T292 D293 L322 | H220-D290 IonicContact CE1-OD2 2.73Å; H220-D290 PolarHBondContact CE1-OD2 3.44Å; D290-T292 PolarHBondContact O-N 3.1Å; D290-T292 WeakPolarHBondContact OD1-CA 3.33Å; D290-T292 VanDerWaalsContact OD1-CB 3.28Å; D290-T292 WeakPolarHBondContact OD1-CB 3.48Å; D290-T292 WeakPolarHBondContact OD1-CG2 3.37Å; D290-T292 PolarHBondContact OD1-N 2.76Å; D290-T292 PolarHBondContact OD1-OG1 2.92Å; D290-D293 PolarHBondContact N-OD2 3.32Å; D290-D293 VanDerWaalsContact N-OD2 3.13Å; D290-D293 WeakPolarHBondContact O-CB 3.41Å; D290-D293 PolarHBondContact O-N 3.44Å; D290-L322 VanDerWaalsContact O-CD2 3.31Å; D290-L322 WeakPolarHBondContact O-CD2 3.22Å | ||
| 291 | Y | 91.9 | Very high | 81.7 | Confident | 163 Ų | 163 | 56.7 Ų | 56.7 | 64% | 0.639 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -19.5 | -176.5 | 65.2 | -85.5 | 0 | 0 | 0 | 113.6 | D293 | Y291-D293 VanDerWaalsContact C-N 3.32Š|
| 292 | T | 92.4 | Very high | 78.8 | Confident | 84 Ų | 84 | 61.3 Ų | 61.3 | 52% | 0.515 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -14.9 | 177 | 70.5 | 0 | 0 | 0 | 0 | 113.2 | D290 R621 | D290-T292 PolarHBondContact O-N 3.1Å; D290-T292 WeakPolarHBondContact OD1-CA 3.33Å; D290-T292 VanDerWaalsContact OD1-CB 3.28Å; D290-T292 WeakPolarHBondContact OD1-CB 3.48Å; D290-T292 WeakPolarHBondContact OD1-CG2 3.37Å; D290-T292 PolarHBondContact OD1-N 2.76Å; D290-T292 PolarHBondContact OD1-OG1 2.92Å; T292-R621 PolarHBondContact O-NH2 3.43Å |
| 293 | D | 92.7 | Very high | 75.9 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 6% | 0.064 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -77.2 | -24.5 | 174.3 | -81.3 | -70.4 | 0 | 0 | 0 | 113.3 | F289 D290 Y291 Y368 Q415 R621 | F289-D293 WeakPolarHBondContact CA-OD2 3.26Å; F289-D293 HydrophobicContact CB-CB 4.28Å; F289-D293 HydrophobicContact CD1-CB 3.82Å; F289-D293 HydrophobicContact CE1-CB 4.48Å; F289-D293 HydrophobicContact CG-CB 4.32Å; D290-D293 PolarHBondContact N-OD2 3.32Å; D290-D293 VanDerWaalsContact N-OD2 3.13Å; D290-D293 WeakPolarHBondContact O-CB 3.41Å; D290-D293 PolarHBondContact O-N 3.44Å; Y291-D293 VanDerWaalsContact C-N 3.32Å; D293-Y368 HydrophobicContact CB-CD1 4.4Å; D293-Y368 HydrophobicContact CB-CE1 4.17Å; D293-Y368 VanDerWaalsContact O-CE1 3.28Å; D293-Y368 WeakPolarHBondContact O-CE1 3.35Å; D293-Y368 PolarHBondContact O-OH 2.91Å; D293-Y368 VanDerWaalsContact O-OH 3.11Å; D293-Q415 PolarHBondContact O-NE2 2.77Å; D293-Q415 PolarHBondContact O-OE1 2.71Å; D293-Q415 PolarHBondContact OD1-NE2 3.02Å; D293-R621 PolarHBondContact O-NH1 3.42Å; D293-R621 PolarHBondContact O-NH2 3.14Å |
| 294 | V | 91.7 | Very high | 72.9 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 15% | 0.145 | 36% | 0.356 | C | S | . | . | trans | -62 | 142.9 | -177.6 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | L322 A365 Y368 R621 | V294-L322 HydrophobicContact CG2-CB 3.88Å; V294-A365 HydrophobicContact CG1-CB 4.16Å; V294-A365 HydrophobicContact CG2-CB 3.79Å; V294-Y368 HydrophobicContact CG1-CE2 4.32Å; V294-Y368 HydrophobicContact CG2-CD2 4.49Å; V294-R621 PolarHBondContact O-NH2 2.98Å | ||
| 295 | I | 80.9 | Confident | 69.8 | Low | 42 Ų | 42 | 76 Ų | 76 | 22% | 0.215 | 39% | 0.391 | C | S | . | . | trans | -102.6 | 115.6 | 171.9 | -65.1 | 168.7 | 0 | 0 | 0 | 108.1 | Q297 Y368 L411 | I295-Q297 PolarHBondContact O-N 2.69Å; I295-Y368 WeakPolarHBondContact CG1-OH 3.49Å; I295-Y368 PolarHBondContact N-OH 3.46Å; I295-L411 HydrophobicContact CD1-CD1 4.25Å; I295-L411 HydrophobicContact CD1-CD2 3.69Å; I295-L411 HydrophobicContact CD1-CG 3.8Å | ||
| 296 | D | 69.7 | Low | 67 | Low | 86 Ų | 86 | 78.9 Ų | 78.9 | 46% | 0.46 | 42% | 0.415 | S | S | . | . | trans | -66.7 | 114.1 | 168 | -73.5 | -56.5 | 0 | 0 | 0 | 109.7 | ||||
| 297 | Q | 56.9 | Low | 64.1 | Low | 111 Ų | 111 | 85.4 Ų | 85.4 | 52% | 0.519 | 45% | 0.451 | S | S | . | . | S | Bend | trans | -84.3 | -25.5 | -178.3 | -61.4 | -179.3 | 16.8 | 0 | 0 | 112 | I295 E299 N300 | I295-Q297 PolarHBondContact O-N 2.69Å; Q297-E299 VanDerWaalsContact C-N 3.31Å; Q297-E299 PolarHBondContact O-N 3.31Å; Q297-N300 PolarHBondContact O-ND2 3Å |
| 298 | D | 51.1 | Low | 61.3 | Low | 71 Ų | 71 | 93.6 Ų | 93.6 | 38% | 0.38 | 50% | 0.495 | S | S | . | . | G | 310 helix | trans | -68.1 | -17.4 | -175.7 | -82 | -46 | 0 | 0 | 0 | 114.5 | N300 E301 K317 | D298-N300 PolarHBondContact O-N 3.22Å; D298-E301 PolarHBondContact O-N 3.24Å; D298-K317 IonicContact OD1-NZ 2.68Å; D298-K317 PolarHBondContact OD1-NZ 3.37Å |
| 299 | E | 44.4 | Very low | 58.6 | Low | 156 Ų | 156 | 98.9 Ų | 98.9 | 73% | 0.729 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -61.6 | -11.8 | 178.4 | -72.5 | -156.7 | 136.8 | 0 | 0 | 114.1 | Q297 | Q297-E299 VanDerWaalsContact C-N 3.31Å; Q297-E299 PolarHBondContact O-N 3.31Å |
| 300 | N | 41.3 | Very low | 55.8 | Low | 88 Ų | 88 | 104.2 Ų | 104.2 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | G | 310 helix | trans | -97.6 | -8.4 | -172.3 | -52.4 | -78 | 0 | 0 | 0 | 113.5 | Q297 D298 I302 R617 | Q297-N300 PolarHBondContact O-ND2 3Å; D298-N300 PolarHBondContact O-N 3.22Å; N300-I302 PolarHBondContact O-N 3.26Å; N300-R617 PolarHBondContact OD1-NH2 2.89Å |
| 301 | E | 36.9 | Very low | 53.1 | Low | 135 Ų | 135 | 109.9 Ų | 109.9 | 63% | 0.631 | 60% | 0.599 | S | S | * | * | trans | -80.2 | 56.2 | 167 | -69.5 | -164 | 125.5 | 0 | 0 | 111.3 | D298 V303 K317 | D298-E301 PolarHBondContact O-N 3.24Å; E301-V303 PolarHBondContact O-N 2.9Å; E301-K317 IonicContact OE2-NZ 3.21Å; E301-K317 PolarHBondContact OE2-NZ 3.03Å | ||
| 302 | I | 33.4 | Very low | 50.5 | Low | 144 Ų | 144 | 105.4 Ų | 105.4 | 74% | 0.738 | 60% | 0.603 | S | S | * | * | trans | -73.2 | 78.7 | 164.3 | -54.3 | -179.4 | 0 | 0 | 0 | 107.8 | N300 P304 | N300-I302 PolarHBondContact O-N 3.26Å; I302-P304 WeakPolarHBondContact O-CD 3.32Å | ||
| 303 | V | 32.9 | Very low | 47.7 | Very low | 99 Ų | 99 | 108.3 Ų | 108.3 | 60% | 0.6 | 62% | 0.62 | S | S | * | * | trans | -66.7 | 111.6 | 172.7 | -179.8 | 0 | 0 | 0 | 0 | 108.4 | E301 N305 | E301-V303 PolarHBondContact O-N 2.9Å; V303-N305 PolarHBondContact O-N 2.91Å | ||
| 304 | P | 33.1 | Very low | 45.2 | Very low | 104 Ų | 104 | 117.3 Ų | 117.3 | 68% | 0.675 | 66% | 0.659 | S | S | * | * | trans | -81.9 | 109.2 | -178.3 | -5.9 | 25.4 | 0 | 0 | 0 | 109.2 | I302 | I302-P304 WeakPolarHBondContact O-CD 3.32Š| ||
| 305 | N | 33.1 | Very low | 42.6 | Very low | 157 Ų | 157 | 121.3 Ų | 121.3 | 84% | 0.84 | 69% | 0.687 | S | S | * | * | trans | 65.7 | 101.9 | 175.3 | -43.7 | -49.3 | 0 | 0 | 0 | 115.4 | V303 | V303-N305 PolarHBondContact O-N 2.91Š| ||
| 306 | S | 39.1 | Very low | 40.8 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | trans | -133.7 | 136 | 147.7 | 57.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 307 | D | 39.1 | Very low | 40.1 | Very low | 154 Ų | 154 | 125.8 Ų | 125.8 | 82% | 0.824 | 71% | 0.714 | S | S | * | * | trans | -72.6 | 165.5 | -154.7 | -64 | -73.1 | 0 | 0 | 0 | 116.5 | S309 | D307-S309 PolarHBondContact O-N 3.1Š| ||
| 308 | L | 38.3 | Very low | 40.4 | Very low | 185 Ų | 185 | 127.1 Ų | 127.1 | 97% | 0.969 | 72% | 0.72 | S | S | * | * | trans | -60.2 | 89.8 | 175.2 | -71.1 | 152.1 | 0 | 0 | 0 | 112.6 | ||||
| 309 | S | 41.1 | Very low | 41.5 | Very low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 72% | 0.721 | S | S | * | * | trans | -102.8 | 100.5 | 163.2 | 58.1 | 0 | 0 | 0 | 0 | 111.1 | D307 D311 | D307-S309 PolarHBondContact O-N 3.1Å; S309-D311 PolarHBondContact O-N 3.47Å; S309-D311 VanDerWaalsContact O-N 3.11Å | ||
| 310 | S | 37.7 | Very low | 43.5 | Very low | 114 Ų | 114 | 122.2 Ų | 122.2 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | -80.1 | 85.9 | 173.1 | 58.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 311 | D | 38.3 | Very low | 45.8 | Very low | 166 Ų | 166 | 122.1 Ų | 122.1 | 89% | 0.888 | 71% | 0.707 | S | S | * | * | trans | 175.2 | 98.8 | 145.2 | -91.7 | -19.3 | 0 | 0 | 0 | 109.2 | S309 | S309-D311 PolarHBondContact O-N 3.47Å; S309-D311 VanDerWaalsContact O-N 3.11Å | ||
| 312 | G | 35.4 | Very low | 48.6 | Very low | 69 Ų | 69 | 116 Ų | 116 | 71% | 0.711 | 68% | 0.678 | S | S | * | * | trans | -165.3 | 127.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | K314 | G312-K314 PolarHBondContact O-N 3.08Š| ||
| 313 | V | 35.5 | Very low | 51.6 | Low | 144 Ų | 144 | 110 Ų | 110 | 87% | 0.873 | 65% | 0.649 | S | S | * | * | trans | -65.3 | 115.5 | 175.7 | 177.1 | 0 | 0 | 0 | 0 | 108.5 | S315 | V313-S315 VanDerWaalsContact C-N 3.29Å; V313-S315 PolarHBondContact O-N 2.72Å | ||
| 314 | K | 38.7 | Very low | 54.5 | Low | 202 Ų | 202 | 107 Ų | 107 | 88% | 0.878 | 64% | 0.639 | S | S | * | * | trans | -67.8 | 88.1 | 171 | -74.2 | -170.8 | 175.6 | -174 | 0 | 109.8 | G312 S316 | G312-K314 PolarHBondContact O-N 3.08Å; K314-S316 VanDerWaalsContact C-N 3.34Å; K314-S316 PolarHBondContact O-N 2.85Å | ||
| 315 | S | 37.9 | Very low | 57.5 | Low | 107 Ų | 107 | 103.5 Ų | 103.5 | 75% | 0.748 | 62% | 0.618 | S | S | * | * | trans | -66 | 96.3 | 161.8 | 57.1 | 0 | 0 | 0 | 0 | 108.2 | V313 K317 | V313-S315 VanDerWaalsContact C-N 3.29Å; V313-S315 PolarHBondContact O-N 2.72Å; S315-K317 PolarHBondContact O-N 2.87Å | ||
| 316 | S | 42.3 | Very low | 60.5 | Low | 100 Ų | 100 | 99.4 Ų | 99.4 | 70% | 0.699 | 59% | 0.593 | S | S | * | * | trans | -58 | 112.9 | 170.3 | 45.8 | 0 | 0 | 0 | 0 | 108.9 | K314 E318 | K314-S316 VanDerWaalsContact C-N 3.34Å; K314-S316 PolarHBondContact O-N 2.85Å; S316-E318 VanDerWaalsContact C-N 3.28Å; S316-E318 PolarHBondContact O-N 3.4Å | ||
| 317 | K | 55.9 | Low | 63.3 | Low | 122 Ų | 122 | 96.7 Ų | 96.7 | 53% | 0.53 | 57% | 0.573 | S | S | . | * | trans | -56.4 | 98.4 | 160.6 | -86 | -178 | 175.3 | 175.1 | 0 | 105.9 | D298 E301 S315 T319 | D298-K317 IonicContact OD1-NZ 2.68Å; D298-K317 PolarHBondContact OD1-NZ 3.37Å; E301-K317 IonicContact OE2-NZ 3.21Å; E301-K317 PolarHBondContact OE2-NZ 3.03Å; S315-K317 PolarHBondContact O-N 2.87Å; K317-T319 PolarHBondContact O-N 3.22Å; K317-T319 VanDerWaalsContact O-N 3.16Å | ||
| 318 | E | 62 | Low | 66.1 | Low | 140 Ų | 140 | 89.5 Ų | 89.5 | 65% | 0.654 | 53% | 0.534 | S | S | * | . | trans | -60.3 | 120.1 | 165.8 | -70 | -173.9 | 150.3 | 0 | 0 | 107.1 | S316 K363 | S316-E318 VanDerWaalsContact C-N 3.28Å; S316-E318 PolarHBondContact O-N 3.4Å; E318-K363 VanDerWaalsContact O-CD 3.23Å; E318-K363 WeakPolarHBondContact O-CD 3.18Å; E318-K363 PolarHBondContact O-NZ 3.08Å | ||
| 319 | T | 76.1 | Confident | 68.9 | Low | 66 Ų | 66 | 82.1 Ų | 82.1 | 41% | 0.405 | 50% | 0.495 | S | S | . | . | trans | -72.5 | 144.6 | 177.8 | 45.4 | 0 | 0 | 0 | 0 | 109.8 | K317 V321 | K317-T319 PolarHBondContact O-N 3.22Å; K317-T319 VanDerWaalsContact O-N 3.16Å; T319-V321 PolarHBondContact O-N 3.29Å | ||
| 320 | P | 85.8 | Confident | 71.6 | Confident | 58 Ų | 58 | 77 Ų | 77 | 38% | 0.377 | 46% | 0.458 | S | S | . | . | trans | -72.5 | 110.5 | -178.4 | -14 | 29.7 | 0 | 0 | 0 | 111.3 | V364 | P320-V364 WeakPolarHBondContact CB-O 3.33Š| ||
| 321 | V | 90.4 | Very high | 74.5 | Confident | 86 Ų | 86 | 72.5 Ų | 72.5 | 52% | 0.521 | 43% | 0.425 | S | S | . | . | B | Isolated β-bridge | trans | -91.1 | 146.6 | 179.2 | -177.9 | 0 | 0 | 0 | 0 | 110.6 | T319 P323 V364 A365 | T319-V321 PolarHBondContact O-N 3.29Å; V321-P323 WeakPolarHBondContact O-CD 3.49Å; V321-V364 VanDerWaalsContact O-CA 3.31Å; V321-V364 WeakPolarHBondContact O-CA 3.4Å; V321-A365 PolarHBondContact O-N 2.84Å; V321-A365 VanDerWaalsContact O-N 3.08Å |
| 322 | L | 94.6 | Very high | 77.3 | Confident | 5 Ų | 5 | 65 Ų | 65 | 3% | 0.026 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -81.6 | 119.3 | 169.2 | -168.4 | 71.2 | 0 | 0 | 0 | 109.9 | F289 D290 V294 G324 A365 M369 | F289-L322 HydrophobicContact CB-CD2 3.89Å; D290-L322 VanDerWaalsContact O-CD2 3.31Å; D290-L322 WeakPolarHBondContact O-CD2 3.22Å; V294-L322 HydrophobicContact CG2-CB 3.88Å; L322-G324 PolarHBondContact O-N 2.84Å; L322-A365 HydrophobicContact CB-CB 4.13Å; L322-A365 HydrophobicContact CD1-CB 4.16Å; L322-M369 HydrophobicContact CD1-CG 3.39Å; L322-M369 HydrophobicContact CD1-SD 4.1Å |
| 323 | P | 95.5 | Very high | 80.2 | Confident | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.123 | 35% | 0.352 | C | S | . | . | P | Polyproline II helix | trans | -62.2 | 136 | -179.3 | -22.3 | 33.7 | 0 | 0 | 0 | 112.2 | V321 T327 E329 R330 V364 M369 | V321-P323 WeakPolarHBondContact O-CD 3.49Å; P323-T327 WeakPolarHBondContact CB-OG1 3.38Å; P323-E329 HydrophobicContact CB-CB 3.82Å; P323-E329 HydrophobicContact CG-CB 4.12Å; P323-R330 HydrophobicContact CB-CB 4.17Å; P323-R330 WeakPolarHBondContact O-CD 3.22Å; P323-R330 PolarHBondContact O-NH1 3.01Å; P323-V364 HydrophobicContact CG-CB 4.48Å; P323-V364 HydrophobicContact CG-CG1 3.83Å; P323-M369 HydrophobicContact CG-SD 4.45Å |
| 324 | G | 95.5 | Very high | 83.2 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 38% | 0.381 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 154.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L322 H326 T327 R330 | L322-G324 PolarHBondContact O-N 2.84Å; G324-H326 VanDerWaalsContact C-N 3.3Å; G324-H326 PolarHBondContact O-N 3.29Å; G324-T327 PolarHBondContact N-OG1 2.8Å; G324-T327 WeakPolarHBondContact O-CB 3.42Å; G324-T327 PolarHBondContact O-N 3.25Å; G324-T327 PolarHBondContact O-OG1 3.34Å; G324-R330 WeakPolarHBondContact O-CB 3.36Å |
| 325 | A | 95.4 | Very high | 85.9 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 24% | 0.24 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -40.8 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q232 T327 | Q232-A325 PolarHBondContact NE2-O 3.29Å; A325-T327 VanDerWaalsContact C-N 3.34Å; A325-T327 PolarHBondContact O-N 3.33Å |
| 326 | H | 97 | Very high | 88.6 | Confident | 71 Ų | 71 | 46.1 Ų | 46.1 | 33% | 0.329 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | 22.8 | 176 | -54.4 | 132.9 | 0 | 0 | 0 | 114.4 | E223 A231 N235 G324 | E223-H326 VanDerWaalsContact CD-NE2 3.26Å; E223-H326 IonicContact OE1-CD2 2.83Å; E223-H326 IonicContact OE1-CE1 3.87Å; E223-H326 IonicContact OE1-NE2 3.37Å; E223-H326 PolarHBondContact OE1-NE2 2.96Å; E223-H326 IonicContact OE2-CD2 3.85Å; E223-H326 IonicContact OE2-CE1 3.71Å; E223-H326 IonicContact OE2-NE2 2.78Å; E223-H326 PolarHBondContact OE2-NE2 3.19Å; A231-H326 HydrophobicContact CB-CB 4.41Å; N235-H326 WeakPolarHBondContact ND2-CB 3.25Å; N235-H326 PolarHBondContact ND2-O 3.48Å; G324-H326 VanDerWaalsContact C-N 3.3Å; G324-H326 PolarHBondContact O-N 3.29Å |
| 327 | T | 97.4 | Very high | 91.2 | Very high | 45 Ų | 45 | 41.3 Ų | 41.3 | 28% | 0.276 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -94.5 | 140 | 167.3 | 65.9 | 0 | 0 | 0 | 0 | 109.9 | P323 G324 A325 E329 R330 | P323-T327 WeakPolarHBondContact CB-OG1 3.38Å; G324-T327 PolarHBondContact N-OG1 2.8Å; G324-T327 WeakPolarHBondContact O-CB 3.42Å; G324-T327 PolarHBondContact O-N 3.25Å; G324-T327 PolarHBondContact O-OG1 3.34Å; A325-T327 VanDerWaalsContact C-N 3.34Å; A325-T327 PolarHBondContact O-N 3.33Å; T327-E329 PolarHBondContact O-N 3.14Å; T327-R330 WeakPolarHBondContact O-CB 3.09Å; T327-R330 PolarHBondContact O-N 2.84Å; T327-R330 VanDerWaalsContact O-N 3.11Å; T327-R330 PolarHBondContact OG1-N 2.63Å |
| 328 | I | 98.1 | Very high | 93.1 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -67.6 | -25.9 | 178.7 | -161.3 | 66.9 | 0 | 0 | 0 | 111.5 | P175 L229 Q232 I233 L236 E243 R330 F331 L332 | P175-I328 HydrophobicContact CB-CG1 3.98Å; P175-I328 HydrophobicContact CG-CD1 3.72Å; P175-I328 HydrophobicContact CG-CG1 3.62Å; L229-I328 HydrophobicContact CD1-CD1 3.96Å; Q232-I328 HydrophobicContact CB-CB 4.47Å; Q232-I328 HydrophobicContact CB-CD1 3.85Å; I233-I328 HydrophobicContact CD1-CD1 3.81Å; I233-I328 HydrophobicContact CG1-CD1 4.42Å; L236-I328 HydrophobicContact CB-CB 4.39Å; L236-I328 HydrophobicContact CB-CG2 4.25Å; L236-I328 HydrophobicContact CD1-CG2 4.04Å; L236-I328 HydrophobicContact CD2-CG1 4.27Å; L236-I328 HydrophobicContact CD2-CG2 4.22Å; L236-I328 HydrophobicContact CG-CG2 4.38Å; E243-I328 HydrophobicContact CB-CG2 3.75Å; I328-R330 VanDerWaalsContact C-N 3.25Å; I328-R330 PolarHBondContact O-N 3.3Å; I328-F331 HydrophobicContact CD1-CB 4.39Å; I328-F331 HydrophobicContact CD1-CD1 3.65Å; I328-F331 HydrophobicContact CD1-CE1 4.34Å; I328-F331 HydrophobicContact CD1-CG 4.32Å; I328-F331 HydrophobicContact CG1-CD1 4.39Å; I328-F331 PolarHBondContact O-N 2.82Å; I328-L332 HydrophobicContact CG1-CD1 4.16Å; I328-L332 HydrophobicContact CG1-CG 4.27Å; I328-L332 HydrophobicContact CG2-CD1 4.29Å; I328-L332 WeakPolarHBondContact O-CB 3.33Å; I328-L332 VanDerWaalsContact O-CG 3.3Å; I328-L332 WeakPolarHBondContact O-CG 3.48Å; I328-L332 PolarHBondContact O-N 3.33Å |
| 329 | E | 97.1 | Very high | 94.6 | Very high | 30 Ų | 30 | 30.8 Ų | 30.8 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -53 | -39.8 | 169.4 | -75.1 | 74 | -169.3 | 0 | 0 | 113 | E243 K244 V245 P323 T327 I333 | E243-E329 VanDerWaalsContact CA-OE1 3.31Å; E243-E329 WeakPolarHBondContact CA-OE1 3.47Å; K244-E329 HydrophobicContact CB-CG 4.37Å; K244-E329 PolarHBondContact N-OE1 3.17Å; V245-E329 HydrophobicContact CB-CG 4.29Å; V245-E329 HydrophobicContact CG1-CB 3.83Å; V245-E329 HydrophobicContact CG1-CG 3.57Å; V245-E329 HydrophobicContact CG2-CB 4.09Å; V245-E329 HydrophobicContact CG2-CG 3.96Å; P323-E329 HydrophobicContact CB-CB 3.82Å; P323-E329 HydrophobicContact CG-CB 4.12Å; T327-E329 PolarHBondContact O-N 3.14Å; E329-I333 WeakPolarHBondContact O-CD1 3.42Å; E329-I333 WeakPolarHBondContact O-CG1 3.42Å; E329-I333 PolarHBondContact O-N 3.1Å |
| 330 | R | 97.6 | Very high | 95.4 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65 | -51.4 | 178.1 | -169.7 | 56.7 | 168 | -87.5 | 5.2 | 110.2 | R287 F289 P323 G324 T327 I328 I333 D334 E372 | R287-R330 VanDerWaalsContact CD-NH2 3.25Å; F289-R330 PolarHBondContact O-NH2 2.66Å; P323-R330 HydrophobicContact CB-CB 4.17Å; P323-R330 WeakPolarHBondContact O-CD 3.22Å; P323-R330 PolarHBondContact O-NH1 3.01Å; G324-R330 WeakPolarHBondContact O-CB 3.36Å; T327-R330 WeakPolarHBondContact O-CB 3.09Å; T327-R330 PolarHBondContact O-N 2.84Å; T327-R330 VanDerWaalsContact O-N 3.11Å; T327-R330 PolarHBondContact OG1-N 2.63Å; I328-R330 VanDerWaalsContact C-N 3.25Å; I328-R330 PolarHBondContact O-N 3.3Å; R330-I333 PolarHBondContact O-N 3.26Å; R330-D334 IonicContact NE-OD1 3.23Å; R330-D334 IonicContact NE-OD2 3.37Å; R330-D334 WeakPolarHBondContact O-CB 3.35Å; R330-D334 PolarHBondContact O-N 2.9Å; R330-E372 IonicContact CZ-OE2 2.94Å; R330-E372 IonicContact NE-OE2 2.64Å; R330-E372 IonicContact NH2-OE1 2.67Å; R330-E372 PolarHBondContact NH2-OE1 3.04Å; R330-E372 IonicContact NH2-OE2 3.85Å; R330-E372 PolarHBondContact NH2-OE2 3.29Å |
| 331 | F | 97.9 | Very high | 95.8 | Very high | 20 Ų | 20 | 25.7 Ų | 25.7 | 9% | 0.088 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 178 | 163.8 | -97.4 | 0 | 0 | 0 | 113.9 | Y168 Y172 L229 I328 I333 D334 E335 | Y168-F331 HydrophobicContact CE2-CE2 4.38Å; Y172-F331 AromaticContact CD2-CE1 3.64Å; Y172-F331 HydrophobicContact CD2-CE1 3.64Å; Y172-F331 AromaticContact CD2-CZ 3.51Å; Y172-F331 HydrophobicContact CD2-CZ 3.51Å; Y172-F331 HydrophobicContact CE2-CE1 4.13Å; Y172-F331 HydrophobicContact CE2-CZ 4.04Å; Y172-F331 HydrophobicContact CG-CZ 4.08Å; L229-F331 HydrophobicContact CD1-CD1 3.91Å; L229-F331 HydrophobicContact CD1-CD2 4.04Å; L229-F331 HydrophobicContact CD1-CE1 3.81Å; L229-F331 HydrophobicContact CD1-CE2 3.96Å; L229-F331 HydrophobicContact CD1-CG 4.02Å; L229-F331 HydrophobicContact CD1-CZ 3.84Å; L229-F331 HydrophobicContact CD2-CE2 4.26Å; L229-F331 HydrophobicContact CD2-CZ 4.17Å; I328-F331 HydrophobicContact CD1-CB 4.39Å; I328-F331 HydrophobicContact CD1-CD1 3.65Å; I328-F331 HydrophobicContact CD1-CE1 4.34Å; I328-F331 HydrophobicContact CD1-CG 4.32Å; I328-F331 HydrophobicContact CG1-CD1 4.39Å; I328-F331 PolarHBondContact O-N 2.82Å; F331-I333 VanDerWaalsContact C-N 3.25Å; F331-I333 PolarHBondContact O-N 2.84Å; F331-D334 PolarHBondContact O-N 3.01Å; F331-E335 WeakPolarHBondContact O-CB 3.44Å; F331-E335 PolarHBondContact O-N 2.99Å |
| 332 | L | 97.3 | Very high | 95.7 | Very high | 10 Ų | 10 | 24 Ų | 24 | 5% | 0.052 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.9 | -32.9 | -179.4 | -76.2 | 166.8 | 0 | 0 | 0 | 112.9 | P175 Y176 E243 V245 I328 H336 | P175-L332 HydrophobicContact CB-CD1 4.14Å; P175-L332 HydrophobicContact CB-CD2 3.92Å; P175-L332 HydrophobicContact CB-CG 4.37Å; P175-L332 HydrophobicContact CG-CD2 4.41Å; Y176-L332 HydrophobicContact CE1-CD2 4.44Å; Y176-L332 HydrophobicContact CE2-CD2 3.89Å; Y176-L332 WeakPolarHBondContact OH-CD2 3.17Å; E243-L332 HydrophobicContact CB-CD1 4.24Å; E243-L332 HydrophobicContact CG-CD1 4.05Å; V245-L332 HydrophobicContact CG2-CB 4.02Å; V245-L332 HydrophobicContact CG2-CD1 4.09Å; I328-L332 HydrophobicContact CG1-CD1 4.16Å; I328-L332 HydrophobicContact CG1-CG 4.27Å; I328-L332 HydrophobicContact CG2-CD1 4.29Å; I328-L332 WeakPolarHBondContact O-CB 3.33Å; I328-L332 VanDerWaalsContact O-CG 3.3Å; I328-L332 WeakPolarHBondContact O-CG 3.48Å; I328-L332 PolarHBondContact O-N 3.33Å; L332-H336 WeakPolarHBondContact O-CB 3.48Å |
| 333 | I | 97.1 | Very high | 95.4 | Very high | 4 Ų | 4 | 25.3 Ų | 25.3 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -82.4 | -47.4 | 175.1 | -62.3 | 163.5 | 0 | 0 | 0 | 110.1 | V245 E329 R330 F331 E335 H336 L337 L358 T360 V364 M369 | V245-I333 HydrophobicContact CB-CD1 4.15Å; V245-I333 HydrophobicContact CB-CG1 4.39Å; V245-I333 HydrophobicContact CG1-CD1 3.85Å; V245-I333 HydrophobicContact CG2-CD1 4.34Å; V245-I333 HydrophobicContact CG2-CG1 4.23Å; E329-I333 WeakPolarHBondContact O-CD1 3.42Å; E329-I333 WeakPolarHBondContact O-CG1 3.42Å; E329-I333 PolarHBondContact O-N 3.1Å; R330-I333 PolarHBondContact O-N 3.26Å; F331-I333 VanDerWaalsContact C-N 3.25Å; F331-I333 PolarHBondContact O-N 2.84Å; I333-E335 PolarHBondContact O-N 3.09Å; I333-H336 PolarHBondContact O-N 3.46Å; I333-H336 VanDerWaalsContact O-N 3.1Å; I333-L337 HydrophobicContact CG2-CD1 3.74Å; I333-L337 HydrophobicContact CG2-CG 4.01Å; I333-L337 VanDerWaalsContact O-CG 3.31Å; I333-L337 WeakPolarHBondContact O-CG 3.39Å; I333-L337 PolarHBondContact O-N 3.36Å; I333-L358 HydrophobicContact CG2-CD2 4.1Å; I333-T360 HydrophobicContact CD1-CG2 4.16Å; I333-T360 HydrophobicContact CG1-CG2 4.22Å; I333-V364 HydrophobicContact CD1-CB 4.36Å; I333-V364 HydrophobicContact CD1-CG1 3.96Å; I333-V364 HydrophobicContact CD1-CG2 3.99Å; I333-M369 HydrophobicContact CB-CE 3.55Å; I333-M369 HydrophobicContact CB-SD 4.29Å; I333-M369 HydrophobicContact CD1-CE 3.97Å; I333-M369 HydrophobicContact CD1-SD 3.85Å; I333-M369 HydrophobicContact CG1-CE 4.38Å; I333-M369 HydrophobicContact CG2-CB 4.44Å; I333-M369 HydrophobicContact CG2-CE 3.49Å; I333-M369 VanDerWaalsContact CG2-CE 3.49Å; I333-M369 HydrophobicContact CG2-SD 3.86Å |
| 334 | D | 97 | Very high | 95.1 | Very high | 30 Ų | 30 | 24.6 Ų | 24.6 | 16% | 0.16 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -55.4 | -46.7 | -179.2 | -70 | -3.5 | 0 | 0 | 0 | 111.9 | R287 R330 F331 L337 A338 M369 | R287-D334 IonicContact CZ-OD2 3.22Å; R287-D334 VanDerWaalsContact CZ-OD2 3.26Å; R287-D334 IonicContact NH1-OD1 2.99Å; R287-D334 IonicContact NH1-OD2 2.69Å; R287-D334 PolarHBondContact NH1-OD2 2.98Å; R287-D334 IonicContact NH2-OD2 3.8Å; R287-D334 PolarHBondContact NH2-OD2 3.47Å; R330-D334 IonicContact NE-OD1 3.23Å; R330-D334 IonicContact NE-OD2 3.37Å; R330-D334 WeakPolarHBondContact O-CB 3.35Å; R330-D334 PolarHBondContact O-N 2.9Å; F331-D334 PolarHBondContact O-N 3.01Å; D334-L337 PolarHBondContact O-N 3.46Å; D334-A338 WeakPolarHBondContact O-CB 3.31Å; D334-A338 PolarHBondContact O-N 2.82Å; D334-M369 WeakPolarHBondContact OD1-CE 3.35Å |
| 335 | E | 95.5 | Very high | 94.8 | Very high | 32 Ų | 32 | 24.3 Ų | 24.3 | 15% | 0.15 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.3 | -38.2 | 176.5 | 174.2 | 71.3 | 179 | 0 | 0 | 111.8 | K121 Y172 F331 I333 A338 I339 | K121-E335 IonicContact NZ-OE1 3.59Å; K121-E335 PolarHBondContact NZ-OE1 3.09Å; Y172-E335 HydrophobicContact CE1-CG 4.39Å; Y172-E335 HydrophobicContact CE2-CG 3.9Å; Y172-E335 VanDerWaalsContact OH-CG 3.25Å; Y172-E335 WeakPolarHBondContact OH-CG 3.44Å; Y172-E335 PolarHBondContact OH-OE1 3.44Å; F331-E335 WeakPolarHBondContact O-CB 3.44Å; F331-E335 PolarHBondContact O-N 2.99Å; I333-E335 PolarHBondContact O-N 3.09Å; E335-A338 PolarHBondContact O-N 3.43Å; E335-I339 HydrophobicContact CG-CD1 3.98Å; E335-I339 VanDerWaalsContact O-CG1 3.25Å; E335-I339 WeakPolarHBondContact O-CG1 3.24Å; E335-I339 PolarHBondContact O-N 3.29Å |
| 336 | H | 95.6 | Very high | 94.4 | Very high | 58 Ų | 58 | 27 Ų | 27 | 27% | 0.269 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -69.5 | -40.2 | 178 | -164.4 | 174.3 | 0 | 0 | 0 | 111.7 | E77 L332 I333 A338 I339 L340 L358 | E77-H336 PolarHBondContact O-NE2 2.95Å; L332-H336 WeakPolarHBondContact O-CB 3.48Å; I333-H336 PolarHBondContact O-N 3.46Å; I333-H336 VanDerWaalsContact O-N 3.1Å; H336-A338 VanDerWaalsContact C-N 3.32Å; H336-A338 PolarHBondContact O-N 3.1Å; H336-I339 PolarHBondContact O-N 3.49Å; H336-L340 WeakPolarHBondContact O-CB 3.38Å; H336-L340 WeakPolarHBondContact O-CG 3.37Å; H336-L340 PolarHBondContact O-N 2.76Å; H336-L358 WeakPolarHBondContact ND1-CD1 3.42Å |
| 337 | L | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.8 | -40.6 | 172.3 | -65.5 | 173.9 | 0 | 0 | 0 | 111.1 | I333 D334 L340 M341 L355 L358 L366 M369 I370 A373 | I333-L337 HydrophobicContact CG2-CD1 3.74Å; I333-L337 HydrophobicContact CG2-CG 4.01Å; I333-L337 VanDerWaalsContact O-CG 3.31Å; I333-L337 WeakPolarHBondContact O-CG 3.39Å; I333-L337 PolarHBondContact O-N 3.36Å; D334-L337 PolarHBondContact O-N 3.46Å; L337-L340 PolarHBondContact O-N 3.45Å; L337-M341 WeakPolarHBondContact O-CE 3.5Å; L337-M341 WeakPolarHBondContact O-CG 3.46Å; L337-M341 PolarHBondContact O-N 2.84Å; L337-L355 HydrophobicContact CB-CD2 4.21Å; L337-L355 HydrophobicContact CD2-CD2 3.51Å; L337-L355 HydrophobicContact CG-CD2 4.46Å; L337-L358 HydrophobicContact CD2-CD2 3.76Å; L337-L358 HydrophobicContact CG-CD2 4.27Å; L337-L366 HydrophobicContact CD2-CD1 4.47Å; L337-M369 HydrophobicContact CD1-CB 3.89Å; L337-I370 HydrophobicContact CD1-CG1 4.48Å; L337-I370 HydrophobicContact CD2-CG1 4Å; L337-A373 HydrophobicContact CB-CB 3.95Å; L337-A373 HydrophobicContact CD1-CB 3.97Å |
| 338 | A | 94.9 | Very high | 93.8 | Very high | 32 Ų | 32 | 28.7 Ų | 28.7 | 26% | 0.264 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.2 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D334 E335 H336 L340 M341 N342 | D334-A338 WeakPolarHBondContact O-CB 3.31Å; D334-A338 PolarHBondContact O-N 2.82Å; E335-A338 PolarHBondContact O-N 3.43Å; H336-A338 VanDerWaalsContact C-N 3.32Å; H336-A338 PolarHBondContact O-N 3.1Å; A338-L340 PolarHBondContact O-N 3.35Å; A338-M341 PolarHBondContact O-N 3.01Å; A338-N342 VanDerWaalsContact O-CG 3.32Å; A338-N342 PolarHBondContact O-N 3.26Å; A338-N342 PolarHBondContact O-ND2 3.01Å |
| 339 | I | 93.4 | Very high | 93.6 | Very high | 8 Ų | 8 | 31.1 Ų | 31.1 | 4% | 0.041 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -45.7 | 175.4 | -70.1 | 166.2 | 0 | 0 | 0 | 110.8 | P76 E77 Y122 E335 H336 M341 N342 N343 | P76-I339 HydrophobicContact CB-CG2 4.32Å; P76-I339 HydrophobicContact CG-CG2 3.76Å; E77-I339 HydrophobicContact CB-CG2 3.98Å; Y122-I339 HydrophobicContact CE1-CD1 4.04Å; E335-I339 HydrophobicContact CG-CD1 3.98Å; E335-I339 VanDerWaalsContact O-CG1 3.25Å; E335-I339 WeakPolarHBondContact O-CG1 3.24Å; E335-I339 PolarHBondContact O-N 3.29Å; H336-I339 PolarHBondContact O-N 3.49Å; I339-M341 PolarHBondContact O-N 3.4Å; I339-N342 PolarHBondContact O-N 3.07Å; I339-N343 WeakPolarHBondContact O-CB 3.2Å; I339-N343 PolarHBondContact O-N 2.98Å |
| 340 | L | 93.7 | Very high | 93.4 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 6% | 0.058 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -46 | 177.4 | -76.7 | 170.7 | 0 | 0 | 0 | 112 | E77 H336 L337 A338 L344 A354 L355 | E77-L340 HydrophobicContact CB-CD2 3.75Å; E77-L340 HydrophobicContact CB-CG 4.34Å; E77-L340 HydrophobicContact CG-CD2 3.91Å; H336-L340 WeakPolarHBondContact O-CB 3.38Å; H336-L340 WeakPolarHBondContact O-CG 3.37Å; H336-L340 PolarHBondContact O-N 2.76Å; L337-L340 PolarHBondContact O-N 3.45Å; A338-L340 PolarHBondContact O-N 3.35Å; L340-L344 HydrophobicContact CD2-CD1 4.14Å; L340-L344 VanDerWaalsContact O-CB 3.29Å; L340-L344 WeakPolarHBondContact O-CB 3.48Å; L340-L344 PolarHBondContact O-N 2.84Å; L340-A354 HydrophobicContact CD2-CB 4.01Å; L340-L355 HydrophobicContact CB-CD2 3.85Å; L340-L355 HydrophobicContact CD1-CD2 4.13Å |
| 341 | M | 93.6 | Very high | 93.2 | Very high | 7 Ų | 7 | 31.8 Ų | 31.8 | 3% | 0.034 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 177 | -76.8 | -173.7 | -69.2 | 0 | 0 | 112.9 | L337 A338 I339 S345 L355 A373 V374 F393 Y394 L397 | L337-M341 WeakPolarHBondContact O-CE 3.5Å; L337-M341 WeakPolarHBondContact O-CG 3.46Å; L337-M341 PolarHBondContact O-N 2.84Å; A338-M341 PolarHBondContact O-N 3.01Å; I339-M341 PolarHBondContact O-N 3.4Å; M341-S345 WeakPolarHBondContact O-CA 3.32Å; M341-S345 VanDerWaalsContact O-CB 3.27Å; M341-S345 WeakPolarHBondContact O-CB 3.4Å; M341-S345 PolarHBondContact O-N 3.35Å; M341-S345 VanDerWaalsContact O-N 3.1Å; M341-L355 HydrophobicContact CG-CD1 4.09Å; M341-L355 HydrophobicContact CG-CD2 4.23Å; M341-A373 HydrophobicContact CE-CB 3.87Å; M341-A373 WeakPolarHBondContact CE-O 3.29Å; M341-V374 HydrophobicContact SD-CB 4.41Å; M341-V374 HydrophobicContact SD-CG2 3.63Å; M341-F393 HydrophobicContact CB-CE1 4.15Å; M341-F393 HydrophobicContact CB-CZ 4.36Å; M341-F393 HydrophobicContact CG-CE1 4.41Å; M341-Y394 HydrophobicContact SD-CD1 4.44Å; M341-Y394 HydrophobicContact SD-CE1 4.21Å; M341-L397 HydrophobicContact CG-CD2 4.1Å; M341-L397 HydrophobicContact SD-CD2 4.16Å |
| 342 | N | 89 | Confident | 93.1 | Very high | 50 Ų | 50 | 30.8 Ų | 30.8 | 27% | 0.267 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -65.5 | -50.5 | 177.8 | -71.4 | -24.4 | 0 | 0 | 0 | 111 | A338 I339 L344 S345 | A338-N342 VanDerWaalsContact O-CG 3.32Å; A338-N342 PolarHBondContact O-N 3.26Å; A338-N342 PolarHBondContact O-ND2 3.01Å; I339-N342 PolarHBondContact O-N 3.07Å; N342-L344 PolarHBondContact O-N 2.94Å; N342-S345 WeakPolarHBondContact O-CB 3.25Å; N342-S345 PolarHBondContact O-N 3.2Å; N342-S345 PolarHBondContact O-OG 3.01Å |
| 343 | N | 87.3 | Confident | 93 | Very high | 32 Ų | 32 | 36 Ų | 36 | 17% | 0.171 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.9 | -27 | -174 | -72.9 | -4.3 | 0 | 0 | 0 | 114 | P76 E77 I339 F346 | P76-N343 WeakPolarHBondContact CD-ND2 3.21Å; E77-N343 PolarHBondContact OE2-ND2 2.87Å; I339-N343 WeakPolarHBondContact O-CB 3.2Å; I339-N343 PolarHBondContact O-N 2.98Å; N343-F346 VanDerWaalsContact O-CE1 3.25Å; N343-F346 WeakPolarHBondContact O-CE1 3.22Å |
| 344 | L | 89.5 | Confident | 92.8 | Very high | 4 Ų | 4 | 37.1 Ų | 37.1 | 2% | 0.021 | 19% | 0.189 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 12.3 | 178.1 | -55.9 | 175.9 | 0 | 0 | 0 | 112.9 | F36 L340 N342 F346 N347 C351 A354 | F36-L344 HydrophobicContact CE2-CD2 4.4Å; L340-L344 HydrophobicContact CD2-CD1 4.14Å; L340-L344 VanDerWaalsContact O-CB 3.29Å; L340-L344 WeakPolarHBondContact O-CB 3.48Å; L340-L344 PolarHBondContact O-N 2.84Å; N342-L344 PolarHBondContact O-N 2.94Å; L344-F346 PolarHBondContact O-N 3.12Å; L344-N347 CarbonylContact O-C 3.25Å; L344-N347 PolarHBondContact O-N 2.95Å; L344-C351 HydrophobicContact CB-CB 3.77Å; L344-A354 HydrophobicContact CD1-CB 3.52Å |
| 345 | S | 89.7 | Confident | 92.7 | Very high | 31 Ų | 31 | 35.8 Ų | 35.8 | 22% | 0.217 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -26.1 | -178.2 | 51.8 | 0 | 0 | 0 | 0 | 115 | M341 N342 F393 | M341-S345 WeakPolarHBondContact O-CA 3.32Å; M341-S345 VanDerWaalsContact O-CB 3.27Å; M341-S345 WeakPolarHBondContact O-CB 3.4Å; M341-S345 PolarHBondContact O-N 3.35Å; M341-S345 VanDerWaalsContact O-N 3.1Å; N342-S345 WeakPolarHBondContact O-CB 3.25Å; N342-S345 PolarHBondContact O-N 3.2Å; N342-S345 PolarHBondContact O-OG 3.01Å; S345-F393 VanDerWaalsContact CA-CE2 3.49Å; S345-F393 VanDerWaalsContact O-CD2 3.25Å; S345-F393 WeakPolarHBondContact O-CD2 3.5Å |
| 346 | F | 86.4 | Confident | 92.7 | Very high | 87 Ų | 87 | 36.4 Ų | 36.4 | 38% | 0.382 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -17.9 | 177.3 | 67.4 | -91.3 | 0 | 0 | 0 | 114.1 | R19 N343 L344 | R19-F346 HydrophobicContact CB-CZ 4.49Å; N343-F346 VanDerWaalsContact O-CE1 3.25Å; N343-F346 WeakPolarHBondContact O-CE1 3.22Å; L344-F346 PolarHBondContact O-N 3.12Å |
| 347 | N | 89.9 | Confident | 92.5 | Very high | 38 Ų | 38 | 35.7 Ų | 35.7 | 20% | 0.203 | 19% | 0.194 | C | C | . | . | trans | -138.3 | 92.4 | -179.4 | -171 | -32.2 | 0 | 0 | 0 | 111.2 | L344 V349 M350 C351 | L344-N347 CarbonylContact O-C 3.25Å; L344-N347 PolarHBondContact O-N 2.95Å; N347-V349 PolarHBondContact O-N 3.35Å; N347-V349 VanDerWaalsContact O-N 3.15Å; N347-V349 PolarHBondContact OD1-N 3.11Å; N347-V349 VanDerWaalsContact OD1-N 3.16Å; N347-M350 HydrophobicContact CB-CB 4.16Å; N347-M350 HydrophobicContact CB-CG 4.22Å; N347-M350 HydrophobicContact CB-SD 4Å; N347-M350 PolarHBondContact ND2-SD 3.45Å; N347-M350 PolarHBondContact O-N 3.34Å; N347-M350 PolarHBondContact OD1-N 3.47Å; N347-M350 VanDerWaalsContact OD1-N 3.13Å; N347-C351 WeakPolarHBondContact O-CB 3.23Å; N347-C351 PolarHBondContact O-N 2.73Å | ||
| 348 | R | 92.2 | Very high | 92.3 | Very high | 113 Ų | 113 | 36.7 Ų | 36.7 | 43% | 0.426 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.7 | -27.8 | -179.1 | 72.7 | -179.5 | -173.8 | -132.4 | -0.7 | 114.6 | A352 S396 Q400 | R348-A352 VanDerWaalsContact O-CB 3.31Å; R348-A352 WeakPolarHBondContact O-CB 3.49Å; R348-A352 PolarHBondContact O-N 2.97Å; R348-S396 WeakPolarHBondContact CD-O 3.3Å; R348-S396 WeakPolarHBondContact CD-OG 3.46Å; R348-Q400 HydrophobicContact CG-CB 4.36Å; R348-Q400 HydrophobicContact CG-CG 4.42Å |
| 349 | V | 94.6 | Very high | 92 | Very high | 53 Ų | 53 | 39.7 Ų | 39.7 | 32% | 0.321 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -73.1 | -46 | 179.6 | -172.2 | 0 | 0 | 0 | 0 | 110.1 | N347 C351 K353 | N347-V349 PolarHBondContact O-N 3.35Å; N347-V349 VanDerWaalsContact O-N 3.15Å; N347-V349 PolarHBondContact OD1-N 3.11Å; N347-V349 VanDerWaalsContact OD1-N 3.16Å; V349-C351 VanDerWaalsContact C-N 3.34Å; V349-K353 HydrophobicContact CG1-CD 4.46Å; V349-K353 WeakPolarHBondContact O-CG 3.32Å; V349-K353 PolarHBondContact O-N 3.43Å; V349-K353 VanDerWaalsContact O-N 3.15Å |
| 350 | M | 91.6 | Very high | 91.8 | Very high | 47 Ų | 47 | 41.3 Ų | 41.3 | 23% | 0.232 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 172.7 | -67.6 | 176.6 | 171.2 | 0 | 0 | 111.2 | D20 F36 N347 K353 A354 | D20-M350 VanDerWaalsContact OD1-CE 3.24Å; D20-M350 WeakPolarHBondContact OD1-CE 3.24Å; F36-M350 HydrophobicContact CE1-CE 4.24Å; F36-M350 HydrophobicContact CE1-SD 4.31Å; F36-M350 HydrophobicContact CZ-CB 4.37Å; F36-M350 HydrophobicContact CZ-CE 4.22Å; F36-M350 HydrophobicContact CZ-CG 4.11Å; F36-M350 HydrophobicContact CZ-SD 3.7Å; N347-M350 HydrophobicContact CB-CB 4.16Å; N347-M350 HydrophobicContact CB-CG 4.22Å; N347-M350 HydrophobicContact CB-SD 4Å; N347-M350 PolarHBondContact ND2-SD 3.45Å; N347-M350 PolarHBondContact O-N 3.34Å; N347-M350 PolarHBondContact OD1-N 3.47Å; N347-M350 VanDerWaalsContact OD1-N 3.13Å; M350-K353 PolarHBondContact O-N 2.94Å; M350-A354 VanDerWaalsContact O-CB 3.31Å; M350-A354 WeakPolarHBondContact O-CB 3.27Å; M350-A354 PolarHBondContact O-N 2.93Å |
| 351 | C | 93.7 | Very high | 91.6 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.9 | -52 | 176 | -169 | 0 | 0 | 0 | 0 | 112 | L344 N347 V349 K353 A354 L355 L397 | L344-C351 HydrophobicContact CB-CB 3.77Å; N347-C351 WeakPolarHBondContact O-CB 3.23Å; N347-C351 PolarHBondContact O-N 2.73Å; V349-C351 VanDerWaalsContact C-N 3.34Å; C351-K353 VanDerWaalsContact C-N 3.32Å; C351-K353 PolarHBondContact O-N 3.08Å; C351-A354 PolarHBondContact O-N 3.16Å; C351-L355 WeakPolarHBondContact O-CG 3.35Å; C351-L355 PolarHBondContact O-N 3.13Å; C351-L397 HydrophobicContact CB-CD1 4.01Å |
| 352 | A | 96.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -57.4 | -44.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112 | R348 L355 L356 L397 Q400 L401 E404 | R348-A352 VanDerWaalsContact O-CB 3.31Å; R348-A352 WeakPolarHBondContact O-CB 3.49Å; R348-A352 PolarHBondContact O-N 2.97Å; A352-L355 PolarHBondContact O-N 3.31Å; A352-L356 WeakPolarHBondContact O-CB 3.38Å; A352-L356 WeakPolarHBondContact O-CG 3.42Å; A352-L356 PolarHBondContact O-N 3.19Å; A352-L397 HydrophobicContact CB-CD1 4.02Å; A352-Q400 HydrophobicContact CB-CB 4.15Å; A352-Q400 HydrophobicContact CB-CG 3.66Å; A352-L401 HydrophobicContact CB-CD2 3.83Å; A352-L401 HydrophobicContact CB-CG 4.11Å; A352-E404 HydrophobicContact CB-CG 4.01Å |
| 353 | K | 94.2 | Very high | 91.4 | Very high | 118 Ų | 118 | 50.8 Ų | 50.8 | 51% | 0.513 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -67.9 | -36.2 | 178.2 | -70.2 | -178.6 | -180 | -173.9 | 0 | 113.3 | V349 M350 C351 G357 E404 | V349-K353 HydrophobicContact CG1-CD 4.46Å; V349-K353 WeakPolarHBondContact O-CG 3.32Å; V349-K353 PolarHBondContact O-N 3.43Å; V349-K353 VanDerWaalsContact O-N 3.15Å; M350-K353 PolarHBondContact O-N 2.94Å; C351-K353 VanDerWaalsContact C-N 3.32Å; C351-K353 PolarHBondContact O-N 3.08Å; K353-G357 WeakPolarHBondContact O-CA 3.47Å; K353-G357 PolarHBondContact O-N 3.43Å; K353-E404 WeakPolarHBondContact CE-OE1 3.27Å; K353-E404 WeakPolarHBondContact CE-OE2 3.36Å; K353-E404 HydrophobicContact CG-CG 4.47Å; K353-E404 IonicContact NZ-OE1 3.21Å; K353-E404 IonicContact NZ-OE2 3.06Å; K353-E404 PolarHBondContact NZ-OE2 3.24Å |
| 354 | A | 93.2 | Very high | 91.7 | Very high | 29 Ų | 29 | 50 Ų | 50 | 24% | 0.24 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -72.3 | -35.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L340 L344 M350 C351 L358 | L340-A354 HydrophobicContact CD2-CB 4.01Å; L344-A354 HydrophobicContact CD1-CB 3.52Å; M350-A354 VanDerWaalsContact O-CB 3.31Å; M350-A354 WeakPolarHBondContact O-CB 3.27Å; M350-A354 PolarHBondContact O-N 2.93Å; C351-A354 PolarHBondContact O-N 3.16Å; A354-L358 PolarHBondContact O-N 3.35Å |
| 355 | L | 95.9 | Very high | 92 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.3 | -51.2 | 175.2 | -66.1 | 167.2 | 0 | 0 | 0 | 111.1 | L337 L340 M341 C351 A352 G357 L358 I370 L397 | L337-L355 HydrophobicContact CB-CD2 4.21Å; L337-L355 HydrophobicContact CD2-CD2 3.51Å; L337-L355 HydrophobicContact CG-CD2 4.46Å; L340-L355 HydrophobicContact CB-CD2 3.85Å; L340-L355 HydrophobicContact CD1-CD2 4.13Å; M341-L355 HydrophobicContact CG-CD1 4.09Å; M341-L355 HydrophobicContact CG-CD2 4.23Å; C351-L355 WeakPolarHBondContact O-CG 3.35Å; C351-L355 PolarHBondContact O-N 3.13Å; A352-L355 PolarHBondContact O-N 3.31Å; L355-G357 VanDerWaalsContact C-N 3.3Å; L355-G357 PolarHBondContact O-N 3.42Å; L355-L358 WeakPolarHBondContact O-CB 3.47Å; L355-L358 PolarHBondContact O-N 3.44Å; L355-I370 HydrophobicContact CB-CD1 4.06Å; L355-I370 HydrophobicContact CB-CG1 4.24Å; L355-I370 HydrophobicContact CB-CG2 4.46Å; L355-I370 HydrophobicContact CD1-CG2 4.44Å; L355-L397 HydrophobicContact CD1-CD1 4.27Å; L355-L397 HydrophobicContact CD1-CD2 4Å |
| 356 | L | 95 | Very high | 92.2 | Very high | 46 Ų | 46 | 50 Ų | 50 | 24% | 0.241 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.4 | -29.1 | 177.6 | -68.3 | 167.4 | 0 | 0 | 0 | 112.8 | A352 L358 I370 L401 E404 A405 I409 | A352-L356 WeakPolarHBondContact O-CB 3.38Å; A352-L356 WeakPolarHBondContact O-CG 3.42Å; A352-L356 PolarHBondContact O-N 3.19Å; L356-L358 VanDerWaalsContact C-N 3.32Å; L356-I370 HydrophobicContact CD2-CD1 3.85Å; L356-I370 HydrophobicContact CG-CD1 4.32Å; L356-L401 HydrophobicContact CD1-CD2 3.92Å; L356-L401 HydrophobicContact CD2-CD2 4.33Å; L356-L401 HydrophobicContact CG-CD2 3.84Å; L356-E404 HydrophobicContact CD1-CB 3.56Å; L356-E404 HydrophobicContact CD1-CG 4.5Å; L356-A405 HydrophobicContact CD1-CB 3.93Å; L356-A405 HydrophobicContact CD2-CB 4.01Å; L356-I409 HydrophobicContact CD2-CD1 4.38Å; L356-I409 HydrophobicContact CD2-CG1 4.3Å |
| 357 | G | 91.7 | Very high | 92.7 | Very high | 43 Ų | 43 | 47.5 Ų | 47.5 | 44% | 0.443 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85 | 7.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | K353 L355 K359 | K353-G357 WeakPolarHBondContact O-CA 3.47Å; K353-G357 PolarHBondContact O-N 3.43Å; L355-G357 VanDerWaalsContact C-N 3.3Å; L355-G357 PolarHBondContact O-N 3.42Å; G357-K359 PolarHBondContact O-N 2.88Å; G357-K359 VanDerWaalsContact O-N 3.12Å |
| 358 | L | 92.2 | Very high | 93.1 | Very high | 21 Ų | 21 | 46.2 Ų | 46.2 | 11% | 0.11 | 24% | 0.236 | C | C | . | . | trans | -63.9 | 110.7 | -175.8 | 177.6 | 58.4 | 0 | 0 | 0 | 111.8 | I333 H336 L337 A354 L355 L356 T360 L366 | I333-L358 HydrophobicContact CG2-CD2 4.1Å; H336-L358 WeakPolarHBondContact ND1-CD1 3.42Å; L337-L358 HydrophobicContact CD2-CD2 3.76Å; L337-L358 HydrophobicContact CG-CD2 4.27Å; A354-L358 PolarHBondContact O-N 3.35Å; L355-L358 WeakPolarHBondContact O-CB 3.47Å; L355-L358 PolarHBondContact O-N 3.44Å; L356-L358 VanDerWaalsContact C-N 3.32Å; L358-T360 PolarHBondContact O-N 2.95Å; L358-L366 HydrophobicContact CB-CD1 4.47Å; L358-L366 HydrophobicContact CB-CD2 4.3Å; L358-L366 HydrophobicContact CD2-CD1 4.14Å | ||
| 359 | K | 88 | Confident | 93.3 | Very high | 94 Ų | 94 | 40.9 Ų | 40.9 | 41% | 0.409 | 22% | 0.216 | S | C | . | . | trans | -76.3 | 112.8 | 176.3 | -73 | -166.8 | 169.3 | -168.1 | 0 | 112 | L39 W247 G357 | L39-K359 HydrophobicContact CB-CD 4.04Å; L39-K359 HydrophobicContact CD1-CD 4.13Å; L39-K359 HydrophobicContact CD1-CG 4.21Å; L39-K359 PolarHBondContact O-NZ 3.28Å; W247-K359 HydrophobicContact CD2-CB 4.39Å; W247-K359 HydrophobicContact CE3-CB 4.49Å; W247-K359 HydrophobicContact CZ2-CD 4.43Å; G357-K359 PolarHBondContact O-N 2.88Å; G357-K359 VanDerWaalsContact O-N 3.12Å | ||
| 360 | T | 88.9 | Confident | 93.5 | Very high | 42 Ų | 42 | 38.4 Ų | 38.4 | 26% | 0.258 | 20% | 0.201 | S | C | . | . | trans | -107.8 | 150.5 | 165.8 | 56.3 | 0 | 0 | 0 | 0 | 111.2 | V245 I333 L358 A362 V364 | V245-T360 HydrophobicContact CB-CG2 4.43Å; V245-T360 CarbonylContact O-C 3.41Å; V245-T360 WeakPolarHBondContact O-CA 3.19Å; I333-T360 HydrophobicContact CD1-CG2 4.16Å; I333-T360 HydrophobicContact CG1-CG2 4.22Å; L358-T360 PolarHBondContact O-N 2.95Å; T360-A362 WeakPolarHBondContact CB-O 3.29Å; T360-A362 PolarHBondContact OG1-O 3.14Å; T360-V364 HydrophobicContact CG2-CG2 4.29Å | ||
| 361 | R | 90.4 | Very high | 93.8 | Very high | 114 Ų | 114 | 36.1 Ų | 36.1 | 43% | 0.43 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -77.1 | -29.9 | 177.7 | 167.1 | 169.9 | 41.7 | 102.4 | 12.4 | 113.2 | E243 K244 V245 T246 | E243-R361 PolarHBondContact O-NH1 3.5Å; E243-R361 PolarHBondContact O-NH2 3.23Å; E243-R361 IonicContact OE1-CZ 2.67Å; E243-R361 IonicContact OE1-NH2 2.72Å; E243-R361 PolarHBondContact OE1-NH2 2.98Å; E243-R361 IonicContact OE2-NH2 3.5Å; E243-R361 PolarHBondContact OE2-NH2 2.92Å; K244-R361 WeakPolarHBondContact O-CB 3.26Å; V245-R361 PolarHBondContact O-N 3.47Å; T246-R361 PolarHBondContact O-NE 2.97Å; T246-R361 PolarHBondContact O-NH2 2.94Å |
| 362 | A | 89.7 | Confident | 94.1 | Very high | 32 Ų | 32 | 36.2 Ų | 36.2 | 26% | 0.264 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -102.1 | 150 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | K244 V245 T360 | K244-A362 HydrophobicContact CB-CB 4.16Å; K244-A362 PolarHBondContact O-N 3.03Å; V245-A362 HydrophobicContact CG1-CB 4.33Å; T360-A362 WeakPolarHBondContact CB-O 3.29Å; T360-A362 PolarHBondContact OG1-O 3.14Å |
| 363 | K | 89.5 | Confident | 94.1 | Very high | 121 Ų | 121 | 36.7 Ų | 36.7 | 53% | 0.526 | 19% | 0.194 | S | C | . | . | trans | -70.2 | 134.2 | 169.4 | -69.6 | -177.6 | -179.9 | -176.1 | 0 | 110.1 | E318 | E318-K363 VanDerWaalsContact O-CD 3.23Å; E318-K363 WeakPolarHBondContact O-CD 3.18Å; E318-K363 PolarHBondContact O-NZ 3.08Å | ||
| 364 | V | 93.1 | Very high | 94.3 | Very high | 17 Ų | 17 | 31.1 Ų | 31.1 | 10% | 0.103 | 17% | 0.17 | C | C | . | . | B | Isolated β-bridge | trans | -136.9 | 157.3 | 178.8 | -65.8 | 0 | 0 | 0 | 0 | 110.2 | V245 P320 V321 P323 I333 T360 L366 M369 | V245-V364 HydrophobicContact CG1-CG1 3.99Å; P320-V364 WeakPolarHBondContact CB-O 3.33Å; V321-V364 VanDerWaalsContact O-CA 3.31Å; V321-V364 WeakPolarHBondContact O-CA 3.4Å; P323-V364 HydrophobicContact CG-CB 4.48Å; P323-V364 HydrophobicContact CG-CG1 3.83Å; I333-V364 HydrophobicContact CD1-CB 4.36Å; I333-V364 HydrophobicContact CD1-CG1 3.96Å; I333-V364 HydrophobicContact CD1-CG2 3.99Å; T360-V364 HydrophobicContact CG2-CG2 4.29Å; V364-L366 HydrophobicContact CG2-CB 4.33Å; V364-L366 PolarHBondContact O-N 3.29Å; V364-M369 HydrophobicContact CB-SD 4.36Å; V364-M369 HydrophobicContact CG2-SD 4.39Å |
| 365 | A | 94.8 | Very high | 94.5 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 7% | 0.066 | 16% | 0.158 | C | C | . | . | trans | -71.9 | 61.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | V294 V321 L322 D367 Y368 M369 | V294-A365 HydrophobicContact CG1-CB 4.16Å; V294-A365 HydrophobicContact CG2-CB 3.79Å; V321-A365 PolarHBondContact O-N 2.84Å; V321-A365 VanDerWaalsContact O-N 3.08Å; L322-A365 HydrophobicContact CB-CB 4.13Å; L322-A365 HydrophobicContact CD1-CB 4.16Å; A365-D367 VanDerWaalsContact C-N 3.33Å; A365-D367 PolarHBondContact O-N 2.79Å; A365-Y368 HydrophobicContact CB-CD2 4.33Å; A365-Y368 WeakPolarHBondContact O-CB 3.2Å; A365-Y368 PolarHBondContact O-N 3.44Å; A365-M369 PolarHBondContact O-N 3.46Å | ||
| 366 | L | 95.4 | Very high | 94.6 | Very high | 27 Ų | 27 | 31 Ų | 31 | 14% | 0.141 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -55 | -41.3 | -166.8 | -178.5 | 59.9 | 0 | 0 | 0 | 113.4 | L337 L358 V364 Y368 M369 I370 | L337-L366 HydrophobicContact CD2-CD1 4.47Å; L358-L366 HydrophobicContact CB-CD1 4.47Å; L358-L366 HydrophobicContact CB-CD2 4.3Å; L358-L366 HydrophobicContact CD2-CD1 4.14Å; V364-L366 HydrophobicContact CG2-CB 4.33Å; V364-L366 PolarHBondContact O-N 3.29Å; L366-Y368 VanDerWaalsContact C-N 3.29Å; L366-Y368 PolarHBondContact O-N 3.2Å; L366-M369 CarbonylContact O-C 3.59Å; L366-M369 WeakPolarHBondContact O-CA 3.47Å; L366-M369 WeakPolarHBondContact O-CB 3.42Å; L366-M369 PolarHBondContact O-N 3.37Å; L366-I370 HydrophobicContact CD1-CD1 4.2Å; L366-I370 HydrophobicContact CD1-CG1 4.11Å; L366-I370 HydrophobicContact CD2-CD1 4.36Å; L366-I370 HydrophobicContact CG-CD1 3.81Å; L366-I370 HydrophobicContact CG-CG1 4.2Å; L366-I370 WeakPolarHBondContact O-CG1 3.46Å; L366-I370 PolarHBondContact O-N 3.26Å |
| 367 | D | 96.3 | Very high | 94.6 | Very high | 34 Ų | 34 | 29.2 Ų | 29.2 | 18% | 0.182 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.3 | -39.3 | 179 | -67.4 | 1.3 | 0 | 0 | 0 | 112.7 | A365 M369 I371 T408 I409 V412 | A365-D367 VanDerWaalsContact C-N 3.33Å; A365-D367 PolarHBondContact O-N 2.79Å; D367-M369 VanDerWaalsContact C-N 3.35Å; D367-I371 WeakPolarHBondContact O-CG1 3.18Å; D367-I371 PolarHBondContact O-N 3.26Å; D367-T408 WeakPolarHBondContact OD2-CB 3.4Å; D367-T408 PolarHBondContact OD2-OG1 2.85Å; D367-I409 HydrophobicContact CB-CD1 3.89Å; D367-V412 HydrophobicContact CB-CG2 4.09Å |
| 368 | Y | 97.5 | Very high | 94.8 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 4% | 0.043 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.9 | -38.1 | 174.9 | -76.4 | -97.5 | 0 | 0 | 0 | 111.4 | F289 D293 V294 I295 A365 L366 E372 V412 Q415 | F289-Y368 HydrophobicContact CD1-CD1 4.37Å; F289-Y368 AromaticContact CD2-CD1 3.79Å; F289-Y368 HydrophobicContact CD2-CD1 3.79Å; F289-Y368 HydrophobicContact CD2-CG 4.48Å; F289-Y368 HydrophobicContact CE1-CD1 4.33Å; F289-Y368 AromaticContact CE2-CD1 3.75Å; F289-Y368 HydrophobicContact CE2-CD1 3.75Å; F289-Y368 HydrophobicContact CG-CD1 4.1Å; F289-Y368 HydrophobicContact CZ-CD1 4.01Å; F289-Y368 HydrophobicContact CZ-CE1 4.36Å; D293-Y368 HydrophobicContact CB-CD1 4.4Å; D293-Y368 HydrophobicContact CB-CE1 4.17Å; D293-Y368 VanDerWaalsContact O-CE1 3.28Å; D293-Y368 WeakPolarHBondContact O-CE1 3.35Å; D293-Y368 PolarHBondContact O-OH 2.91Å; D293-Y368 VanDerWaalsContact O-OH 3.11Å; V294-Y368 HydrophobicContact CG1-CE2 4.32Å; V294-Y368 HydrophobicContact CG2-CD2 4.49Å; I295-Y368 WeakPolarHBondContact CG1-OH 3.49Å; I295-Y368 PolarHBondContact N-OH 3.46Å; A365-Y368 HydrophobicContact CB-CD2 4.33Å; A365-Y368 WeakPolarHBondContact O-CB 3.2Å; A365-Y368 PolarHBondContact O-N 3.44Å; L366-Y368 VanDerWaalsContact C-N 3.29Å; L366-Y368 PolarHBondContact O-N 3.2Å; Y368-E372 VanDerWaalsContact O-CB 3.29Å; Y368-E372 WeakPolarHBondContact O-CB 3.39Å; Y368-E372 PolarHBondContact O-N 3.29Å; Y368-V412 HydrophobicContact CD1-CG1 3.84Å; Y368-V412 HydrophobicContact CD2-CG1 4.16Å; Y368-V412 HydrophobicContact CD2-CG2 3.98Å; Y368-V412 HydrophobicContact CE1-CG1 3.98Å; Y368-V412 HydrophobicContact CE1-CG2 4.46Å; Y368-V412 HydrophobicContact CE2-CG1 4.29Å; Y368-V412 HydrophobicContact CE2-CG2 3.58Å; Y368-V412 HydrophobicContact CG-CG1 3.91Å; Y368-Q415 PolarHBondContact OH-OE1 2.92Å |
| 369 | M | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -69 | -40.7 | 177.3 | -55.3 | -167.7 | 69.2 | 0 | 0 | 112 | L322 P323 I333 D334 L337 V364 A365 L366 D367 A373 | L322-M369 HydrophobicContact CD1-CG 3.39Å; L322-M369 HydrophobicContact CD1-SD 4.1Å; P323-M369 HydrophobicContact CG-SD 4.45Å; I333-M369 HydrophobicContact CB-CE 3.55Å; I333-M369 HydrophobicContact CB-SD 4.29Å; I333-M369 HydrophobicContact CD1-CE 3.97Å; I333-M369 HydrophobicContact CD1-SD 3.85Å; I333-M369 HydrophobicContact CG1-CE 4.38Å; I333-M369 HydrophobicContact CG2-CB 4.44Å; I333-M369 HydrophobicContact CG2-CE 3.49Å; I333-M369 VanDerWaalsContact CG2-CE 3.49Å; I333-M369 HydrophobicContact CG2-SD 3.86Å; D334-M369 WeakPolarHBondContact OD1-CE 3.35Å; L337-M369 HydrophobicContact CD1-CB 3.89Å; V364-M369 HydrophobicContact CB-SD 4.36Å; V364-M369 HydrophobicContact CG2-SD 4.39Å; A365-M369 PolarHBondContact O-N 3.46Å; L366-M369 CarbonylContact O-C 3.59Å; L366-M369 WeakPolarHBondContact O-CA 3.47Å; L366-M369 WeakPolarHBondContact O-CB 3.42Å; L366-M369 PolarHBondContact O-N 3.37Å; D367-M369 VanDerWaalsContact C-N 3.35Å; M369-A373 WeakPolarHBondContact O-CB 3.39Å; M369-A373 PolarHBondContact O-N 2.79Å |
| 370 | I | 98.3 | Very high | 95.5 | Very high | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -49.4 | 175.1 | -68.4 | 169.5 | 0 | 0 | 0 | 110.3 | L337 L355 L356 L366 A373 V374 L401 | L337-I370 HydrophobicContact CD1-CG1 4.48Å; L337-I370 HydrophobicContact CD2-CG1 4Å; L355-I370 HydrophobicContact CB-CD1 4.06Å; L355-I370 HydrophobicContact CB-CG1 4.24Å; L355-I370 HydrophobicContact CB-CG2 4.46Å; L355-I370 HydrophobicContact CD1-CG2 4.44Å; L356-I370 HydrophobicContact CD2-CD1 3.85Å; L356-I370 HydrophobicContact CG-CD1 4.32Å; L366-I370 HydrophobicContact CD1-CD1 4.2Å; L366-I370 HydrophobicContact CD1-CG1 4.11Å; L366-I370 HydrophobicContact CD2-CD1 4.36Å; L366-I370 HydrophobicContact CG-CD1 3.81Å; L366-I370 HydrophobicContact CG-CG1 4.2Å; L366-I370 WeakPolarHBondContact O-CG1 3.46Å; L366-I370 PolarHBondContact O-N 3.26Å; I370-A373 PolarHBondContact O-N 3.43Å; I370-V374 VanDerWaalsContact O-CG2 3.28Å; I370-V374 WeakPolarHBondContact O-CG2 3.49Å; I370-V374 PolarHBondContact O-N 2.81Å; I370-L401 HydrophobicContact CG2-CD1 3.62Å; I370-L401 HydrophobicContact CG2-CD2 4.09Å |
| 371 | I | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | -179.1 | -67.8 | -57 | 0 | 0 | 0 | 111.5 | F289 D367 V374 F375 L398 I409 V412 L413 A416 | F289-I371 HydrophobicContact CE2-CG2 4.32Å; D367-I371 WeakPolarHBondContact O-CG1 3.18Å; D367-I371 PolarHBondContact O-N 3.26Å; I371-V374 PolarHBondContact O-N 2.78Å; I371-F375 HydrophobicContact CG2-CD2 3.85Å; I371-F375 HydrophobicContact CG2-CE2 3.66Å; I371-F375 WeakPolarHBondContact O-CD2 3.43Å; I371-F375 PolarHBondContact O-N 3.33Å; I371-F375 VanDerWaalsContact O-N 3.1Å; I371-L398 HydrophobicContact CD1-CD2 3.45Å; I371-L398 VanDerWaalsContact CD1-CD2 3.45Å; I371-I409 HydrophobicContact CD1-CD1 4.29Å; I371-I409 HydrophobicContact CD1-CG2 4.17Å; I371-I409 HydrophobicContact CG1-CD1 4.16Å; I371-V412 HydrophobicContact CB-CG1 3.98Å; I371-V412 HydrophobicContact CG1-CB 4.35Å; I371-V412 HydrophobicContact CG1-CG1 3.84Å; I371-V412 HydrophobicContact CG2-CG1 4.3Å; I371-L413 HydrophobicContact CD1-CB 4.36Å; I371-L413 HydrophobicContact CD1-CD1 4.38Å; I371-L413 HydrophobicContact CG2-CD1 4.34Å; I371-A416 HydrophobicContact CG2-CB 3.67Å |
| 372 | E | 98.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 18 Ų | 18 | 1% | 0.009 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63.6 | -43.7 | 174.4 | -177.4 | 173.2 | -108.1 | 0 | 0 | 112.2 | F286 R287 M288 F289 R330 Y368 V374 F375 A376 | F286-E372 HydrophobicContact CD1-CG 3.87Å; F286-E372 HydrophobicContact CE1-CG 3.9Å; R287-E372 IonicContact CZ-OE2 2.86Å; R287-E372 IonicContact NH1-OE2 2.67Å; R287-E372 PolarHBondContact NH1-OE2 3.34Å; M288-E372 HydrophobicContact CG-CB 4.39Å; M288-E372 HydrophobicContact CG-CG 4Å; M288-E372 PolarHBondContact N-OE1 3.24Å; F289-E372 HydrophobicContact CD2-CB 4.03Å; F289-E372 PolarHBondContact N-OE1 3.36Å; R330-E372 IonicContact CZ-OE2 2.94Å; R330-E372 IonicContact NE-OE2 2.64Å; R330-E372 IonicContact NH2-OE1 2.67Å; R330-E372 PolarHBondContact NH2-OE1 3.04Å; R330-E372 IonicContact NH2-OE2 3.85Å; R330-E372 PolarHBondContact NH2-OE2 3.29Å; Y368-E372 VanDerWaalsContact O-CB 3.29Å; Y368-E372 WeakPolarHBondContact O-CB 3.39Å; Y368-E372 PolarHBondContact O-N 3.29Å; E372-V374 VanDerWaalsContact C-N 3.34Å; E372-V374 PolarHBondContact O-N 2.94Å; E372-F375 CarbonylContact O-C 3.57Å; E372-F375 PolarHBondContact O-N 2.79Å; E372-A376 WeakPolarHBondContact O-CB 3.17Å; E372-A376 PolarHBondContact O-N 3.16Å |
| 373 | A | 97.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 8% | 0.083 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -63.8 | -38.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L337 M341 M369 I370 A376 G377 | L337-A373 HydrophobicContact CB-CB 3.95Å; L337-A373 HydrophobicContact CD1-CB 3.97Å; M341-A373 HydrophobicContact CE-CB 3.87Å; M341-A373 WeakPolarHBondContact CE-O 3.29Å; M369-A373 WeakPolarHBondContact O-CB 3.39Å; M369-A373 PolarHBondContact O-N 2.79Å; I370-A373 PolarHBondContact O-N 3.43Å; A373-A376 WeakPolarHBondContact O-CB 3.39Å; A373-A376 PolarHBondContact O-N 3.29Å; A373-G377 PolarHBondContact O-N 3.27Å |
| 374 | V | 97.8 | Very high | 95.9 | Very high | 1 Ų | 1 | 15.4 Ų | 15.4 | 1% | 0.006 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -64.2 | -40.7 | 174.4 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | M341 I370 I371 E372 M378 Y394 L397 L398 L401 | M341-V374 HydrophobicContact SD-CB 4.41Å; M341-V374 HydrophobicContact SD-CG2 3.63Å; I370-V374 VanDerWaalsContact O-CG2 3.28Å; I370-V374 WeakPolarHBondContact O-CG2 3.49Å; I370-V374 PolarHBondContact O-N 2.81Å; I371-V374 PolarHBondContact O-N 2.78Å; E372-V374 VanDerWaalsContact C-N 3.34Å; E372-V374 PolarHBondContact O-N 2.94Å; V374-M378 WeakPolarHBondContact O-CB 3.48Å; V374-M378 PolarHBondContact O-N 2.99Å; V374-Y394 HydrophobicContact CG1-CD1 4.13Å; V374-L397 HydrophobicContact CG2-CD2 3.91Å; V374-L398 HydrophobicContact CB-CD2 4.25Å; V374-L398 HydrophobicContact CG1-CD1 3.94Å; V374-L398 HydrophobicContact CG1-CD2 3.71Å; V374-L398 HydrophobicContact CG1-CG 3.69Å; V374-L401 HydrophobicContact CG2-CD1 4.38Å |
| 375 | F | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -70.8 | -35.2 | 173 | -74.9 | -55.7 | 0 | 0 | 0 | 113.2 | F286 M288 I371 E372 G377 M378 F379 L398 L413 A416 L420 W438 | F286-F375 HydrophobicContact CE1-CB 3.71Å; F286-F375 HydrophobicContact CZ-CB 3.77Å; M288-F375 HydrophobicContact SD-CB 4.33Å; M288-F375 HydrophobicContact SD-CD2 3.98Å; M288-F375 HydrophobicContact SD-CG 4.47Å; I371-F375 HydrophobicContact CG2-CD2 3.85Å; I371-F375 HydrophobicContact CG2-CE2 3.66Å; I371-F375 WeakPolarHBondContact O-CD2 3.43Å; I371-F375 PolarHBondContact O-N 3.33Å; I371-F375 VanDerWaalsContact O-N 3.1Å; E372-F375 CarbonylContact O-C 3.57Å; E372-F375 PolarHBondContact O-N 2.79Å; F375-G377 PolarHBondContact O-N 2.8Å; F375-M378 HydrophobicContact CD1-CE 3.96Å; F375-M378 HydrophobicContact CD1-SD 4.18Å; F375-M378 HydrophobicContact CE1-CE 3.88Å; F375-M378 HydrophobicContact CE1-SD 4.3Å; F375-M378 PolarHBondContact O-N 3.46Å; F375-F379 HydrophobicContact CB-CD2 3.97Å; F375-F379 HydrophobicContact CB-CE2 3.9Å; F375-F379 HydrophobicContact CD1-CD2 4.27Å; F375-F379 AromaticContact CD1-CE2 3.47Å; F375-F379 HydrophobicContact CD1-CE2 3.47Å; F375-F379 VanDerWaalsContact CD1-CE2 3.47Å; F375-F379 AromaticContact CD1-CZ 3.95Å; F375-F379 HydrophobicContact CD1-CZ 3.95Å; F375-F379 HydrophobicContact CE1-CE2 4.34Å; F375-F379 HydrophobicContact CE1-CZ 4.47Å; F375-F379 AromaticContact CG-CE2 3.97Å; F375-F379 HydrophobicContact CG-CE2 3.97Å; F375-F379 WeakPolarHBondContact O-CB 3.42Å; F375-F379 WeakPolarHBondContact O-CD2 3.46Å; F375-F379 WeakPolarHBondContact O-CG 3.33Å; F375-F379 PolarHBondContact O-N 3.23Å; F375-L398 HydrophobicContact CE1-CD1 4.32Å; F375-L398 HydrophobicContact CZ-CD1 4.21Å; F375-L413 HydrophobicContact CE2-CD1 3.75Å; F375-L413 HydrophobicContact CZ-CD1 3.65Å; F375-A416 HydrophobicContact CD2-CB 4.25Å; F375-A416 HydrophobicContact CE2-CB 3.63Å; F375-L420 HydrophobicContact CD1-CD1 3.9Å; F375-L420 HydrophobicContact CD2-CD1 4.3Å; F375-L420 HydrophobicContact CE1-CD1 3.7Å; F375-L420 HydrophobicContact CE2-CD1 4.1Å; F375-L420 HydrophobicContact CG-CD1 4.22Å; F375-L420 HydrophobicContact CZ-CD1 3.8Å; F375-W438 AromaticContact CE1-CD2 3.94Å; F375-W438 HydrophobicContact CE1-CD2 3.94Å; F375-W438 AromaticContact CE1-CE3 3.6Å; F375-W438 HydrophobicContact CE1-CE3 3.6Å; F375-W438 AromaticContact CE1-CH2 3.91Å; F375-W438 HydrophobicContact CE1-CH2 3.91Å; F375-W438 HydrophobicContact CE1-CZ2 4.21Å; F375-W438 AromaticContact CE1-CZ3 3.56Å; F375-W438 HydrophobicContact CE1-CZ3 3.56Å; F375-W438 HydrophobicContact CZ-CD2 4.41Å; F375-W438 HydrophobicContact CZ-CE3 4.12Å; F375-W438 AromaticContact CZ-CH2 3.52Å; F375-W438 HydrophobicContact CZ-CH2 3.52Å; F375-W438 AromaticContact CZ-CZ2 3.83Å; F375-W438 HydrophobicContact CZ-CZ2 3.83Å; F375-W438 AromaticContact CZ-CZ3 3.65Å; F375-W438 HydrophobicContact CZ-CZ3 3.65Å |
| 376 | A | 97.5 | Very high | 94.7 | Very high | 28 Ų | 28 | 17.6 Ų | 17.6 | 23% | 0.231 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -57.5 | -49.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F286 E372 A373 F379 H380 | F286-A376 HydrophobicContact CB-CB 3.63Å; F286-A376 HydrophobicContact CD1-CB 3.63Å; F286-A376 HydrophobicContact CG-CB 3.88Å; E372-A376 WeakPolarHBondContact O-CB 3.17Å; E372-A376 PolarHBondContact O-N 3.16Å; A373-A376 WeakPolarHBondContact O-CB 3.39Å; A373-A376 PolarHBondContact O-N 3.29Å; A376-F379 PolarHBondContact O-N 3.35Å; A376-H380 WeakPolarHBondContact O-CA 3.38Å; A376-H380 WeakPolarHBondContact O-CB 3.37Å; A376-H380 PolarHBondContact O-N 3.36Å |
| 377 | G | 95.9 | Very high | 93.2 | Very high | 7 Ų | 7 | 19.5 Ų | 19.5 | 7% | 0.072 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -61.5 | -43.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | A373 F375 P384 P385 | A373-G377 PolarHBondContact O-N 3.27Å; F375-G377 PolarHBondContact O-N 2.8Å; G377-P384 WeakPolarHBondContact O-CA 3.28Å; G377-P384 WeakPolarHBondContact O-CB 3.4Å; G377-P385 WeakPolarHBondContact O-CD 3.42Å |
| 378 | M | 96.1 | Very high | 91.4 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.7 | -43 | 178.8 | -167.9 | -170.5 | -58.5 | 0 | 0 | 112.7 | V374 F375 L391 Y394 L398 R434 W438 | V374-M378 WeakPolarHBondContact O-CB 3.48Å; V374-M378 PolarHBondContact O-N 2.99Å; F375-M378 HydrophobicContact CD1-CE 3.96Å; F375-M378 HydrophobicContact CD1-SD 4.18Å; F375-M378 HydrophobicContact CE1-CE 3.88Å; F375-M378 HydrophobicContact CE1-SD 4.3Å; F375-M378 PolarHBondContact O-N 3.46Å; M378-L391 HydrophobicContact CG-CD2 3.97Å; M378-Y394 HydrophobicContact CB-CD2 4.34Å; M378-Y394 HydrophobicContact CB-CG 4.3Å; M378-L398 HydrophobicContact CE-CD1 4.1Å; M378-R434 WeakPolarHBondContact O-CD 3.27Å; M378-R434 PolarHBondContact O-NH1 3.25Å; M378-W438 HydrophobicContact CE-CB 3.77Å; M378-W438 HydrophobicContact CE-CD2 4.06Å; M378-W438 HydrophobicContact CE-CG 3.58Å; M378-W438 HydrophobicContact SD-CB 3.6Å; M378-W438 VanDerWaalsContact SD-CB 3.6Å; M378-W438 HydrophobicContact SD-CD2 4.39Å; M378-W438 HydrophobicContact SD-CG 3.97Å |
| 379 | F | 97.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -93.4 | -4.8 | -175.7 | -58.5 | -50.6 | 0 | 0 | 0 | 114.3 | V213 F286 F375 A376 L381 L420 C431 R434 F435 | V213-F379 HydrophobicContact CG1-CB 4.22Å; V213-F379 HydrophobicContact CG2-CB 3.76Å; F286-F379 HydrophobicContact CE2-CB 4.42Å; F286-F379 AromaticContact CE2-CD2 3.76Å; F286-F379 HydrophobicContact CE2-CD2 3.76Å; F286-F379 AromaticContact CZ-CD2 3.93Å; F286-F379 HydrophobicContact CZ-CD2 3.93Å; F286-F379 HydrophobicContact CZ-CE2 4.47Å; F375-F379 HydrophobicContact CB-CD2 3.97Å; F375-F379 HydrophobicContact CB-CE2 3.9Å; F375-F379 HydrophobicContact CD1-CD2 4.27Å; F375-F379 AromaticContact CD1-CE2 3.47Å; F375-F379 HydrophobicContact CD1-CE2 3.47Å; F375-F379 VanDerWaalsContact CD1-CE2 3.47Å; F375-F379 AromaticContact CD1-CZ 3.95Å; F375-F379 HydrophobicContact CD1-CZ 3.95Å; F375-F379 HydrophobicContact CE1-CE2 4.34Å; F375-F379 HydrophobicContact CE1-CZ 4.47Å; F375-F379 AromaticContact CG-CE2 3.97Å; F375-F379 HydrophobicContact CG-CE2 3.97Å; F375-F379 WeakPolarHBondContact O-CB 3.42Å; F375-F379 WeakPolarHBondContact O-CD2 3.46Å; F375-F379 WeakPolarHBondContact O-CG 3.33Å; F375-F379 PolarHBondContact O-N 3.23Å; A376-F379 PolarHBondContact O-N 3.35Å; F379-L381 WeakPolarHBondContact O-CD2 3.36Å; F379-L381 WeakPolarHBondContact O-CG 3.12Å; F379-L381 PolarHBondContact O-N 3.1Å; F379-L420 HydrophobicContact CE2-CD1 3.93Å; F379-L420 HydrophobicContact CE2-CD2 3.75Å; F379-L420 HydrophobicContact CZ-CD1 4.12Å; F379-L420 HydrophobicContact CZ-CD2 4.41Å; F379-C431 HydrophobicContact CB-CB 4.46Å; F379-C431 HydrophobicContact CD1-CB 3.82Å; F379-C431 HydrophobicContact CE1-CB 4.46Å; F379-C431 WeakPolarHBondContact CE1-O 3.48Å; F379-C431 HydrophobicContact CG-CB 4.35Å; F379-R434 HydrophobicContact CD1-CB 4.14Å; F379-R434 HydrophobicContact CE1-CB 4.06Å; F379-F435 HydrophobicContact CE1-CB 4.04Å; F379-F435 HydrophobicContact CZ-CB 4.07Å |
| 380 | H | 96.3 | Very high | 88.5 | Confident | 63 Ų | 63 | 27 Ų | 27 | 29% | 0.292 | 15% | 0.148 | S | C | . | . | trans | -49.5 | 126.4 | 178.6 | -166.9 | 91.9 | 0 | 0 | 0 | 112.3 | A376 R383 R434 | A376-H380 WeakPolarHBondContact O-CA 3.38Å; A376-H380 WeakPolarHBondContact O-CB 3.37Å; A376-H380 PolarHBondContact O-N 3.36Å; H380-R383 PolarHBondContact CD2-O 3.44Å; H380-R383 CarbonylContact O-C 3.52Å; H380-R383 VanDerWaalsContact O-C 3.27Å; H380-R434 PolarHBondContact O-NH1 3.13Å | ||
| 381 | L | 95.3 | Very high | 88 | Confident | 5 Ų | 5 | 28.5 Ų | 28.5 | 3% | 0.026 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -104.7 | 141 | 176.7 | -57.7 | -173.8 | 0 | 0 | 0 | 109 | L211 F379 K428 V430 L977 | L211-L381 HydrophobicContact CD2-CB 4.09Å; F379-L381 WeakPolarHBondContact O-CD2 3.36Å; F379-L381 WeakPolarHBondContact O-CG 3.12Å; F379-L381 PolarHBondContact O-N 3.1Å; L381-K428 HydrophobicContact CD1-CD 3.85Å; L381-V430 HydrophobicContact CD1-CG1 4.18Å; L381-V430 HydrophobicContact CD2-CG1 3.83Å; L381-V430 HydrophobicContact CD2-CG2 4.38Å; L381-L977 HydrophobicContact CB-CD1 4.16Å; L381-L977 HydrophobicContact CD1-CD1 3.83Å; L381-L977 HydrophobicContact CD2-CD1 4.21Å; L381-L977 HydrophobicContact CG-CD1 4.28Å |
| 382 | P | 92.2 | Very high | 87.6 | Confident | 12 Ų | 12 | 32.9 Ų | 32.9 | 8% | 0.078 | 18% | 0.178 | C | C | . | . | S | Bend | cis | -72 | -39.1 | 7.2 | -20.1 | 33.4 | 0 | 0 | 0 | 115.5 | L211 L281 R434 L977 | L211-P382 HydrophobicContact CD2-CG 4.08Å; L281-P382 HydrophobicContact CD1-CG 4.19Å; P382-R434 PolarHBondContact O-NH2 3.27Å; P382-L977 HydrophobicContact CB-CB 4.1Å; P382-L977 HydrophobicContact CB-CD2 3.83Å; P382-L977 WeakPolarHBondContact CB-O 3.37Å; P382-L977 HydrophobicContact CG-CD2 3.96Å |
| 383 | R | 88.8 | Confident | 87.4 | Confident | 84 Ų | 84 | 33.3 Ų | 33.3 | 32% | 0.317 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -136.2 | 152.9 | -177.5 | -51.3 | -167.6 | -161.3 | 99.8 | 0.6 | 111.2 | H380 E978 D981 | H380-R383 PolarHBondContact CD2-O 3.44Å; H380-R383 CarbonylContact O-C 3.52Å; H380-R383 VanDerWaalsContact O-C 3.27Å; R383-E978 PolarHBondContact NE-O 3.49Å; R383-E978 PolarHBondContact NH2-O 2.91Å; R383-D981 IonicContact CZ-OD2 3.85Å; R383-D981 IonicContact NH1-OD2 2.98Å; R383-D981 PolarHBondContact NH1-OD2 3.44Å; R383-D981 IonicContact NH2-OD2 3.88Å; R383-D981 PolarHBondContact NH2-OD2 2.73Å |
| 384 | P | 91.2 | Very high | 87.3 | Confident | 13 Ų | 13 | 32.9 Ų | 32.9 | 8% | 0.084 | 18% | 0.176 | C | C | . | . | trans | -55.3 | 138.5 | 175 | -22.7 | 33.3 | 0 | 0 | 0 | 111.9 | G377 V386 L391 Y394 | G377-P384 WeakPolarHBondContact O-CA 3.28Å; G377-P384 WeakPolarHBondContact O-CB 3.4Å; P384-V386 PolarHBondContact O-N 3.34Å; P384-L391 HydrophobicContact CG-CD2 3.81Å; P384-Y394 HydrophobicContact CB-CE2 3.81Å | ||
| 385 | P | 86.3 | Confident | 87.2 | Confident | 65 Ų | 65 | 32.8 Ų | 32.8 | 42% | 0.422 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -70.4 | -29.8 | -171.7 | 25.9 | -35.3 | 0 | 0 | 0 | 114.2 | G377 Y394 | G377-P385 WeakPolarHBondContact O-CD 3.42Å; P385-Y394 WeakPolarHBondContact CD-OH 3.45Å |
| 386 | V | 76.8 | Confident | 87.1 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -60.5 | 137.4 | 176.4 | 166.9 | 0 | 0 | 0 | 0 | 110.3 | P384 G389 F393 Y394 | P384-V386 PolarHBondContact O-N 3.34Å; V386-G389 WeakPolarHBondContact O-CA 3.44Å; V386-G389 PolarHBondContact O-N 2.91Å; V386-F393 HydrophobicContact CB-CD1 4.26Å; V386-F393 HydrophobicContact CG1-CB 4.24Å; V386-F393 HydrophobicContact CG1-CD1 3.98Å; V386-F393 HydrophobicContact CG1-CG 4.15Å; V386-F393 HydrophobicContact CG2-CD1 3.78Å; V386-F393 HydrophobicContact CG2-CE1 3.86Å; V386-Y394 HydrophobicContact CB-CE2 4.32Å; V386-Y394 HydrophobicContact CG2-CE1 4.27Å; V386-Y394 HydrophobicContact CG2-CE2 4.47Å; V386-Y394 VanDerWaalsContact CG2-OH 3.31Å; V386-Y394 WeakPolarHBondContact CG2-OH 3.48Å |
| 387 | Q | 63.8 | Low | 87 | Confident | 67 Ų | 67 | 32 Ų | 32 | 31% | 0.313 | 17% | 0.169 | S | C | . | . | G | 310 helix | trans | -48.6 | 141.9 | -172.4 | -69 | -167.8 | -8.9 | 0 | 0 | 112.8 | G389 L868 | Q387-G389 PolarHBondContact O-N 2.97Å; Q387-L868 HydrophobicContact CG-CD1 4.44Å |
| 388 | H | 58.7 | Low | 87.1 | Confident | 105 Ų | 105 | 31.7 Ų | 31.7 | 49% | 0.486 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | 65.9 | 1.5 | -171.4 | -36.7 | -79 | 0 | 0 | 0 | 115.9 | N390 L868 | H388-N390 HydrophobicContact CB-CB 4.44Å; H388-N390 PolarHBondContact O-N 3.46Å; H388-L868 PolarHBondContact CE1-O 3.17Å; H388-L868 VanDerWaalsContact CE1-O 3.27Å; H388-L868 PolarHBondContact ND1-O 3.44Å |
| 389 | G | 61.4 | Low | 87.2 | Confident | 22 Ų | 22 | 33 Ų | 33 | 23% | 0.227 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | 65.8 | 25.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | V386 Q387 L391 | V386-G389 WeakPolarHBondContact O-CA 3.44Å; V386-G389 PolarHBondContact O-N 2.91Å; Q387-G389 PolarHBondContact O-N 2.97Å; G389-L391 PolarHBondContact O-N 3.38Å; G389-L391 VanDerWaalsContact O-N 3.1Å |
| 390 | N | 71.9 | Confident | 87.2 | Confident | 76 Ų | 76 | 34.2 Ų | 34.2 | 41% | 0.406 | 18% | 0.179 | S | C | . | . | trans | -76.8 | 99.5 | -161.8 | -175.1 | 10.4 | 0 | 0 | 0 | 113.2 | H388 L392 F393 | H388-N390 HydrophobicContact CB-CB 4.44Å; H388-N390 PolarHBondContact O-N 3.46Å; N390-L392 PolarHBondContact O-N 2.86Å; N390-L392 VanDerWaalsContact O-N 3.09Å; N390-L392 VanDerWaalsContact OD1-CB 3.26Å; N390-L392 WeakPolarHBondContact OD1-CB 3.44Å; N390-L392 PolarHBondContact OD1-N 3.29Å; N390-F393 WeakPolarHBondContact O-CB 3.25Å; N390-F393 PolarHBondContact O-N 3.42Å | ||
| 391 | L | 87.8 | Confident | 87.3 | Confident | 32 Ų | 32 | 31.2 Ų | 31.2 | 17% | 0.168 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.1 | -24.7 | 178.5 | -56 | 177 | 0 | 0 | 0 | 113.9 | M378 P384 G389 F393 Y394 G395 R434 E437 | M378-L391 HydrophobicContact CG-CD2 3.97Å; P384-L391 HydrophobicContact CG-CD2 3.81Å; G389-L391 PolarHBondContact O-N 3.38Å; G389-L391 VanDerWaalsContact O-N 3.1Å; L391-F393 PolarHBondContact O-N 3.05Å; L391-Y394 PolarHBondContact O-N 3.13Å; L391-G395 PolarHBondContact O-N 3.29Å; L391-R434 HydrophobicContact CD1-CB 4.1Å; L391-R434 HydrophobicContact CD1-CG 3.9Å; L391-R434 HydrophobicContact CD2-CB 4.36Å; L391-R434 HydrophobicContact CD2-CG 4.17Å; L391-E437 HydrophobicContact CD1-CB 4.2Å; L391-E437 HydrophobicContact CD1-CG 4.39Å |
| 392 | L | 91 | Very high | 87.3 | Confident | 91 Ų | 91 | 31.4 Ų | 31.4 | 48% | 0.476 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -63.5 | -26.6 | 176.4 | -175.1 | 62.2 | 0 | 0 | 0 | 112.7 | N390 S396 Y441 | N390-L392 PolarHBondContact O-N 2.86Å; N390-L392 VanDerWaalsContact O-N 3.09Å; N390-L392 VanDerWaalsContact OD1-CB 3.26Å; N390-L392 WeakPolarHBondContact OD1-CB 3.44Å; N390-L392 PolarHBondContact OD1-N 3.29Å; L392-S396 VanDerWaalsContact O-CB 3.32Å; L392-S396 WeakPolarHBondContact O-CB 3.36Å; L392-S396 PolarHBondContact O-N 2.92Å; L392-S396 PolarHBondContact O-OG 2.76Å; L392-Y441 HydrophobicContact CD1-CD2 4.15Å; L392-Y441 HydrophobicContact CD1-CE1 4.2Å; L392-Y441 HydrophobicContact CD1-CE2 3.57Å |
| 393 | F | 93.6 | Very high | 87.5 | Confident | 11 Ų | 11 | 35.7 Ų | 35.7 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.5 | -61.2 | 172.1 | 168.2 | -108 | 0 | 0 | 0 | 110.2 | M341 S345 V386 N390 L391 G395 S396 L397 | M341-F393 HydrophobicContact CB-CE1 4.15Å; M341-F393 HydrophobicContact CB-CZ 4.36Å; M341-F393 HydrophobicContact CG-CE1 4.41Å; S345-F393 VanDerWaalsContact CA-CE2 3.49Å; S345-F393 VanDerWaalsContact O-CD2 3.25Å; S345-F393 WeakPolarHBondContact O-CD2 3.5Å; V386-F393 HydrophobicContact CB-CD1 4.26Å; V386-F393 HydrophobicContact CG1-CB 4.24Å; V386-F393 HydrophobicContact CG1-CD1 3.98Å; V386-F393 HydrophobicContact CG1-CG 4.15Å; V386-F393 HydrophobicContact CG2-CD1 3.78Å; V386-F393 HydrophobicContact CG2-CE1 3.86Å; N390-F393 WeakPolarHBondContact O-CB 3.25Å; N390-F393 PolarHBondContact O-N 3.42Å; L391-F393 PolarHBondContact O-N 3.05Å; F393-G395 VanDerWaalsContact C-N 3.32Å; F393-G395 PolarHBondContact O-N 3.37Å; F393-S396 PolarHBondContact O-N 3.4Å; F393-S396 PolarHBondContact O-OG 3.15Å; F393-L397 HydrophobicContact CE1-CD2 3.98Å; F393-L397 HydrophobicContact CE2-CB 4.45Å; F393-L397 HydrophobicContact CE2-CD2 4.37Å; F393-L397 HydrophobicContact CZ-CD2 3.69Å; F393-L397 VanDerWaalsContact O-CB 3.27Å; F393-L397 WeakPolarHBondContact O-CB 3.39Å; F393-L397 PolarHBondContact O-N 3.47Å |
| 394 | Y | 95.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 0% | 0.004 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | -179.7 | -57 | -74 | 0 | 0 | 0 | 112 | M341 V374 M378 P384 P385 V386 L391 S396 L397 L398 | M341-Y394 HydrophobicContact SD-CD1 4.44Å; M341-Y394 HydrophobicContact SD-CE1 4.21Å; V374-Y394 HydrophobicContact CG1-CD1 4.13Å; M378-Y394 HydrophobicContact CB-CD2 4.34Å; M378-Y394 HydrophobicContact CB-CG 4.3Å; P384-Y394 HydrophobicContact CB-CE2 3.81Å; P385-Y394 WeakPolarHBondContact CD-OH 3.45Å; V386-Y394 HydrophobicContact CB-CE2 4.32Å; V386-Y394 HydrophobicContact CG2-CE1 4.27Å; V386-Y394 HydrophobicContact CG2-CE2 4.47Å; V386-Y394 VanDerWaalsContact CG2-OH 3.31Å; V386-Y394 WeakPolarHBondContact CG2-OH 3.48Å; L391-Y394 PolarHBondContact O-N 3.13Å; Y394-S396 PolarHBondContact O-N 3.27Å; Y394-L397 PolarHBondContact O-N 2.96Å; Y394-L398 WeakPolarHBondContact O-CG 3.32Å; Y394-L398 PolarHBondContact O-N 3.32Å |
| 395 | G | 95.2 | Very high | 88 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -61 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | L391 F393 V399 | L391-G395 PolarHBondContact O-N 3.29Å; F393-G395 VanDerWaalsContact C-N 3.32Å; F393-G395 PolarHBondContact O-N 3.37Å; G395-V399 WeakPolarHBondContact O-CG2 3.47Å; G395-V399 PolarHBondContact O-N 3.35Å |
| 396 | S | 95.5 | Very high | 88.3 | Confident | 11 Ų | 11 | 35.2 Ų | 35.2 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -80.6 | -24.1 | 177.7 | 68.5 | 0 | 0 | 0 | 0 | 113.6 | R348 L392 F393 Y394 V399 Q400 | R348-S396 WeakPolarHBondContact CD-O 3.3Å; R348-S396 WeakPolarHBondContact CD-OG 3.46Å; L392-S396 VanDerWaalsContact O-CB 3.32Å; L392-S396 WeakPolarHBondContact O-CB 3.36Å; L392-S396 PolarHBondContact O-N 2.92Å; L392-S396 PolarHBondContact O-OG 2.76Å; F393-S396 PolarHBondContact O-N 3.4Å; F393-S396 PolarHBondContact O-OG 3.15Å; Y394-S396 PolarHBondContact O-N 3.27Å; S396-V399 PolarHBondContact O-N 2.62Å; S396-Q400 PolarHBondContact O-N 3.29Å |
| 397 | L | 96.8 | Very high | 89 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.6 | -41.8 | 169.5 | 177.5 | 62.6 | 0 | 0 | 0 | 111 | M341 C351 A352 L355 V374 F393 Y394 Q400 L401 | M341-L397 HydrophobicContact CG-CD2 4.1Å; M341-L397 HydrophobicContact SD-CD2 4.16Å; C351-L397 HydrophobicContact CB-CD1 4.01Å; A352-L397 HydrophobicContact CB-CD1 4.02Å; L355-L397 HydrophobicContact CD1-CD1 4.27Å; L355-L397 HydrophobicContact CD1-CD2 4Å; V374-L397 HydrophobicContact CG2-CD2 3.91Å; F393-L397 HydrophobicContact CE1-CD2 3.98Å; F393-L397 HydrophobicContact CE2-CB 4.45Å; F393-L397 HydrophobicContact CE2-CD2 4.37Å; F393-L397 HydrophobicContact CZ-CD2 3.69Å; F393-L397 VanDerWaalsContact O-CB 3.27Å; F393-L397 WeakPolarHBondContact O-CB 3.39Å; F393-L397 PolarHBondContact O-N 3.47Å; Y394-L397 PolarHBondContact O-N 2.96Å; L397-Q400 WeakPolarHBondContact O-CB 3.38Å; L397-Q400 PolarHBondContact O-N 3.06Å; L397-Q400 VanDerWaalsContact O-N 3.16Å; L397-L401 HydrophobicContact CD1-CD1 4.27Å; L397-L401 HydrophobicContact CD1-CG 4.23Å; L397-L401 HydrophobicContact CG-CD1 3.96Å; L397-L401 HydrophobicContact CG-CG 4.4Å; L397-L401 WeakPolarHBondContact O-CG 3.39Å; L397-L401 PolarHBondContact O-N 3.15Å |
| 398 | L | 97.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -43.2 | 173.9 | -71.8 | 171.1 | 0 | 0 | 0 | 111.9 | I371 V374 F375 M378 Y394 Q400 L401 C402 L413 W438 | I371-L398 HydrophobicContact CD1-CD2 3.45Å; I371-L398 VanDerWaalsContact CD1-CD2 3.45Å; V374-L398 HydrophobicContact CB-CD2 4.25Å; V374-L398 HydrophobicContact CG1-CD1 3.94Å; V374-L398 HydrophobicContact CG1-CD2 3.71Å; V374-L398 HydrophobicContact CG1-CG 3.69Å; F375-L398 HydrophobicContact CE1-CD1 4.32Å; F375-L398 HydrophobicContact CZ-CD1 4.21Å; M378-L398 HydrophobicContact CE-CD1 4.1Å; Y394-L398 WeakPolarHBondContact O-CG 3.32Å; Y394-L398 PolarHBondContact O-N 3.32Å; L398-Q400 VanDerWaalsContact C-N 3.3Å; L398-Q400 PolarHBondContact O-N 3.08Å; L398-L401 HydrophobicContact CD2-CD1 4.5Å; L398-L401 PolarHBondContact O-N 2.92Å; L398-C402 PolarHBondContact O-N 3.32Å; L398-C402 PolarHBondContact O-SG 3.45Å; L398-L413 HydrophobicContact CB-CD2 4.25Å; L398-L413 HydrophobicContact CD1-CD1 4.23Å; L398-L413 HydrophobicContact CD2-CD1 4.08Å; L398-L413 HydrophobicContact CD2-CD2 4.34Å; L398-W438 HydrophobicContact CD1-CD2 4.47Å; L398-W438 HydrophobicContact CD1-CZ2 4.27Å; L398-W438 VanDerWaalsContact CD1-NE1 3.3Å |
| 399 | V | 97.1 | Very high | 92.1 | Very high | 29 Ų | 29 | 35.1 Ų | 35.1 | 18% | 0.176 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.6 | -39.9 | 173.2 | 175.7 | 0 | 0 | 0 | 0 | 111.2 | G395 S396 H403 Y441 N445 Y446 | G395-V399 WeakPolarHBondContact O-CG2 3.47Å; G395-V399 PolarHBondContact O-N 3.35Å; S396-V399 PolarHBondContact O-N 2.62Å; V399-H403 PolarHBondContact O-N 3.12Å; V399-Y441 HydrophobicContact CG2-CE1 4.42Å; V399-N445 HydrophobicContact CG2-CB 4.21Å; V399-Y446 HydrophobicContact CG2-CE2 4.29Å |
| 400 | Q | 97.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 36 Ų | 36 | 11% | 0.112 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67 | -44.7 | 176 | -165.6 | 70.3 | 41.8 | 0 | 0 | 112.2 | R348 A352 S396 L397 L398 C402 H403 E404 | R348-Q400 HydrophobicContact CG-CB 4.36Å; R348-Q400 HydrophobicContact CG-CG 4.42Å; A352-Q400 HydrophobicContact CB-CB 4.15Å; A352-Q400 HydrophobicContact CB-CG 3.66Å; S396-Q400 PolarHBondContact O-N 3.29Å; L397-Q400 WeakPolarHBondContact O-CB 3.38Å; L397-Q400 PolarHBondContact O-N 3.06Å; L397-Q400 VanDerWaalsContact O-N 3.16Å; L398-Q400 VanDerWaalsContact C-N 3.3Å; L398-Q400 PolarHBondContact O-N 3.08Å; Q400-C402 VanDerWaalsContact C-N 3.31Å; Q400-C402 PolarHBondContact O-N 3.44Å; Q400-H403 WeakPolarHBondContact O-CA 3.3Å; Q400-H403 WeakPolarHBondContact O-CB 3.32Å; Q400-H403 PolarHBondContact O-N 2.82Å; Q400-E404 HydrophobicContact CG-CG 4.26Å; Q400-E404 PolarHBondContact NE2-OE1 3.25Å; Q400-E404 WeakPolarHBondContact O-CG 3.44Å; Q400-E404 PolarHBondContact O-N 2.83Å |
| 401 | L | 98.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -38.7 | 177.9 | -71.3 | 163.3 | 0 | 0 | 0 | 111.5 | A352 L356 I370 V374 L397 L398 H403 E404 A405 I409 | A352-L401 HydrophobicContact CB-CD2 3.83Å; A352-L401 HydrophobicContact CB-CG 4.11Å; L356-L401 HydrophobicContact CD1-CD2 3.92Å; L356-L401 HydrophobicContact CD2-CD2 4.33Å; L356-L401 HydrophobicContact CG-CD2 3.84Å; I370-L401 HydrophobicContact CG2-CD1 3.62Å; I370-L401 HydrophobicContact CG2-CD2 4.09Å; V374-L401 HydrophobicContact CG2-CD1 4.38Å; L397-L401 HydrophobicContact CD1-CD1 4.27Å; L397-L401 HydrophobicContact CD1-CG 4.23Å; L397-L401 HydrophobicContact CG-CD1 3.96Å; L397-L401 HydrophobicContact CG-CG 4.4Å; L397-L401 WeakPolarHBondContact O-CG 3.39Å; L397-L401 PolarHBondContact O-N 3.15Å; L398-L401 HydrophobicContact CD2-CD1 4.5Å; L398-L401 PolarHBondContact O-N 2.92Å; L401-H403 PolarHBondContact O-N 3.37Å; L401-E404 PolarHBondContact O-N 3.49Å; L401-A405 PolarHBondContact O-N 2.98Å; L401-I409 HydrophobicContact CB-CG1 4.49Å; L401-I409 HydrophobicContact CB-CG2 3.91Å |
| 402 | C | 97 | Very high | 95.2 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 6% | 0.061 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.7 | -24.6 | 171.3 | -70.5 | 0 | 0 | 0 | 0 | 113.8 | L398 Q400 S406 P410 Y446 | L398-C402 PolarHBondContact O-N 3.32Å; L398-C402 PolarHBondContact O-SG 3.45Å; Q400-C402 VanDerWaalsContact C-N 3.31Å; Q400-C402 PolarHBondContact O-N 3.44Å; C402-S406 VanDerWaalsContact O-CA 3.25Å; C402-S406 WeakPolarHBondContact O-CA 3.36Å; C402-P410 HydrophobicContact CB-CG 4.09Å; C402-Y446 VanDerWaalsContact CB-OH 3.22Å; C402-Y446 WeakPolarHBondContact CB-OH 3.41Å |
| 403 | H | 95.8 | Very high | 95.5 | Very high | 102 Ų | 102 | 28.4 Ų | 28.4 | 47% | 0.472 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -84.3 | -45.1 | 174.6 | 178.6 | -66.5 | 0 | 0 | 0 | 111.9 | V399 Q400 L401 A405 F601 | V399-H403 PolarHBondContact O-N 3.12Å; Q400-H403 WeakPolarHBondContact O-CA 3.3Å; Q400-H403 WeakPolarHBondContact O-CB 3.32Å; Q400-H403 PolarHBondContact O-N 2.82Å; L401-H403 PolarHBondContact O-N 3.37Å; H403-A405 VanDerWaalsContact C-N 3.34Å; H403-A405 PolarHBondContact O-N 2.8Å; H403-F601 AromaticContact NE2-CE1 3.51Å; H403-F601 AromaticContact NE2-CZ 3.45Å; H403-F601 WeakPolarHBondContact NE2-CZ 3.41Å |
| 404 | E | 95.8 | Very high | 95.5 | Very high | 57 Ų | 57 | 28.5 Ų | 28.5 | 27% | 0.266 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -70.4 | -27.7 | -178.8 | -56.9 | -63.9 | 166.4 | 0 | 0 | 113 | A352 K353 L356 Q400 L401 | A352-E404 HydrophobicContact CB-CG 4.01Å; K353-E404 WeakPolarHBondContact CE-OE1 3.27Å; K353-E404 WeakPolarHBondContact CE-OE2 3.36Å; K353-E404 HydrophobicContact CG-CG 4.47Å; K353-E404 IonicContact NZ-OE1 3.21Å; K353-E404 IonicContact NZ-OE2 3.06Å; K353-E404 PolarHBondContact NZ-OE2 3.24Å; L356-E404 HydrophobicContact CD1-CB 3.56Å; L356-E404 HydrophobicContact CD1-CG 4.5Å; Q400-E404 HydrophobicContact CG-CG 4.26Å; Q400-E404 PolarHBondContact NE2-OE1 3.25Å; Q400-E404 WeakPolarHBondContact O-CG 3.44Å; Q400-E404 PolarHBondContact O-N 2.83Å; L401-E404 PolarHBondContact O-N 3.49Å |
| 405 | A | 94.1 | Very high | 95.5 | Very high | 21 Ų | 21 | 29.4 Ų | 29.4 | 17% | 0.174 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.7 | 57.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L356 L401 H403 N407 T408 I409 P410 | L356-A405 HydrophobicContact CD1-CB 3.93Å; L356-A405 HydrophobicContact CD2-CB 4.01Å; L401-A405 PolarHBondContact O-N 2.98Å; H403-A405 VanDerWaalsContact C-N 3.34Å; H403-A405 PolarHBondContact O-N 2.8Å; A405-N407 PolarHBondContact O-N 2.88Å; A405-N407 VanDerWaalsContact O-N 3.13Å; A405-T408 PolarHBondContact O-N 3.42Å; A405-I409 HydrophobicContact CB-CB 4.32Å; A405-I409 HydrophobicContact CB-CG1 3.7Å; A405-I409 PolarHBondContact O-N 3.48Å; A405-I409 VanDerWaalsContact O-N 3.09Å; A405-P410 WeakPolarHBondContact O-CD 3.4Å |
| 406 | S | 93.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 29.4 Ų | 29.4 | 52% | 0.524 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -26 | -172.8 | 55.9 | 0 | 0 | 0 | 0 | 116.2 | C402 P410 | C402-S406 VanDerWaalsContact O-CA 3.25Å; C402-S406 WeakPolarHBondContact O-CA 3.36Å; S406-P410 WeakPolarHBondContact O-CD 3.32Å; S406-P410 WeakPolarHBondContact O-CG 3.45Å |
| 407 | N | 90.4 | Very high | 95.8 | Very high | 151 Ų | 151 | 29 Ų | 29 | 81% | 0.807 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -24.4 | -178.5 | -68.1 | -22.6 | 0 | 0 | 0 | 113.9 | A405 | A405-N407 PolarHBondContact O-N 2.88Å; A405-N407 VanDerWaalsContact O-N 3.13Å |
| 408 | T | 93.1 | Very high | 95.7 | Very high | 26 Ų | 26 | 29.7 Ų | 29.7 | 16% | 0.16 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | -50.5 | -169.1 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | D367 A405 L411 V412 | D367-T408 WeakPolarHBondContact OD2-CB 3.4Å; D367-T408 PolarHBondContact OD2-OG1 2.85Å; A405-T408 PolarHBondContact O-N 3.42Å; T408-L411 WeakPolarHBondContact O-CB 3.45Å; T408-L411 PolarHBondContact O-N 3Å; T408-V412 PolarHBondContact O-N 3.34Å; T408-V412 VanDerWaalsContact O-N 3.17Å |
| 409 | I | 95.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.3 | -43.9 | -176.5 | -73.2 | -68.9 | 0 | 0 | 0 | 112.9 | L356 D367 I371 L401 A405 L411 V412 L413 | L356-I409 HydrophobicContact CD2-CD1 4.38Å; L356-I409 HydrophobicContact CD2-CG1 4.3Å; D367-I409 HydrophobicContact CB-CD1 3.89Å; I371-I409 HydrophobicContact CD1-CD1 4.29Å; I371-I409 HydrophobicContact CD1-CG2 4.17Å; I371-I409 HydrophobicContact CG1-CD1 4.16Å; L401-I409 HydrophobicContact CB-CG1 4.49Å; L401-I409 HydrophobicContact CB-CG2 3.91Å; A405-I409 HydrophobicContact CB-CB 4.32Å; A405-I409 HydrophobicContact CB-CG1 3.7Å; A405-I409 PolarHBondContact O-N 3.48Å; A405-I409 VanDerWaalsContact O-N 3.09Å; I409-L411 PolarHBondContact O-N 3.34Å; I409-V412 PolarHBondContact O-N 3Å; I409-L413 VanDerWaalsContact O-CB 3.29Å; I409-L413 WeakPolarHBondContact O-CB 3.38Å; I409-L413 PolarHBondContact O-N 3.2Å |
| 410 | P | 95.3 | Very high | 95.6 | Very high | 40 Ų | 40 | 28.7 Ų | 28.7 | 26% | 0.26 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -61.1 | -29.5 | 177 | -26.1 | 37.1 | 0 | 0 | 0 | 114.2 | C402 A405 S406 A414 | C402-P410 HydrophobicContact CB-CG 4.09Å; A405-P410 WeakPolarHBondContact O-CD 3.4Å; S406-P410 WeakPolarHBondContact O-CD 3.32Å; S406-P410 WeakPolarHBondContact O-CG 3.45Å; P410-A414 VanDerWaalsContact O-CB 3.28Å; P410-A414 WeakPolarHBondContact O-CB 3.44Å; P410-A414 PolarHBondContact O-N 3.49Å |
| 411 | L | 93.5 | Very high | 95.6 | Very high | 33 Ų | 33 | 27.9 Ų | 27.9 | 17% | 0.173 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.2 | -45.6 | 177 | -178.1 | 62.6 | 0 | 0 | 0 | 111.2 | I295 T408 I409 A414 Q415 M614 L618 | I295-L411 HydrophobicContact CD1-CD1 4.25Å; I295-L411 HydrophobicContact CD1-CD2 3.69Å; I295-L411 HydrophobicContact CD1-CG 3.8Å; T408-L411 WeakPolarHBondContact O-CB 3.45Å; T408-L411 PolarHBondContact O-N 3Å; I409-L411 PolarHBondContact O-N 3.34Å; L411-A414 PolarHBondContact O-N 2.85Å; L411-Q415 PolarHBondContact O-N 3.43Å; L411-M614 HydrophobicContact CB-CE 4.13Å; L411-M614 HydrophobicContact CD1-CE 4Å; L411-M614 HydrophobicContact CD1-CG 4.15Å; L411-L618 HydrophobicContact CD1-CD1 3.72Å |
| 412 | V | 96.4 | Very high | 95.5 | Very high | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -41.9 | 175.9 | -178.6 | 0 | 0 | 0 | 0 | 111.1 | F289 D367 Y368 I371 T408 I409 Q415 A416 | F289-V412 HydrophobicContact CE2-CG1 4.35Å; F289-V412 HydrophobicContact CZ-CG1 4.5Å; D367-V412 HydrophobicContact CB-CG2 4.09Å; Y368-V412 HydrophobicContact CD1-CG1 3.84Å; Y368-V412 HydrophobicContact CD2-CG1 4.16Å; Y368-V412 HydrophobicContact CD2-CG2 3.98Å; Y368-V412 HydrophobicContact CE1-CG1 3.98Å; Y368-V412 HydrophobicContact CE1-CG2 4.46Å; Y368-V412 HydrophobicContact CE2-CG1 4.29Å; Y368-V412 HydrophobicContact CE2-CG2 3.58Å; Y368-V412 HydrophobicContact CG-CG1 3.91Å; I371-V412 HydrophobicContact CB-CG1 3.98Å; I371-V412 HydrophobicContact CG1-CB 4.35Å; I371-V412 HydrophobicContact CG1-CG1 3.84Å; I371-V412 HydrophobicContact CG2-CG1 4.3Å; T408-V412 PolarHBondContact O-N 3.34Å; T408-V412 VanDerWaalsContact O-N 3.17Å; I409-V412 PolarHBondContact O-N 3Å; V412-Q415 PolarHBondContact O-N 3.03Å; V412-A416 WeakPolarHBondContact O-CB 3.27Å; V412-A416 PolarHBondContact O-N 3.08Å |
| 413 | L | 97.2 | Very high | 95.5 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.016 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -67.3 | -37.1 | 177.4 | -176.4 | 57.2 | 0 | 0 | 0 | 112.3 | I371 F375 L398 I409 A416 T417 W438 H442 | I371-L413 HydrophobicContact CD1-CB 4.36Å; I371-L413 HydrophobicContact CD1-CD1 4.38Å; I371-L413 HydrophobicContact CG2-CD1 4.34Å; F375-L413 HydrophobicContact CE2-CD1 3.75Å; F375-L413 HydrophobicContact CZ-CD1 3.65Å; L398-L413 HydrophobicContact CB-CD2 4.25Å; L398-L413 HydrophobicContact CD1-CD1 4.23Å; L398-L413 HydrophobicContact CD2-CD1 4.08Å; L398-L413 HydrophobicContact CD2-CD2 4.34Å; I409-L413 VanDerWaalsContact O-CB 3.29Å; I409-L413 WeakPolarHBondContact O-CB 3.38Å; I409-L413 PolarHBondContact O-N 3.2Å; L413-A416 PolarHBondContact O-N 3.13Å; L413-T417 PolarHBondContact O-N 3.23Å; L413-T417 PolarHBondContact O-OG1 3.3Å; L413-W438 HydrophobicContact CD1-CH2 4.25Å; L413-W438 HydrophobicContact CD1-CZ2 3.85Å; L413-W438 HydrophobicContact CG-CZ2 4.44Å; L413-H442 VanDerWaalsContact CD2-CE1 3.49Å; L413-H442 WeakPolarHBondContact CD2-CE1 3.45Å |
| 414 | A | 94.9 | Very high | 95.5 | Very high | 14 Ų | 14 | 28.7 Ų | 28.7 | 12% | 0.116 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63 | -45.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | P410 L411 A416 T417 E418 L618 | P410-A414 VanDerWaalsContact O-CB 3.28Å; P410-A414 WeakPolarHBondContact O-CB 3.44Å; P410-A414 PolarHBondContact O-N 3.49Å; L411-A414 PolarHBondContact O-N 2.85Å; A414-A416 PolarHBondContact O-N 3.31Å; A414-T417 WeakPolarHBondContact O-CB 3.48Å; A414-T417 PolarHBondContact O-N 3.2Å; A414-E418 WeakPolarHBondContact O-CG 3.44Å; A414-E418 PolarHBondContact O-N 3.44Å; A414-L618 HydrophobicContact CB-CD2 4.31Å |
| 415 | Q | 95.5 | Very high | 95.5 | Very high | 19 Ų | 19 | 29.4 Ų | 29.4 | 9% | 0.089 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 173.5 | 179.2 | 175.8 | -15.9 | 0 | 0 | 111.8 | F289 D293 Y368 L411 V412 T417 E418 V419 | F289-Q415 HydrophobicContact CE1-CG 4.41Å; D293-Q415 PolarHBondContact O-NE2 2.77Å; D293-Q415 PolarHBondContact O-OE1 2.71Å; D293-Q415 PolarHBondContact OD1-NE2 3.02Å; Y368-Q415 PolarHBondContact OH-OE1 2.92Å; L411-Q415 PolarHBondContact O-N 3.43Å; V412-Q415 PolarHBondContact O-N 3.03Å; Q415-T417 VanDerWaalsContact C-N 3.32Å; Q415-T417 PolarHBondContact O-N 3.33Å; Q415-E418 PolarHBondContact O-N 2.81Å; Q415-V419 WeakPolarHBondContact O-CG2 3.18Å; Q415-V419 PolarHBondContact O-N 3Å |
| 416 | A | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.6 | -44.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M288 F289 I371 F375 V412 L413 A414 E418 V419 L420 | M288-A416 HydrophobicContact CE-CB 3.8Å; F289-A416 HydrophobicContact CE2-CB 4.48Å; F289-A416 HydrophobicContact CZ-CB 3.75Å; I371-A416 HydrophobicContact CG2-CB 3.67Å; F375-A416 HydrophobicContact CD2-CB 4.25Å; F375-A416 HydrophobicContact CE2-CB 3.63Å; V412-A416 WeakPolarHBondContact O-CB 3.27Å; V412-A416 PolarHBondContact O-N 3.08Å; L413-A416 PolarHBondContact O-N 3.13Å; A414-A416 PolarHBondContact O-N 3.31Å; A416-E418 VanDerWaalsContact C-N 3.31Å; A416-E418 PolarHBondContact O-N 2.97Å; A416-V419 PolarHBondContact O-N 2.75Å; A416-L420 VanDerWaalsContact O-CG 3.27Å; A416-L420 WeakPolarHBondContact O-CG 3.32Å; A416-L420 PolarHBondContact O-N 2.75Å |
| 417 | T | 97.8 | Very high | 95.8 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -59.5 | -41.2 | 179.6 | -50.7 | 0 | 0 | 0 | 0 | 111.9 | L413 A414 Q415 F421 F435 W438 F439 W450 W455 | L413-T417 PolarHBondContact O-N 3.23Å; L413-T417 PolarHBondContact O-OG1 3.3Å; A414-T417 WeakPolarHBondContact O-CB 3.48Å; A414-T417 PolarHBondContact O-N 3.2Å; Q415-T417 VanDerWaalsContact C-N 3.32Å; Q415-T417 PolarHBondContact O-N 3.33Å; T417-F421 WeakPolarHBondContact O-CB 3.43Å; T417-F421 PolarHBondContact O-N 3.14Å; T417-F435 HydrophobicContact CG2-CE2 4.24Å; T417-F435 HydrophobicContact CG2-CZ 4.28Å; T417-W438 HydrophobicContact CG2-CH2 4.21Å; T417-F439 HydrophobicContact CG2-CD2 4.05Å; T417-F439 HydrophobicContact CG2-CE2 3.76Å; T417-F439 HydrophobicContact CG2-CZ 4.49Å; T417-W450 HydrophobicContact CG2-CH2 3.72Å; T417-W450 HydrophobicContact CG2-CZ2 3.75Å; T417-W455 HydrophobicContact CG2-CH2 4.41Å; T417-W455 HydrophobicContact CG2-CZ2 4.22Å |
| 418 | E | 95.4 | Very high | 96.1 | Very high | 16 Ų | 16 | 20.5 Ų | 20.5 | 8% | 0.075 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.6 | -44.6 | 176 | -63 | -76.2 | -152.8 | 0 | 0 | 111.6 | A414 Q415 A416 L420 F421 E422 W455 R622 | A414-E418 WeakPolarHBondContact O-CG 3.44Å; A414-E418 PolarHBondContact O-N 3.44Å; Q415-E418 PolarHBondContact O-N 2.81Å; A416-E418 VanDerWaalsContact C-N 3.31Å; A416-E418 PolarHBondContact O-N 2.97Å; E418-L420 VanDerWaalsContact C-N 3.32Å; E418-L420 PolarHBondContact O-N 3.21Å; E418-F421 WeakPolarHBondContact O-CB 3.27Å; E418-F421 PolarHBondContact O-N 3.46Å; E418-F421 VanDerWaalsContact O-N 3.09Å; E418-E422 WeakPolarHBondContact O-CG 3.45Å; E418-E422 PolarHBondContact O-N 2.73Å; E418-W455 PolarHBondContact OE2-NE1 3.29Å; E418-R622 IonicContact OE1-CZ 3.58Å; E418-R622 IonicContact OE1-NE 2.66Å; E418-R622 PolarHBondContact OE1-NE 2.86Å; E418-R622 IonicContact OE1-NH2 2.7Å; E418-R622 PolarHBondContact OE1-NH2 2.98Å |
| 419 | V | 95.9 | Very high | 96.2 | Very high | 7 Ų | 7 | 19.4 Ų | 19.4 | 4% | 0.042 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.8 | -38.9 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 111.9 | M288 F289 Q415 A416 R423 | M288-V419 HydrophobicContact CB-CG1 4.5Å; M288-V419 HydrophobicContact CE-CB 3.99Å; M288-V419 HydrophobicContact CE-CG1 3.82Å; F289-V419 HydrophobicContact CE1-CG2 4.43Å; Q415-V419 WeakPolarHBondContact O-CG2 3.18Å; Q415-V419 PolarHBondContact O-N 3Å; A416-V419 PolarHBondContact O-N 2.75Å; V419-R423 WeakPolarHBondContact O-CB 3.28Å; V419-R423 WeakPolarHBondContact O-CG 3.27Å; V419-R423 PolarHBondContact O-N 3.05Å |
| 420 | L | 97.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -65.9 | -39.3 | 173.3 | -66.2 | 173.7 | 0 | 0 | 0 | 111.5 | W214 F286 M288 F375 F379 A416 E418 L424 M427 F435 W438 | W214-L420 HydrophobicContact CH2-CD2 3.96Å; W214-L420 HydrophobicContact CZ2-CD2 3.83Å; F286-L420 HydrophobicContact CZ-CD2 4.46Å; M288-L420 HydrophobicContact CE-CD2 3.93Å; M288-L420 HydrophobicContact CE-CG 3.88Å; M288-L420 HydrophobicContact SD-CD2 4.33Å; F375-L420 HydrophobicContact CD1-CD1 3.9Å; F375-L420 HydrophobicContact CD2-CD1 4.3Å; F375-L420 HydrophobicContact CE1-CD1 3.7Å; F375-L420 HydrophobicContact CE2-CD1 4.1Å; F375-L420 HydrophobicContact CG-CD1 4.22Å; F375-L420 HydrophobicContact CZ-CD1 3.8Å; F379-L420 HydrophobicContact CE2-CD1 3.93Å; F379-L420 HydrophobicContact CE2-CD2 3.75Å; F379-L420 HydrophobicContact CZ-CD1 4.12Å; F379-L420 HydrophobicContact CZ-CD2 4.41Å; A416-L420 VanDerWaalsContact O-CG 3.27Å; A416-L420 WeakPolarHBondContact O-CG 3.32Å; A416-L420 PolarHBondContact O-N 2.75Å; E418-L420 VanDerWaalsContact C-N 3.32Å; E418-L420 PolarHBondContact O-N 3.21Å; L420-L424 WeakPolarHBondContact O-CG 3.11Å; L420-L424 PolarHBondContact O-N 3.44Å; L420-M427 HydrophobicContact CB-CE 4.49Å; L420-M427 HydrophobicContact CD2-CE 3.97Å; L420-F435 HydrophobicContact CB-CD1 4.07Å; L420-F435 HydrophobicContact CB-CE1 3.51Å; L420-F435 HydrophobicContact CB-CZ 3.87Å; L420-W438 HydrophobicContact CD1-CZ3 4.1Å |
| 421 | F | 97.6 | Very high | 96.2 | Very high | 7 Ų | 7 | 17.8 Ų | 17.8 | 3% | 0.031 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.4 | -48 | 179.1 | -175.8 | -91.6 | 0 | 0 | 0 | 112.7 | T417 E418 R423 L424 W455 Q467 L470 I471 | T417-F421 WeakPolarHBondContact O-CB 3.43Å; T417-F421 PolarHBondContact O-N 3.14Å; E418-F421 WeakPolarHBondContact O-CB 3.27Å; E418-F421 PolarHBondContact O-N 3.46Å; E418-F421 VanDerWaalsContact O-N 3.09Å; F421-R423 PolarHBondContact O-N 2.98Å; F421-L424 HydrophobicContact CD2-CD1 3.68Å; F421-L424 HydrophobicContact CE2-CD1 4.06Å; F421-L424 HydrophobicContact CG-CD1 4.24Å; F421-L424 WeakPolarHBondContact O-CB 3.18Å; F421-L424 WeakPolarHBondContact O-CG 3.4Å; F421-L424 PolarHBondContact O-N 2.94Å; F421-W455 HydrophobicContact CB-CZ2 3.9Å; F421-W455 AromaticContact CD1-CD1 3.72Å; F421-W455 HydrophobicContact CD1-CD2 4.24Å; F421-W455 AromaticContact CD1-CE2 3.95Å; F421-W455 HydrophobicContact CD1-CG 4.1Å; F421-W455 AromaticContact CD1-NE1 3.65Å; F421-W455 AromaticContact CD2-CD2 3.77Å; F421-W455 HydrophobicContact CD2-CD2 3.77Å; F421-W455 AromaticContact CD2-CE2 3.64Å; F421-W455 AromaticContact CD2-CE3 3.96Å; F421-W455 HydrophobicContact CD2-CE3 3.96Å; F421-W455 HydrophobicContact CD2-CG 4.38Å; F421-W455 AromaticContact CD2-CH2 3.89Å; F421-W455 HydrophobicContact CD2-CH2 3.89Å; F421-W455 AromaticContact CD2-CZ2 3.71Å; F421-W455 HydrophobicContact CD2-CZ2 3.71Å; F421-W455 HydrophobicContact CD2-CZ3 4.01Å; F421-W455 HydrophobicContact CE1-CB 4.08Å; F421-W455 AromaticContact CE1-CD1 3.7Å; F421-W455 HydrophobicContact CE1-CD2 4.14Å; F421-W455 AromaticContact CE1-CG 3.74Å; F421-W455 HydrophobicContact CE1-CG 3.74Å; F421-W455 HydrophobicContact CE2-CB 4.49Å; F421-W455 AromaticContact CE2-CD2 3.67Å; F421-W455 HydrophobicContact CE2-CD2 3.67Å; F421-W455 AromaticContact CE2-CE3 3.72Å; F421-W455 HydrophobicContact CE2-CE3 3.72Å; F421-W455 HydrophobicContact CE2-CG 4.05Å; F421-W455 HydrophobicContact CE2-CH2 4.46Å; F421-W455 HydrophobicContact CE2-CZ2 4.44Å; F421-W455 HydrophobicContact CE2-CZ3 4.12Å; F421-W455 HydrophobicContact CG-CD2 4.07Å; F421-W455 AromaticContact CG-CE2 3.59Å; F421-W455 HydrophobicContact CG-CG 4.41Å; F421-W455 HydrophobicContact CG-CH2 4.44Å; F421-W455 AromaticContact CG-CZ2 3.81Å; F421-W455 HydrophobicContact CG-CZ2 3.81Å; F421-W455 AromaticContact CG-NE1 3.72Å; F421-W455 HydrophobicContact CZ-CB 3.86Å; F421-W455 AromaticContact CZ-CD2 3.86Å; F421-W455 HydrophobicContact CZ-CD2 3.86Å; F421-W455 HydrophobicContact CZ-CE3 4.25Å; F421-W455 AromaticContact CZ-CG 3.71Å; F421-W455 HydrophobicContact CZ-CG 3.71Å; F421-Q467 HydrophobicContact CE1-CB 4.43Å; F421-Q467 HydrophobicContact CE1-CG 4.18Å; F421-Q467 HydrophobicContact CE2-CB 4.12Å; F421-Q467 HydrophobicContact CE2-CG 4.42Å; F421-Q467 HydrophobicContact CZ-CB 3.76Å; F421-Q467 HydrophobicContact CZ-CG 3.98Å; F421-L470 HydrophobicContact CD2-CD2 4.14Å; F421-L470 HydrophobicContact CE2-CD2 4.3Å; F421-I471 HydrophobicContact CE2-CD1 3.86Å; F421-I471 HydrophobicContact CE2-CG1 4.1Å; F421-I471 HydrophobicContact CZ-CD1 3.96Å |
| 422 | E | 95.9 | Very high | 96.4 | Very high | 86 Ų | 86 | 16.2 Ų | 16.2 | 40% | 0.402 | 8% | 0.083 | S | C | . | . | H | α-helix | trans | -63.9 | -25.6 | 179.6 | -71.1 | -173 | 156.1 | 0 | 0 | 112.6 | E418 | E418-E422 WeakPolarHBondContact O-CG 3.45Å; E418-E422 PolarHBondContact O-N 2.73Å |
| 423 | R | 96.3 | Very high | 96.4 | Very high | 43 Ų | 43 | 16.6 Ų | 16.6 | 16% | 0.162 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 13.3 | 178.6 | -56.9 | 179.9 | -165.7 | 168.6 | 10.2 | 113.7 | W214 P219 H220 M288 V419 F421 D425 | W214-R423 VanDerWaalsContact CD1-O 3.22Å; W214-R423 HydrophobicContact CZ2-CB 4.34Å; W214-R423 VanDerWaalsContact NE1-CB 3.33Å; W214-R423 PolarHBondContact NE1-O 3.08Å; P219-R423 VanDerWaalsContact CG-NH2 3.32Å; H220-R423 PolarHBondContact CD2-NH1 3.38Å; H220-R423 VanDerWaalsContact CD2-NH1 3.32Å; M288-R423 PolarHBondContact O-NH1 3.2Å; M288-R423 PolarHBondContact O-NH2 3.05Å; M288-R423 VanDerWaalsContact O-NH2 3.13Å; V419-R423 WeakPolarHBondContact O-CB 3.28Å; V419-R423 WeakPolarHBondContact O-CG 3.27Å; V419-R423 PolarHBondContact O-N 3.05Å; F421-R423 PolarHBondContact O-N 2.98Å; R423-D425 VanDerWaalsContact C-N 3.3Å; R423-D425 PolarHBondContact O-N 2.97Å |
| 424 | L | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | G | 310 helix | trans | -60.7 | -34.7 | -177.8 | -82.8 | 171.9 | 0 | 0 | 0 | 113.9 | L420 F421 T426 M427 I432 F435 P466 Q467 L470 | L420-L424 WeakPolarHBondContact O-CG 3.11Å; L420-L424 PolarHBondContact O-N 3.44Å; F421-L424 HydrophobicContact CD2-CD1 3.68Å; F421-L424 HydrophobicContact CE2-CD1 4.06Å; F421-L424 HydrophobicContact CG-CD1 4.24Å; F421-L424 WeakPolarHBondContact O-CB 3.18Å; F421-L424 WeakPolarHBondContact O-CG 3.4Å; F421-L424 PolarHBondContact O-N 2.94Å; L424-T426 PolarHBondContact O-N 3.2Å; L424-T426 VanDerWaalsContact O-N 3.08Å; L424-M427 HydrophobicContact CD2-SD 4.2Å; L424-M427 PolarHBondContact O-N 3.43Å; L424-I432 HydrophobicContact CD2-CB 4.44Å; L424-I432 HydrophobicContact CD2-CD1 4.1Å; L424-I432 HydrophobicContact CD2-CG1 3.83Å; L424-I432 HydrophobicContact CD2-CG2 4.04Å; L424-F435 HydrophobicContact CD2-CD1 3.92Å; L424-F435 HydrophobicContact CD2-CE1 4.08Å; L424-F435 HydrophobicContact CG-CE1 4.43Å; L424-P466 HydrophobicContact CB-CB 3.95Å; L424-Q467 HydrophobicContact CB-CG 4.23Å; L424-Q467 HydrophobicContact CD1-CB 4.46Å; L424-Q467 HydrophobicContact CD1-CG 4.13Å; L424-L470 HydrophobicContact CD1-CB 3.99Å; L424-L470 HydrophobicContact CD1-CD1 4Å; L424-L470 HydrophobicContact CD1-CD2 4.46Å; L424-L470 HydrophobicContact CD1-CG 4.36Å; L424-L470 HydrophobicContact CD2-CD1 4Å |
| 425 | D | 94.5 | Very high | 96.4 | Very high | 72 Ų | 72 | 16.8 Ų | 16.8 | 39% | 0.385 | 9% | 0.085 | S | C | . | . | G | 310 helix | trans | -70.6 | -8.8 | -169.9 | -55.5 | -55.7 | 0 | 0 | 0 | 114.1 | R423 P466 Q467 | R423-D425 VanDerWaalsContact C-N 3.3Å; R423-D425 PolarHBondContact O-N 2.97Å; D425-P466 WeakPolarHBondContact OD1-CD 3.41Å; D425-Q467 PolarHBondContact OD2-NE2 3Å |
| 426 | T | 95.7 | Very high | 96.5 | Very high | 51 Ų | 51 | 16 Ų | 16 | 31% | 0.313 | 8% | 0.082 | S | C | . | . | G | 310 helix | trans | -122.3 | 3.9 | 169 | 64.4 | 0 | 0 | 0 | 0 | 113.7 | W214 E215 L424 | W214-T426 CarbonylContact C-O 3.56Å; W214-T426 VanDerWaalsContact CA-O 3.32Å; W214-T426 WeakPolarHBondContact CA-O 3.43Å; E215-T426 PolarHBondContact N-O 3.45Å; L424-T426 PolarHBondContact O-N 3.2Å; L424-T426 VanDerWaalsContact O-N 3.08Å |
| 427 | M | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.099 | C | C | . | . | B | Isolated β-bridge | trans | -76.9 | 133.6 | 177.7 | -175.5 | -177 | -72.1 | 0 | 0 | 110.2 | V213 W214 L420 L424 C431 I432 F966 | V213-M427 HydrophobicContact CG1-CE 4.49Å; V213-M427 HydrophobicContact CG1-CG 4.09Å; V213-M427 CarbonylContact O-C 3.19Å; V213-M427 WeakPolarHBondContact O-CA 3.36Å; W214-M427 HydrophobicContact CZ2-CE 3.63Å; L420-M427 HydrophobicContact CB-CE 4.49Å; L420-M427 HydrophobicContact CD2-CE 3.97Å; L424-M427 HydrophobicContact CD2-SD 4.2Å; L424-M427 PolarHBondContact O-N 3.43Å; M427-C431 HydrophobicContact CG-CB 3.78Å; M427-C431 HydrophobicContact SD-CB 3.83Å; M427-I432 HydrophobicContact CB-CD1 4.28Å; M427-I432 HydrophobicContact CB-CG1 3.95Å; M427-I432 HydrophobicContact CG-CG1 3.85Å; M427-I432 WeakPolarHBondContact O-CD1 3.38Å; M427-I432 HydrophobicContact SD-CG1 3.77Å; M427-F966 WeakPolarHBondContact O-CZ 3.34Å |
| 428 | K | 96.2 | Very high | 96.4 | Very high | 8 Ų | 8 | 19.7 Ų | 19.7 | 4% | 0.035 | 10% | 0.099 | C | C | . | . | trans | -59.2 | 132.2 | 177.2 | -69.8 | -170.2 | -174.8 | -70.4 | 0 | 111.3 | S209 L210 R212 V213 E215 L381 V430 C431 I432 V973 | S209-K428 WeakPolarHBondContact O-CE 3.49Å; S209-K428 PolarHBondContact O-NZ 3.02Å; L210-K428 WeakPolarHBondContact O-CE 3.29Å; R212-K428 WeakPolarHBondContact O-CD 3.21Å; R212-K428 WeakPolarHBondContact O-CE 3.4Å; V213-K428 PolarHBondContact O-N 3.49Å; E215-K428 IonicContact OE1-NZ 3.48Å; E215-K428 PolarHBondContact OE1-NZ 3.08Å; E215-K428 IonicContact OE2-NZ 3.48Å; L381-K428 HydrophobicContact CD1-CD 3.85Å; K428-V430 HydrophobicContact CB-CG1 4.13Å; K428-V430 PolarHBondContact O-N 2.93Å; K428-C431 WeakPolarHBondContact O-CA 3.28Å; K428-C431 WeakPolarHBondContact O-CB 3.25Å; K428-C431 PolarHBondContact O-N 2.89Å; K428-I432 PolarHBondContact O-N 2.84Å; K428-V973 HydrophobicContact CD-CG1 4.2Å | ||
| 429 | P | 96 | Very high | 96.5 | Very high | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.026 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -48.2 | -30.5 | 178.9 | -40.6 | 43 | 0 | 0 | 0 | 117.8 | I432 G433 F966 W967 | P429-I432 PolarHBondContact O-N 2.87Å; P429-G433 PolarHBondContact O-N 3.2Å; P429-F966 HydrophobicContact CG-CD1 4.01Å; P429-F966 HydrophobicContact CG-CE1 3.54Å; P429-F966 HydrophobicContact CG-CZ 3.88Å; P429-W967 HydrophobicContact CB-CE3 3.68Å; P429-W967 HydrophobicContact CB-CZ3 3.68Å; P429-W967 HydrophobicContact CG-CD2 4.37Å; P429-W967 HydrophobicContact CG-CE3 3.98Å; P429-W967 HydrophobicContact CG-CZ3 4.27Å |
| 430 | V | 94.6 | Very high | 96.5 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 3% | 0.03 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.9 | -41.9 | 172.2 | 56.4 | 0 | 0 | 0 | 0 | 111.7 | L381 K428 G433 R434 Q974 | L381-V430 HydrophobicContact CD1-CG1 4.18Å; L381-V430 HydrophobicContact CD2-CG1 3.83Å; L381-V430 HydrophobicContact CD2-CG2 4.38Å; K428-V430 HydrophobicContact CB-CG1 4.13Å; K428-V430 PolarHBondContact O-N 2.93Å; V430-G433 PolarHBondContact O-N 2.86Å; V430-R434 WeakPolarHBondContact O-CG 3.49Å; V430-R434 PolarHBondContact O-N 3.32Å; V430-Q974 HydrophobicContact CB-CB 4.11Å; V430-Q974 HydrophobicContact CB-CG 3.97Å; V430-Q974 HydrophobicContact CG2-CG 3.95Å |
| 431 | C | 96.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -71.7 | -39 | 177.2 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | V213 F379 M427 K428 G433 R434 F435 | V213-C431 HydrophobicContact CG1-CB 4.05Å; F379-C431 HydrophobicContact CB-CB 4.46Å; F379-C431 HydrophobicContact CD1-CB 3.82Å; F379-C431 HydrophobicContact CE1-CB 4.46Å; F379-C431 WeakPolarHBondContact CE1-O 3.48Å; F379-C431 HydrophobicContact CG-CB 4.35Å; M427-C431 HydrophobicContact CG-CB 3.78Å; M427-C431 HydrophobicContact SD-CB 3.83Å; K428-C431 WeakPolarHBondContact O-CA 3.28Å; K428-C431 WeakPolarHBondContact O-CB 3.25Å; K428-C431 PolarHBondContact O-N 2.89Å; C431-G433 VanDerWaalsContact C-N 3.25Å; C431-G433 PolarHBondContact O-N 2.82Å; C431-R434 PolarHBondContact O-N 3.43Å; C431-R434 VanDerWaalsContact O-N 3.08Å; C431-F435 PolarHBondContact O-N 2.92Å |
| 432 | I | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58 | -40.8 | 172.3 | -55.6 | -179.1 | 0 | 0 | 0 | 110.5 | L424 M427 K428 P429 R434 F435 I436 P466 L470 F966 W967 | L424-I432 HydrophobicContact CD2-CB 4.44Å; L424-I432 HydrophobicContact CD2-CD1 4.1Å; L424-I432 HydrophobicContact CD2-CG1 3.83Å; L424-I432 HydrophobicContact CD2-CG2 4.04Å; M427-I432 HydrophobicContact CB-CD1 4.28Å; M427-I432 HydrophobicContact CB-CG1 3.95Å; M427-I432 HydrophobicContact CG-CG1 3.85Å; M427-I432 WeakPolarHBondContact O-CD1 3.38Å; M427-I432 HydrophobicContact SD-CG1 3.77Å; K428-I432 PolarHBondContact O-N 2.84Å; P429-I432 PolarHBondContact O-N 2.87Å; I432-R434 PolarHBondContact O-N 2.9Å; I432-F435 WeakPolarHBondContact O-CB 3.26Å; I432-F435 PolarHBondContact O-N 3.32Å; I432-I436 HydrophobicContact CG2-CD1 4.01Å; I432-I436 WeakPolarHBondContact O-CD1 3.47Å; I432-I436 WeakPolarHBondContact O-CG1 3.43Å; I432-I436 PolarHBondContact O-N 3.48Å; I432-P466 HydrophobicContact CD1-CB 4Å; I432-L470 HydrophobicContact CG2-CB 4.41Å; I432-L470 HydrophobicContact CG2-CD1 4.28Å; I432-F966 HydrophobicContact CD1-CE1 4.09Å; I432-F966 HydrophobicContact CD1-CZ 3.84Å; I432-W967 HydrophobicContact CB-CH2 4.31Å; I432-W967 HydrophobicContact CD1-CH2 4.37Å; I432-W967 HydrophobicContact CD1-CZ2 4.49Å; I432-W967 HydrophobicContact CG2-CH2 3.97Å |
| 433 | G | 95.5 | Very high | 96.5 | Very high | 11 Ų | 11 | 17.8 Ų | 17.8 | 11% | 0.113 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.4 | -45.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | P429 V430 C431 F435 I436 E437 | P429-G433 PolarHBondContact O-N 3.2Å; V430-G433 PolarHBondContact O-N 2.86Å; C431-G433 VanDerWaalsContact C-N 3.25Å; C431-G433 PolarHBondContact O-N 2.82Å; G433-F435 PolarHBondContact O-N 3.19Å; G433-I436 PolarHBondContact O-N 3.1Å; G433-E437 VanDerWaalsContact O-CG 3.24Å; G433-E437 WeakPolarHBondContact O-CG 3.45Å; G433-E437 PolarHBondContact O-N 3.29Å |
| 434 | R | 95.8 | Very high | 96.5 | Very high | 21 Ų | 21 | 17.8 Ų | 17.8 | 8% | 0.079 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | 176.6 | -59.2 | 179.4 | -165.6 | 177.9 | 6 | 112.2 | M378 F379 H380 P382 L391 V430 C431 I432 E437 W438 | M378-R434 WeakPolarHBondContact O-CD 3.27Å; M378-R434 PolarHBondContact O-NH1 3.25Å; F379-R434 HydrophobicContact CD1-CB 4.14Å; F379-R434 HydrophobicContact CE1-CB 4.06Å; H380-R434 PolarHBondContact O-NH1 3.13Å; P382-R434 PolarHBondContact O-NH2 3.27Å; L391-R434 HydrophobicContact CD1-CB 4.1Å; L391-R434 HydrophobicContact CD1-CG 3.9Å; L391-R434 HydrophobicContact CD2-CB 4.36Å; L391-R434 HydrophobicContact CD2-CG 4.17Å; V430-R434 WeakPolarHBondContact O-CG 3.49Å; V430-R434 PolarHBondContact O-N 3.32Å; C431-R434 PolarHBondContact O-N 3.43Å; C431-R434 VanDerWaalsContact O-N 3.08Å; I432-R434 PolarHBondContact O-N 2.9Å; R434-E437 PolarHBondContact O-N 3.43Å; R434-W438 PolarHBondContact O-N 3.48Å |
| 435 | F | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.7 | -48.6 | 173.2 | -175.9 | -177.1 | 0 | 0 | 0 | 110.2 | F379 T417 L420 L424 C431 I432 G433 E437 W438 F439 L470 | F379-F435 HydrophobicContact CE1-CB 4.04Å; F379-F435 HydrophobicContact CZ-CB 4.07Å; T417-F435 HydrophobicContact CG2-CE2 4.24Å; T417-F435 HydrophobicContact CG2-CZ 4.28Å; L420-F435 HydrophobicContact CB-CD1 4.07Å; L420-F435 HydrophobicContact CB-CE1 3.51Å; L420-F435 HydrophobicContact CB-CZ 3.87Å; L424-F435 HydrophobicContact CD2-CD1 3.92Å; L424-F435 HydrophobicContact CD2-CE1 4.08Å; L424-F435 HydrophobicContact CG-CE1 4.43Å; C431-F435 PolarHBondContact O-N 2.92Å; I432-F435 WeakPolarHBondContact O-CB 3.26Å; I432-F435 PolarHBondContact O-N 3.32Å; G433-F435 PolarHBondContact O-N 3.19Å; F435-E437 VanDerWaalsContact C-N 3.3Å; F435-E437 PolarHBondContact O-N 2.92Å; F435-W438 AromaticContact CD2-CE3 3.58Å; F435-W438 HydrophobicContact CD2-CE3 3.58Å; F435-W438 AromaticContact CD2-CZ3 3.48Å; F435-W438 HydrophobicContact CD2-CZ3 3.48Å; F435-W438 VanDerWaalsContact CD2-CZ3 3.48Å; F435-W438 HydrophobicContact CE2-CE3 4.06Å; F435-W438 HydrophobicContact CE2-CH2 4.39Å; F435-W438 AromaticContact CE2-CZ3 3.47Å; F435-W438 HydrophobicContact CE2-CZ3 3.47Å; F435-W438 VanDerWaalsContact CE2-CZ3 3.47Å; F435-W438 PolarHBondContact O-N 3.4Å; F435-F439 HydrophobicContact CD2-CB 3.87Å; F435-F439 HydrophobicContact CE2-CB 3.92Å; F435-F439 HydrophobicContact CE2-CD2 4.39Å; F435-F439 HydrophobicContact CE2-CG 4.08Å; F435-F439 WeakPolarHBondContact O-CB 3.46Å; F435-F439 PolarHBondContact O-N 2.98Å; F435-L470 HydrophobicContact CB-CD1 4.17Å; F435-L470 HydrophobicContact CD1-CD1 3.34Å; F435-L470 HydrophobicContact CD2-CD1 4.05Å; F435-L470 HydrophobicContact CE1-CD1 3.55Å; F435-L470 HydrophobicContact CE2-CD1 4.22Å; F435-L470 HydrophobicContact CG-CD1 3.6Å; F435-L470 HydrophobicContact CZ-CD1 3.99Å |
| 436 | I | 97.1 | Very high | 96.4 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57 | -42.1 | 174.7 | -66 | 157.7 | 0 | 0 | 0 | 111.4 | I432 G433 S440 L470 E473 F781 | I432-I436 HydrophobicContact CG2-CD1 4.01Å; I432-I436 WeakPolarHBondContact O-CD1 3.47Å; I432-I436 WeakPolarHBondContact O-CG1 3.43Å; I432-I436 PolarHBondContact O-N 3.48Å; G433-I436 PolarHBondContact O-N 3.1Å; I436-S440 VanDerWaalsContact O-CB 3.26Å; I436-S440 WeakPolarHBondContact O-CB 3.41Å; I436-S440 PolarHBondContact O-N 3.5Å; I436-S440 VanDerWaalsContact O-N 3.11Å; I436-S440 PolarHBondContact O-OG 3.26Å; I436-L470 HydrophobicContact CG1-CB 4.25Å; I436-L470 HydrophobicContact CG1-CD1 4Å; I436-L470 HydrophobicContact CG1-CG 3.84Å; I436-E473 HydrophobicContact CD1-CB 4.02Å; I436-E473 HydrophobicContact CG2-CB 4.06Å; I436-F781 HydrophobicContact CD1-CE1 3.89Å; I436-F781 HydrophobicContact CD1-CE2 4.3Å; I436-F781 HydrophobicContact CD1-CZ 3.62Å |
| 437 | E | 95.1 | Very high | 96.3 | Very high | 77 Ų | 77 | 25 Ų | 25 | 36% | 0.36 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -64.2 | -51.5 | 177.4 | -61 | -127.2 | 138.9 | 0 | 0 | 112.4 | L391 G433 R434 F435 S440 Y441 R477 | L391-E437 HydrophobicContact CD1-CB 4.2Å; L391-E437 HydrophobicContact CD1-CG 4.39Å; G433-E437 VanDerWaalsContact O-CG 3.24Å; G433-E437 WeakPolarHBondContact O-CG 3.45Å; G433-E437 PolarHBondContact O-N 3.29Å; R434-E437 PolarHBondContact O-N 3.43Å; F435-E437 VanDerWaalsContact C-N 3.3Å; F435-E437 PolarHBondContact O-N 2.92Å; E437-S440 PolarHBondContact O-OG 2.85Å; E437-Y441 WeakPolarHBondContact O-CB 3.43Å; E437-Y441 PolarHBondContact O-N 3.42Å; E437-R477 IonicContact OE1-CZ 3.54Å; E437-R477 IonicContact OE1-NH1 3.98Å; E437-R477 PolarHBondContact OE1-NH1 3.17Å; E437-R477 IonicContact OE1-NH2 3.74Å; E437-R477 PolarHBondContact OE1-NH2 3.45Å; E437-R477 IonicContact OE2-NH2 2.7Å |
| 438 | W | 96.8 | Very high | 96.1 | Very high | 4 Ų | 4 | 25.8 Ų | 25.8 | 2% | 0.015 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -50.1 | 178.5 | 155.8 | 60.7 | 0 | 0 | 0 | 111.9 | F375 M378 L398 L413 T417 L420 R434 F435 S440 Y441 H442 | F375-W438 AromaticContact CE1-CD2 3.94Å; F375-W438 HydrophobicContact CE1-CD2 3.94Å; F375-W438 AromaticContact CE1-CE3 3.6Å; F375-W438 HydrophobicContact CE1-CE3 3.6Å; F375-W438 AromaticContact CE1-CH2 3.91Å; F375-W438 HydrophobicContact CE1-CH2 3.91Å; F375-W438 HydrophobicContact CE1-CZ2 4.21Å; F375-W438 AromaticContact CE1-CZ3 3.56Å; F375-W438 HydrophobicContact CE1-CZ3 3.56Å; F375-W438 HydrophobicContact CZ-CD2 4.41Å; F375-W438 HydrophobicContact CZ-CE3 4.12Å; F375-W438 AromaticContact CZ-CH2 3.52Å; F375-W438 HydrophobicContact CZ-CH2 3.52Å; F375-W438 AromaticContact CZ-CZ2 3.83Å; F375-W438 HydrophobicContact CZ-CZ2 3.83Å; F375-W438 AromaticContact CZ-CZ3 3.65Å; F375-W438 HydrophobicContact CZ-CZ3 3.65Å; M378-W438 HydrophobicContact CE-CB 3.77Å; M378-W438 HydrophobicContact CE-CD2 4.06Å; M378-W438 HydrophobicContact CE-CG 3.58Å; M378-W438 HydrophobicContact SD-CB 3.6Å; M378-W438 VanDerWaalsContact SD-CB 3.6Å; M378-W438 HydrophobicContact SD-CD2 4.39Å; M378-W438 HydrophobicContact SD-CG 3.97Å; L398-W438 HydrophobicContact CD1-CD2 4.47Å; L398-W438 HydrophobicContact CD1-CZ2 4.27Å; L398-W438 VanDerWaalsContact CD1-NE1 3.3Å; L413-W438 HydrophobicContact CD1-CH2 4.25Å; L413-W438 HydrophobicContact CD1-CZ2 3.85Å; L413-W438 HydrophobicContact CG-CZ2 4.44Å; T417-W438 HydrophobicContact CG2-CH2 4.21Å; L420-W438 HydrophobicContact CD1-CZ3 4.1Å; R434-W438 PolarHBondContact O-N 3.48Å; F435-W438 AromaticContact CD2-CE3 3.58Å; F435-W438 HydrophobicContact CD2-CE3 3.58Å; F435-W438 AromaticContact CD2-CZ3 3.48Å; F435-W438 HydrophobicContact CD2-CZ3 3.48Å; F435-W438 VanDerWaalsContact CD2-CZ3 3.48Å; F435-W438 HydrophobicContact CE2-CE3 4.06Å; F435-W438 HydrophobicContact CE2-CH2 4.39Å; F435-W438 AromaticContact CE2-CZ3 3.47Å; F435-W438 HydrophobicContact CE2-CZ3 3.47Å; F435-W438 VanDerWaalsContact CE2-CZ3 3.47Å; F435-W438 PolarHBondContact O-N 3.4Å; W438-S440 PolarHBondContact O-N 3.23Å; W438-Y441 CarbonylContact O-C 3.58Å; W438-Y441 WeakPolarHBondContact O-CB 3.14Å; W438-Y441 PolarHBondContact O-N 2.62Å; W438-Y441 VanDerWaalsContact O-N 3.15Å; W438-H442 WeakPolarHBondContact O-CB 3.39Å; W438-H442 PolarHBondContact O-N 3.3Å |
| 439 | F | 97.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | -173.5 | -176.2 | -120.5 | 0 | 0 | 0 | 111.3 | T417 F435 Y441 H442 L443 W450 W452 W455 T474 | T417-F439 HydrophobicContact CG2-CD2 4.05Å; T417-F439 HydrophobicContact CG2-CE2 3.76Å; T417-F439 HydrophobicContact CG2-CZ 4.49Å; F435-F439 HydrophobicContact CD2-CB 3.87Å; F435-F439 HydrophobicContact CE2-CB 3.92Å; F435-F439 HydrophobicContact CE2-CD2 4.39Å; F435-F439 HydrophobicContact CE2-CG 4.08Å; F435-F439 WeakPolarHBondContact O-CB 3.46Å; F435-F439 PolarHBondContact O-N 2.98Å; F439-Y441 VanDerWaalsContact C-N 3.31Å; F439-Y441 PolarHBondContact O-N 3.28Å; F439-H442 PolarHBondContact O-N 3.49Å; F439-L443 HydrophobicContact CD1-CD1 4.15Å; F439-L443 HydrophobicContact CD2-CG 4.31Å; F439-L443 HydrophobicContact CE1-CD1 3.68Å; F439-L443 HydrophobicContact CE1-CG 4.41Å; F439-L443 HydrophobicContact CE2-CD1 4.14Å; F439-L443 HydrophobicContact CE2-CD2 4.06Å; F439-L443 HydrophobicContact CE2-CG 4.04Å; F439-L443 HydrophobicContact CZ-CD1 3.67Å; F439-L443 HydrophobicContact CZ-CD2 4.23Å; F439-L443 HydrophobicContact CZ-CG 4.1Å; F439-L443 WeakPolarHBondContact O-CB 3.23Å; F439-L443 WeakPolarHBondContact O-CG 3.44Å; F439-L443 PolarHBondContact O-N 2.87Å; F439-W450 HydrophobicContact CE2-CD2 4.02Å; F439-W450 HydrophobicContact CE2-CE3 4.13Å; F439-W450 HydrophobicContact CE2-CG 4.49Å; F439-W450 HydrophobicContact CE2-CZ2 4.44Å; F439-W450 HydrophobicContact CE2-CZ3 4.39Å; F439-W450 AromaticContact CZ-CD1 3.84Å; F439-W450 AromaticContact CZ-CD2 3.75Å; F439-W450 HydrophobicContact CZ-CD2 3.75Å; F439-W450 AromaticContact CZ-CE2 3.82Å; F439-W450 HydrophobicContact CZ-CE3 4.31Å; F439-W450 AromaticContact CZ-CG 3.81Å; F439-W450 HydrophobicContact CZ-CG 3.81Å; F439-W450 HydrophobicContact CZ-CZ2 4.46Å; F439-W450 AromaticContact CZ-NE1 3.84Å; F439-W452 HydrophobicContact CE1-CH2 4.15Å; F439-W452 HydrophobicContact CE1-CZ3 4.42Å; F439-W455 AromaticContact CE1-CH2 3.63Å; F439-W455 HydrophobicContact CE1-CH2 3.63Å; F439-W455 AromaticContact CE1-CZ3 3.7Å; F439-W455 HydrophobicContact CE1-CZ3 3.7Å; F439-W455 HydrophobicContact CE2-CH2 4.29Å; F439-W455 AromaticContact CZ-CH2 3.49Å; F439-W455 HydrophobicContact CZ-CH2 3.49Å; F439-W455 VanDerWaalsContact CZ-CH2 3.49Å; F439-W455 AromaticContact CZ-CZ3 3.89Å; F439-W455 HydrophobicContact CZ-CZ3 3.89Å; F439-T474 HydrophobicContact CD1-CG2 3.75Å; F439-T474 HydrophobicContact CE1-CG2 4.04Å |
| 440 | S | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.1 | -32.2 | 173.9 | 62.2 | 0 | 0 | 0 | 0 | 113.4 | I436 E437 W438 S444 R477 L478 F481 | I436-S440 VanDerWaalsContact O-CB 3.26Å; I436-S440 WeakPolarHBondContact O-CB 3.41Å; I436-S440 PolarHBondContact O-N 3.5Å; I436-S440 VanDerWaalsContact O-N 3.11Å; I436-S440 PolarHBondContact O-OG 3.26Å; E437-S440 PolarHBondContact O-OG 2.85Å; W438-S440 PolarHBondContact O-N 3.23Å; S440-S444 PolarHBondContact O-N 3.1Å; S440-S444 PolarHBondContact O-OG 3.46Å; S440-R477 WeakPolarHBondContact OG-CD 3.5Å; S440-R477 PolarHBondContact OG-NE 3Å; S440-L478 WeakPolarHBondContact O-CD2 3.34Å; S440-F481 WeakPolarHBondContact O-CE2 3.15Å |
| 441 | Y | 96.4 | Very high | 95.8 | Very high | 52 Ų | 52 | 35.3 Ų | 35.3 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -72.2 | -42.1 | 171.3 | 172.9 | -96.9 | 0 | 0 | 0 | 112.5 | L392 V399 E437 W438 F439 S444 N445 | L392-Y441 HydrophobicContact CD1-CD2 4.15Å; L392-Y441 HydrophobicContact CD1-CE1 4.2Å; L392-Y441 HydrophobicContact CD1-CE2 3.57Å; V399-Y441 HydrophobicContact CG2-CE1 4.42Å; E437-Y441 WeakPolarHBondContact O-CB 3.43Å; E437-Y441 PolarHBondContact O-N 3.42Å; W438-Y441 CarbonylContact O-C 3.58Å; W438-Y441 WeakPolarHBondContact O-CB 3.14Å; W438-Y441 PolarHBondContact O-N 2.62Å; W438-Y441 VanDerWaalsContact O-N 3.15Å; F439-Y441 VanDerWaalsContact C-N 3.31Å; F439-Y441 PolarHBondContact O-N 3.28Å; Y441-S444 PolarHBondContact O-N 3.23Å; Y441-S444 PolarHBondContact O-OG 3.02Å; Y441-N445 PolarHBondContact O-N 2.85Å; Y441-N445 PolarHBondContact O-ND2 3.15Å |
| 442 | H | 96.7 | Very high | 95.7 | Very high | 21 Ų | 21 | 35.7 Ų | 35.7 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.2 | -49.2 | 178.4 | -175.3 | 80.3 | 0 | 0 | 0 | 110.4 | L413 W438 F439 S444 N445 Y446 | L413-H442 VanDerWaalsContact CD2-CE1 3.49Å; L413-H442 WeakPolarHBondContact CD2-CE1 3.45Å; W438-H442 WeakPolarHBondContact O-CB 3.39Å; W438-H442 PolarHBondContact O-N 3.3Å; F439-H442 PolarHBondContact O-N 3.49Å; H442-S444 VanDerWaalsContact C-N 3.29Å; H442-S444 PolarHBondContact O-N 2.82Å; H442-N445 PolarHBondContact O-N 2.97Å; H442-Y446 AromaticContact CE1-CD2 3.75Å; H442-Y446 AromaticContact CE1-CE2 3.36Å; H442-Y446 WeakPolarHBondContact CE1-CE2 3.43Å; H442-Y446 AromaticContact ND1-CE2 3.79Å; H442-Y446 AromaticContact NE2-CD2 3.71Å; H442-Y446 AromaticContact NE2-CE2 3.76Å; H442-Y446 WeakPolarHBondContact O-CD2 3.26Å; H442-Y446 PolarHBondContact O-N 2.97Å |
| 443 | L | 96.9 | Very high | 95.6 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -60.2 | -33.8 | 176 | -67.5 | -174.6 | 0 | 0 | 0 | 113.2 | F439 N445 Y446 L448 Q449 W450 W452 T474 L478 | F439-L443 HydrophobicContact CD1-CD1 4.15Å; F439-L443 HydrophobicContact CD2-CG 4.31Å; F439-L443 HydrophobicContact CE1-CD1 3.68Å; F439-L443 HydrophobicContact CE1-CG 4.41Å; F439-L443 HydrophobicContact CE2-CD1 4.14Å; F439-L443 HydrophobicContact CE2-CD2 4.06Å; F439-L443 HydrophobicContact CE2-CG 4.04Å; F439-L443 HydrophobicContact CZ-CD1 3.67Å; F439-L443 HydrophobicContact CZ-CD2 4.23Å; F439-L443 HydrophobicContact CZ-CG 4.1Å; F439-L443 WeakPolarHBondContact O-CB 3.23Å; F439-L443 WeakPolarHBondContact O-CG 3.44Å; F439-L443 PolarHBondContact O-N 2.87Å; L443-N445 PolarHBondContact O-N 2.98Å; L443-Y446 CarbonylContact O-C 3.58Å; L443-Y446 PolarHBondContact O-N 3.41Å; L443-Y446 VanDerWaalsContact O-N 3.16Å; L443-L448 VanDerWaalsContact O-CA 3.23Å; L443-L448 WeakPolarHBondContact O-CA 3.47Å; L443-L448 PolarHBondContact O-N 2.96Å; L443-Q449 WeakPolarHBondContact CD2-O 3.31Å; L443-W450 HydrophobicContact CD1-CB 4.27Å; L443-W450 HydrophobicContact CD2-CB 3.92Å; L443-W450 HydrophobicContact CD2-CE3 4.29Å; L443-W450 HydrophobicContact CD2-CG 4.49Å; L443-W452 HydrophobicContact CD1-CH2 3.93Å; L443-W452 HydrophobicContact CD1-CZ2 3.77Å; L443-T474 HydrophobicContact CD1-CG2 4.4Å; L443-L478 HydrophobicContact CB-CD2 3.98Å; L443-L478 HydrophobicContact CD1-CD1 4.05Å; L443-L478 HydrophobicContact CD1-CD2 4.36Å |
| 444 | S | 96.3 | Very high | 95.4 | Very high | 44 Ų | 44 | 44.3 Ų | 44.3 | 31% | 0.308 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -71.7 | -16.5 | 176.8 | 67.2 | 0 | 0 | 0 | 0 | 114 | S440 Y441 H442 | S440-S444 PolarHBondContact O-N 3.1Å; S440-S444 PolarHBondContact O-OG 3.46Å; Y441-S444 PolarHBondContact O-N 3.23Å; Y441-S444 PolarHBondContact O-OG 3.02Å; H442-S444 VanDerWaalsContact C-N 3.29Å; H442-S444 PolarHBondContact O-N 2.82Å |
| 445 | N | 95.3 | Very high | 95.5 | Very high | 65 Ų | 65 | 43.4 Ų | 43.4 | 35% | 0.348 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -84.7 | -26.4 | 168.3 | -70.4 | -100.5 | 0 | 0 | 0 | 112.5 | V399 Y441 H442 L443 | V399-N445 HydrophobicContact CG2-CB 4.21Å; Y441-N445 PolarHBondContact O-N 2.85Å; Y441-N445 PolarHBondContact O-ND2 3.15Å; H442-N445 PolarHBondContact O-N 2.97Å; L443-N445 PolarHBondContact O-N 2.98Å |
| 446 | Y | 94.6 | Very high | 95.3 | Very high | 78 Ų | 78 | 45.6 Ų | 45.6 | 31% | 0.306 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 50.7 | -180 | -65.6 | -75.5 | 0 | 0 | 0 | 113.1 | V399 C402 H442 L443 L448 Q449 | V399-Y446 HydrophobicContact CG2-CE2 4.29Å; C402-Y446 VanDerWaalsContact CB-OH 3.22Å; C402-Y446 WeakPolarHBondContact CB-OH 3.41Å; H442-Y446 AromaticContact CE1-CD2 3.75Å; H442-Y446 AromaticContact CE1-CE2 3.36Å; H442-Y446 WeakPolarHBondContact CE1-CE2 3.43Å; H442-Y446 AromaticContact ND1-CE2 3.79Å; H442-Y446 AromaticContact NE2-CD2 3.71Å; H442-Y446 AromaticContact NE2-CE2 3.76Å; H442-Y446 WeakPolarHBondContact O-CD2 3.26Å; H442-Y446 PolarHBondContact O-N 2.97Å; L443-Y446 CarbonylContact O-C 3.58Å; L443-Y446 PolarHBondContact O-N 3.41Å; L443-Y446 VanDerWaalsContact O-N 3.16Å; Y446-L448 PolarHBondContact O-N 3.41Å; Y446-Q449 PolarHBondContact O-N 3.32Å |
| 447 | Q | 94 | Very high | 95.2 | Very high | 132 Ų | 132 | 48.3 Ų | 48.3 | 62% | 0.617 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 28.2 | 173.7 | -57.8 | 81.9 | 17.5 | 0 | 0 | 115.2 | Q449 | Q447-Q449 HydrophobicContact CB-CG 4.34Å; Q447-Q449 PolarHBondContact O-N 3.02Å |
| 448 | L | 93.1 | Very high | 95.1 | Very high | 15 Ų | 15 | 44.6 Ų | 44.6 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 21.1 | -176.8 | -48.3 | 168.6 | 0 | 0 | 0 | 114.3 | L443 Y446 L478 V487 L490 | L443-L448 VanDerWaalsContact O-CA 3.23Å; L443-L448 WeakPolarHBondContact O-CA 3.47Å; L443-L448 PolarHBondContact O-N 2.96Å; Y446-L448 PolarHBondContact O-N 3.41Å; L448-L478 HydrophobicContact CD2-CB 4.26Å; L448-L478 HydrophobicContact CD2-CD1 4.32Å; L448-L478 HydrophobicContact CD2-CD2 3.85Å; L448-L478 HydrophobicContact CD2-CG 4.34Å; L448-V487 HydrophobicContact CD1-CG2 4.29Å; L448-L490 HydrophobicContact CB-CD1 3.8Å; L448-L490 HydrophobicContact CD1-CD1 4.21Å |
| 449 | Q | 92.1 | Very high | 94.9 | Very high | 119 Ų | 119 | 45.8 Ų | 45.8 | 56% | 0.556 | 23% | 0.229 | S | C | * | . | trans | -86.4 | 125.2 | -176.7 | -60.5 | -166 | 25.7 | 0 | 0 | 112.6 | L443 Y446 Q447 | L443-Q449 WeakPolarHBondContact CD2-O 3.31Å; Y446-Q449 PolarHBondContact O-N 3.32Å; Q447-Q449 HydrophobicContact CB-CG 4.34Å; Q447-Q449 PolarHBondContact O-N 3.02Å | ||
| 450 | W | 95 | Very high | 94.6 | Very high | 54 Ų | 54 | 51.8 Ų | 51.8 | 21% | 0.205 | 27% | 0.266 | C | S | . | . | trans | -145 | 156.9 | 168.7 | -172.4 | -117.8 | 0 | 0 | 0 | 111.2 | T417 F439 L443 W452 W455 | T417-W450 HydrophobicContact CG2-CH2 3.72Å; T417-W450 HydrophobicContact CG2-CZ2 3.75Å; F439-W450 HydrophobicContact CE2-CD2 4.02Å; F439-W450 HydrophobicContact CE2-CE3 4.13Å; F439-W450 HydrophobicContact CE2-CG 4.49Å; F439-W450 HydrophobicContact CE2-CZ2 4.44Å; F439-W450 HydrophobicContact CE2-CZ3 4.39Å; F439-W450 AromaticContact CZ-CD1 3.84Å; F439-W450 AromaticContact CZ-CD2 3.75Å; F439-W450 HydrophobicContact CZ-CD2 3.75Å; F439-W450 AromaticContact CZ-CE2 3.82Å; F439-W450 HydrophobicContact CZ-CE3 4.31Å; F439-W450 AromaticContact CZ-CG 3.81Å; F439-W450 HydrophobicContact CZ-CG 3.81Å; F439-W450 HydrophobicContact CZ-CZ2 4.46Å; F439-W450 AromaticContact CZ-NE1 3.84Å; L443-W450 HydrophobicContact CD1-CB 4.27Å; L443-W450 HydrophobicContact CD2-CB 3.92Å; L443-W450 HydrophobicContact CD2-CE3 4.29Å; L443-W450 HydrophobicContact CD2-CG 4.49Å; W450-W452 HydrophobicContact CB-CD2 4.17Å; W450-W452 HydrophobicContact CB-CG 4.46Å; W450-W452 HydrophobicContact CB-CZ2 4.02Å; W450-W452 AromaticContact CD1-CD2 4Å; W450-W452 AromaticContact CD1-CE3 3.94Å; W450-W452 PolarHBondContact O-N 3.27Å; W450-W455 AromaticContact CD1-CZ3 3.91Å; W450-W455 AromaticContact CE2-CH2 3.9Å; W450-W455 AromaticContact CE2-CZ2 3.73Å; W450-W455 HydrophobicContact CZ2-CH2 4.2Å; W450-W455 AromaticContact CZ2-CZ2 3.69Å; W450-W455 HydrophobicContact CZ2-CZ2 3.69Å; W450-W455 AromaticContact NE1-CD2 3.74Å; W450-W455 AromaticContact NE1-CE2 3.48Å; W450-W455 AromaticContact NE1-CE3 3.72Å; W450-W455 AromaticContact NE1-CH2 3.29Å; W450-W455 VanDerWaalsContact NE1-CH2 3.29Å; W450-W455 AromaticContact NE1-CZ2 3.27Å; W450-W455 VanDerWaalsContact NE1-CZ2 3.27Å; W450-W455 AromaticContact NE1-CZ3 3.51Å | ||
| 451 | S | 94.3 | Very high | 94.4 | Very high | 44 Ų | 44 | 54.1 Ų | 54.1 | 31% | 0.308 | 28% | 0.278 | S | S | . | . | trans | -77.6 | 50.5 | 176.9 | -68.3 | 0 | 0 | 0 | 0 | 113 | K453 E454 | S451-K453 PolarHBondContact O-N 3.33Å; S451-E454 WeakPolarHBondContact CB-OE1 3.39Å; S451-E454 WeakPolarHBondContact O-CB 3.36Å; S451-E454 PolarHBondContact O-N 2.67Å; S451-E454 PolarHBondContact OG-OE1 3.25Å | ||
| 452 | W | 95.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 52.8 Ų | 52.8 | 3% | 0.03 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -44.5 | -37 | -174.1 | -60.2 | 106.4 | 0 | 0 | 0 | 115.1 | F439 L443 W450 E454 W455 I471 T474 L475 L478 L491 P492 F495 | F439-W452 HydrophobicContact CE1-CH2 4.15Å; F439-W452 HydrophobicContact CE1-CZ3 4.42Å; L443-W452 HydrophobicContact CD1-CH2 3.93Å; L443-W452 HydrophobicContact CD1-CZ2 3.77Å; W450-W452 HydrophobicContact CB-CD2 4.17Å; W450-W452 HydrophobicContact CB-CG 4.46Å; W450-W452 HydrophobicContact CB-CZ2 4.02Å; W450-W452 AromaticContact CD1-CD2 4Å; W450-W452 AromaticContact CD1-CE3 3.94Å; W450-W452 PolarHBondContact O-N 3.27Å; W452-E454 PolarHBondContact O-N 3.24Å; W452-E454 VanDerWaalsContact O-N 3.08Å; W452-W455 HydrophobicContact CE3-CE3 4.26Å; W452-W455 HydrophobicContact CE3-CZ3 4.46Å; W452-W455 HydrophobicContact CZ3-CE3 4.27Å; W452-W455 HydrophobicContact CZ3-CZ3 4.07Å; W452-W455 PolarHBondContact O-N 3.21Å; W452-W455 VanDerWaalsContact O-N 3.1Å; W452-I471 HydrophobicContact CE3-CG2 4.46Å; W452-I471 HydrophobicContact CZ3-CG2 4.14Å; W452-T474 HydrophobicContact CH2-CG2 4.03Å; W452-L475 HydrophobicContact CH2-CD2 3.92Å; W452-L475 HydrophobicContact CZ2-CD2 4.04Å; W452-L475 HydrophobicContact CZ3-CD2 4.4Å; W452-L478 HydrophobicContact CH2-CD1 4.41Å; W452-L478 HydrophobicContact CZ2-CD1 3.98Å; W452-L491 HydrophobicContact CD2-CD2 3.85Å; W452-L491 HydrophobicContact CG-CD2 3.83Å; W452-L491 HydrophobicContact CZ2-CD2 4.48Å; W452-P492 HydrophobicContact CB-CG 3.97Å; W452-F495 HydrophobicContact CB-CD2 4.38Å; W452-F495 HydrophobicContact CB-CE2 4.3Å; W452-F495 HydrophobicContact CB-CZ 4.43Å; W452-F495 WeakPolarHBondContact O-CE2 3.37Å; W452-F495 WeakPolarHBondContact O-CZ 3.42Å |
| 453 | K | 94.5 | Very high | 93.8 | Very high | 151 Ų | 151 | 53 Ų | 53 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -54.8 | -27.5 | 177.1 | -64.8 | -173.4 | -179.6 | 179.3 | 0 | 113.8 | S451 W455 S456 P492 | S451-K453 PolarHBondContact O-N 3.33Å; K453-W455 VanDerWaalsContact C-N 3.27Å; K453-W455 PolarHBondContact O-N 3.09Å; K453-S456 WeakPolarHBondContact O-CB 3.2Å; K453-S456 PolarHBondContact O-N 3.35Å; K453-S456 PolarHBondContact O-OG 3.26Å; K453-P492 HydrophobicContact CG-CB 4.14Å; K453-P492 HydrophobicContact CG-CG 3.7Å |
| 454 | E | 92.6 | Very high | 93.5 | Very high | 41 Ų | 41 | 53 Ų | 53 | 19% | 0.192 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -78.8 | -17.5 | -173.9 | -52.3 | -166.9 | -71.1 | 0 | 0 | 111 | S451 W452 K619 R622 | S451-E454 WeakPolarHBondContact CB-OE1 3.39Å; S451-E454 WeakPolarHBondContact O-CB 3.36Å; S451-E454 PolarHBondContact O-N 2.67Å; S451-E454 PolarHBondContact OG-OE1 3.25Å; W452-E454 PolarHBondContact O-N 3.24Å; W452-E454 VanDerWaalsContact O-N 3.08Å; E454-K619 VanDerWaalsContact OE2-CE 3.28Å; E454-K619 WeakPolarHBondContact OE2-CE 3.49Å; E454-K619 WeakPolarHBondContact OE2-CG 3.42Å; E454-R622 VanDerWaalsContact CD-CZ 3.45Å; E454-R622 VanDerWaalsContact CD-NH2 3.29Å; E454-R622 IonicContact OE1-CZ 2.78Å; E454-R622 VanDerWaalsContact OE1-CZ 3.28Å; E454-R622 IonicContact OE1-NH1 3.23Å; E454-R622 PolarHBondContact OE1-NH1 2.69Å; E454-R622 VanDerWaalsContact OE1-NH1 3.15Å; E454-R622 IonicContact OE1-NH2 3.63Å; E454-R622 PolarHBondContact OE1-NH2 3.11Å; E454-R622 IonicContact OE2-CZ 2.92Å; E454-R622 IonicContact OE2-NH1 2.7Å; E454-R622 PolarHBondContact OE2-NH1 2.93Å; E454-R622 IonicContact OE2-NH2 3.11Å |
| 455 | W | 96.1 | Very high | 93.4 | Very high | 3 Ų | 3 | 51.1 Ų | 51.1 | 1% | 0.011 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -95.7 | 15 | 170.1 | -61.9 | -13.9 | 0 | 0 | 0 | 114.4 | T417 E418 F421 F439 W450 W452 K453 S457 S458 L470 I471 | T417-W455 HydrophobicContact CG2-CH2 4.41Å; T417-W455 HydrophobicContact CG2-CZ2 4.22Å; E418-W455 PolarHBondContact OE2-NE1 3.29Å; F421-W455 HydrophobicContact CB-CZ2 3.9Å; F421-W455 AromaticContact CD1-CD1 3.72Å; F421-W455 HydrophobicContact CD1-CD2 4.24Å; F421-W455 AromaticContact CD1-CE2 3.95Å; F421-W455 HydrophobicContact CD1-CG 4.1Å; F421-W455 AromaticContact CD1-NE1 3.65Å; F421-W455 AromaticContact CD2-CD2 3.77Å; F421-W455 HydrophobicContact CD2-CD2 3.77Å; F421-W455 AromaticContact CD2-CE2 3.64Å; F421-W455 AromaticContact CD2-CE3 3.96Å; F421-W455 HydrophobicContact CD2-CE3 3.96Å; F421-W455 HydrophobicContact CD2-CG 4.38Å; F421-W455 AromaticContact CD2-CH2 3.89Å; F421-W455 HydrophobicContact CD2-CH2 3.89Å; F421-W455 AromaticContact CD2-CZ2 3.71Å; F421-W455 HydrophobicContact CD2-CZ2 3.71Å; F421-W455 HydrophobicContact CD2-CZ3 4.01Å; F421-W455 HydrophobicContact CE1-CB 4.08Å; F421-W455 AromaticContact CE1-CD1 3.7Å; F421-W455 HydrophobicContact CE1-CD2 4.14Å; F421-W455 AromaticContact CE1-CG 3.74Å; F421-W455 HydrophobicContact CE1-CG 3.74Å; F421-W455 HydrophobicContact CE2-CB 4.49Å; F421-W455 AromaticContact CE2-CD2 3.67Å; F421-W455 HydrophobicContact CE2-CD2 3.67Å; F421-W455 AromaticContact CE2-CE3 3.72Å; F421-W455 HydrophobicContact CE2-CE3 3.72Å; F421-W455 HydrophobicContact CE2-CG 4.05Å; F421-W455 HydrophobicContact CE2-CH2 4.46Å; F421-W455 HydrophobicContact CE2-CZ2 4.44Å; F421-W455 HydrophobicContact CE2-CZ3 4.12Å; F421-W455 HydrophobicContact CG-CD2 4.07Å; F421-W455 AromaticContact CG-CE2 3.59Å; F421-W455 HydrophobicContact CG-CG 4.41Å; F421-W455 HydrophobicContact CG-CH2 4.44Å; F421-W455 AromaticContact CG-CZ2 3.81Å; F421-W455 HydrophobicContact CG-CZ2 3.81Å; F421-W455 AromaticContact CG-NE1 3.72Å; F421-W455 HydrophobicContact CZ-CB 3.86Å; F421-W455 AromaticContact CZ-CD2 3.86Å; F421-W455 HydrophobicContact CZ-CD2 3.86Å; F421-W455 HydrophobicContact CZ-CE3 4.25Å; F421-W455 AromaticContact CZ-CG 3.71Å; F421-W455 HydrophobicContact CZ-CG 3.71Å; F439-W455 AromaticContact CE1-CH2 3.63Å; F439-W455 HydrophobicContact CE1-CH2 3.63Å; F439-W455 AromaticContact CE1-CZ3 3.7Å; F439-W455 HydrophobicContact CE1-CZ3 3.7Å; F439-W455 HydrophobicContact CE2-CH2 4.29Å; F439-W455 AromaticContact CZ-CH2 3.49Å; F439-W455 HydrophobicContact CZ-CH2 3.49Å; F439-W455 VanDerWaalsContact CZ-CH2 3.49Å; F439-W455 AromaticContact CZ-CZ3 3.89Å; F439-W455 HydrophobicContact CZ-CZ3 3.89Å; W450-W455 AromaticContact CD1-CZ3 3.91Å; W450-W455 AromaticContact CE2-CH2 3.9Å; W450-W455 AromaticContact CE2-CZ2 3.73Å; W450-W455 HydrophobicContact CZ2-CH2 4.2Å; W450-W455 AromaticContact CZ2-CZ2 3.69Å; W450-W455 HydrophobicContact CZ2-CZ2 3.69Å; W450-W455 AromaticContact NE1-CD2 3.74Å; W450-W455 AromaticContact NE1-CE2 3.48Å; W450-W455 AromaticContact NE1-CE3 3.72Å; W450-W455 AromaticContact NE1-CH2 3.29Å; W450-W455 VanDerWaalsContact NE1-CH2 3.29Å; W450-W455 AromaticContact NE1-CZ2 3.27Å; W450-W455 VanDerWaalsContact NE1-CZ2 3.27Å; W450-W455 AromaticContact NE1-CZ3 3.51Å; W452-W455 HydrophobicContact CE3-CE3 4.26Å; W452-W455 HydrophobicContact CE3-CZ3 4.46Å; W452-W455 HydrophobicContact CZ3-CE3 4.27Å; W452-W455 HydrophobicContact CZ3-CZ3 4.07Å; W452-W455 PolarHBondContact O-N 3.21Å; W452-W455 VanDerWaalsContact O-N 3.1Å; K453-W455 VanDerWaalsContact C-N 3.27Å; K453-W455 PolarHBondContact O-N 3.09Å; W455-S457 PolarHBondContact O-N 3.28Å; W455-S458 WeakPolarHBondContact O-CB 3.38Å; W455-S458 PolarHBondContact O-N 3.1Å; W455-S458 PolarHBondContact O-OG 3.46Å; W455-L470 HydrophobicContact CH2-CD2 4.49Å; W455-L470 HydrophobicContact CZ3-CD2 4.23Å; W455-I471 HydrophobicContact CB-CD1 4.22Å; W455-I471 HydrophobicContact CE3-CD1 3.93Å; W455-I471 HydrophobicContact CE3-CG1 3.87Å; W455-I471 HydrophobicContact CZ3-CG1 4.22Å |
| 456 | S | 95.5 | Very high | 93.4 | Very high | 45 Ų | 45 | 48.1 Ų | 48.1 | 32% | 0.315 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -59.9 | -17.9 | -174 | -61.8 | 0 | 0 | 0 | 0 | 115.1 | K453 S458 L459 | K453-S456 WeakPolarHBondContact O-CB 3.2Å; K453-S456 PolarHBondContact O-N 3.35Å; K453-S456 PolarHBondContact O-OG 3.26Å; S456-S458 PolarHBondContact O-N 3.38Å; S456-L459 WeakPolarHBondContact O-CB 3.07Å; S456-L459 WeakPolarHBondContact O-CD1 3.33Å; S456-L459 WeakPolarHBondContact O-CG 3.45Å; S456-L459 PolarHBondContact O-N 3.13Å |
| 457 | S | 94.1 | Very high | 93.5 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 41% | 0.413 | 24% | 0.239 | S | C | . | . | G | 310 helix | trans | -60.3 | -27.2 | 171.8 | 43 | 0 | 0 | 0 | 0 | 113.2 | W455 L459 T460 | W455-S457 PolarHBondContact O-N 3.28Å; S457-L459 PolarHBondContact O-N 3.47Å; S457-T460 PolarHBondContact O-OG1 2.92Å |
| 458 | S | 93.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -69.1 | -15.9 | 177.6 | 63 | 0 | 0 | 0 | 0 | 114.2 | W455 S456 T460 L461 K468 I471 M498 | W455-S458 WeakPolarHBondContact O-CB 3.38Å; W455-S458 PolarHBondContact O-N 3.1Å; W455-S458 PolarHBondContact O-OG 3.46Å; S456-S458 PolarHBondContact O-N 3.38Å; S458-T460 VanDerWaalsContact C-N 3.33Å; S458-T460 PolarHBondContact O-N 3.31Å; S458-L461 PolarHBondContact O-N 3.38Å; S458-K468 WeakPolarHBondContact O-CD 3.43Å; S458-I471 WeakPolarHBondContact OG-CD1 3.32Å; S458-M498 VanDerWaalsContact O-CE 3.3Å; S458-M498 WeakPolarHBondContact O-CE 3.2Å; S458-M498 WeakPolarHBondContact OG-CE 3.43Å |
| 459 | L | 93.1 | Very high | 93.6 | Very high | 28 Ų | 28 | 40.2 Ų | 40.2 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -64 | -39.1 | -177.2 | -66.1 | 168.6 | 0 | 0 | 0 | 111.7 | S456 S457 K468 S494 F495 I497 M498 | S456-L459 WeakPolarHBondContact O-CB 3.07Å; S456-L459 WeakPolarHBondContact O-CD1 3.33Å; S456-L459 WeakPolarHBondContact O-CG 3.45Å; S456-L459 PolarHBondContact O-N 3.13Å; S457-L459 PolarHBondContact O-N 3.47Å; L459-K468 PolarHBondContact O-NZ 3.32Å; L459-S494 WeakPolarHBondContact CD2-O 3.44Å; L459-F495 HydrophobicContact CD1-CE2 4.22Å; L459-F495 HydrophobicContact CD1-CZ 4.41Å; L459-F495 HydrophobicContact CD2-CD1 4.04Å; L459-F495 HydrophobicContact CD2-CD2 4.43Å; L459-F495 HydrophobicContact CD2-CE1 4.08Å; L459-F495 HydrophobicContact CD2-CE2 4.47Å; L459-F495 HydrophobicContact CD2-CG 4.21Å; L459-F495 HydrophobicContact CD2-CZ 4.29Å; L459-F495 HydrophobicContact CG-CE1 4.49Å; L459-F495 HydrophobicContact CG-CZ 4.32Å; L459-I497 HydrophobicContact CD2-CD1 4.14Å; L459-I497 HydrophobicContact CD2-CG1 4.17Å; L459-M498 HydrophobicContact CD2-CE 3.8Å; L459-M498 HydrophobicContact CD2-CG 4.25Å; L459-M498 HydrophobicContact CD2-SD 3.78Å; L459-M498 HydrophobicContact CG-CE 4.35Å |
| 460 | T | 91.9 | Very high | 93.8 | Very high | 127 Ų | 127 | 34.6 Ų | 34.6 | 78% | 0.779 | 19% | 0.187 | S | C | * | . | G | 310 helix | trans | -86.9 | -8.1 | -175.9 | 48.4 | 0 | 0 | 0 | 0 | 114.8 | S457 S458 | S457-T460 PolarHBondContact O-OG1 2.92Å; S458-T460 VanDerWaalsContact C-N 3.33Å; S458-T460 PolarHBondContact O-N 3.31Å |
| 461 | L | 92.5 | Very high | 93.9 | Very high | 48 Ų | 48 | 32 Ų | 32 | 25% | 0.251 | 18% | 0.177 | S | C | . | . | S | Bend | trans | -72.2 | 160.4 | -179.5 | -57.8 | 178.2 | 0 | 0 | 0 | 112.1 | S458 S465 Q467 K468 | S458-L461 PolarHBondContact O-N 3.38Å; L461-S465 WeakPolarHBondContact CD1-OG 3.47Å; L461-Q467 HydrophobicContact CD1-CB 4.02Å; L461-Q467 HydrophobicContact CD1-CG 4.45Å; L461-K468 HydrophobicContact CB-CD 4.48Å; L461-K468 WeakPolarHBondContact O-CD 3.5Å; L461-K468 WeakPolarHBondContact O-CE 3.4Å; L461-K468 PolarHBondContact O-NZ 2.92Å |
| 462 | D | 90.5 | Very high | 94 | Very high | 25 Ų | 25 | 31.2 Ų | 31.2 | 13% | 0.134 | 17% | 0.171 | C | C | . | . | trans | -51.8 | 141.4 | 170.2 | 164.9 | 78.8 | 0 | 0 | 0 | 112.6 | M464 S465 E959 A960 N963 | D462-M464 PolarHBondContact O-N 3.41Å; D462-M464 VanDerWaalsContact OD2-CA 3.24Å; D462-M464 WeakPolarHBondContact OD2-CA 3.44Å; D462-M464 VanDerWaalsContact OD2-CB 3.26Å; D462-M464 WeakPolarHBondContact OD2-CB 3.33Å; D462-M464 PolarHBondContact OD2-N 2.93Å; D462-S465 WeakPolarHBondContact O-CB 3.49Å; D462-S465 PolarHBondContact O-N 3.01Å; D462-S465 PolarHBondContact OD2-N 3.32Å; D462-E959 HydrophobicContact CB-CG 4.13Å; D462-E959 VanDerWaalsContact CB-OE1 3.27Å; D462-E959 WeakPolarHBondContact CB-OE1 3.45Å; D462-A960 WeakPolarHBondContact OD1-CB 3.35Å; D462-N963 PolarHBondContact OD2-ND2 2.68Å | ||
| 463 | P | 88.1 | Confident | 94 | Very high | 24 Ų | 24 | 31.8 Ų | 31.8 | 16% | 0.156 | 17% | 0.174 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -22 | -179.3 | -28.2 | 36.2 | 0 | 0 | 0 | 116.4 | R469 A772 N773 | P463-R469 WeakPolarHBondContact O-CD 3.47Å; P463-A772 WeakPolarHBondContact CG-O 3.31Å; P463-N773 WeakPolarHBondContact CB-OD1 3.42Å; P463-N773 WeakPolarHBondContact CG-OD1 3.31Å |
| 464 | M | 91 | Very high | 94.1 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.015 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.6 | -4.4 | 176.5 | -69.1 | -62.7 | -69.2 | 0 | 0 | 113.6 | D462 R469 R775 L779 N963 I964 W967 | D462-M464 PolarHBondContact O-N 3.41Å; D462-M464 VanDerWaalsContact OD2-CA 3.24Å; D462-M464 WeakPolarHBondContact OD2-CA 3.44Å; D462-M464 VanDerWaalsContact OD2-CB 3.26Å; D462-M464 WeakPolarHBondContact OD2-CB 3.33Å; D462-M464 PolarHBondContact OD2-N 2.93Å; M464-R469 WeakPolarHBondContact O-CG 3.47Å; M464-R775 HydrophobicContact CG-CB 4.06Å; M464-R775 HydrophobicContact SD-CB 3.94Å; M464-R775 WeakPolarHBondContact SD-CD 3.41Å; M464-R775 HydrophobicContact SD-CG 4.32Å; M464-L779 HydrophobicContact CE-CB 3.82Å; M464-L779 HydrophobicContact CE-CD1 3.43Å; M464-L779 VanDerWaalsContact CE-CD1 3.43Å; M464-L779 HydrophobicContact CE-CG 4.28Å; M464-N963 HydrophobicContact CB-CB 3.64Å; M464-I964 HydrophobicContact CE-CG1 4.48Å; M464-I964 HydrophobicContact CG-CG1 4.08Å; M464-W967 HydrophobicContact CE-CB 4.15Å; M464-W967 HydrophobicContact CE-CG 3.92Å; M464-W967 PolarHBondContact O-NE1 3.17Å |
| 465 | S | 94.5 | Very high | 94.3 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 4% | 0.035 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -51.5 | 133.3 | 172.5 | 168.1 | 0 | 0 | 0 | 0 | 111.6 | L461 D462 Q467 K468 R469 N963 | L461-S465 WeakPolarHBondContact CD1-OG 3.47Å; D462-S465 WeakPolarHBondContact O-CB 3.49Å; D462-S465 PolarHBondContact O-N 3.01Å; D462-S465 PolarHBondContact OD2-N 3.32Å; S465-Q467 VanDerWaalsContact C-N 3.3Å; S465-Q467 PolarHBondContact O-N 3.32Å; S465-K468 PolarHBondContact O-N 3.33Å; S465-R469 WeakPolarHBondContact O-CG 3.49Å; S465-R469 PolarHBondContact O-N 2.89Å; S465-N963 PolarHBondContact N-ND2 2.91Å |
| 466 | P | 96.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.013 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -49.2 | -43.7 | 178.6 | -35.2 | 42.4 | 0 | 0 | 0 | 114.8 | L424 D425 I432 L470 F966 | L424-P466 HydrophobicContact CB-CB 3.95Å; D425-P466 WeakPolarHBondContact OD1-CD 3.41Å; I432-P466 HydrophobicContact CD1-CB 4Å; P466-L470 WeakPolarHBondContact O-CB 3.49Å; P466-L470 PolarHBondContact O-N 3.5Å; P466-F966 HydrophobicContact CB-CE1 4.3Å; P466-F966 HydrophobicContact CB-CZ 4.38Å; P466-F966 HydrophobicContact CG-CD1 4.02Å; P466-F966 HydrophobicContact CG-CE1 3.43Å; P466-F966 VanDerWaalsContact CG-CE1 3.43Å; P466-F966 HydrophobicContact CG-CE2 4.43Å; P466-F966 HydrophobicContact CG-CZ 3.65Å |
| 467 | Q | 96.5 | Very high | 94.2 | Very high | 25 Ų | 25 | 24.1 Ų | 24.1 | 12% | 0.117 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 176.7 | -62.5 | -176.1 | 23.4 | 0 | 0 | 112.4 | F421 L424 D425 L461 S465 L470 I471 | F421-Q467 HydrophobicContact CE1-CB 4.43Å; F421-Q467 HydrophobicContact CE1-CG 4.18Å; F421-Q467 HydrophobicContact CE2-CB 4.12Å; F421-Q467 HydrophobicContact CE2-CG 4.42Å; F421-Q467 HydrophobicContact CZ-CB 3.76Å; F421-Q467 HydrophobicContact CZ-CG 3.98Å; L424-Q467 HydrophobicContact CB-CG 4.23Å; L424-Q467 HydrophobicContact CD1-CB 4.46Å; L424-Q467 HydrophobicContact CD1-CG 4.13Å; D425-Q467 PolarHBondContact OD2-NE2 3Å; L461-Q467 HydrophobicContact CD1-CB 4.02Å; L461-Q467 HydrophobicContact CD1-CG 4.45Å; S465-Q467 VanDerWaalsContact C-N 3.3Å; S465-Q467 PolarHBondContact O-N 3.32Å; Q467-L470 PolarHBondContact O-N 3.26Å; Q467-I471 WeakPolarHBondContact O-CG1 3.21Å; Q467-I471 PolarHBondContact O-N 2.89Å |
| 468 | K | 94.8 | Very high | 94.3 | Very high | 33 Ų | 33 | 21.4 Ų | 21.4 | 14% | 0.143 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -71.8 | -36.2 | -178.4 | -169.4 | 160.1 | -179.3 | 168.6 | 0 | 112 | S458 L459 L461 S465 T472 M498 | S458-K468 WeakPolarHBondContact O-CD 3.43Å; L459-K468 PolarHBondContact O-NZ 3.32Å; L461-K468 HydrophobicContact CB-CD 4.48Å; L461-K468 WeakPolarHBondContact O-CD 3.5Å; L461-K468 WeakPolarHBondContact O-CE 3.4Å; L461-K468 PolarHBondContact O-NZ 2.92Å; S465-K468 PolarHBondContact O-N 3.33Å; K468-T472 WeakPolarHBondContact O-CB 3.3Å; K468-T472 WeakPolarHBondContact O-CG2 3.4Å; K468-T472 PolarHBondContact O-N 3.2Å; K468-T472 PolarHBondContact O-OG1 3.28Å; K468-M498 HydrophobicContact CB-CE 4.5Å; K468-M498 HydrophobicContact CD-CE 4.32Å; K468-M498 HydrophobicContact CG-CE 3.87Å |
| 469 | R | 94.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 0% | 0.004 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -65.8 | -42.8 | 172 | -67.5 | -66.5 | -73.4 | 123.7 | -8.4 | 111.8 | P463 M464 S465 I471 T472 E473 L779 W967 | P463-R469 WeakPolarHBondContact O-CD 3.47Å; M464-R469 WeakPolarHBondContact O-CG 3.47Å; S465-R469 WeakPolarHBondContact O-CG 3.49Å; S465-R469 PolarHBondContact O-N 2.89Å; R469-I471 PolarHBondContact O-N 2.77Å; R469-T472 WeakPolarHBondContact CA-OG1 3.42Å; R469-T472 PolarHBondContact O-OG1 3.34Å; R469-E473 IonicContact CZ-OE1 2.83Å; R469-E473 VanDerWaalsContact CZ-OE1 3.27Å; R469-E473 VanDerWaalsContact NH1-CG 3.33Å; R469-E473 IonicContact NH1-OE1 2.67Å; R469-E473 PolarHBondContact NH1-OE1 3.03Å; R469-E473 IonicContact NH2-OE1 3.81Å; R469-E473 PolarHBondContact NH2-OE1 3.39Å; R469-E473 WeakPolarHBondContact O-CB 3.19Å; R469-E473 WeakPolarHBondContact O-CG 3.35Å; R469-E473 PolarHBondContact O-N 2.95Å; R469-L779 PolarHBondContact NH2-O 2.78Å; R469-W967 HydrophobicContact CB-CH2 4.38Å; R469-W967 HydrophobicContact CB-CZ2 3.61Å; R469-W967 HydrophobicContact CG-CZ2 3.96Å |
| 470 | L | 96.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.2 | 177.8 | 137 | 0 | 0 | 0 | 111.9 | F421 L424 I432 F435 I436 W455 P466 Q467 T474 | F421-L470 HydrophobicContact CD2-CD2 4.14Å; F421-L470 HydrophobicContact CE2-CD2 4.3Å; L424-L470 HydrophobicContact CD1-CB 3.99Å; L424-L470 HydrophobicContact CD1-CD1 4Å; L424-L470 HydrophobicContact CD1-CD2 4.46Å; L424-L470 HydrophobicContact CD1-CG 4.36Å; L424-L470 HydrophobicContact CD2-CD1 4Å; I432-L470 HydrophobicContact CG2-CB 4.41Å; I432-L470 HydrophobicContact CG2-CD1 4.28Å; F435-L470 HydrophobicContact CB-CD1 4.17Å; F435-L470 HydrophobicContact CD1-CD1 3.34Å; F435-L470 HydrophobicContact CD2-CD1 4.05Å; F435-L470 HydrophobicContact CE1-CD1 3.55Å; F435-L470 HydrophobicContact CE2-CD1 4.22Å; F435-L470 HydrophobicContact CG-CD1 3.6Å; F435-L470 HydrophobicContact CZ-CD1 3.99Å; I436-L470 HydrophobicContact CG1-CB 4.25Å; I436-L470 HydrophobicContact CG1-CD1 4Å; I436-L470 HydrophobicContact CG1-CG 3.84Å; W455-L470 HydrophobicContact CH2-CD2 4.49Å; W455-L470 HydrophobicContact CZ3-CD2 4.23Å; P466-L470 WeakPolarHBondContact O-CB 3.49Å; P466-L470 PolarHBondContact O-N 3.5Å; Q467-L470 PolarHBondContact O-N 3.26Å; L470-T474 WeakPolarHBondContact O-CB 3.12Å; L470-T474 PolarHBondContact O-N 3.48Å; L470-T474 PolarHBondContact O-OG1 3.23Å |
| 471 | I | 96.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66.4 | -51.1 | 180 | -64.8 | 163.2 | 0 | 0 | 0 | 110.6 | F421 W452 W455 S458 Q467 R469 E473 T474 L475 F495 M498 | F421-I471 HydrophobicContact CE2-CD1 3.86Å; F421-I471 HydrophobicContact CE2-CG1 4.1Å; F421-I471 HydrophobicContact CZ-CD1 3.96Å; W452-I471 HydrophobicContact CE3-CG2 4.46Å; W452-I471 HydrophobicContact CZ3-CG2 4.14Å; W455-I471 HydrophobicContact CB-CD1 4.22Å; W455-I471 HydrophobicContact CE3-CD1 3.93Å; W455-I471 HydrophobicContact CE3-CG1 3.87Å; W455-I471 HydrophobicContact CZ3-CG1 4.22Å; S458-I471 WeakPolarHBondContact OG-CD1 3.32Å; Q467-I471 WeakPolarHBondContact O-CG1 3.21Å; Q467-I471 PolarHBondContact O-N 2.89Å; R469-I471 PolarHBondContact O-N 2.77Å; I471-E473 PolarHBondContact O-N 3.34Å; I471-T474 WeakPolarHBondContact O-CB 2.92Å; I471-T474 PolarHBondContact O-N 3.17Å; I471-T474 VanDerWaalsContact O-N 3.17Å; I471-L475 HydrophobicContact CG2-CD1 4.3Å; I471-L475 HydrophobicContact CG2-CG 4.39Å; I471-L475 WeakPolarHBondContact O-CG 3.4Å; I471-L475 PolarHBondContact O-N 3.45Å; I471-F495 HydrophobicContact CD1-CE1 4.42Å; I471-F495 HydrophobicContact CG2-CD1 4.37Å; I471-F495 HydrophobicContact CG2-CE1 4.49Å; I471-M498 HydrophobicContact CB-SD 4.17Å; I471-M498 HydrophobicContact CD1-CE 4.38Å; I471-M498 HydrophobicContact CD1-SD 4.42Å; I471-M498 HydrophobicContact CG2-SD 3.58Å; I471-M498 VanDerWaalsContact CG2-SD 3.58Å |
| 472 | T | 94.9 | Very high | 94.7 | Very high | 28 Ų | 28 | 22.6 Ų | 22.6 | 17% | 0.172 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | -178.9 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | K468 R469 L475 C476 M498 | K468-T472 WeakPolarHBondContact O-CB 3.3Å; K468-T472 WeakPolarHBondContact O-CG2 3.4Å; K468-T472 PolarHBondContact O-N 3.2Å; K468-T472 PolarHBondContact O-OG1 3.28Å; R469-T472 WeakPolarHBondContact CA-OG1 3.42Å; R469-T472 PolarHBondContact O-OG1 3.34Å; T472-L475 PolarHBondContact O-N 3.21Å; T472-C476 PolarHBondContact O-N 2.82Å; T472-C476 PolarHBondContact O-SG 3.27Å; T472-M498 HydrophobicContact CG2-CB 4Å; T472-M498 HydrophobicContact CG2-CG 4.19Å |
| 473 | E | 95.5 | Very high | 94.9 | Very high | 20 Ų | 20 | 28.5 Ų | 28.5 | 9% | 0.093 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -72.2 | -29.9 | 177.7 | -62.5 | -71.3 | -176.7 | 0 | 0 | 112.9 | I436 R469 I471 C476 R477 F781 | I436-E473 HydrophobicContact CD1-CB 4.02Å; I436-E473 HydrophobicContact CG2-CB 4.06Å; R469-E473 IonicContact CZ-OE1 2.83Å; R469-E473 VanDerWaalsContact CZ-OE1 3.27Å; R469-E473 VanDerWaalsContact NH1-CG 3.33Å; R469-E473 IonicContact NH1-OE1 2.67Å; R469-E473 PolarHBondContact NH1-OE1 3.03Å; R469-E473 IonicContact NH2-OE1 3.81Å; R469-E473 PolarHBondContact NH2-OE1 3.39Å; R469-E473 WeakPolarHBondContact O-CB 3.19Å; R469-E473 WeakPolarHBondContact O-CG 3.35Å; R469-E473 PolarHBondContact O-N 2.95Å; I471-E473 PolarHBondContact O-N 3.34Å; E473-C476 WeakPolarHBondContact O-CB 3.29Å; E473-C476 PolarHBondContact O-N 3.29Å; E473-R477 WeakPolarHBondContact O-CG 3.43Å; E473-R477 PolarHBondContact O-N 3.22Å; E473-R477 VanDerWaalsContact O-N 3.07Å; E473-F781 HydrophobicContact CG-CB 4.49Å; E473-F781 HydrophobicContact CG-CD2 3.61Å; E473-F781 HydrophobicContact CG-CE2 3.99Å; E473-F781 HydrophobicContact CG-CG 4.09Å; E473-F781 WeakPolarHBondContact OE1-CD2 3.4Å |
| 474 | T | 96.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61 | -49.3 | 169.3 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | F439 L443 W452 L470 I471 C476 R477 L478 | F439-T474 HydrophobicContact CD1-CG2 3.75Å; F439-T474 HydrophobicContact CE1-CG2 4.04Å; L443-T474 HydrophobicContact CD1-CG2 4.4Å; W452-T474 HydrophobicContact CH2-CG2 4.03Å; L470-T474 WeakPolarHBondContact O-CB 3.12Å; L470-T474 PolarHBondContact O-N 3.48Å; L470-T474 PolarHBondContact O-OG1 3.23Å; I471-T474 WeakPolarHBondContact O-CB 2.92Å; I471-T474 PolarHBondContact O-N 3.17Å; I471-T474 VanDerWaalsContact O-N 3.17Å; T474-C476 VanDerWaalsContact C-N 3.33Å; T474-C476 PolarHBondContact O-N 3.47Å; T474-R477 CarbonylContact O-C 3.41Å; T474-R477 PolarHBondContact O-N 3.08Å; T474-L478 HydrophobicContact CG2-CD1 4.44Å; T474-L478 HydrophobicContact CG2-CD2 4.44Å; T474-L478 HydrophobicContact CG2-CG 4.19Å; T474-L478 WeakPolarHBondContact O-CG 3.34Å; T474-L478 PolarHBondContact O-N 2.93Å |
| 475 | L | 96.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 178.5 | -62.4 | -175 | 0 | 0 | 0 | 111.9 | W452 I471 T472 R477 L478 I479 V487 L491 M498 L499 | W452-L475 HydrophobicContact CH2-CD2 3.92Å; W452-L475 HydrophobicContact CZ2-CD2 4.04Å; W452-L475 HydrophobicContact CZ3-CD2 4.4Å; I471-L475 HydrophobicContact CG2-CD1 4.3Å; I471-L475 HydrophobicContact CG2-CG 4.39Å; I471-L475 WeakPolarHBondContact O-CG 3.4Å; I471-L475 PolarHBondContact O-N 3.45Å; T472-L475 PolarHBondContact O-N 3.21Å; L475-R477 VanDerWaalsContact C-N 3.3Å; L475-R477 PolarHBondContact O-N 3.34Å; L475-L478 HydrophobicContact CD2-CD1 4.23Å; L475-L478 PolarHBondContact O-N 2.85Å; L475-I479 WeakPolarHBondContact O-CD1 3.46Å; L475-I479 VanDerWaalsContact O-CG1 3.28Å; L475-I479 WeakPolarHBondContact O-CG1 3.29Å; L475-I479 PolarHBondContact O-N 3.06Å; L475-V487 HydrophobicContact CD2-CG1 4.21Å; L475-L491 HydrophobicContact CD1-CD1 3.81Å; L475-L491 HydrophobicContact CD1-CD2 4.41Å; L475-L491 HydrophobicContact CD2-CD1 4.01Å; L475-L491 HydrophobicContact CD2-CD2 3.94Å; L475-L491 HydrophobicContact CD2-CG 4.46Å; L475-M498 HydrophobicContact CD1-CB 4.18Å; L475-L499 HydrophobicContact CD1-CD2 4.3Å |
| 476 | C | 94.9 | Very high | 95.7 | Very high | 30 Ų | 30 | 34 Ų | 34 | 20% | 0.203 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -52.3 | -47.3 | 169.5 | -69.3 | 0 | 0 | 0 | 0 | 111.8 | T472 E473 T474 I479 R480 | T472-C476 PolarHBondContact O-N 2.82Å; T472-C476 PolarHBondContact O-SG 3.27Å; E473-C476 WeakPolarHBondContact O-CB 3.29Å; E473-C476 PolarHBondContact O-N 3.29Å; T474-C476 VanDerWaalsContact C-N 3.33Å; T474-C476 PolarHBondContact O-N 3.47Å; C476-I479 PolarHBondContact O-N 3.22Å; C476-R480 WeakPolarHBondContact O-CG 3.29Å; C476-R480 PolarHBondContact O-N 2.88Å; C476-R480 VanDerWaalsContact O-N 3.15Å |
| 477 | R | 94.9 | Very high | 95.7 | Very high | 48 Ų | 48 | 34.1 Ų | 34.1 | 18% | 0.181 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -73.2 | -36.3 | 179.9 | -66.7 | -179.2 | 81.6 | 112.2 | -7 | 113.4 | E437 S440 E473 T474 L475 I479 R480 F481 | E437-R477 IonicContact OE1-CZ 3.54Å; E437-R477 IonicContact OE1-NH1 3.98Å; E437-R477 PolarHBondContact OE1-NH1 3.17Å; E437-R477 IonicContact OE1-NH2 3.74Å; E437-R477 PolarHBondContact OE1-NH2 3.45Å; E437-R477 IonicContact OE2-NH2 2.7Å; S440-R477 WeakPolarHBondContact OG-CD 3.5Å; S440-R477 PolarHBondContact OG-NE 3Å; E473-R477 WeakPolarHBondContact O-CG 3.43Å; E473-R477 PolarHBondContact O-N 3.22Å; E473-R477 VanDerWaalsContact O-N 3.07Å; T474-R477 CarbonylContact O-C 3.41Å; T474-R477 PolarHBondContact O-N 3.08Å; L475-R477 VanDerWaalsContact C-N 3.3Å; L475-R477 PolarHBondContact O-N 3.34Å; R477-I479 PolarHBondContact O-N 3.01Å; R477-R480 WeakPolarHBondContact O-CB 3.47Å; R477-R480 PolarHBondContact O-N 2.97Å; R477-R480 VanDerWaalsContact O-N 3.08Å; R477-F481 HydrophobicContact CB-CE2 4.47Å; R477-F481 VanDerWaalsContact O-CD2 3.23Å; R477-F481 WeakPolarHBondContact O-CD2 3.16Å; R477-F481 PolarHBondContact O-N 2.73Å |
| 478 | L | 96.3 | Very high | 95.7 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.4 | -34.9 | 172.5 | -60.8 | -166.3 | 0 | 0 | 0 | 111.5 | S440 L443 L448 W452 T474 L475 F481 S482 V487 | S440-L478 WeakPolarHBondContact O-CD2 3.34Å; L443-L478 HydrophobicContact CB-CD2 3.98Å; L443-L478 HydrophobicContact CD1-CD1 4.05Å; L443-L478 HydrophobicContact CD1-CD2 4.36Å; L448-L478 HydrophobicContact CD2-CB 4.26Å; L448-L478 HydrophobicContact CD2-CD1 4.32Å; L448-L478 HydrophobicContact CD2-CD2 3.85Å; L448-L478 HydrophobicContact CD2-CG 4.34Å; W452-L478 HydrophobicContact CH2-CD1 4.41Å; W452-L478 HydrophobicContact CZ2-CD1 3.98Å; T474-L478 HydrophobicContact CG2-CD1 4.44Å; T474-L478 HydrophobicContact CG2-CD2 4.44Å; T474-L478 HydrophobicContact CG2-CG 4.19Å; T474-L478 WeakPolarHBondContact O-CG 3.34Å; T474-L478 PolarHBondContact O-N 2.93Å; L475-L478 HydrophobicContact CD2-CD1 4.23Å; L475-L478 PolarHBondContact O-N 2.85Å; L478-F481 PolarHBondContact O-N 2.97Å; L478-S482 VanDerWaalsContact O-CB 3.27Å; L478-S482 WeakPolarHBondContact O-CB 3.21Å; L478-S482 PolarHBondContact O-N 2.78Å; L478-S482 VanDerWaalsContact O-N 3.11Å; L478-V487 HydrophobicContact CB-CG1 4.25Å; L478-V487 HydrophobicContact CB-CG2 3.95Å |
| 479 | I | 96 | Very high | 95.7 | Very high | 18 Ų | 18 | 41.7 Ų | 41.7 | 9% | 0.092 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69.2 | -39.4 | 173.9 | -66 | 162.4 | 0 | 0 | 0 | 110.9 | L475 C476 R477 F481 S482 Y484 V487 L499 P500 P503 | L475-I479 WeakPolarHBondContact O-CD1 3.46Å; L475-I479 VanDerWaalsContact O-CG1 3.28Å; L475-I479 WeakPolarHBondContact O-CG1 3.29Å; L475-I479 PolarHBondContact O-N 3.06Å; C476-I479 PolarHBondContact O-N 3.22Å; R477-I479 PolarHBondContact O-N 3.01Å; I479-F481 VanDerWaalsContact C-N 3.28Å; I479-F481 PolarHBondContact O-N 3.08Å; I479-S482 CarbonylContact O-C 3.51Å; I479-S482 VanDerWaalsContact O-C 3.25Å; I479-S482 PolarHBondContact O-N 2.97Å; I479-S482 VanDerWaalsContact O-N 3.14Å; I479-Y484 HydrophobicContact CD1-CD2 3.94Å; I479-V487 HydrophobicContact CG1-CB 3.98Å; I479-V487 HydrophobicContact CG1-CG1 4.2Å; I479-V487 HydrophobicContact CG1-CG2 3.8Å; I479-L499 HydrophobicContact CD1-CD2 4.21Å; I479-P500 HydrophobicContact CD1-CG 3.45Å; I479-P500 VanDerWaalsContact CD1-CG 3.45Å; I479-P503 HydrophobicContact CG2-CG 4.26Å |
| 480 | R | 94.4 | Very high | 95.6 | Very high | 69 Ų | 69 | 44.2 Ų | 44.2 | 26% | 0.26 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -63.2 | -30.9 | 172.6 | -61 | -175.3 | -171.4 | -171.3 | 2.7 | 113 | C476 R477 Q730 E785 | C476-R480 WeakPolarHBondContact O-CG 3.29Å; C476-R480 PolarHBondContact O-N 2.88Å; C476-R480 VanDerWaalsContact O-N 3.15Å; R477-R480 WeakPolarHBondContact O-CB 3.47Å; R477-R480 PolarHBondContact O-N 2.97Å; R477-R480 VanDerWaalsContact O-N 3.08Å; R480-Q730 HydrophobicContact CG-CB 4.33Å; R480-Q730 HydrophobicContact CG-CG 4.42Å; R480-E785 IonicContact CZ-OE2 2.98Å; R480-E785 VanDerWaalsContact CZ-OE2 3.32Å; R480-E785 VanDerWaalsContact NH1-CD 3.35Å; R480-E785 IonicContact NH1-OE1 2.77Å; R480-E785 PolarHBondContact NH1-OE1 3.4Å; R480-E785 VanDerWaalsContact NH1-OE1 3.11Å; R480-E785 IonicContact NH1-OE2 2.77Å; R480-E785 PolarHBondContact NH1-OE2 2.94Å; R480-E785 IonicContact NH2-OE2 3.56Å; R480-E785 PolarHBondContact NH2-OE2 3.47Å |
| 481 | F | 94.4 | Very high | 95.5 | Very high | 99 Ų | 99 | 44.8 Ų | 44.8 | 43% | 0.434 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.4 | 174.7 | -67.7 | -50.6 | 0 | 0 | 0 | 114 | S440 R477 L478 I479 | S440-F481 WeakPolarHBondContact O-CE2 3.15Å; R477-F481 HydrophobicContact CB-CE2 4.47Å; R477-F481 VanDerWaalsContact O-CD2 3.23Å; R477-F481 WeakPolarHBondContact O-CD2 3.16Å; R477-F481 PolarHBondContact O-N 2.73Å; L478-F481 PolarHBondContact O-N 2.97Å; I479-F481 VanDerWaalsContact C-N 3.28Å; I479-F481 PolarHBondContact O-N 3.08Å |
| 482 | S | 95.2 | Very high | 95.5 | Very high | 42 Ų | 42 | 46 Ų | 46 | 29% | 0.294 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -150.9 | -129.3 | -171.8 | -163.1 | 0 | 0 | 0 | 0 | 110.2 | L478 I479 N486 | L478-S482 VanDerWaalsContact O-CB 3.27Å; L478-S482 WeakPolarHBondContact O-CB 3.21Å; L478-S482 PolarHBondContact O-N 2.78Å; L478-S482 VanDerWaalsContact O-N 3.11Å; I479-S482 CarbonylContact O-C 3.51Å; I479-S482 VanDerWaalsContact O-C 3.25Å; I479-S482 PolarHBondContact O-N 2.97Å; I479-S482 VanDerWaalsContact O-N 3.14Å; S482-N486 PolarHBondContact OG-ND2 3.21Å |
| 483 | Y | 94.6 | Very high | 95.5 | Very high | 150 Ų | 150 | 53 Ų | 53 | 59% | 0.588 | 24% | 0.237 | S | C | * | . | trans | -150.6 | 155.2 | 169.6 | 55.5 | -82.9 | 0 | 0 | 0 | 110.7 | E485 N486 V487 | Y483-E485 HydrophobicContact CD2-CB 4.37Å; Y483-E485 HydrophobicContact CE2-CB 4.46Å; Y483-E485 PolarHBondContact O-N 2.95Å; Y483-N486 HydrophobicContact CD1-CB 4.16Å; Y483-N486 HydrophobicContact CD2-CB 4Å; Y483-N486 HydrophobicContact CE1-CB 3.89Å; Y483-N486 HydrophobicContact CE2-CB 3.73Å; Y483-N486 HydrophobicContact CG-CB 4.21Å; Y483-N486 WeakPolarHBondContact O-CB 3.27Å; Y483-N486 PolarHBondContact O-N 2.81Å; Y483-V487 PolarHBondContact O-N 3.44Å | ||
| 484 | Y | 96.3 | Very high | 95.4 | Very high | 39 Ų | 39 | 54.8 Ų | 54.8 | 15% | 0.153 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -49.9 | -51.5 | -169.7 | 178 | -100.6 | 0 | 0 | 0 | 114 | I479 N486 V487 K488 L499 P500 Q502 | I479-Y484 HydrophobicContact CD1-CD2 3.94Å; Y484-N486 VanDerWaalsContact C-N 3.3Å; Y484-N486 PolarHBondContact O-N 3.32Å; Y484-V487 PolarHBondContact O-N 3.06Å; Y484-K488 HydrophobicContact CD1-CD 4.25Å; Y484-K488 HydrophobicContact CE1-CD 3.53Å; Y484-K488 VanDerWaalsContact O-CB 3.26Å; Y484-K488 WeakPolarHBondContact O-CB 3.2Å; Y484-K488 PolarHBondContact O-N 2.71Å; Y484-L499 HydrophobicContact CE2-CB 4.33Å; Y484-L499 HydrophobicContact CE2-CD1 4.41Å; Y484-L499 HydrophobicContact CE2-CD2 4.42Å; Y484-P500 WeakPolarHBondContact CE2-O 3.33Å; Y484-Q502 HydrophobicContact CD1-CB 4.1Å; Y484-Q502 HydrophobicContact CD1-CG 3.82Å; Y484-Q502 HydrophobicContact CD2-CB 4.46Å; Y484-Q502 HydrophobicContact CE1-CB 4.13Å; Y484-Q502 HydrophobicContact CE1-CG 4.28Å; Y484-Q502 HydrophobicContact CE2-CB 4.5Å; Y484-Q502 HydrophobicContact CG-CB 4.28Å; Y484-Q502 HydrophobicContact CG-CG 4.03Å |
| 485 | E | 96.8 | Very high | 95.4 | Very high | 84 Ų | 84 | 54.8 Ų | 54.8 | 39% | 0.393 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.8 | -27.2 | -178.4 | -64.3 | -57.4 | 147.9 | 0 | 0 | 113.5 | Y483 K488 R489 | Y483-E485 HydrophobicContact CD2-CB 4.37Å; Y483-E485 HydrophobicContact CE2-CB 4.46Å; Y483-E485 PolarHBondContact O-N 2.95Å; E485-K488 IonicContact OE1-NZ 2.69Å; E485-K488 PolarHBondContact OE1-NZ 3.14Å; E485-K488 WeakPolarHBondContact OE2-CD 3.37Å; E485-K488 WeakPolarHBondContact OE2-CE 3.23Å; E485-K488 IonicContact OE2-NZ 3.23Å; E485-K488 PolarHBondContact OE2-NZ 3.27Å; E485-R489 WeakPolarHBondContact O-CB 3.47Å; E485-R489 PolarHBondContact O-N 3.06Å |
| 486 | N | 96 | Very high | 95.3 | Very high | 25 Ų | 25 | 59.2 Ų | 59.2 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -71.4 | -44.8 | 175.7 | -170.1 | 37.9 | 0 | 0 | 0 | 111.8 | S482 Y483 Y484 R489 L490 | S482-N486 PolarHBondContact OG-ND2 3.21Å; Y483-N486 HydrophobicContact CD1-CB 4.16Å; Y483-N486 HydrophobicContact CD2-CB 4Å; Y483-N486 HydrophobicContact CE1-CB 3.89Å; Y483-N486 HydrophobicContact CE2-CB 3.73Å; Y483-N486 HydrophobicContact CG-CB 4.21Å; Y483-N486 WeakPolarHBondContact O-CB 3.27Å; Y483-N486 PolarHBondContact O-N 2.81Å; Y484-N486 VanDerWaalsContact C-N 3.3Å; Y484-N486 PolarHBondContact O-N 3.32Å; N486-R489 PolarHBondContact O-N 2.93Å; N486-R489 PolarHBondContact OD1-NE 3.43Å; N486-R489 PolarHBondContact OD1-NH2 2.64Å; N486-L490 WeakPolarHBondContact O-CG 3.46Å; N486-L490 PolarHBondContact O-N 2.69Å |
| 487 | V | 96.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.018 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.9 | -46.3 | 176.8 | 179.6 | 0 | 0 | 0 | 0 | 110.2 | L448 L475 L478 I479 Y483 Y484 R489 L490 L491 L499 | L448-V487 HydrophobicContact CD1-CG2 4.29Å; L475-V487 HydrophobicContact CD2-CG1 4.21Å; L478-V487 HydrophobicContact CB-CG1 4.25Å; L478-V487 HydrophobicContact CB-CG2 3.95Å; I479-V487 HydrophobicContact CG1-CB 3.98Å; I479-V487 HydrophobicContact CG1-CG1 4.2Å; I479-V487 HydrophobicContact CG1-CG2 3.8Å; Y483-V487 PolarHBondContact O-N 3.44Å; Y484-V487 PolarHBondContact O-N 3.06Å; V487-R489 PolarHBondContact O-N 3.22Å; V487-L490 PolarHBondContact O-N 3.14Å; V487-L490 VanDerWaalsContact O-N 3.13Å; V487-L491 HydrophobicContact CG1-CD1 4.14Å; V487-L491 WeakPolarHBondContact O-CG 3.39Å; V487-L491 PolarHBondContact O-N 2.87Å; V487-L499 HydrophobicContact CG1-CD2 4.29Å |
| 488 | K | 96.4 | Very high | 95 | Very high | 52 Ų | 52 | 61.6 Ų | 61.6 | 23% | 0.226 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.6 | -41.5 | 176.1 | 179.2 | 171.7 | 158.5 | -156.1 | 0 | 113 | Y484 E485 L490 L491 Y496 L499 | Y484-K488 HydrophobicContact CD1-CD 4.25Å; Y484-K488 HydrophobicContact CE1-CD 3.53Å; Y484-K488 VanDerWaalsContact O-CB 3.26Å; Y484-K488 WeakPolarHBondContact O-CB 3.2Å; Y484-K488 PolarHBondContact O-N 2.71Å; E485-K488 IonicContact OE1-NZ 2.69Å; E485-K488 PolarHBondContact OE1-NZ 3.14Å; E485-K488 WeakPolarHBondContact OE2-CD 3.37Å; E485-K488 WeakPolarHBondContact OE2-CE 3.23Å; E485-K488 IonicContact OE2-NZ 3.23Å; E485-K488 PolarHBondContact OE2-NZ 3.27Å; K488-L490 VanDerWaalsContact C-N 3.28Å; K488-L490 PolarHBondContact O-N 3.28Å; K488-L491 PolarHBondContact O-N 3.36Å; K488-Y496 HydrophobicContact CG-CE1 4.17Å; K488-Y496 WeakPolarHBondContact O-CE1 3.46Å; K488-L499 HydrophobicContact CB-CD1 3.83Å; K488-L499 HydrophobicContact CD-CD1 4.15Å; K488-L499 HydrophobicContact CG-CD1 3.79Å |
| 489 | R | 95.5 | Very high | 94.9 | Very high | 165 Ų | 165 | 62.2 Ų | 62.2 | 62% | 0.623 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.1 | -30.5 | 175.5 | -179.9 | -172.2 | 67.1 | 85.1 | 1.2 | 113.5 | E485 N486 V487 | E485-R489 WeakPolarHBondContact O-CB 3.47Å; E485-R489 PolarHBondContact O-N 3.06Å; N486-R489 PolarHBondContact O-N 2.93Å; N486-R489 PolarHBondContact OD1-NE 3.43Å; N486-R489 PolarHBondContact OD1-NH2 2.64Å; V487-R489 PolarHBondContact O-N 3.22Å |
| 490 | L | 93.4 | Very high | 94.6 | Very high | 55 Ų | 55 | 62.8 Ų | 62.8 | 29% | 0.288 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -90.2 | -11.3 | -177.5 | -67.3 | 172 | 0 | 0 | 0 | 113.5 | L448 N486 V487 K488 | L448-L490 HydrophobicContact CB-CD1 3.8Å; L448-L490 HydrophobicContact CD1-CD1 4.21Å; N486-L490 WeakPolarHBondContact O-CG 3.46Å; N486-L490 PolarHBondContact O-N 2.69Å; V487-L490 PolarHBondContact O-N 3.14Å; V487-L490 VanDerWaalsContact O-N 3.13Å; K488-L490 VanDerWaalsContact C-N 3.28Å; K488-L490 PolarHBondContact O-N 3.28Å |
| 491 | L | 94.5 | Very high | 94.4 | Very high | 12 Ų | 12 | 62.3 Ų | 62.3 | 6% | 0.063 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -87 | 146.4 | 178.9 | -74.2 | 167.1 | 0 | 0 | 0 | 112.8 | W452 L475 V487 K488 F495 Y496 L499 | W452-L491 HydrophobicContact CD2-CD2 3.85Å; W452-L491 HydrophobicContact CG-CD2 3.83Å; W452-L491 HydrophobicContact CZ2-CD2 4.48Å; L475-L491 HydrophobicContact CD1-CD1 3.81Å; L475-L491 HydrophobicContact CD1-CD2 4.41Å; L475-L491 HydrophobicContact CD2-CD1 4.01Å; L475-L491 HydrophobicContact CD2-CD2 3.94Å; L475-L491 HydrophobicContact CD2-CG 4.46Å; V487-L491 HydrophobicContact CG1-CD1 4.14Å; V487-L491 WeakPolarHBondContact O-CG 3.39Å; V487-L491 PolarHBondContact O-N 2.87Å; K488-L491 PolarHBondContact O-N 3.36Å; L491-F495 HydrophobicContact CB-CB 4.49Å; L491-F495 HydrophobicContact CD2-CB 4.22Å; L491-Y496 HydrophobicContact CB-CD1 4.47Å; L491-Y496 HydrophobicContact CB-CE1 4.33Å; L491-L499 HydrophobicContact CD1-CD1 4.24Å; L491-L499 HydrophobicContact CD1-CD2 3.62Å; L491-L499 HydrophobicContact CD1-CG 3.87Å |
| 492 | P | 95.5 | Very high | 94.4 | Very high | 26 Ų | 26 | 62.5 Ų | 62.5 | 17% | 0.169 | 30% | 0.298 | C | S | . | . | trans | -61.6 | 140.5 | 163.5 | -14.5 | 28.4 | 0 | 0 | 0 | 110.1 | W452 K453 S494 F495 | W452-P492 HydrophobicContact CB-CG 3.97Å; K453-P492 HydrophobicContact CG-CB 4.14Å; K453-P492 HydrophobicContact CG-CG 3.7Å; P492-S494 PolarHBondContact O-N 3.08Å; P492-F495 HydrophobicContact CB-CD2 4.15Å; P492-F495 HydrophobicContact CG-CD2 4.06Å; P492-F495 WeakPolarHBondContact O-CB 3.26Å; P492-F495 PolarHBondContact O-N 3Å | ||
| 493 | K | 95 | Very high | 94.3 | Very high | 173 Ų | 173 | 62.9 Ų | 62.9 | 75% | 0.752 | 30% | 0.3 | S | S | * | . | G | 310 helix | trans | -53 | -29.7 | -178 | -65.6 | -174.5 | 179.3 | -177.6 | 0 | 114.4 | F495 Y496 | K493-F495 PolarHBondContact O-N 3.21Å; K493-Y496 HydrophobicContact CB-CE2 4.5Å; K493-Y496 HydrophobicContact CG-CE2 4.19Å; K493-Y496 WeakPolarHBondContact O-CB 3.28Å; K493-Y496 PolarHBondContact O-N 3.05Å |
| 494 | S | 95.1 | Very high | 94.2 | Very high | 59 Ų | 59 | 58.9 Ų | 58.9 | 41% | 0.413 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -63.5 | -25.5 | 175.5 | 51.4 | 0 | 0 | 0 | 0 | 113.8 | L459 P492 Y496 | L459-S494 WeakPolarHBondContact CD2-O 3.44Å; P492-S494 PolarHBondContact O-N 3.08Å; S494-Y496 VanDerWaalsContact C-N 3.34Å |
| 495 | F | 95.1 | Very high | 94.1 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -86.5 | -0.5 | 177.4 | -77.2 | -98 | 0 | 0 | 0 | 113.4 | W452 L459 I471 L491 P492 K493 I497 M498 | W452-F495 HydrophobicContact CB-CD2 4.38Å; W452-F495 HydrophobicContact CB-CE2 4.3Å; W452-F495 HydrophobicContact CB-CZ 4.43Å; W452-F495 WeakPolarHBondContact O-CE2 3.37Å; W452-F495 WeakPolarHBondContact O-CZ 3.42Å; L459-F495 HydrophobicContact CD1-CE2 4.22Å; L459-F495 HydrophobicContact CD1-CZ 4.41Å; L459-F495 HydrophobicContact CD2-CD1 4.04Å; L459-F495 HydrophobicContact CD2-CD2 4.43Å; L459-F495 HydrophobicContact CD2-CE1 4.08Å; L459-F495 HydrophobicContact CD2-CE2 4.47Å; L459-F495 HydrophobicContact CD2-CG 4.21Å; L459-F495 HydrophobicContact CD2-CZ 4.29Å; L459-F495 HydrophobicContact CG-CE1 4.49Å; L459-F495 HydrophobicContact CG-CZ 4.32Å; I471-F495 HydrophobicContact CD1-CE1 4.42Å; I471-F495 HydrophobicContact CG2-CD1 4.37Å; I471-F495 HydrophobicContact CG2-CE1 4.49Å; L491-F495 HydrophobicContact CB-CB 4.49Å; L491-F495 HydrophobicContact CD2-CB 4.22Å; P492-F495 HydrophobicContact CB-CD2 4.15Å; P492-F495 HydrophobicContact CG-CD2 4.06Å; P492-F495 WeakPolarHBondContact O-CB 3.26Å; P492-F495 PolarHBondContact O-N 3Å; K493-F495 PolarHBondContact O-N 3.21Å; F495-I497 PolarHBondContact O-N 3.49Å; F495-M498 HydrophobicContact CD1-SD 3.53Å; F495-M498 VanDerWaalsContact CD1-SD 3.53Å; F495-M498 HydrophobicContact CE1-SD 3.77Å; F495-M498 WeakPolarHBondContact O-CB 3.43Å; F495-M498 PolarHBondContact O-N 3.31Å |
| 496 | Y | 94.5 | Very high | 94 | Very high | 92 Ų | 92 | 57.7 Ų | 57.7 | 36% | 0.361 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -62.6 | -25.4 | 177.5 | -71.7 | 8 | 0 | 0 | 0 | 112.3 | K488 L491 K493 S494 M498 L499 | K488-Y496 HydrophobicContact CG-CE1 4.17Å; K488-Y496 WeakPolarHBondContact O-CE1 3.46Å; L491-Y496 HydrophobicContact CB-CD1 4.47Å; L491-Y496 HydrophobicContact CB-CE1 4.33Å; K493-Y496 HydrophobicContact CB-CE2 4.5Å; K493-Y496 HydrophobicContact CG-CE2 4.19Å; K493-Y496 WeakPolarHBondContact O-CB 3.28Å; K493-Y496 PolarHBondContact O-N 3.05Å; S494-Y496 VanDerWaalsContact C-N 3.34Å; Y496-M498 PolarHBondContact O-N 3.43Å; Y496-L499 HydrophobicContact CD1-CD1 4.2Å; Y496-L499 HydrophobicContact CG-CD1 4.48Å; Y496-L499 PolarHBondContact O-N 2.83Å |
| 497 | I | 91.8 | Very high | 93.8 | Very high | 125 Ų | 125 | 57.5 Ų | 57.5 | 64% | 0.641 | 29% | 0.29 | S | S | * | . | G | 310 helix | trans | -70.7 | -12.2 | 173.3 | 68.1 | 176.6 | 0 | 0 | 0 | 113.9 | L459 F495 | L459-I497 HydrophobicContact CD2-CD1 4.14Å; L459-I497 HydrophobicContact CD2-CG1 4.17Å; F495-I497 PolarHBondContact O-N 3.49Å |
| 498 | M | 92.3 | Very high | 93.5 | Very high | 4 Ų | 4 | 59.1 Ų | 59.1 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -101 | -3.1 | 175 | -71.9 | 176.4 | 164.7 | 0 | 0 | 112.9 | S458 L459 K468 I471 T472 L475 F495 Y496 | S458-M498 VanDerWaalsContact O-CE 3.3Å; S458-M498 WeakPolarHBondContact O-CE 3.2Å; S458-M498 WeakPolarHBondContact OG-CE 3.43Å; L459-M498 HydrophobicContact CD2-CE 3.8Å; L459-M498 HydrophobicContact CD2-CG 4.25Å; L459-M498 HydrophobicContact CD2-SD 3.78Å; L459-M498 HydrophobicContact CG-CE 4.35Å; K468-M498 HydrophobicContact CB-CE 4.5Å; K468-M498 HydrophobicContact CD-CE 4.32Å; K468-M498 HydrophobicContact CG-CE 3.87Å; I471-M498 HydrophobicContact CB-SD 4.17Å; I471-M498 HydrophobicContact CD1-CE 4.38Å; I471-M498 HydrophobicContact CD1-SD 4.42Å; I471-M498 HydrophobicContact CG2-SD 3.58Å; I471-M498 VanDerWaalsContact CG2-SD 3.58Å; T472-M498 HydrophobicContact CG2-CB 4Å; T472-M498 HydrophobicContact CG2-CG 4.19Å; L475-M498 HydrophobicContact CD1-CB 4.18Å; F495-M498 HydrophobicContact CD1-SD 3.53Å; F495-M498 VanDerWaalsContact CD1-SD 3.53Å; F495-M498 HydrophobicContact CE1-SD 3.77Å; F495-M498 WeakPolarHBondContact O-CB 3.43Å; F495-M498 PolarHBondContact O-N 3.31Å; Y496-M498 PolarHBondContact O-N 3.43Å |
| 499 | L | 93.1 | Very high | 93.3 | Very high | 15 Ų | 15 | 56.7 Ų | 56.7 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -70.4 | 137.6 | 173.1 | -79.9 | 168.2 | 0 | 0 | 0 | 109.9 | L475 I479 Y484 V487 K488 L491 Y496 | L475-L499 HydrophobicContact CD1-CD2 4.3Å; I479-L499 HydrophobicContact CD1-CD2 4.21Å; Y484-L499 HydrophobicContact CE2-CB 4.33Å; Y484-L499 HydrophobicContact CE2-CD1 4.41Å; Y484-L499 HydrophobicContact CE2-CD2 4.42Å; V487-L499 HydrophobicContact CG1-CD2 4.29Å; K488-L499 HydrophobicContact CB-CD1 3.83Å; K488-L499 HydrophobicContact CD-CD1 4.15Å; K488-L499 HydrophobicContact CG-CD1 3.79Å; L491-L499 HydrophobicContact CD1-CD1 4.24Å; L491-L499 HydrophobicContact CD1-CD2 3.62Å; L491-L499 HydrophobicContact CD1-CG 3.87Å; Y496-L499 HydrophobicContact CD1-CD1 4.2Å; Y496-L499 HydrophobicContact CG-CD1 4.48Å; Y496-L499 PolarHBondContact O-N 2.83Å |
| 500 | P | 90.6 | Very high | 92.9 | Very high | 29 Ų | 29 | 55.4 Ų | 55.4 | 19% | 0.188 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 165.6 | 165.5 | 30.9 | -36.4 | 0 | 0 | 0 | 110.6 | I479 Y484 | I479-P500 HydrophobicContact CD1-CG 3.45Å; I479-P500 VanDerWaalsContact CD1-CG 3.45Å; Y484-P500 WeakPolarHBondContact CE2-O 3.33Å |
| 501 | P | 91.2 | Very high | 92.5 | Very high | 60 Ų | 60 | 57.3 Ų | 57.3 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -55.3 | 154.1 | 169.1 | 25.6 | -36.1 | 0 | 0 | 0 | 111.7 | N727 | P501-N727 HydrophobicContact CB-CB 4.21Å; P501-N727 WeakPolarHBondContact CB-OD1 3.2Å; P501-N727 HydrophobicContact CG-CB 4.15Å; P501-N727 WeakPolarHBondContact CG-OD1 3.48Å |
| 502 | Q | 93.9 | Very high | 92.3 | Very high | 102 Ų | 102 | 59.1 Ų | 59.1 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -62.3 | 132.5 | 173.9 | -172.2 | 177.5 | 11.4 | 0 | 0 | 109.2 | Y484 T504 | Y484-Q502 HydrophobicContact CD1-CB 4.1Å; Y484-Q502 HydrophobicContact CD1-CG 3.82Å; Y484-Q502 HydrophobicContact CD2-CB 4.46Å; Y484-Q502 HydrophobicContact CE1-CB 4.13Å; Y484-Q502 HydrophobicContact CE1-CG 4.28Å; Y484-Q502 HydrophobicContact CE2-CB 4.5Å; Y484-Q502 HydrophobicContact CG-CB 4.28Å; Y484-Q502 HydrophobicContact CG-CG 4.03Å; Q502-T504 HydrophobicContact CG-CG2 4.37Å; Q502-T504 PolarHBondContact O-N 3.07Å; Q502-T504 PolarHBondContact O-OG1 2.93Å |
| 503 | P | 93.2 | Very high | 91.8 | Very high | 50 Ų | 50 | 61.7 Ų | 61.7 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | trans | -77.3 | 64.5 | -167.6 | 30.6 | -37.2 | 0 | 0 | 0 | 114.1 | I479 N727 N728 | I479-P503 HydrophobicContact CG2-CG 4.26Å; P503-N727 WeakPolarHBondContact CA-O 3.32Å; P503-N728 HydrophobicContact CB-CB 3.98Å | ||
| 504 | T | 92.9 | Very high | 91.3 | Very high | 67 Ų | 67 | 60.9 Ų | 60.9 | 41% | 0.411 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -91.8 | 171.7 | 174.4 | 57 | 0 | 0 | 0 | 0 | 111.8 | Q502 N727 | Q502-T504 HydrophobicContact CG-CG2 4.37Å; Q502-T504 PolarHBondContact O-N 3.07Å; Q502-T504 PolarHBondContact O-OG1 2.93Å; T504-N727 PolarHBondContact OG1-ND2 2.88Å |
| 505 | V | 94.1 | Very high | 90.9 | Very high | 35 Ų | 35 | 59.3 Ų | 59.3 | 21% | 0.212 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -93.4 | 143.1 | 171 | 74.9 | 0 | 0 | 0 | 0 | 109.7 | I684 H687 V724 W725 | V505-I684 HydrophobicContact CB-CD1 4.35Å; V505-I684 HydrophobicContact CG1-CD1 3.79Å; V505-I684 HydrophobicContact CG2-CD1 3.62Å; V505-H687 HydrophobicContact CB-CB 4.21Å; V505-H687 HydrophobicContact CG1-CB 4.08Å; V505-H687 HydrophobicContact CG2-CB 4.28Å; V505-V724 HydrophobicContact CG2-CG1 3.44Å; V505-V724 VanDerWaalsContact CG2-CG1 3.44Å; V505-V724 WeakPolarHBondContact CG2-O 3.29Å; V505-W725 HydrophobicContact CB-CE3 4.15Å; V505-W725 HydrophobicContact CB-CH2 4.12Å; V505-W725 HydrophobicContact CB-CZ3 3.83Å; V505-W725 HydrophobicContact CG2-CD2 4.13Å; V505-W725 HydrophobicContact CG2-CE3 4.02Å; V505-W725 HydrophobicContact CG2-CH2 4.08Å; V505-W725 HydrophobicContact CG2-CZ2 4.11Å; V505-W725 HydrophobicContact CG2-CZ3 4.01Å |
| 506 | I | 93.2 | Very high | 90.5 | Very high | 63 Ų | 63 | 63.4 Ų | 63.4 | 32% | 0.323 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -98.4 | 118.7 | -179.3 | -59.2 | -179.6 | 0 | 0 | 0 | 109.3 | V724 A726 | I506-V724 PolarHBondContact N-O 2.81Å; I506-A726 HydrophobicContact CD1-CB 3.87Å |
| 507 | N | 92.7 | Very high | 90.3 | Very high | 20 Ų | 20 | 59.3 Ų | 59.3 | 11% | 0.107 | 34% | 0.336 | C | S | . | . | trans | -114.1 | 84.8 | -179.9 | -168.2 | -0.1 | 0 | 0 | 0 | 111.8 | Y509 E510 S511 F521 I684 | N507-Y509 PolarHBondContact O-N 3.39Å; N507-Y509 VanDerWaalsContact O-N 3.11Å; N507-E510 HydrophobicContact CB-CB 3.94Å; N507-E510 WeakPolarHBondContact ND2-CB 3.37Å; N507-E510 PolarHBondContact ND2-OE2 3.41Å; N507-E510 PolarHBondContact O-N 3.38Å; N507-S511 PolarHBondContact O-N 3.14Å; N507-F521 WeakPolarHBondContact OD1-CE1 3.37Å; N507-F521 WeakPolarHBondContact OD1-CZ 3.44Å; N507-I684 HydrophobicContact CB-CD1 3.71Å | ||
| 508 | K | 89.8 | Confident | 90.2 | Very high | 37 Ų | 37 | 53.4 Ų | 53.4 | 16% | 0.161 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.4 | -26.9 | -174.2 | 73.9 | -173.8 | -168 | -177.4 | 0 | 114.5 | N512 E665 S667 E676 | K508-N512 WeakPolarHBondContact O-CB 3.48Å; K508-N512 PolarHBondContact O-N 3.11Å; K508-N512 VanDerWaalsContact O-N 3.11Å; K508-N512 PolarHBondContact O-ND2 3.41Å; K508-E665 WeakPolarHBondContact CE-O 3.43Å; K508-E665 PolarHBondContact NZ-O 3.32Å; K508-S667 PolarHBondContact NZ-OG 2.88Å; K508-S667 VanDerWaalsContact NZ-OG 3.17Å; K508-E676 VanDerWaalsContact CE-OE1 3.31Å; K508-E676 WeakPolarHBondContact CE-OE1 3.45Å; K508-E676 IonicContact NZ-OE1 3.16Å; K508-E676 PolarHBondContact NZ-OE1 3.49Å; K508-E676 IonicContact NZ-OE2 2.98Å; K508-E676 PolarHBondContact NZ-OE2 3.29Å |
| 509 | Y | 91.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 64 Ų | 64 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -82 | -18.9 | 179.5 | -60.3 | -74.9 | 0 | 0 | 0 | 113.7 | N507 N512 L515 A518 F521 F522 E665 E676 L677 | N507-Y509 PolarHBondContact O-N 3.39Å; N507-Y509 VanDerWaalsContact O-N 3.11Å; Y509-N512 CarbonylContact O-C 3.59Å; Y509-L515 HydrophobicContact CD1-CB 4.48Å; Y509-L515 HydrophobicContact CD1-CD1 3.95Å; Y509-L515 HydrophobicContact CE1-CD1 4.11Å; Y509-A518 HydrophobicContact CD1-CB 4.02Å; Y509-F521 VanDerWaalsContact CB-CD1 3.41Å; Y509-F521 HydrophobicContact CD1-CB 4.19Å; Y509-F521 HydrophobicContact CD1-CG 4.42Å; Y509-F521 HydrophobicContact CD2-CB 3.89Å; Y509-F521 AromaticContact CD2-CD1 3.72Å; Y509-F521 HydrophobicContact CD2-CD1 3.72Å; Y509-F521 AromaticContact CD2-CD2 3.35Å; Y509-F521 HydrophobicContact CD2-CD2 3.35Å; Y509-F521 HydrophobicContact CD2-CE1 4.03Å; Y509-F521 AromaticContact CD2-CE2 3.68Å; Y509-F521 HydrophobicContact CD2-CE2 3.68Å; Y509-F521 AromaticContact CD2-CG 3.35Å; Y509-F521 HydrophobicContact CD2-CG 3.35Å; Y509-F521 HydrophobicContact CD2-CZ 4Å; Y509-F521 HydrophobicContact CE1-CB 4.46Å; Y509-F521 HydrophobicContact CE2-CB 4.17Å; Y509-F521 AromaticContact CE2-CD2 3.67Å; Y509-F521 HydrophobicContact CE2-CD2 3.67Å; Y509-F521 HydrophobicContact CE2-CE2 4.2Å; Y509-F521 AromaticContact CE2-CG 3.94Å; Y509-F521 HydrophobicContact CE2-CG 3.94Å; Y509-F521 HydrophobicContact CG-CB 3.9Å; Y509-F521 AromaticContact CG-CD1 3.71Å; Y509-F521 HydrophobicContact CG-CD1 3.71Å; Y509-F521 HydrophobicContact CG-CD2 4.14Å; Y509-F521 HydrophobicContact CG-CE1 4.23Å; Y509-F521 AromaticContact CG-CG 3.64Å; Y509-F521 HydrophobicContact CG-CG 3.64Å; Y509-F522 WeakPolarHBondContact O-CZ 3.48Å; Y509-E665 PolarHBondContact OH-O 2.91Å; Y509-E676 VanDerWaalsContact OH-CG 3.3Å; Y509-E676 WeakPolarHBondContact OH-CG 3.41Å; Y509-L677 HydrophobicContact CE1-CD2 4.11Å; Y509-L677 HydrophobicContact CE2-CD2 4.23Å; Y509-L677 WeakPolarHBondContact OH-CD2 3.43Å |
| 510 | E | 88.5 | Confident | 90.1 | Very high | 138 Ų | 138 | 64.2 Ų | 64.2 | 65% | 0.645 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -82.4 | -35 | 173 | -179.6 | 171.4 | -173.5 | 0 | 0 | 110.7 | N507 N512 | N507-E510 HydrophobicContact CB-CB 3.94Å; N507-E510 WeakPolarHBondContact ND2-CB 3.37Å; N507-E510 PolarHBondContact ND2-OE2 3.41Å; N507-E510 PolarHBondContact O-N 3.38Å; E510-N512 VanDerWaalsContact C-N 3.35Å |
| 511 | S | 85.1 | Confident | 90.3 | Very high | 95 Ų | 95 | 62.9 Ų | 62.9 | 66% | 0.664 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -74.5 | -21.4 | 169.5 | -51.1 | 0 | 0 | 0 | 0 | 114 | N507 | N507-S511 PolarHBondContact O-N 3.14Å |
| 512 | N | 88.9 | Confident | 90.5 | Very high | 51 Ų | 51 | 63.8 Ų | 63.8 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | trans | -137.5 | 73.9 | -176.3 | -54.1 | -90.6 | 0 | 0 | 0 | 110.5 | K508 Y509 E510 D514 L515 | K508-N512 WeakPolarHBondContact O-CB 3.48Å; K508-N512 PolarHBondContact O-N 3.11Å; K508-N512 VanDerWaalsContact O-N 3.11Å; K508-N512 PolarHBondContact O-ND2 3.41Å; Y509-N512 CarbonylContact O-C 3.59Å; E510-N512 VanDerWaalsContact C-N 3.35Å; N512-D514 PolarHBondContact O-N 2.95Å; N512-L515 HydrophobicContact CB-CD1 3.78Å; N512-L515 HydrophobicContact CB-CG 3.81Å; N512-L515 WeakPolarHBondContact O-CG 3.49Å; N512-L515 PolarHBondContact O-N 3.25Å | ||
| 513 | P | 85.6 | Confident | 90.5 | Very high | 79 Ų | 79 | 66.5 Ų | 66.5 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -20.2 | -176.8 | 28.1 | -35.8 | 0 | 0 | 0 | 113.7 | L515 A518 | P513-L515 VanDerWaalsContact C-N 3.34Å; P513-L515 PolarHBondContact O-N 3.37Å; P513-A518 VanDerWaalsContact O-CB 3.3Å; P513-A518 WeakPolarHBondContact O-CB 3.24Å |
| 514 | D | 85.5 | Confident | 90.6 | Very high | 157 Ų | 157 | 64.1 Ų | 64.1 | 84% | 0.84 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -5.2 | -176.8 | -54.5 | -59.6 | 0 | 0 | 0 | 114.5 | N512 S516 | N512-D514 PolarHBondContact O-N 2.95Å; D514-S516 PolarHBondContact O-N 3.18Å |
| 515 | L | 86.6 | Confident | 90.7 | Very high | 26 Ų | 26 | 61 Ų | 61 | 14% | 0.136 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -59.6 | 135.6 | 173.4 | -64.6 | 175.4 | 0 | 0 | 0 | 109.8 | Y509 N512 P513 S517 A518 V663 E665 | Y509-L515 HydrophobicContact CD1-CB 4.48Å; Y509-L515 HydrophobicContact CD1-CD1 3.95Å; Y509-L515 HydrophobicContact CE1-CD1 4.11Å; N512-L515 HydrophobicContact CB-CD1 3.78Å; N512-L515 HydrophobicContact CB-CG 3.81Å; N512-L515 WeakPolarHBondContact O-CG 3.49Å; N512-L515 PolarHBondContact O-N 3.25Å; P513-L515 VanDerWaalsContact C-N 3.34Å; P513-L515 PolarHBondContact O-N 3.37Å; L515-S517 PolarHBondContact O-N 3.23Å; L515-A518 HydrophobicContact CB-CB 4.3Å; L515-A518 VanDerWaalsContact O-CB 3.22Å; L515-A518 WeakPolarHBondContact O-CB 3.34Å; L515-A518 PolarHBondContact O-N 2.92Å; L515-V663 HydrophobicContact CD1-CG1 4.43Å; L515-V663 HydrophobicContact CD2-CB 4.4Å; L515-V663 HydrophobicContact CD2-CG1 4.45Å; L515-V663 WeakPolarHBondContact CD2-O 3.47Å; L515-E665 HydrophobicContact CB-CG 4.33Å; L515-E665 HydrophobicContact CD2-CG 4.16Å |
| 516 | S | 86.3 | Confident | 90.8 | Very high | 86 Ų | 86 | 63.4 Ų | 63.4 | 60% | 0.601 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -24.1 | -170.1 | 80 | 0 | 0 | 0 | 0 | 113.2 | D514 E665 | D514-S516 PolarHBondContact O-N 3.18Å; S516-E665 VanDerWaalsContact CB-OE1 3.25Å; S516-E665 WeakPolarHBondContact CB-OE1 3.36Å; S516-E665 PolarHBondContact N-OE1 2.83Å; S516-E665 PolarHBondContact OG-OE1 3.33Å; S516-E665 PolarHBondContact OG-OE2 3.17Å |
| 517 | S | 89.6 | Confident | 90.9 | Very high | 6 Ų | 6 | 60.9 Ų | 60.9 | 4% | 0.042 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -6.7 | 173.7 | 52.7 | 0 | 0 | 0 | 0 | 115.7 | L515 R519 A520 F521 E665 | L515-S517 PolarHBondContact O-N 3.23Å; S517-R519 VanDerWaalsContact C-N 3.34Å; S517-R519 PolarHBondContact O-N 3.15Å; S517-A520 WeakPolarHBondContact O-CA 3.4Å; S517-A520 WeakPolarHBondContact O-CB 3.43Å; S517-A520 PolarHBondContact O-N 3.08Å; S517-F521 PolarHBondContact O-N 3.02Å; S517-E665 WeakPolarHBondContact CB-OE2 3.37Å; S517-E665 PolarHBondContact N-OE2 2.99Å; S517-E665 VanDerWaalsContact OG-CD 3.27Å; S517-E665 PolarHBondContact OG-OE2 3.42Å |
| 518 | A | 90.3 | Very high | 91.1 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59 | -41.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y509 P513 L515 A520 F521 F522 | Y509-A518 HydrophobicContact CD1-CB 4.02Å; P513-A518 VanDerWaalsContact O-CB 3.3Å; P513-A518 WeakPolarHBondContact O-CB 3.24Å; L515-A518 HydrophobicContact CB-CB 4.3Å; L515-A518 VanDerWaalsContact O-CB 3.22Å; L515-A518 WeakPolarHBondContact O-CB 3.34Å; L515-A518 PolarHBondContact O-N 2.92Å; A518-A520 PolarHBondContact O-N 3.41Å; A518-F521 WeakPolarHBondContact O-CB 3.46Å; A518-F521 PolarHBondContact O-N 3.28Å; A518-F521 VanDerWaalsContact O-N 3.13Å; A518-F522 HydrophobicContact CB-CE2 4.21Å; A518-F522 WeakPolarHBondContact O-CD2 3.35Å; A518-F522 PolarHBondContact O-N 3.33Å |
| 519 | R | 91.2 | Very high | 91.4 | Very high | 226 Ų | 226 | 64.6 Ų | 64.6 | 85% | 0.853 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -59.8 | -32.3 | 174.8 | -173.2 | 176.4 | -178.3 | 178.5 | 2.6 | 112.8 | S517 R523 | S517-R519 VanDerWaalsContact C-N 3.34Å; S517-R519 PolarHBondContact O-N 3.15Å; R519-R523 WeakPolarHBondContact O-CB 3.33Å; R519-R523 PolarHBondContact O-N 2.84Å |
| 520 | A | 91.8 | Very high | 91.6 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 16% | 0.157 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -76.6 | -40.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S517 A518 R523 L524 A544 L677 | S517-A520 WeakPolarHBondContact O-CA 3.4Å; S517-A520 WeakPolarHBondContact O-CB 3.43Å; S517-A520 PolarHBondContact O-N 3.08Å; A518-A520 PolarHBondContact O-N 3.41Å; A520-R523 PolarHBondContact O-N 2.78Å; A520-L524 WeakPolarHBondContact O-CG 3.33Å; A520-L524 PolarHBondContact O-N 3.01Å; A520-A544 HydrophobicContact CB-CB 3.52Å; A520-L677 HydrophobicContact CB-CD1 4.04Å |
| 521 | F | 94.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 68.7 Ų | 68.7 | 0% | 0.004 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -56.7 | -54 | 174.1 | 167.7 | -98.6 | 0 | 0 | 0 | 112.1 | N507 Y509 S517 A518 R523 L524 V525 L677 A681 I684 | N507-F521 WeakPolarHBondContact OD1-CE1 3.37Å; N507-F521 WeakPolarHBondContact OD1-CZ 3.44Å; Y509-F521 VanDerWaalsContact CB-CD1 3.41Å; Y509-F521 HydrophobicContact CD1-CB 4.19Å; Y509-F521 HydrophobicContact CD1-CG 4.42Å; Y509-F521 HydrophobicContact CD2-CB 3.89Å; Y509-F521 AromaticContact CD2-CD1 3.72Å; Y509-F521 HydrophobicContact CD2-CD1 3.72Å; Y509-F521 AromaticContact CD2-CD2 3.35Å; Y509-F521 HydrophobicContact CD2-CD2 3.35Å; Y509-F521 HydrophobicContact CD2-CE1 4.03Å; Y509-F521 AromaticContact CD2-CE2 3.68Å; Y509-F521 HydrophobicContact CD2-CE2 3.68Å; Y509-F521 AromaticContact CD2-CG 3.35Å; Y509-F521 HydrophobicContact CD2-CG 3.35Å; Y509-F521 HydrophobicContact CD2-CZ 4Å; Y509-F521 HydrophobicContact CE1-CB 4.46Å; Y509-F521 HydrophobicContact CE2-CB 4.17Å; Y509-F521 AromaticContact CE2-CD2 3.67Å; Y509-F521 HydrophobicContact CE2-CD2 3.67Å; Y509-F521 HydrophobicContact CE2-CE2 4.2Å; Y509-F521 AromaticContact CE2-CG 3.94Å; Y509-F521 HydrophobicContact CE2-CG 3.94Å; Y509-F521 HydrophobicContact CG-CB 3.9Å; Y509-F521 AromaticContact CG-CD1 3.71Å; Y509-F521 HydrophobicContact CG-CD1 3.71Å; Y509-F521 HydrophobicContact CG-CD2 4.14Å; Y509-F521 HydrophobicContact CG-CE1 4.23Å; Y509-F521 AromaticContact CG-CG 3.64Å; Y509-F521 HydrophobicContact CG-CG 3.64Å; S517-F521 PolarHBondContact O-N 3.02Å; A518-F521 WeakPolarHBondContact O-CB 3.46Å; A518-F521 PolarHBondContact O-N 3.28Å; A518-F521 VanDerWaalsContact O-N 3.13Å; F521-R523 VanDerWaalsContact C-N 3.31Å; F521-R523 PolarHBondContact O-N 3.39Å; F521-L524 WeakPolarHBondContact O-CB 3.18Å; F521-L524 PolarHBondContact O-N 2.9Å; F521-V525 HydrophobicContact CD1-CG2 4.28Å; F521-V525 HydrophobicContact CD2-CG2 4.19Å; F521-V525 HydrophobicContact CE1-CG2 3.83Å; F521-V525 HydrophobicContact CE2-CG2 3.74Å; F521-V525 HydrophobicContact CG-CG2 4.45Å; F521-V525 HydrophobicContact CZ-CG2 3.55Å; F521-V525 WeakPolarHBondContact O-CG2 3.46Å; F521-V525 PolarHBondContact O-N 3.23Å; F521-L677 HydrophobicContact CB-CD2 3.75Å; F521-A681 HydrophobicContact CD2-CB 4.16Å; F521-A681 HydrophobicContact CE2-CB 4.22Å; F521-I684 HydrophobicContact CE2-CG1 4.4Å; F521-I684 HydrophobicContact CZ-CB 4.22Å; F521-I684 HydrophobicContact CZ-CG1 4.09Å; F521-I684 HydrophobicContact CZ-CG2 4.13Å |
| 522 | F | 94.5 | Very high | 92.4 | Very high | 79 Ų | 79 | 67.6 Ų | 67.6 | 35% | 0.346 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | -179.2 | -68.5 | -63.4 | 0 | 0 | 0 | 111.7 | Y509 A518 L524 V525 D526 | Y509-F522 WeakPolarHBondContact O-CZ 3.48Å; A518-F522 HydrophobicContact CB-CE2 4.21Å; A518-F522 WeakPolarHBondContact O-CD2 3.35Å; A518-F522 PolarHBondContact O-N 3.33Å; F522-L524 VanDerWaalsContact C-N 3.3Å; F522-L524 PolarHBondContact O-N 3.33Å; F522-V525 PolarHBondContact O-N 3.3Å; F522-D526 PolarHBondContact O-N 2.68Å |
| 523 | R | 94.6 | Very high | 92.7 | Very high | 159 Ų | 159 | 71 Ų | 71 | 60% | 0.6 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -59.7 | -37.5 | 173.7 | -173.2 | -178.9 | -178.9 | -171.4 | 2.4 | 112.7 | R519 A520 F521 S527 I540 | R519-R523 WeakPolarHBondContact O-CB 3.33Å; R519-R523 PolarHBondContact O-N 2.84Å; A520-R523 PolarHBondContact O-N 2.78Å; F521-R523 VanDerWaalsContact C-N 3.31Å; F521-R523 PolarHBondContact O-N 3.39Å; R523-S527 VanDerWaalsContact O-CB 3.27Å; R523-S527 WeakPolarHBondContact O-CB 3.25Å; R523-S527 PolarHBondContact O-N 2.97Å; R523-S527 PolarHBondContact O-OG 2.91Å; R523-I540 HydrophobicContact CG-CG2 4.26Å |
| 524 | L | 95.2 | Very high | 93.1 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -70.2 | -44.5 | 174.7 | -76.6 | 163.6 | 0 | 0 | 0 | 111.8 | A520 F521 F522 D526 S527 I528 V537 I540 A541 L677 A681 | A520-L524 WeakPolarHBondContact O-CG 3.33Å; A520-L524 PolarHBondContact O-N 3.01Å; F521-L524 WeakPolarHBondContact O-CB 3.18Å; F521-L524 PolarHBondContact O-N 2.9Å; F522-L524 VanDerWaalsContact C-N 3.3Å; F522-L524 PolarHBondContact O-N 3.33Å; L524-D526 VanDerWaalsContact C-N 3.31Å; L524-D526 PolarHBondContact O-N 3.25Å; L524-S527 PolarHBondContact O-N 3.39Å; L524-I528 WeakPolarHBondContact O-CB 3.49Å; L524-I528 VanDerWaalsContact O-CG1 3.26Å; L524-I528 WeakPolarHBondContact O-CG1 3.18Å; L524-I528 PolarHBondContact O-N 3.25Å; L524-V537 HydrophobicContact CD2-CG1 3.9Å; L524-V537 WeakPolarHBondContact CD2-O 3.1Å; L524-I540 HydrophobicContact CD2-CB 3.83Å; L524-I540 HydrophobicContact CD2-CG2 3.67Å; L524-I540 HydrophobicContact CG-CB 4.46Å; L524-I540 HydrophobicContact CG-CG2 3.74Å; L524-A541 HydrophobicContact CD1-CB 4.15Å; L524-A541 HydrophobicContact CD2-CB 4.26Å; L524-L677 HydrophobicContact CD1-CB 3.67Å; L524-A681 HydrophobicContact CB-CB 3.58Å |
| 525 | V | 95.6 | Very high | 93.5 | Very high | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -55 | -48.6 | 176.4 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | F521 F522 I528 R529 A681 I684 | F521-V525 HydrophobicContact CD1-CG2 4.28Å; F521-V525 HydrophobicContact CD2-CG2 4.19Å; F521-V525 HydrophobicContact CE1-CG2 3.83Å; F521-V525 HydrophobicContact CE2-CG2 3.74Å; F521-V525 HydrophobicContact CG-CG2 4.45Å; F521-V525 HydrophobicContact CZ-CG2 3.55Å; F521-V525 WeakPolarHBondContact O-CG2 3.46Å; F521-V525 PolarHBondContact O-N 3.23Å; F522-V525 PolarHBondContact O-N 3.3Å; V525-I528 PolarHBondContact O-N 3.18Å; V525-R529 HydrophobicContact CG1-CG 4.46Å; V525-R529 VanDerWaalsContact CG1-NE 3.34Å; V525-R529 WeakPolarHBondContact O-CB 3.49Å; V525-R529 VanDerWaalsContact O-CG 3.25Å; V525-R529 WeakPolarHBondContact O-CG 3.32Å; V525-R529 PolarHBondContact O-N 3.3Å; V525-A681 HydrophobicContact CG2-CB 3.66Å; V525-I684 HydrophobicContact CG2-CG2 4.33Å |
| 526 | D | 96.2 | Very high | 93.9 | Very high | 84 Ų | 84 | 69 Ų | 69 | 45% | 0.449 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -73.1 | -34.2 | -179.6 | -65.7 | -27.8 | 0 | 0 | 0 | 112.5 | F522 L524 I528 R529 A530 | F522-D526 PolarHBondContact O-N 2.68Å; L524-D526 VanDerWaalsContact C-N 3.31Å; L524-D526 PolarHBondContact O-N 3.25Å; D526-I528 VanDerWaalsContact C-N 3.3Å; D526-I528 PolarHBondContact O-N 3.43Å; D526-R529 PolarHBondContact O-N 3Å; D526-R529 IonicContact OD1-CZ 2.69Å; D526-R529 IonicContact OD1-NH1 3.59Å; D526-R529 PolarHBondContact OD1-NH1 3.37Å; D526-A530 WeakPolarHBondContact O-CB 3.42Å; D526-A530 PolarHBondContact O-N 3.07Å |
| 527 | S | 96 | Very high | 94.3 | Very high | 11 Ų | 11 | 65 Ų | 65 | 8% | 0.077 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.4 | -37.1 | 171.5 | -63 | 0 | 0 | 0 | 0 | 112.7 | R523 L524 R531 L532 I540 | R523-S527 VanDerWaalsContact O-CB 3.27Å; R523-S527 WeakPolarHBondContact O-CB 3.25Å; R523-S527 PolarHBondContact O-N 2.97Å; R523-S527 PolarHBondContact O-OG 2.91Å; L524-S527 PolarHBondContact O-N 3.39Å; S527-R531 PolarHBondContact O-N 2.79Å; S527-L532 WeakPolarHBondContact O-CB 3.34Å; S527-L532 WeakPolarHBondContact O-CG 3.39Å; S527-L532 PolarHBondContact O-N 3.01Å; S527-I540 WeakPolarHBondContact OG-CD1 3.42Å |
| 528 | I | 96.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.5 | -43.7 | 177.9 | -70.2 | 169.9 | 0 | 0 | 0 | 110.3 | L524 V525 D526 A530 R531 V537 F678 A681 M682 A685 F696 Y700 | L524-I528 WeakPolarHBondContact O-CB 3.49Å; L524-I528 VanDerWaalsContact O-CG1 3.26Å; L524-I528 WeakPolarHBondContact O-CG1 3.18Å; L524-I528 PolarHBondContact O-N 3.25Å; V525-I528 PolarHBondContact O-N 3.18Å; D526-I528 VanDerWaalsContact C-N 3.3Å; D526-I528 PolarHBondContact O-N 3.43Å; I528-A530 PolarHBondContact O-N 3.47Å; I528-R531 WeakPolarHBondContact O-CA 3.43Å; I528-R531 PolarHBondContact O-N 3.26Å; I528-V537 HydrophobicContact CD1-CG1 4.18Å; I528-V537 HydrophobicContact CG1-CG1 3.96Å; I528-V537 HydrophobicContact CG1-CG2 4.42Å; I528-F678 HydrophobicContact CD1-CD2 4.4Å; I528-F678 HydrophobicContact CD1-CE2 4.31Å; I528-A681 HydrophobicContact CD1-CB 4.01Å; I528-M682 HydrophobicContact CD1-CB 4.11Å; I528-A685 HydrophobicContact CB-CB 4.23Å; I528-A685 HydrophobicContact CG2-CB 3.55Å; I528-F696 HydrophobicContact CG2-CD1 3.63Å; I528-F696 HydrophobicContact CG2-CE1 3.74Å; I528-F696 HydrophobicContact CG2-CG 4.09Å; I528-F696 HydrophobicContact CG2-CZ 4.29Å; I528-F696 VanDerWaalsContact O-CE1 3.27Å; I528-F696 WeakPolarHBondContact O-CE1 3.06Å; I528-Y700 HydrophobicContact CB-CE2 4.36Å; I528-Y700 HydrophobicContact CG1-CE2 4.11Å; I528-Y700 HydrophobicContact CG2-CE2 3.96Å |
| 529 | R | 95.7 | Very high | 94.7 | Very high | 134 Ų | 134 | 72.4 Ų | 72.4 | 51% | 0.506 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -59.1 | -44.3 | 173.5 | -73.5 | 167 | 175.1 | 169.9 | -3.1 | 112.1 | V525 D526 R531 A685 | V525-R529 HydrophobicContact CG1-CG 4.46Å; V525-R529 VanDerWaalsContact CG1-NE 3.34Å; V525-R529 WeakPolarHBondContact O-CB 3.49Å; V525-R529 VanDerWaalsContact O-CG 3.25Å; V525-R529 WeakPolarHBondContact O-CG 3.32Å; V525-R529 PolarHBondContact O-N 3.3Å; D526-R529 PolarHBondContact O-N 3Å; D526-R529 IonicContact OD1-CZ 2.69Å; D526-R529 IonicContact OD1-NH1 3.59Å; D526-R529 PolarHBondContact OD1-NH1 3.37Å; R529-R531 PolarHBondContact O-N 3.44Å; R529-A685 HydrophobicContact CG-CB 4.11Å |
| 530 | A | 95.7 | Very high | 94.8 | Very high | 70 Ų | 70 | 62.5 Ų | 62.5 | 58% | 0.579 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -1.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | D526 I528 L532 | D526-A530 WeakPolarHBondContact O-CB 3.42Å; D526-A530 PolarHBondContact O-N 3.07Å; I528-A530 PolarHBondContact O-N 3.47Å; A530-L532 VanDerWaalsContact C-N 3.29Å; A530-L532 HydrophobicContact CB-CD2 4.35Å; A530-L532 HydrophobicContact CB-CG 4.31Å; A530-L532 PolarHBondContact O-N 2.67Å |
| 531 | R | 94.5 | Very high | 94.7 | Very high | 155 Ų | 155 | 61.6 Ų | 61.6 | 59% | 0.585 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 38.8 | 178 | -61.7 | 179.4 | 172.5 | -169.3 | -1.6 | 113.5 | S527 I528 R529 F696 K699 Y700 | S527-R531 PolarHBondContact O-N 2.79Å; I528-R531 WeakPolarHBondContact O-CA 3.43Å; I528-R531 PolarHBondContact O-N 3.26Å; R529-R531 PolarHBondContact O-N 3.44Å; R531-F696 HydrophobicContact CG-CE1 4.34Å; R531-K699 VanDerWaalsContact C-CE 3.49Å; R531-K699 HydrophobicContact CB-CD 4.3Å; R531-K699 WeakPolarHBondContact O-CE 3.14Å; R531-K699 PolarHBondContact O-NZ 3.15Å; R531-Y700 WeakPolarHBondContact CA-OH 3.47Å |
| 532 | L | 96 | Very high | 94.6 | Very high | 72 Ų | 72 | 64.7 Ų | 64.7 | 38% | 0.377 | 30% | 0.301 | S | S | . | . | trans | -59.9 | 161.5 | 175.8 | -60.9 | -171.1 | 0 | 0 | 0 | 112.3 | S527 A530 T536 V537 K699 Y700 | S527-L532 WeakPolarHBondContact O-CB 3.34Å; S527-L532 WeakPolarHBondContact O-CG 3.39Å; S527-L532 PolarHBondContact O-N 3.01Å; A530-L532 VanDerWaalsContact C-N 3.29Å; A530-L532 HydrophobicContact CB-CD2 4.35Å; A530-L532 HydrophobicContact CB-CG 4.31Å; A530-L532 PolarHBondContact O-N 2.67Å; L532-T536 HydrophobicContact CD1-CG2 4.36Å; L532-V537 HydrophobicContact CB-CG2 4.35Å; L532-K699 WeakPolarHBondContact O-CE 3.35Å; L532-K699 PolarHBondContact O-NZ 3.37Å; L532-Y700 PolarHBondContact N-OH 2.9Å; L532-Y700 WeakPolarHBondContact O-CE1 3.18Å; L532-Y700 PolarHBondContact O-OH 3.11Å | ||
| 533 | E | 95.3 | Very high | 94.4 | Very high | 123 Ų | 123 | 64.7 Ų | 64.7 | 58% | 0.575 | 31% | 0.307 | S | S | * | . | trans | -64.1 | 143.7 | -175.8 | -74.5 | -52.1 | 110 | 0 | 0 | 113.7 | Q535 T536 V537 K699 | E533-Q535 VanDerWaalsContact C-N 3.3Å; E533-Q535 PolarHBondContact O-N 2.96Å; E533-T536 WeakPolarHBondContact O-CA 3.49Å; E533-T536 WeakPolarHBondContact O-CB 3.35Å; E533-T536 PolarHBondContact O-N 2.96Å; E533-V537 PolarHBondContact O-N 3.46Å; E533-V537 VanDerWaalsContact O-N 3.15Å; E533-K699 IonicContact OE1-NZ 3.39Å; E533-K699 PolarHBondContact OE1-NZ 3.15Å | ||
| 534 | P | 94.4 | Very high | 93.8 | Very high | 24 Ų | 24 | 57.9 Ų | 57.9 | 16% | 0.156 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -49.6 | -44.8 | -176.8 | -32.3 | 38.8 | 0 | 0 | 0 | 114.4 | T536 V537 L538 Y700 V703 | P534-T536 PolarHBondContact O-N 2.74Å; P534-V537 PolarHBondContact O-N 3.11Å; P534-L538 WeakPolarHBondContact O-CB 3.35Å; P534-L538 PolarHBondContact O-N 3.44Å; P534-Y700 HydrophobicContact CB-CD1 4.3Å; P534-Y700 HydrophobicContact CG-CD1 4.24Å; P534-Y700 HydrophobicContact CG-CE1 4.42Å; P534-V703 HydrophobicContact CB-CG2 3.75Å; P534-V703 WeakPolarHBondContact O-CG2 3.49Å |
| 535 | Q | 94.3 | Very high | 93 | Very high | 151 Ų | 151 | 59.7 Ų | 59.7 | 71% | 0.706 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -65.4 | -23.8 | 178.7 | -65.1 | -178.9 | -3.8 | 0 | 0 | 113.6 | E533 R539 | E533-Q535 VanDerWaalsContact C-N 3.3Å; E533-Q535 PolarHBondContact O-N 2.96Å; Q535-R539 VanDerWaalsContact O-CG 3.26Å; Q535-R539 WeakPolarHBondContact O-CG 3.41Å; Q535-R539 PolarHBondContact O-N 3.01Å; Q535-R539 PolarHBondContact O-NE 3.35Å |
| 536 | T | 94.7 | Very high | 91.9 | Very high | 46 Ų | 46 | 66.1 Ų | 66.1 | 28% | 0.282 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -82.3 | -39.6 | 175.9 | -63 | 0 | 0 | 0 | 0 | 110.8 | L532 E533 P534 R539 I540 | L532-T536 HydrophobicContact CD1-CG2 4.36Å; E533-T536 WeakPolarHBondContact O-CA 3.49Å; E533-T536 WeakPolarHBondContact O-CB 3.35Å; E533-T536 PolarHBondContact O-N 2.96Å; P534-T536 PolarHBondContact O-N 2.74Å; T536-R539 PolarHBondContact OG1-NH2 3.3Å; T536-I540 HydrophobicContact CG2-CD1 4.3Å; T536-I540 WeakPolarHBondContact O-CD1 3.45Å; T536-I540 VanDerWaalsContact O-CG1 3.29Å; T536-I540 WeakPolarHBondContact O-CG1 3.49Å; T536-I540 PolarHBondContact O-N 2.95Å |
| 537 | V | 95 | Very high | 90.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 174.7 | 179.3 | 0 | 0 | 0 | 0 | 111.1 | L524 I528 L532 E533 P534 I540 A541 F678 Y700 | L524-V537 HydrophobicContact CD2-CG1 3.9Å; L524-V537 WeakPolarHBondContact CD2-O 3.1Å; I528-V537 HydrophobicContact CD1-CG1 4.18Å; I528-V537 HydrophobicContact CG1-CG1 3.96Å; I528-V537 HydrophobicContact CG1-CG2 4.42Å; L532-V537 HydrophobicContact CB-CG2 4.35Å; E533-V537 PolarHBondContact O-N 3.46Å; E533-V537 VanDerWaalsContact O-N 3.15Å; P534-V537 PolarHBondContact O-N 3.11Å; V537-I540 PolarHBondContact O-N 3.28Å; V537-A541 PolarHBondContact O-N 2.78Å; V537-F678 HydrophobicContact CG1-CD2 3.87Å; V537-F678 HydrophobicContact CG1-CE2 3.89Å; V537-Y700 HydrophobicContact CB-CD1 4.42Å; V537-Y700 HydrophobicContact CB-CE1 4.07Å; V537-Y700 HydrophobicContact CG1-CE1 4.5Å; V537-Y700 HydrophobicContact CG2-CD1 4.39Å; V537-Y700 HydrophobicContact CG2-CE1 3.58Å |
| 538 | L | 94.6 | Very high | 88.3 | Confident | 25 Ų | 25 | 70.9 Ų | 70.9 | 13% | 0.131 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54.8 | -54.4 | 175.3 | 177.1 | 62.5 | 0 | 0 | 0 | 111.8 | P534 I540 A541 E542 V703 T706 L707 | P534-L538 WeakPolarHBondContact O-CB 3.35Å; P534-L538 PolarHBondContact O-N 3.44Å; L538-I540 PolarHBondContact O-N 2.8Å; L538-A541 PolarHBondContact O-N 3.09Å; L538-E542 HydrophobicContact CD1-CG 4.03Å; L538-E542 HydrophobicContact CG-CG 4.3Å; L538-E542 WeakPolarHBondContact O-CG 3.26Å; L538-E542 PolarHBondContact O-N 2.82Å; L538-V703 HydrophobicContact CB-CG1 4.05Å; L538-V703 HydrophobicContact CB-CG2 4.35Å; L538-V703 HydrophobicContact CD1-CG1 4Å; L538-T706 HydrophobicContact CD1-CG2 4.16Å; L538-T706 HydrophobicContact CD2-CG2 4.02Å; L538-L707 HydrophobicContact CD1-CD1 4.41Å; L538-L707 HydrophobicContact CD1-CD2 3.81Å; L538-L707 HydrophobicContact CD1-CG 3.9Å |
| 539 | R | 93.2 | Very high | 85.8 | Confident | 138 Ų | 138 | 73.1 Ų | 73.1 | 52% | 0.521 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58 | -33.6 | -179.6 | -76.6 | 179.9 | -64.9 | 162.3 | 0.9 | 113.4 | Q535 T536 T543 | Q535-R539 VanDerWaalsContact O-CG 3.26Å; Q535-R539 WeakPolarHBondContact O-CG 3.41Å; Q535-R539 PolarHBondContact O-N 3.01Å; Q535-R539 PolarHBondContact O-NE 3.35Å; T536-R539 PolarHBondContact OG1-NH2 3.3Å; R539-T543 VanDerWaalsContact O-CB 3.29Å; R539-T543 WeakPolarHBondContact O-CB 3.24Å; R539-T543 PolarHBondContact O-N 2.91Å; R539-T543 PolarHBondContact O-OG1 3.47Å |
| 540 | I | 92.2 | Very high | 83.1 | Confident | 18 Ų | 18 | 76.5 Ų | 76.5 | 9% | 0.092 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.5 | -42.8 | 176.6 | -66.1 | 164.5 | 0 | 0 | 0 | 110.5 | R523 L524 S527 T536 V537 L538 A544 | R523-I540 HydrophobicContact CG-CG2 4.26Å; L524-I540 HydrophobicContact CD2-CB 3.83Å; L524-I540 HydrophobicContact CD2-CG2 3.67Å; L524-I540 HydrophobicContact CG-CB 4.46Å; L524-I540 HydrophobicContact CG-CG2 3.74Å; S527-I540 WeakPolarHBondContact OG-CD1 3.42Å; T536-I540 HydrophobicContact CG2-CD1 4.3Å; T536-I540 WeakPolarHBondContact O-CD1 3.45Å; T536-I540 VanDerWaalsContact O-CG1 3.29Å; T536-I540 WeakPolarHBondContact O-CG1 3.49Å; T536-I540 PolarHBondContact O-N 2.95Å; V537-I540 PolarHBondContact O-N 3.28Å; L538-I540 PolarHBondContact O-N 2.8Å; I540-A544 PolarHBondContact O-N 2.83Å |
| 541 | A | 91.3 | Very high | 80.4 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -67.1 | -42.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L524 V537 L538 A544 S545 A674 F678 | L524-A541 HydrophobicContact CD1-CB 4.15Å; L524-A541 HydrophobicContact CD2-CB 4.26Å; V537-A541 PolarHBondContact O-N 2.78Å; L538-A541 PolarHBondContact O-N 3.09Å; A541-A544 PolarHBondContact O-N 3.34Å; A541-S545 PolarHBondContact O-N 3.46Å; A541-A674 HydrophobicContact CB-CB 4.25Å; A541-F678 HydrophobicContact CB-CB 4.26Å |
| 542 | E | 91.6 | Very high | 78 | Confident | 67 Ų | 67 | 81.7 Ų | 81.7 | 31% | 0.313 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 176.7 | -67.7 | 170.9 | 149.3 | 0 | 0 | 112.1 | L538 A544 S545 Q546 | L538-E542 HydrophobicContact CD1-CG 4.03Å; L538-E542 HydrophobicContact CG-CG 4.3Å; L538-E542 WeakPolarHBondContact O-CG 3.26Å; L538-E542 PolarHBondContact O-N 2.82Å; E542-A544 VanDerWaalsContact C-N 3.29Å; E542-A544 PolarHBondContact O-N 2.95Å; E542-S545 PolarHBondContact O-N 3.26Å; E542-Q546 WeakPolarHBondContact O-CG 3.08Å; E542-Q546 PolarHBondContact O-N 3.34Å |
| 543 | T | 89.3 | Confident | 75.1 | Confident | 79 Ų | 79 | 82.5 Ų | 82.5 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.2 | -37.1 | 179.3 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | R539 S547 | R539-T543 VanDerWaalsContact O-CB 3.29Å; R539-T543 WeakPolarHBondContact O-CB 3.24Å; R539-T543 PolarHBondContact O-N 2.91Å; R539-T543 PolarHBondContact O-OG1 3.47Å; T543-S547 PolarHBondContact O-N 3.32Å; T543-S547 PolarHBondContact O-OG 2.79Å |
| 544 | A | 82 | Confident | 72.4 | Confident | 16 Ų | 16 | 83.8 Ų | 83.8 | 13% | 0.132 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.3 | -43.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A520 I540 A541 E542 S547 L677 | A520-A544 HydrophobicContact CB-CB 3.52Å; I540-A544 PolarHBondContact O-N 2.83Å; A541-A544 PolarHBondContact O-N 3.34Å; E542-A544 VanDerWaalsContact C-N 3.29Å; E542-A544 PolarHBondContact O-N 2.95Å; A544-S547 WeakPolarHBondContact O-CB 3.45Å; A544-S547 PolarHBondContact O-N 3.37Å; A544-L677 HydrophobicContact CB-CD1 3.66Å |
| 545 | S | 78.5 | Confident | 69.4 | Low | 38 Ų | 38 | 87.4 Ų | 87.4 | 27% | 0.266 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.8 | -46.2 | 175.7 | -164.9 | 0 | 0 | 0 | 0 | 112 | A541 E542 S547 R548 | A541-S545 PolarHBondContact O-N 3.46Å; E542-S545 PolarHBondContact O-N 3.26Å; S545-S547 PolarHBondContact O-N 3.26Å; S545-R548 WeakPolarHBondContact O-CB 3.44Å; S545-R548 PolarHBondContact O-N 3.26Å; S545-R548 VanDerWaalsContact O-N 3.16Å |
| 546 | Q | 73.7 | Confident | 66.5 | Low | 138 Ų | 138 | 89.3 Ų | 89.3 | 65% | 0.645 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -61.1 | -29.1 | 178.7 | -69.6 | 175.9 | 15.7 | 0 | 0 | 113.7 | E542 R548 G549 | E542-Q546 WeakPolarHBondContact O-CG 3.08Å; E542-Q546 PolarHBondContact O-N 3.34Å; Q546-R548 PolarHBondContact O-N 3.37Å; Q546-G549 PolarHBondContact O-N 2.68Å |
| 547 | S | 61.9 | Low | 63.7 | Low | 74 Ų | 74 | 92.8 Ų | 92.8 | 52% | 0.517 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.4 | -27.6 | 179.5 | -63 | 0 | 0 | 0 | 0 | 112.9 | T543 A544 S545 | T543-S547 PolarHBondContact O-N 3.32Å; T543-S547 PolarHBondContact O-OG 2.79Å; A544-S547 WeakPolarHBondContact O-CB 3.45Å; A544-S547 PolarHBondContact O-N 3.37Å; S545-S547 PolarHBondContact O-N 3.26Å |
| 548 | R | 54.1 | Low | 60.6 | Low | 121 Ų | 121 | 102.6 Ų | 102.6 | 46% | 0.457 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68 | -39 | 174.6 | -166 | 178.3 | -175.8 | -159.4 | 3.1 | 111.9 | S545 Q546 R550 R551 | S545-R548 WeakPolarHBondContact O-CB 3.44Å; S545-R548 PolarHBondContact O-N 3.26Å; S545-R548 VanDerWaalsContact O-N 3.16Å; Q546-R548 PolarHBondContact O-N 3.37Å; R548-R550 VanDerWaalsContact C-N 3.35Å; R548-R550 PolarHBondContact O-N 2.85Å; R548-R551 PolarHBondContact O-N 3.03Å |
| 549 | G | 44.6 | Very low | 57.9 | Low | 46 Ų | 46 | 109.5 Ų | 109.5 | 47% | 0.474 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.4 | -37.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q546 R551 | Q546-G549 PolarHBondContact O-N 2.68Å; G549-R551 PolarHBondContact O-N 2.94Å |
| 550 | R | 38 | Very low | 55.1 | Low | 205 Ų | 205 | 108.8 Ų | 108.8 | 77% | 0.774 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -17.7 | 179.6 | -72.9 | -169.2 | 179.3 | -167.5 | 0.3 | 115 | R548 S553 | R548-R550 VanDerWaalsContact C-N 3.35Å; R548-R550 PolarHBondContact O-N 2.85Å; R550-S553 PolarHBondContact O-OG 2.95Å |
| 551 | R | 39.9 | Very low | 52.5 | Low | 202 Ų | 202 | 114.8 Ų | 114.8 | 76% | 0.762 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -27.7 | 176.1 | -80.9 | -170 | 170.3 | -165 | -3.6 | 113.1 | R548 G549 S553 | R548-R551 PolarHBondContact O-N 3.03Å; G549-R551 PolarHBondContact O-N 2.94Å; R551-S553 VanDerWaalsContact C-N 3.29Å; R551-S553 PolarHBondContact O-N 3.41Å |
| 552 | L | 42.6 | Very low | 49.8 | Very low | 132 Ų | 132 | 118.1 Ų | 118.1 | 69% | 0.691 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | -11.2 | 178.3 | -69 | 166.9 | 0 | 0 | 0 | 113.3 | ||
| 553 | S | 36.6 | Very low | 47.1 | Very low | 90 Ų | 90 | 120.9 Ų | 120.9 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 21.7 | 178 | 69 | 0 | 0 | 0 | 0 | 113.7 | R550 R551 | R550-S553 PolarHBondContact O-OG 2.95Å; R551-S553 VanDerWaalsContact C-N 3.29Å; R551-S553 PolarHBondContact O-N 3.41Å |
| 554 | L | 38.3 | Very low | 44.5 | Very low | 149 Ų | 149 | 127 Ų | 127 | 78% | 0.78 | 67% | 0.667 | S | S | * | * | trans | -132.7 | 32.7 | -175.1 | -79.4 | 173.1 | 0 | 0 | 0 | 112.4 | ||||
| 555 | S | 31 | Very low | 42.3 | Very low | 101 Ų | 101 | 132.4 Ų | 132.4 | 71% | 0.706 | 69% | 0.694 | S | S | * | * | trans | -129.4 | 68.2 | 179.7 | 62 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 556 | E | 33.8 | Very low | 40.3 | Very low | 190 Ų | 190 | 136.8 Ų | 136.8 | 89% | 0.888 | 71% | 0.71 | S | S | * | * | trans | -110.6 | 154.1 | 154.2 | -72.5 | -164 | 147.6 | 0 | 0 | 109.4 | ||||
| 557 | P | 35.2 | Very low | 38.5 | Very low | 120 Ų | 120 | 139.3 Ų | 139.3 | 78% | 0.779 | 71% | 0.713 | S | S | * | * | trans | -81.8 | 151 | -164.5 | -12 | 30 | 0 | 0 | 0 | 113.9 | ||||
| 558 | F | 31.3 | Very low | 37.4 | Very low | 205 Ų | 205 | 141.6 Ų | 141.6 | 90% | 0.899 | 72% | 0.72 | S | S | * | * | trans | -17.2 | 124.2 | 160.5 | -54.3 | -93.6 | 0 | 0 | 0 | 116.6 | ||||
| 559 | D | 37.5 | Very low | 36.7 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 91% | 0.909 | 74% | 0.738 | S | S | * | * | trans | -141.7 | 166.5 | 140.3 | -133.7 | -32.6 | 0 | 0 | 0 | 110.5 | ||||
| 560 | N | 34.3 | Very low | 36.4 | Very low | 123 Ų | 123 | 149.7 Ų | 149.7 | 66% | 0.658 | 76% | 0.755 | S | S | * | * | trans | -102.3 | 174 | -147.1 | -170 | 47.1 | 0 | 0 | 0 | 117.1 | ||||
| 561 | D | 37 | Very low | 36.5 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 78% | 0.775 | 75% | 0.746 | S | S | * | * | trans | 75.3 | 143.9 | 167.3 | -61.4 | -54.2 | 0 | 0 | 0 | 118.1 | ||||
| 562 | G | 34.5 | Very low | 36.4 | Very low | 70 Ų | 70 | 138.2 Ų | 138.2 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | -171.1 | -64.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 563 | V | 35 | Very low | 36.1 | Very low | 125 Ų | 125 | 136.6 Ų | 136.6 | 76% | 0.758 | 74% | 0.742 | S | S | * | * | trans | 69.4 | 148.4 | 173.7 | 176.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 564 | R | 34.8 | Very low | 36.1 | Very low | 207 Ų | 207 | 139.1 Ų | 139.1 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | 77.4 | 116.6 | 170.3 | -86.8 | 148.7 | -174 | 163.7 | 6 | 116.8 | ||||
| 565 | D | 36 | Very low | 35.9 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | 79.6 | 133.2 | 71.5 | -63.4 | -7.3 | 0 | 0 | 0 | 109.7 | |||||
| 566 | E | 37 | Very low | 36.2 | Very low | 130 Ų | 130 | 139.7 Ų | 139.7 | 61% | 0.607 | 75% | 0.753 | S | S | * | * | cis | -168.5 | 165.6 | 9.7 | -128.3 | 179.1 | 178.5 | 0 | 0 | 109.3 | ||||
| 567 | R | 36.2 | Very low | 36.1 | Very low | 190 Ų | 190 | 140 Ų | 140 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | 67.6 | 153.2 | 152.5 | -68.8 | -174.8 | -117.6 | -158.4 | -4.4 | 119.3 | ||||
| 568 | D | 37.5 | Very low | 36.2 | Very low | 122 Ų | 122 | 140 Ų | 140 | 65% | 0.652 | 76% | 0.757 | S | S | * | * | cis | -147.4 | 153.4 | -8.4 | -94.9 | -30.6 | 0 | 0 | 0 | 111.1 | ||||
| 569 | E | 39.7 | Very low | 36.2 | Very low | 179 Ų | 179 | 137.2 Ų | 137.2 | 84% | 0.836 | 75% | 0.752 | S | S | * | * | trans | 5.8 | 148.3 | 136.8 | -47.6 | -178.9 | 156.9 | 0 | 0 | 119 | ||||
| 570 | D | 38.5 | Very low | 36.1 | Very low | 158 Ų | 158 | 137.6 Ų | 137.6 | 85% | 0.845 | 75% | 0.748 | S | S | * | * | cis | -152.1 | -159.6 | 5.9 | -159.1 | 26.7 | 0 | 0 | 0 | 108.5 | ||||
| 571 | A | 40 | Very low | 36.1 | Very low | 70 Ų | 70 | 135.5 Ų | 135.5 | 58% | 0.579 | 74% | 0.743 | S | S | * | * | cis | -161.3 | 170 | 10.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 572 | S | 37.2 | Very low | 35.8 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | trans | 16.9 | 118.1 | 148.1 | 62.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 573 | S | 37.1 | Very low | 35.7 | Very low | 97 Ų | 97 | 141.6 Ų | 141.6 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | 84.2 | 159.5 | 81 | 94.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 574 | D | 35.9 | Very low | 35.4 | Very low | 144 Ų | 144 | 144.2 Ų | 144.2 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | cis | -148.7 | 175.8 | 16.3 | -123.4 | -47.4 | 0 | 0 | 0 | 114.5 | ||||
| 575 | D | 35.1 | Very low | 35.4 | Very low | 142 Ų | 142 | 145.9 Ų | 145.9 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | trans | -58.5 | 154.8 | -178.2 | -84.3 | -39.6 | 0 | 0 | 0 | 117 | ||||
| 576 | S | 36.9 | Very low | 35 | Very low | 119 Ų | 119 | 150.9 Ų | 150.9 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | 174.1 | 141.5 | 106.7 | 43.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 577 | H | 32.5 | Very low | 34.9 | Very low | 196 Ų | 196 | 148.4 Ų | 148.4 | 91% | 0.907 | 78% | 0.782 | S | S | * | * | trans | -96.3 | 148 | 165.9 | -83.8 | -94.9 | 0 | 0 | 0 | 111.1 | ||||
| 578 | S | 36.3 | Very low | 34.5 | Very low | 121 Ų | 121 | 148.4 Ų | 148.4 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | trans | -157 | 143.4 | 151 | 48.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 579 | D | 30.9 | Very low | 34.2 | Very low | 147 Ų | 147 | 148 Ų | 148 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | -71.4 | 160.1 | 168.2 | -71.2 | -71.6 | 0 | 0 | 0 | 111.6 | ||||
| 580 | H | 36.1 | Very low | 34 | Very low | 178 Ų | 178 | 145 Ų | 145 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | -172.7 | 125.1 | 115.4 | -104.5 | -70.5 | 0 | 0 | 0 | 114.6 | |||||
| 581 | S | 33.6 | Very low | 33.8 | Very low | 79 Ų | 79 | 144.7 Ų | 144.7 | 55% | 0.552 | 79% | 0.786 | S | S | * | * | trans | 12.9 | 132.8 | 141.6 | 53.8 | 0 | 0 | 0 | 0 | 122 | ||||
| 582 | D | 30.3 | Very low | 33.3 | Very low | 154 Ų | 154 | 148 Ų | 148 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | 59.8 | 121.5 | 134.4 | -51.4 | -30.5 | 0 | 0 | 0 | 122.1 | ||||
| 583 | E | 32.4 | Very low | 33 | Very low | 189 Ų | 189 | 149.9 Ų | 149.9 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | -167.5 | 157.4 | 108 | -113.7 | -168.3 | -178.8 | 0 | 0 | 113.6 | |||||
| 584 | E | 30.1 | Very low | 32.7 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | -78.7 | 139.8 | 179.4 | -57 | -176.4 | 103.7 | 0 | 0 | 113.3 | ||||
| 585 | R | 33.9 | Very low | 32.3 | Very low | 241 Ų | 241 | 150.8 Ų | 150.8 | 91% | 0.909 | 80% | 0.804 | S | S | * | * | trans | -137.6 | 107.9 | 150 | -73.6 | -160.3 | 174.6 | -168.4 | -1.4 | 114.3 | G587 | R585-G587 PolarHBondContact O-N 2.86Š| ||
| 586 | R | 28.2 | Very low | 32.2 | Very low | 236 Ų | 236 | 151.8 Ų | 151.8 | 89% | 0.891 | 81% | 0.808 | S | S | * | * | trans | -57.2 | 128.9 | 163.9 | -83.6 | 175.8 | 163.3 | -173.4 | -0.8 | 111.4 | ||||
| 587 | G | 34.4 | Very low | 31.9 | Very low | 78 Ų | 78 | 151.2 Ų | 151.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | -125.9 | 115.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | R585 | R585-G587 PolarHBondContact O-N 2.86Š| ||
| 588 | K | 27.9 | Very low | 31.7 | Very low | 189 Ų | 189 | 149.1 Ų | 149.1 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | trans | -110.3 | 171.3 | 178 | -97.6 | -167.8 | 175.6 | -171.6 | 0 | 111 | ||||
| 589 | S | 30.4 | Very low | 31.6 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | 92.9 | 160.7 | 158.2 | 91.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 590 | P | 35.7 | Very low | 31.6 | Very low | 114 Ų | 114 | 150.5 Ų | 150.5 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | -139.1 | 176.6 | -103.2 | 34 | -11.3 | 0 | 0 | 0 | 115.2 | |||||
| 591 | I | 34.6 | Very low | 31.4 | Very low | 153 Ų | 153 | 149.6 Ų | 149.6 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 175.8 | 138.4 | 161 | -97.3 | 147.5 | 0 | 0 | 0 | 106.6 | ||||
| 592 | D | 29.7 | Very low | 31.4 | Very low | 140 Ų | 140 | 152.7 Ų | 152.7 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | cis | -143.8 | 139.5 | -20.2 | -94.1 | -30.7 | 0 | 0 | 0 | 107.3 | ||||
| 593 | T | 31.3 | Very low | 31.4 | Very low | 135 Ų | 135 | 155 Ų | 155 | 83% | 0.828 | 81% | 0.807 | S | S | * | * | trans | -93.2 | 120 | -179.6 | -53.2 | 0 | 0 | 0 | 0 | 110.7 | P595 | T593-P595 WeakPolarHBondContact O-CD 3.45Š| ||
| 594 | I | 29.5 | Very low | 31.5 | Very low | 150 Ų | 150 | 153.5 Ų | 153.5 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -85.3 | 115.8 | 165 | -59.5 | 176.6 | 0 | 0 | 0 | 107.5 | L596 | I594-L596 PolarHBondContact O-N 3.3Š| ||
| 595 | P | 29 | Very low | 31.8 | Very low | 111 Ų | 111 | 152.7 Ų | 152.7 | 72% | 0.721 | 81% | 0.806 | S | S | * | * | trans | -74.7 | 114.5 | 173.3 | 30 | -32 | 0 | 0 | 0 | 109.5 | T593 | T593-P595 WeakPolarHBondContact O-CD 3.45Š| ||
| 596 | L | 31.5 | Very low | 31.8 | Very low | 162 Ų | 162 | 146.1 Ų | 146.1 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | trans | -83.3 | 113.9 | 150.9 | -77.9 | 168.7 | 0 | 0 | 0 | 106.1 | I594 D598 | I594-L596 PolarHBondContact O-N 3.3Å; L596-D598 PolarHBondContact O-N 3.5Å | ||
| 597 | S | 31.6 | Very low | 32.4 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 76% | 0.755 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 122.6 | 176.4 | 50.2 | 0 | 0 | 0 | 0 | 110 | ||
| 598 | D | 28.7 | Very low | 32.8 | Very low | 151 Ų | 151 | 141.2 Ų | 141.2 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 131.2 | 167.7 | -61.1 | -64.7 | 0 | 0 | 0 | 110.1 | L596 | L596-D598 PolarHBondContact O-N 3.5Š|
| 599 | P | 34.2 | Very low | 33.2 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 132.1 | 153.4 | 31.9 | -28.2 | 0 | 0 | 0 | 108.2 | F601 | P599-F601 PolarHBondContact O-N 3.07Š|
| 600 | E | 30.8 | Very low | 33.6 | Very low | 195 Ų | 195 | 134 Ų | 134 | 91% | 0.911 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 125.9 | 178.4 | -65.5 | 159.5 | 137.2 | 0 | 0 | 110.6 | ||
| 601 | F | 32.4 | Very low | 33.9 | Very low | 159 Ų | 159 | 133 Ų | 133 | 70% | 0.697 | 72% | 0.72 | S | S | * | * | trans | -121.5 | 118.7 | 162.5 | -102.4 | -93.1 | 0 | 0 | 0 | 106.9 | H403 P599 | H403-F601 AromaticContact NE2-CE1 3.51Å; H403-F601 AromaticContact NE2-CZ 3.45Å; H403-F601 WeakPolarHBondContact NE2-CZ 3.41Å; P599-F601 PolarHBondContact O-N 3.07Å | ||
| 602 | D | 32.2 | Very low | 34.3 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 78% | 0.775 | 71% | 0.709 | S | S | * | * | trans | -58.6 | 150 | -178.9 | -71.1 | -61.9 | 0 | 0 | 0 | 112.4 | L604 | D602-L604 VanDerWaalsContact C-N 3.3Å; D602-L604 PolarHBondContact O-N 3.16Å | ||
| 603 | E | 30.4 | Very low | 35 | Very low | 203 Ų | 203 | 129.1 Ų | 129.1 | 95% | 0.949 | 69% | 0.694 | S | S | * | * | trans | -67.1 | 87.3 | 168.4 | -67.7 | -175.5 | 121.9 | 0 | 0 | 109.9 | ||||
| 604 | L | 35.9 | Very low | 35.7 | Very low | 156 Ų | 156 | 125.7 Ų | 125.7 | 82% | 0.817 | 67% | 0.669 | S | S | * | * | trans | -84.3 | 117.9 | 167.4 | -73.7 | 170.1 | 0 | 0 | 0 | 109.6 | D602 D606 | D602-L604 VanDerWaalsContact C-N 3.3Å; D602-L604 PolarHBondContact O-N 3.16Å; L604-D606 PolarHBondContact O-N 2.92Å | ||
| 605 | D | 36 | Very low | 36.5 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 87% | 0.872 | 65% | 0.653 | S | S | * | * | trans | -48.1 | 128.4 | 179.3 | -79.1 | -61 | 0 | 0 | 0 | 112.6 | P607 | D605-P607 VanDerWaalsContact O-CD 3.26Å; D605-P607 WeakPolarHBondContact O-CD 3.21Å | ||
| 606 | D | 32.4 | Very low | 37.4 | Very low | 103 Ų | 103 | 121.7 Ų | 121.7 | 55% | 0.551 | 64% | 0.64 | S | S | * | * | trans | -76.8 | 115.1 | -177 | -172.4 | 3.3 | 0 | 0 | 0 | 111.7 | L604 E608 K611 | L604-D606 PolarHBondContact O-N 2.92Å; D606-E608 PolarHBondContact O-N 3.22Å; D606-K611 WeakPolarHBondContact OD1-CE 3.45Å; D606-K611 IonicContact OD1-NZ 3.58Å; D606-K611 PolarHBondContact OD1-NZ 2.91Å; D606-K611 IonicContact OD2-NZ 3.47Å; D606-K611 PolarHBondContact OD2-NZ 3.42Å | ||
| 607 | P | 41.3 | Very low | 38.4 | Very low | 76 Ų | 76 | 118.6 Ų | 118.6 | 49% | 0.494 | 62% | 0.617 | S | S | . | * | trans | -77.8 | 72.4 | 178.6 | 34.1 | -36.2 | 0 | 0 | 0 | 111.2 | D605 P609 A610 | D605-P607 VanDerWaalsContact O-CD 3.26Å; D605-P607 WeakPolarHBondContact O-CD 3.21Å; P607-P609 VanDerWaalsContact C-N 3.31Å; P607-A610 HydrophobicContact CB-CB 4.3Å; P607-A610 HydrophobicContact CG-CB 4.5Å; P607-A610 WeakPolarHBondContact O-CB 3.45Å; P607-A610 PolarHBondContact O-N 3.16Å | ||
| 608 | E | 42.7 | Very low | 39.3 | Very low | 136 Ų | 136 | 114.9 Ų | 114.9 | 64% | 0.636 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -47.2 | -40.5 | 175.7 | -150.7 | -168.6 | -162.7 | 0 | 0 | 114.9 | D606 A610 K611 Q612 | D606-E608 PolarHBondContact O-N 3.22Å; E608-A610 VanDerWaalsContact C-N 3.31Å; E608-A610 PolarHBondContact O-N 3.34Å; E608-K611 PolarHBondContact O-N 3.41Å; E608-Q612 PolarHBondContact O-N 3.28Å; E608-Q612 VanDerWaalsContact O-N 3.15Å |
| 609 | P | 37.5 | Very low | 40.5 | Very low | 98 Ų | 98 | 113.6 Ų | 113.6 | 64% | 0.636 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.3 | -36.3 | 176.1 | 21 | -34 | 0 | 0 | 0 | 113.9 | P607 K611 Q612 E613 | P607-P609 VanDerWaalsContact C-N 3.31Å; P609-K611 VanDerWaalsContact C-N 3.33Å; P609-K611 PolarHBondContact O-N 2.64Å; P609-Q612 WeakPolarHBondContact O-CB 3.24Å; P609-Q612 PolarHBondContact O-N 2.86Å; P609-Q612 VanDerWaalsContact O-N 3.09Å; P609-E613 PolarHBondContact O-N 3.27Å |
| 610 | A | 38.5 | Very low | 41.1 | Very low | 55 Ų | 55 | 111.6 Ų | 111.6 | 46% | 0.455 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64 | -40.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P607 E608 Q612 E613 M614 | P607-A610 HydrophobicContact CB-CB 4.3Å; P607-A610 HydrophobicContact CG-CB 4.5Å; P607-A610 WeakPolarHBondContact O-CB 3.45Å; P607-A610 PolarHBondContact O-N 3.16Å; E608-A610 VanDerWaalsContact C-N 3.31Å; E608-A610 PolarHBondContact O-N 3.34Å; A610-Q612 VanDerWaalsContact C-N 3.29Å; A610-Q612 PolarHBondContact O-N 2.67Å; A610-E613 PolarHBondContact O-N 2.73Å; A610-M614 VanDerWaalsContact O-CB 3.23Å; A610-M614 WeakPolarHBondContact O-CB 3.41Å; A610-M614 PolarHBondContact O-N 2.86Å |
| 611 | K | 42 | Very low | 42.2 | Very low | 91 Ų | 91 | 105.3 Ų | 105.3 | 40% | 0.396 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64.7 | -33.2 | 174.2 | -64.1 | 175.2 | -177.3 | 174.5 | 0 | 111.9 | D606 E608 P609 R615 | D606-K611 WeakPolarHBondContact OD1-CE 3.45Å; D606-K611 IonicContact OD1-NZ 3.58Å; D606-K611 PolarHBondContact OD1-NZ 2.91Å; D606-K611 IonicContact OD2-NZ 3.47Å; D606-K611 PolarHBondContact OD2-NZ 3.42Å; E608-K611 PolarHBondContact O-N 3.41Å; P609-K611 VanDerWaalsContact C-N 3.33Å; P609-K611 PolarHBondContact O-N 2.64Å; K611-R615 WeakPolarHBondContact O-CD 3.48Å; K611-R615 VanDerWaalsContact O-CG 3.23Å; K611-R615 WeakPolarHBondContact O-CG 3.01Å; K611-R615 PolarHBondContact O-N 3.16Å |
| 612 | Q | 42.9 | Very low | 43.1 | Very low | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.9 | -43.2 | 177.2 | -158.1 | 81.7 | -59 | 0 | 0 | 112.1 | E608 P609 A610 R615 S616 | E608-Q612 PolarHBondContact O-N 3.28Å; E608-Q612 VanDerWaalsContact O-N 3.15Å; P609-Q612 WeakPolarHBondContact O-CB 3.24Å; P609-Q612 PolarHBondContact O-N 2.86Å; P609-Q612 VanDerWaalsContact O-N 3.09Å; A610-Q612 VanDerWaalsContact C-N 3.29Å; A610-Q612 PolarHBondContact O-N 2.67Å; Q612-R615 WeakPolarHBondContact O-CB 3.4Å; Q612-R615 PolarHBondContact O-N 3.49Å; Q612-S616 PolarHBondContact O-N 2.72Å |
| 613 | E | 43.8 | Very low | 43.8 | Very low | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70 | -40.5 | 178.2 | -165 | -179.2 | 128.4 | 0 | 0 | 112 | P609 A610 R615 S616 R617 | P609-E613 PolarHBondContact O-N 3.27Å; A610-E613 PolarHBondContact O-N 2.73Å; E613-R615 VanDerWaalsContact C-N 3.3Å; E613-R615 PolarHBondContact O-N 2.9Å; E613-S616 PolarHBondContact O-N 3.41Å; E613-S616 PolarHBondContact O-OG 2.74Å; E613-R617 PolarHBondContact O-N 2.67Å; E613-R617 IonicContact OE1-CZ 3.99Å; E613-R617 IonicContact OE1-NH1 3.1Å; E613-R617 PolarHBondContact OE1-NH1 3.05Å; E613-R617 IonicContact OE1-NH2 2.62Å; E613-R617 PolarHBondContact OE1-NH2 3.07Å |
| 614 | M | 45.5 | Very low | 44.8 | Very low | 63 Ų | 63 | 96.7 Ų | 96.7 | 31% | 0.31 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -54.3 | -46.6 | 170.7 | -173.7 | -171.6 | -167.6 | 0 | 0 | 111.3 | L411 A610 S616 R617 L618 | L411-M614 HydrophobicContact CB-CE 4.13Å; L411-M614 HydrophobicContact CD1-CE 4Å; L411-M614 HydrophobicContact CD1-CG 4.15Å; A610-M614 VanDerWaalsContact O-CB 3.23Å; A610-M614 WeakPolarHBondContact O-CB 3.41Å; A610-M614 PolarHBondContact O-N 2.86Å; M614-S616 VanDerWaalsContact C-N 3.29Å; M614-S616 PolarHBondContact O-N 2.88Å; M614-R617 PolarHBondContact O-N 3.38Å; M614-L618 HydrophobicContact CG-CD1 3.91Å; M614-L618 WeakPolarHBondContact O-CD1 3.38Å; M614-L618 PolarHBondContact O-N 2.77Å |
| 615 | R | 46.8 | Very low | 45.2 | Very low | 111 Ų | 111 | 92.5 Ų | 92.5 | 42% | 0.419 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.4 | -29.4 | 175.9 | -74.2 | 166.7 | 175.9 | 160.5 | 1.4 | 113.2 | K611 Q612 E613 K619 | K611-R615 WeakPolarHBondContact O-CD 3.48Å; K611-R615 VanDerWaalsContact O-CG 3.23Å; K611-R615 WeakPolarHBondContact O-CG 3.01Å; K611-R615 PolarHBondContact O-N 3.16Å; Q612-R615 WeakPolarHBondContact O-CB 3.4Å; Q612-R615 PolarHBondContact O-N 3.49Å; E613-R615 VanDerWaalsContact C-N 3.3Å; E613-R615 PolarHBondContact O-N 2.9Å; R615-K619 WeakPolarHBondContact O-CD 3.36Å; R615-K619 VanDerWaalsContact O-CG 3.26Å; R615-K619 WeakPolarHBondContact O-CG 3.47Å; R615-K619 PolarHBondContact O-N 3.11Å |
| 616 | S | 47.8 | Very low | 45.7 | Very low | 66 Ų | 66 | 90.8 Ų | 90.8 | 46% | 0.462 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -77.8 | -42 | 176 | 73.2 | 0 | 0 | 0 | 0 | 111.9 | Q612 E613 M614 K619 A620 | Q612-S616 PolarHBondContact O-N 2.72Å; E613-S616 PolarHBondContact O-N 3.41Å; E613-S616 PolarHBondContact O-OG 2.74Å; M614-S616 VanDerWaalsContact C-N 3.29Å; M614-S616 PolarHBondContact O-N 2.88Å; S616-K619 PolarHBondContact O-N 2.78Å; S616-A620 PolarHBondContact O-N 2.72Å |
| 617 | R | 52.7 | Low | 46.4 | Very low | 96 Ų | 96 | 89.8 Ų | 89.8 | 36% | 0.362 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 174.3 | -72.8 | -160.1 | -177.3 | 80.8 | 13.9 | 112.3 | N300 E613 M614 K619 A620 R621 | N300-R617 PolarHBondContact OD1-NH2 2.89Å; E613-R617 PolarHBondContact O-N 2.67Å; E613-R617 IonicContact OE1-CZ 3.99Å; E613-R617 IonicContact OE1-NH1 3.1Å; E613-R617 PolarHBondContact OE1-NH1 3.05Å; E613-R617 IonicContact OE1-NH2 2.62Å; E613-R617 PolarHBondContact OE1-NH2 3.07Å; M614-R617 PolarHBondContact O-N 3.38Å; R617-K619 VanDerWaalsContact C-N 3.34Å; R617-K619 PolarHBondContact O-N 2.7Å; R617-A620 PolarHBondContact O-N 3.35Å; R617-R621 PolarHBondContact O-N 3.18Å |
| 618 | L | 50.3 | Low | 46.5 | Very low | 30 Ų | 30 | 88.5 Ų | 88.5 | 16% | 0.157 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 175.1 | -90.4 | 98.3 | 0 | 0 | 0 | 112 | L411 A414 M614 A620 R621 R622 | L411-L618 HydrophobicContact CD1-CD1 3.72Å; A414-L618 HydrophobicContact CB-CD2 4.31Å; M614-L618 HydrophobicContact CG-CD1 3.91Å; M614-L618 WeakPolarHBondContact O-CD1 3.38Å; M614-L618 PolarHBondContact O-N 2.77Å; L618-A620 PolarHBondContact O-N 3.48Å; L618-R621 PolarHBondContact O-N 2.74Å; L618-R622 WeakPolarHBondContact O-CB 3.45Å; L618-R622 WeakPolarHBondContact O-CG 3.37Å; L618-R622 PolarHBondContact O-N 3.38Å |
| 619 | K | 54.6 | Low | 46.3 | Very low | 124 Ų | 124 | 84.3 Ų | 84.3 | 54% | 0.539 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.8 | -40.8 | 177 | -77.3 | 173 | -177.3 | 175 | 0 | 113.2 | E454 R615 S616 R617 R623 | E454-K619 VanDerWaalsContact OE2-CE 3.28Å; E454-K619 WeakPolarHBondContact OE2-CE 3.49Å; E454-K619 WeakPolarHBondContact OE2-CG 3.42Å; R615-K619 WeakPolarHBondContact O-CD 3.36Å; R615-K619 VanDerWaalsContact O-CG 3.26Å; R615-K619 WeakPolarHBondContact O-CG 3.47Å; R615-K619 PolarHBondContact O-N 3.11Å; S616-K619 PolarHBondContact O-N 2.78Å; R617-K619 VanDerWaalsContact C-N 3.34Å; R617-K619 PolarHBondContact O-N 2.7Å; K619-R623 PolarHBondContact O-N 3.43Å |
| 620 | A | 46.3 | Very low | 46.5 | Very low | 61 Ų | 61 | 85.9 Ų | 85.9 | 50% | 0.504 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.5 | -47.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | S616 R617 L618 R623 I624 | S616-A620 PolarHBondContact O-N 2.72Å; R617-A620 PolarHBondContact O-N 3.35Å; L618-A620 PolarHBondContact O-N 3.48Å; A620-R623 WeakPolarHBondContact O-CB 3.45Å; A620-R623 PolarHBondContact O-N 2.85Å; A620-R623 VanDerWaalsContact O-N 3.16Å; A620-I624 PolarHBondContact O-N 3.33Å |
| 621 | R | 53.3 | Low | 46.9 | Very low | 63 Ų | 63 | 90 Ų | 90 | 24% | 0.238 | 43% | 0.428 | C | S | . | . | H | α-helix | trans | -69.3 | -36.3 | -178.5 | -150.9 | 179 | -167.4 | -177 | 12 | 113.2 | T292 D293 V294 R617 L618 R623 I624 L625 | T292-R621 PolarHBondContact O-NH2 3.43Å; D293-R621 PolarHBondContact O-NH1 3.42Å; D293-R621 PolarHBondContact O-NH2 3.14Å; V294-R621 PolarHBondContact O-NH2 2.98Å; R617-R621 PolarHBondContact O-N 3.18Å; L618-R621 PolarHBondContact O-N 2.74Å; R621-R623 PolarHBondContact O-N 3.06Å; R621-I624 PolarHBondContact O-N 3.1Å; R621-I624 VanDerWaalsContact O-N 3.12Å; R621-L625 PolarHBondContact O-N 3.5Å |
| 622 | R | 52.1 | Low | 46.9 | Very low | 31 Ų | 31 | 91.8 Ų | 91.8 | 12% | 0.117 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -59.8 | -28.6 | 171.7 | -73.9 | -164.3 | -151.1 | 98.4 | -12.3 | 113 | E418 E454 L618 R626 | E418-R622 IonicContact OE1-CZ 3.58Å; E418-R622 IonicContact OE1-NE 2.66Å; E418-R622 PolarHBondContact OE1-NE 2.86Å; E418-R622 IonicContact OE1-NH2 2.7Å; E418-R622 PolarHBondContact OE1-NH2 2.98Å; E454-R622 VanDerWaalsContact CD-CZ 3.45Å; E454-R622 VanDerWaalsContact CD-NH2 3.29Å; E454-R622 IonicContact OE1-CZ 2.78Å; E454-R622 VanDerWaalsContact OE1-CZ 3.28Å; E454-R622 IonicContact OE1-NH1 3.23Å; E454-R622 PolarHBondContact OE1-NH1 2.69Å; E454-R622 VanDerWaalsContact OE1-NH1 3.15Å; E454-R622 IonicContact OE1-NH2 3.63Å; E454-R622 PolarHBondContact OE1-NH2 3.11Å; E454-R622 IonicContact OE2-CZ 2.92Å; E454-R622 IonicContact OE2-NH1 2.7Å; E454-R622 PolarHBondContact OE2-NH1 2.93Å; E454-R622 IonicContact OE2-NH2 3.11Å; L618-R622 WeakPolarHBondContact O-CB 3.45Å; L618-R622 WeakPolarHBondContact O-CG 3.37Å; L618-R622 PolarHBondContact O-N 3.38Å; R622-R626 WeakPolarHBondContact O-CB 3.45Å; R622-R626 WeakPolarHBondContact O-CG 3.26Å; R622-R626 PolarHBondContact O-N 3.33Å |
| 623 | R | 47.9 | Very low | 46.7 | Very low | 177 Ų | 177 | 92.1 Ų | 92.1 | 67% | 0.668 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -68.1 | -46.5 | 173.2 | -168.5 | 178.3 | -177.4 | 153.9 | 6.4 | 111.3 | K619 A620 R621 R626 E627 | K619-R623 PolarHBondContact O-N 3.43Å; A620-R623 WeakPolarHBondContact O-CB 3.45Å; A620-R623 PolarHBondContact O-N 2.85Å; A620-R623 VanDerWaalsContact O-N 3.16Å; R621-R623 PolarHBondContact O-N 3.06Å; R623-R626 PolarHBondContact O-N 2.95Å; R623-E627 WeakPolarHBondContact CG-OE1 3.47Å; R623-E627 IonicContact NE-OE1 3.53Å; R623-E627 PolarHBondContact NE-OE1 3.35Å; R623-E627 WeakPolarHBondContact O-CB 3.46Å; R623-E627 WeakPolarHBondContact O-CG 3.42Å; R623-E627 PolarHBondContact O-N 3.23Å |
| 624 | I | 50.3 | Low | 46.6 | Very low | 117 Ų | 117 | 92.8 Ų | 92.8 | 60% | 0.6 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -61.9 | -46.5 | 177.6 | -62.8 | 162.2 | 0 | 0 | 0 | 110.9 | A620 R621 E627 S628 | A620-I624 PolarHBondContact O-N 3.33Å; R621-I624 PolarHBondContact O-N 3.1Å; R621-I624 VanDerWaalsContact O-N 3.12Å; I624-E627 PolarHBondContact O-N 2.9Å; I624-S628 WeakPolarHBondContact O-CB 3.21Å; I624-S628 PolarHBondContact O-N 3.12Å |
| 625 | L | 45 | Very low | 46.3 | Very low | 69 Ų | 69 | 98.6 Ų | 98.6 | 36% | 0.361 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 178.1 | -71.6 | 170.9 | 0 | 0 | 0 | 111.9 | R621 E627 S628 A629 | R621-L625 PolarHBondContact O-N 3.5Å; L625-E627 PolarHBondContact O-N 3.37Å; L625-S628 WeakPolarHBondContact O-CB 3.42Å; L625-S628 PolarHBondContact O-N 2.93Å; L625-A629 WeakPolarHBondContact O-CB 3.39Å; L625-A629 PolarHBondContact O-N 3.42Å |
| 626 | R | 47.2 | Very low | 46 | Very low | 127 Ų | 127 | 100.6 Ų | 100.6 | 48% | 0.479 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.6 | -41.3 | 175.2 | -79.1 | -174.2 | 174.5 | -173.6 | -0.5 | 113.3 | R622 R623 S628 A629 M630 | R622-R626 WeakPolarHBondContact O-CB 3.45Å; R622-R626 WeakPolarHBondContact O-CG 3.26Å; R622-R626 PolarHBondContact O-N 3.33Å; R623-R626 PolarHBondContact O-N 2.95Å; R626-S628 VanDerWaalsContact C-N 3.28Å; R626-S628 PolarHBondContact O-N 3.29Å; R626-A629 PolarHBondContact O-N 2.99Å; R626-M630 WeakPolarHBondContact O-CB 3.48Å; R626-M630 WeakPolarHBondContact O-CG 3.41Å; R626-M630 PolarHBondContact O-N 3.41Å |
| 627 | E | 46 | Very low | 45.3 | Very low | 81 Ų | 81 | 101.6 Ų | 101.6 | 38% | 0.379 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.9 | -34.5 | 175.9 | -75.2 | -177.8 | -150.9 | 0 | 0 | 111.6 | R623 I624 L625 K631 | R623-E627 WeakPolarHBondContact CG-OE1 3.47Å; R623-E627 IonicContact NE-OE1 3.53Å; R623-E627 PolarHBondContact NE-OE1 3.35Å; R623-E627 WeakPolarHBondContact O-CB 3.46Å; R623-E627 WeakPolarHBondContact O-CG 3.42Å; R623-E627 PolarHBondContact O-N 3.23Å; I624-E627 PolarHBondContact O-N 2.9Å; L625-E627 PolarHBondContact O-N 3.37Å; E627-K631 VanDerWaalsContact O-CB 3.31Å; E627-K631 WeakPolarHBondContact O-CB 3.42Å; E627-K631 WeakPolarHBondContact O-CD 3.47Å; E627-K631 WeakPolarHBondContact O-CG 3.42Å; E627-K631 PolarHBondContact O-N 3.05Å; E627-K631 VanDerWaalsContact O-N 3.11Å; E627-K631 IonicContact OE2-NZ 2.73Å |
| 628 | S | 43.7 | Very low | 44.2 | Very low | 49 Ų | 49 | 105.4 Ų | 105.4 | 34% | 0.343 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -44.7 | 173.9 | -161 | 0 | 0 | 0 | 0 | 112 | I624 L625 R626 K631 R632 | I624-S628 WeakPolarHBondContact O-CB 3.21Å; I624-S628 PolarHBondContact O-N 3.12Å; L625-S628 WeakPolarHBondContact O-CB 3.42Å; L625-S628 PolarHBondContact O-N 2.93Å; R626-S628 VanDerWaalsContact C-N 3.28Å; R626-S628 PolarHBondContact O-N 3.29Å; S628-K631 PolarHBondContact O-N 2.9Å; S628-R632 WeakPolarHBondContact O-CG 3.47Å; S628-R632 PolarHBondContact O-N 3.24Å; S628-R632 VanDerWaalsContact O-N 3.17Å |
| 629 | A | 38.9 | Very low | 43.6 | Very low | 48 Ų | 48 | 111 Ų | 111 | 40% | 0.397 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.4 | -44.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L625 R626 K631 R632 N633 | L625-A629 WeakPolarHBondContact O-CB 3.39Å; L625-A629 PolarHBondContact O-N 3.42Å; R626-A629 PolarHBondContact O-N 2.99Å; A629-K631 PolarHBondContact O-N 2.9Å; A629-R632 PolarHBondContact O-N 3.33Å; A629-R632 VanDerWaalsContact O-N 3.13Å; A629-N633 PolarHBondContact O-N 3.33Å |
| 630 | M | 41.7 | Very low | 42.6 | Very low | 132 Ų | 132 | 111.9 Ų | 111.9 | 65% | 0.65 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.9 | -42.9 | 174 | -78.1 | -178.5 | 130.4 | 0 | 0 | 111.7 | R626 R632 N633 L634 | R626-M630 WeakPolarHBondContact O-CB 3.48Å; R626-M630 WeakPolarHBondContact O-CG 3.41Å; R626-M630 PolarHBondContact O-N 3.41Å; M630-R632 PolarHBondContact O-N 3.26Å; M630-N633 PolarHBondContact O-N 2.92Å; M630-L634 WeakPolarHBondContact O-CB 3.46Å; M630-L634 WeakPolarHBondContact O-CG 3.41Å; M630-L634 PolarHBondContact O-N 2.76Å |
| 631 | K | 46 | Very low | 42 | Very low | 140 Ų | 140 | 113.6 Ų | 113.6 | 61% | 0.609 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.6 | -16.7 | 176.3 | -73.7 | 165.3 | -170.5 | 157.4 | 0 | 113.8 | E627 S628 A629 | E627-K631 VanDerWaalsContact O-CB 3.31Å; E627-K631 WeakPolarHBondContact O-CB 3.42Å; E627-K631 WeakPolarHBondContact O-CD 3.47Å; E627-K631 WeakPolarHBondContact O-CG 3.42Å; E627-K631 PolarHBondContact O-N 3.05Å; E627-K631 VanDerWaalsContact O-N 3.11Å; E627-K631 IonicContact OE2-NZ 2.73Å; S628-K631 PolarHBondContact O-N 2.9Å; A629-K631 PolarHBondContact O-N 2.9Å |
| 632 | R | 41.8 | Very low | 41 | Very low | 130 Ų | 130 | 118.3 Ų | 118.3 | 49% | 0.491 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -86.9 | -50.3 | 170.7 | -67.7 | 173.5 | -165.1 | -172.6 | 2.7 | 111.3 | S628 A629 M630 L634 K635 | S628-R632 WeakPolarHBondContact O-CG 3.47Å; S628-R632 PolarHBondContact O-N 3.24Å; S628-R632 VanDerWaalsContact O-N 3.17Å; A629-R632 PolarHBondContact O-N 3.33Å; A629-R632 VanDerWaalsContact O-N 3.13Å; M630-R632 PolarHBondContact O-N 3.26Å; R632-L634 PolarHBondContact O-N 2.95Å; R632-K635 WeakPolarHBondContact O-CB 3.49Å; R632-K635 PolarHBondContact O-N 3.18Å; R632-K635 VanDerWaalsContact O-N 3.11Å |
| 633 | N | 40.1 | Very low | 40.1 | Very low | 124 Ų | 124 | 125.8 Ų | 125.8 | 66% | 0.663 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.6 | -35.4 | -177 | -70.9 | -0.3 | 0 | 0 | 0 | 113.2 | A629 M630 K635 I636 | A629-N633 PolarHBondContact O-N 3.33Å; M630-N633 PolarHBondContact O-N 2.92Å; N633-K635 PolarHBondContact O-N 2.85Å; N633-K635 VanDerWaalsContact O-N 3.1Å; N633-I636 PolarHBondContact O-N 2.79Å |
| 634 | L | 40.6 | Very low | 39.3 | Very low | 109 Ų | 109 | 126.3 Ų | 126.3 | 57% | 0.571 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -61.3 | -16.9 | 174.3 | -81.6 | 161.9 | 0 | 0 | 0 | 113.6 | M630 R632 I636 | M630-L634 WeakPolarHBondContact O-CB 3.46Å; M630-L634 WeakPolarHBondContact O-CG 3.41Å; M630-L634 PolarHBondContact O-N 2.76Å; R632-L634 PolarHBondContact O-N 2.95Å; L634-I636 VanDerWaalsContact C-N 3.27Å; L634-I636 PolarHBondContact O-N 3.03Å |
| 635 | K | 40.1 | Very low | 38.4 | Very low | 185 Ų | 185 | 127.4 Ų | 127.4 | 80% | 0.804 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -84.7 | 6.3 | -176.7 | -130.4 | -178.6 | -175 | -173.9 | 0 | 114.8 | R632 N633 | R632-K635 WeakPolarHBondContact O-CB 3.49Å; R632-K635 PolarHBondContact O-N 3.18Å; R632-K635 VanDerWaalsContact O-N 3.11Å; N633-K635 PolarHBondContact O-N 2.85Å; N633-K635 VanDerWaalsContact O-N 3.1Å |
| 636 | I | 40.4 | Very low | 37.7 | Very low | 154 Ų | 154 | 127.1 Ų | 127.1 | 79% | 0.79 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -120 | -4.8 | -179.1 | -61.4 | 179.6 | 0 | 0 | 0 | 111.4 | N633 L634 | N633-I636 PolarHBondContact O-N 2.79Å; L634-I636 VanDerWaalsContact C-N 3.27Å; L634-I636 PolarHBondContact O-N 3.03Å |
| 637 | S | 33.4 | Very low | 36.8 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 61% | 0.608 | 69% | 0.691 | S | S | * | * | trans | -144 | 62.3 | -175.1 | 66.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 638 | E | 29.7 | Very low | 36 | Very low | 176 Ų | 176 | 135 Ų | 135 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | trans | -113.1 | 77.6 | 163.3 | -75 | -170.2 | 145.8 | 0 | 0 | 109.7 | ||||
| 639 | D | 37 | Very low | 35.1 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 79% | 0.786 | 74% | 0.735 | S | S | * | * | trans | -157.3 | 137.2 | 156.5 | -132.6 | -21.9 | 0 | 0 | 0 | 111.5 | ||||
| 640 | N | 33.8 | Very low | 34.8 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 77% | 0.765 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 67.7 | 108.9 | 173.8 | -61 | -74.4 | 0 | 0 | 0 | 121.1 | ||
| 641 | A | 34.2 | Very low | 34.3 | Very low | 97 Ų | 97 | 139.9 Ų | 139.9 | 80% | 0.802 | 75% | 0.748 | S | S | * | * | trans | 87.1 | 109.2 | 131.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 642 | D | 30.6 | Very low | 33.5 | Very low | 162 Ų | 162 | 140.5 Ų | 140.5 | 87% | 0.866 | 76% | 0.763 | S | S | * | * | trans | -64.6 | 138.1 | 156.4 | -59 | -90.2 | 0 | 0 | 0 | 112 | ||||
| 643 | E | 34.2 | Very low | 33 | Very low | 187 Ų | 187 | 142.9 Ų | 142.9 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -146.2 | 137.8 | 143.7 | -146.4 | 170.7 | -147.5 | 0 | 0 | 111.4 | ||||
| 644 | Q | 30.5 | Very low | 32.5 | Very low | 189 Ų | 189 | 146.4 Ų | 146.4 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | trans | -95.5 | 119.2 | -173.9 | -62.7 | 177.8 | 11.2 | 0 | 0 | 111 | ||||
| 645 | V | 31.3 | Very low | 31.9 | Very low | 140 Ų | 140 | 148.9 Ų | 148.9 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -121.6 | 119.7 | 167.5 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 646 | G | 31.2 | Very low | 31.2 | Very low | 63 Ų | 63 | 145.1 Ų | 145.1 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | trans | -79 | 154.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | R648 | G646-R648 PolarHBondContact O-N 3.19Š| ||
| 647 | V | 26.9 | Very low | 30.4 | Very low | 150 Ų | 150 | 148.3 Ų | 148.3 | 91% | 0.909 | 81% | 0.805 | S | S | * | * | trans | -60.8 | 117.2 | 175.5 | 179.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 648 | R | 29.2 | Very low | 30.1 | Very low | 223 Ų | 223 | 150.4 Ų | 150.4 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | trans | -111.7 | 125.6 | 159.4 | -77.1 | -169 | 175.1 | 177 | 0.4 | 110.2 | G646 | G646-R648 PolarHBondContact O-N 3.19Š| ||
| 649 | S | 26.4 | Very low | 30 | Very low | 116 Ų | 116 | 148.3 Ų | 148.3 | 81% | 0.811 | 81% | 0.814 | S | S | * | * | trans | -88.4 | 105.5 | 167.2 | 154.6 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 650 | D | 31.2 | Very low | 29.6 | Very low | 121 Ų | 121 | 145.4 Ų | 145.4 | 65% | 0.647 | 81% | 0.81 | S | S | * | * | trans | -123.5 | 114.7 | 174.3 | -97.8 | -59.9 | 0 | 0 | 0 | 112.8 | ||||
| 651 | S | 31.4 | Very low | 29.9 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 66% | 0.664 | 81% | 0.807 | S | S | * | * | 51.8 | 99.8 | 117.4 | -49.5 | 0 | 0 | 0 | 0 | 117.3 | E653 | S651-E653 PolarHBondContact O-N 3.25Š| |||
| 652 | V | 30.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -67.6 | 93.4 | 167.1 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 653 | E | 31.5 | Very low | 32.1 | Very low | 181 Ų | 181 | 144 Ų | 144 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -78.6 | 128.7 | 178.1 | -150.8 | 170.3 | -142.2 | 0 | 0 | 110.7 | S651 L655 | S651-E653 PolarHBondContact O-N 3.25Å; E653-L655 PolarHBondContact O-N 3.29Å | ||
| 654 | K | 28.6 | Very low | 34.1 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | trans | -83.9 | 102.6 | 178.8 | -70.8 | 179.5 | 178.4 | 177.8 | 0 | 109.5 | ||||
| 655 | L | 28 | Very low | 36.4 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 85% | 0.848 | 74% | 0.742 | S | S | * | * | trans | -56.6 | 141.2 | 165.6 | -76 | 168.6 | 0 | 0 | 0 | 110.3 | E653 | E653-L655 PolarHBondContact O-N 3.29Š| ||
| 656 | P | 25.7 | Very low | 39 | Very low | 106 Ų | 106 | 126 Ų | 126 | 69% | 0.688 | 71% | 0.707 | S | S | * | * | trans | -71.1 | 162.6 | -173.7 | 29.8 | -35.8 | 0 | 0 | 0 | 112.4 | T658 | P656-T658 PolarHBondContact O-N 3.46Š| ||
| 657 | F | 24.4 | Very low | 41.6 | Very low | 220 Ų | 220 | 123.3 Ų | 123.3 | 97% | 0.965 | 68% | 0.678 | S | S | * | * | trans | -59.2 | 100.8 | 179.5 | -76.4 | -100.7 | 0 | 0 | 0 | 112.4 | ||||
| 658 | T | 27.1 | Very low | 44.4 | Very low | 131 Ų | 131 | 119.2 Ų | 119.2 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 142 | 159.4 | -42.4 | 0 | 0 | 0 | 0 | 109.2 | P656 A660 | P656-T658 PolarHBondContact O-N 3.46Å; T658-A660 PolarHBondContact O-N 3.21Å |
| 659 | T | 27.5 | Very low | 47 | Very low | 133 Ų | 133 | 110.1 Ų | 110.1 | 82% | 0.816 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -48.5 | 129.6 | -177.4 | -43.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 660 | A | 28.3 | Very low | 50 | Low | 85 Ų | 85 | 105.1 Ų | 105.1 | 70% | 0.702 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -57 | 128 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | T658 Q662 | T658-A660 PolarHBondContact O-N 3.21Å; A660-Q662 PolarHBondContact O-N 2.98Å |
| 661 | P | 39.8 | Very low | 52.9 | Low | 108 Ų | 108 | 104.2 Ų | 104.2 | 70% | 0.701 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 129.5 | -179.8 | 26.8 | -33.6 | 0 | 0 | 0 | 109.8 | V663 | P661-V663 PolarHBondContact O-N 3.34Å; P661-V663 VanDerWaalsContact O-N 3.09Å |
| 662 | Q | 49 | Very low | 55.8 | Low | 194 Ų | 194 | 102 Ų | 102 | 91% | 0.907 | 58% | 0.575 | S | S | * | * | trans | -63.3 | 114.1 | 175.9 | -67.8 | -176 | -3.1 | 0 | 0 | 109.2 | A660 S664 | A660-Q662 PolarHBondContact O-N 2.98Å; Q662-S664 PolarHBondContact O-N 3.21Å; Q662-S664 VanDerWaalsContact O-N 3.12Å | ||
| 663 | V | 62 | Low | 58.8 | Low | 70 Ų | 70 | 95.1 Ų | 95.1 | 42% | 0.424 | 53% | 0.532 | S | S | . | . | trans | -67.1 | 113.3 | -176.2 | 178.2 | 0 | 0 | 0 | 0 | 109.5 | L515 P661 E665 | L515-V663 HydrophobicContact CD1-CG1 4.43Å; L515-V663 HydrophobicContact CD2-CB 4.4Å; L515-V663 HydrophobicContact CD2-CG1 4.45Å; L515-V663 WeakPolarHBondContact CD2-O 3.47Å; P661-V663 PolarHBondContact O-N 3.34Å; P661-V663 VanDerWaalsContact O-N 3.09Å; V663-E665 PolarHBondContact O-N 2.91Å | ||
| 664 | S | 75.7 | Confident | 61.7 | Low | 78 Ų | 78 | 86.7 Ų | 86.7 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | trans | -62 | 131.1 | 178.7 | 174.3 | 0 | 0 | 0 | 0 | 111.4 | Q662 L666 | Q662-S664 PolarHBondContact O-N 3.21Å; Q662-S664 VanDerWaalsContact O-N 3.12Å; S664-L666 WeakPolarHBondContact CB-O 3.49Å; S664-L666 PolarHBondContact O-N 3.43Å; S664-L666 PolarHBondContact OG-N 2.94Å; S664-L666 VanDerWaalsContact OG-N 3.17Å; S664-L666 PolarHBondContact OG-O 3.15Å | ||
| 665 | E | 78 | Confident | 64.9 | Low | 38 Ų | 38 | 77.3 Ų | 77.3 | 18% | 0.178 | 45% | 0.453 | C | S | . | . | S | Bend | trans | -62.7 | -25.5 | 172.2 | -65 | -163.4 | -170.3 | 0 | 0 | 112.8 | K508 Y509 L515 S516 S517 V663 | K508-E665 WeakPolarHBondContact CE-O 3.43Å; K508-E665 PolarHBondContact NZ-O 3.32Å; Y509-E665 PolarHBondContact OH-O 2.91Å; L515-E665 HydrophobicContact CB-CG 4.33Å; L515-E665 HydrophobicContact CD2-CG 4.16Å; S516-E665 VanDerWaalsContact CB-OE1 3.25Å; S516-E665 WeakPolarHBondContact CB-OE1 3.36Å; S516-E665 PolarHBondContact N-OE1 2.83Å; S516-E665 PolarHBondContact OG-OE1 3.33Å; S516-E665 PolarHBondContact OG-OE2 3.17Å; S517-E665 WeakPolarHBondContact CB-OE2 3.37Å; S517-E665 PolarHBondContact N-OE2 2.99Å; S517-E665 VanDerWaalsContact OG-CD 3.27Å; S517-E665 PolarHBondContact OG-OE2 3.42Å; V663-E665 PolarHBondContact O-N 2.91Å |
| 666 | L | 86.5 | Confident | 68.1 | Low | 22 Ų | 22 | 69.6 Ų | 69.6 | 12% | 0.115 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -101.6 | 137.1 | 177.4 | -63.4 | 172.9 | 0 | 0 | 0 | 110.4 | S664 V670 T671 L673 E676 | S664-L666 WeakPolarHBondContact CB-O 3.49Å; S664-L666 PolarHBondContact O-N 3.43Å; S664-L666 PolarHBondContact OG-N 2.94Å; S664-L666 VanDerWaalsContact OG-N 3.17Å; S664-L666 PolarHBondContact OG-O 3.15Å; L666-V670 HydrophobicContact CD2-CG1 4.3Å; L666-T671 WeakPolarHBondContact CD1-O 3.37Å; L666-L673 HydrophobicContact CD2-CB 4.05Å; L666-L673 HydrophobicContact CD2-CD1 3.82Å; L666-E676 HydrophobicContact CD2-CB 3.94Å; L666-E676 HydrophobicContact CD2-CG 4.23Å |
| 667 | S | 86.5 | Confident | 71.4 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 6% | 0.056 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 153.7 | 171.5 | -52.1 | 0 | 0 | 0 | 0 | 110.4 | K508 G669 V670 E676 | K508-S667 PolarHBondContact NZ-OG 2.88Å; K508-S667 VanDerWaalsContact NZ-OG 3.17Å; S667-G669 PolarHBondContact O-N 3.35Å; S667-V670 WeakPolarHBondContact O-CB 3.41Å; S667-V670 PolarHBondContact O-N 3.31Å; S667-V670 VanDerWaalsContact O-N 3.1Å; S667-E676 VanDerWaalsContact CB-OE2 3.24Å; S667-E676 WeakPolarHBondContact CB-OE2 3.37Å; S667-E676 PolarHBondContact N-OE2 3.15Å; S667-E676 PolarHBondContact OG-OE1 2.9Å; S667-E676 PolarHBondContact OG-OE2 2.71Å |
| 668 | P | 84.8 | Confident | 74.9 | Confident | 63 Ų | 63 | 54 Ų | 54 | 41% | 0.409 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | 126.4 | 176.8 | -27.2 | 35.7 | 0 | 0 | 0 | 111.5 | I758 | P668-I758 HydrophobicContact CB-CD1 4.07Å; P668-I758 HydrophobicContact CB-CG1 4.48Å; P668-I758 HydrophobicContact CB-CG2 4.09Å |
| 669 | G | 84.2 | Confident | 78.2 | Confident | 32 Ų | 32 | 47.8 Ų | 47.8 | 33% | 0.33 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 10.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S667 | S667-G669 PolarHBondContact O-N 3.35Š|
| 670 | V | 90.5 | Very high | 81.5 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | trans | -113.8 | 132.9 | 175.2 | -171.7 | 0 | 0 | 0 | 0 | 109 | L666 S667 E676 E716 H719 V720 | L666-V670 HydrophobicContact CD2-CG1 4.3Å; S667-V670 WeakPolarHBondContact O-CB 3.41Å; S667-V670 PolarHBondContact O-N 3.31Å; S667-V670 VanDerWaalsContact O-N 3.1Å; V670-E676 HydrophobicContact CG1-CB 4.05Å; V670-E716 HydrophobicContact CG1-CB 4.31Å; V670-E716 WeakPolarHBondContact CG1-OE2 3.43Å; V670-H719 HydrophobicContact CG2-CB 4.01Å; V670-V720 HydrophobicContact CG1-CG2 4.19Å; V670-V720 HydrophobicContact CG2-CG2 3.66Å | ||
| 671 | T | 91.2 | Very high | 84.8 | Confident | 102 Ų | 102 | 37.6 Ų | 37.6 | 63% | 0.626 | 23% | 0.225 | S | C | * | . | trans | -110.7 | -32.2 | 175.9 | 77.6 | 0 | 0 | 0 | 0 | 111.5 | L666 E716 | L666-T671 WeakPolarHBondContact CD1-O 3.37Å; T671-E716 WeakPolarHBondContact CB-OE1 3.16Å; T671-E716 WeakPolarHBondContact CG2-OE1 3.44Å; T671-E716 PolarHBondContact N-OE1 3.09Å; T671-E716 PolarHBondContact N-OE2 2.95Å; T671-E716 PolarHBondContact OG1-OE1 3.44Å | ||
| 672 | N | 91.7 | Very high | 87.5 | Confident | 50 Ų | 50 | 32.5 Ų | 32.5 | 27% | 0.267 | 19% | 0.191 | S | C | . | . | trans | -92.4 | 108.4 | -174.5 | -172.7 | -10.9 | 0 | 0 | 0 | 112 | A674 I675 E676 E716 | N672-A674 PolarHBondContact O-N 3.06Å; N672-A674 WeakPolarHBondContact OD1-CB 3.5Å; N672-A674 PolarHBondContact OD1-N 3.35Å; N672-I675 HydrophobicContact CB-CB 4.31Å; N672-I675 HydrophobicContact CB-CD1 3.85Å; N672-I675 HydrophobicContact CB-CG1 3.95Å; N672-I675 PolarHBondContact O-N 3.49Å; N672-E676 PolarHBondContact O-N 3.42Å; N672-E676 VanDerWaalsContact O-N 3.14Å; N672-E716 WeakPolarHBondContact CB-OE2 3.37Å; N672-E716 PolarHBondContact N-OE2 3.42Å | ||
| 673 | L | 93 | Very high | 89.8 | Confident | 6 Ų | 6 | 23.3 Ų | 23.3 | 3% | 0.031 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -60.9 | -25.3 | 179.2 | -172.8 | 60.6 | 0 | 0 | 0 | 113.5 | L666 E676 L677 | L666-L673 HydrophobicContact CD2-CB 4.05Å; L666-L673 HydrophobicContact CD2-CD1 3.82Å; L673-E676 HydrophobicContact CD1-CG 4.45Å; L673-L677 HydrophobicContact CD1-CD1 4Å; L673-L677 HydrophobicContact CD1-CD2 4.47Å; L673-L677 HydrophobicContact CD1-CG 3.92Å; L673-L677 HydrophobicContact CD2-CD1 4.39Å; L673-L677 HydrophobicContact CG-CD1 3.76Å; L673-L677 HydrophobicContact CG-CG 4.15Å; L673-L677 WeakPolarHBondContact O-CB 3.49Å; L673-L677 VanDerWaalsContact O-CG 3.22Å; L673-L677 WeakPolarHBondContact O-CG 3.26Å; L673-L677 PolarHBondContact O-N 2.73Å |
| 674 | A | 94.2 | Very high | 91.4 | Very high | 4 Ų | 4 | 20.4 Ų | 20.4 | 3% | 0.033 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.9 | -36.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A541 N672 F678 L707 | A541-A674 HydrophobicContact CB-CB 4.25Å; N672-A674 PolarHBondContact O-N 3.06Å; N672-A674 WeakPolarHBondContact OD1-CB 3.5Å; N672-A674 PolarHBondContact OD1-N 3.35Å; A674-F678 WeakPolarHBondContact O-CB 3.5Å; A674-F678 PolarHBondContact O-N 2.98Å; A674-F678 VanDerWaalsContact O-N 3.12Å; A674-L707 HydrophobicContact CB-CD2 3.99Å |
| 675 | I | 95.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -67.6 | -52.2 | 175.2 | -62.1 | 177.8 | 0 | 0 | 0 | 109.1 | N672 L677 F678 Y679 L707 T713 E716 A717 V720 | N672-I675 HydrophobicContact CB-CB 4.31Å; N672-I675 HydrophobicContact CB-CD1 3.85Å; N672-I675 HydrophobicContact CB-CG1 3.95Å; N672-I675 PolarHBondContact O-N 3.49Å; I675-L677 PolarHBondContact O-N 2.96Å; I675-F678 PolarHBondContact O-N 3.48Å; I675-Y679 HydrophobicContact CG2-CD2 3.84Å; I675-Y679 HydrophobicContact CG2-CE2 4.18Å; I675-Y679 WeakPolarHBondContact O-CB 3.34Å; I675-Y679 WeakPolarHBondContact O-CD2 3.31Å; I675-Y679 PolarHBondContact O-N 2.96Å; I675-L707 WeakPolarHBondContact CD1-O 3.43Å; I675-L707 HydrophobicContact CG1-CB 4.31Å; I675-T713 HydrophobicContact CD1-CG2 3.84Å; I675-E716 HydrophobicContact CD1-CB 4.29Å; I675-E716 HydrophobicContact CG2-CB 4.42Å; I675-A717 HydrophobicContact CG2-CB 4Å; I675-V720 HydrophobicContact CG2-CG2 4.38Å |
| 676 | E | 95 | Very high | 93.2 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -47.9 | -60.2 | 175.4 | 172.9 | 62.5 | -122.2 | 0 | 0 | 111.9 | K508 Y509 L666 S667 V670 N672 L673 F678 S680 | K508-E676 VanDerWaalsContact CE-OE1 3.31Å; K508-E676 WeakPolarHBondContact CE-OE1 3.45Å; K508-E676 IonicContact NZ-OE1 3.16Å; K508-E676 PolarHBondContact NZ-OE1 3.49Å; K508-E676 IonicContact NZ-OE2 2.98Å; K508-E676 PolarHBondContact NZ-OE2 3.29Å; Y509-E676 VanDerWaalsContact OH-CG 3.3Å; Y509-E676 WeakPolarHBondContact OH-CG 3.41Å; L666-E676 HydrophobicContact CD2-CB 3.94Å; L666-E676 HydrophobicContact CD2-CG 4.23Å; S667-E676 VanDerWaalsContact CB-OE2 3.24Å; S667-E676 WeakPolarHBondContact CB-OE2 3.37Å; S667-E676 PolarHBondContact N-OE2 3.15Å; S667-E676 PolarHBondContact OG-OE1 2.9Å; S667-E676 PolarHBondContact OG-OE2 2.71Å; V670-E676 HydrophobicContact CG1-CB 4.05Å; N672-E676 PolarHBondContact O-N 3.42Å; N672-E676 VanDerWaalsContact O-N 3.14Å; L673-E676 HydrophobicContact CD1-CG 4.45Å; E676-F678 PolarHBondContact O-N 3.34Å; E676-S680 WeakPolarHBondContact O-CB 3.45Å; E676-S680 PolarHBondContact O-N 2.98Å; E676-S680 PolarHBondContact O-OG 3.49Å; E676-S680 PolarHBondContact OE1-OG 3.42Å |
| 677 | L | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -66.1 | -40.1 | -173.5 | -68.9 | 171.6 | 0 | 0 | 0 | 112.4 | Y509 A520 F521 L524 A544 L673 I675 A681 | Y509-L677 HydrophobicContact CE1-CD2 4.11Å; Y509-L677 HydrophobicContact CE2-CD2 4.23Å; Y509-L677 WeakPolarHBondContact OH-CD2 3.43Å; A520-L677 HydrophobicContact CB-CD1 4.04Å; F521-L677 HydrophobicContact CB-CD2 3.75Å; L524-L677 HydrophobicContact CD1-CB 3.67Å; A544-L677 HydrophobicContact CB-CD1 3.66Å; L673-L677 HydrophobicContact CD1-CD1 4Å; L673-L677 HydrophobicContact CD1-CD2 4.47Å; L673-L677 HydrophobicContact CD1-CG 3.92Å; L673-L677 HydrophobicContact CD2-CD1 4.39Å; L673-L677 HydrophobicContact CG-CD1 3.76Å; L673-L677 HydrophobicContact CG-CG 4.15Å; L673-L677 WeakPolarHBondContact O-CB 3.49Å; L673-L677 VanDerWaalsContact O-CG 3.22Å; L673-L677 WeakPolarHBondContact O-CG 3.26Å; L673-L677 PolarHBondContact O-N 2.73Å; I675-L677 PolarHBondContact O-N 2.96Å; L677-A681 WeakPolarHBondContact O-CB 3.48Å; L677-A681 PolarHBondContact O-N 2.7Å |
| 678 | F | 97 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.2 | -46.8 | 179.6 | 171.1 | -102.4 | 0 | 0 | 0 | 112.2 | I528 V537 A541 A674 I675 E676 A681 M682 Y700 V703 I704 L707 | I528-F678 HydrophobicContact CD1-CD2 4.4Å; I528-F678 HydrophobicContact CD1-CE2 4.31Å; V537-F678 HydrophobicContact CG1-CD2 3.87Å; V537-F678 HydrophobicContact CG1-CE2 3.89Å; A541-F678 HydrophobicContact CB-CB 4.26Å; A674-F678 WeakPolarHBondContact O-CB 3.5Å; A674-F678 PolarHBondContact O-N 2.98Å; A674-F678 VanDerWaalsContact O-N 3.12Å; I675-F678 PolarHBondContact O-N 3.48Å; E676-F678 PolarHBondContact O-N 3.34Å; F678-A681 PolarHBondContact O-N 3.01Å; F678-M682 HydrophobicContact CE1-CE 4.21Å; F678-M682 HydrophobicContact CE1-SD 4.15Å; F678-M682 HydrophobicContact CZ-CB 4.49Å; F678-M682 HydrophobicContact CZ-CE 4.5Å; F678-M682 HydrophobicContact CZ-SD 3.84Å; F678-M682 VanDerWaalsContact O-CB 3.24Å; F678-M682 WeakPolarHBondContact O-CB 3.22Å; F678-M682 PolarHBondContact O-N 2.76Å; F678-Y700 HydrophobicContact CE2-CG 4.39Å; F678-Y700 HydrophobicContact CZ-CG 4.48Å; F678-V703 HydrophobicContact CD1-CG1 4.32Å; F678-V703 HydrophobicContact CD2-CG1 3.88Å; F678-V703 HydrophobicContact CE1-CB 4.46Å; F678-V703 HydrophobicContact CE1-CG1 4.13Å; F678-V703 HydrophobicContact CE2-CB 4.09Å; F678-V703 HydrophobicContact CE2-CG1 3.66Å; F678-V703 HydrophobicContact CG-CG1 4.21Å; F678-V703 HydrophobicContact CZ-CB 3.93Å; F678-V703 HydrophobicContact CZ-CG1 3.81Å; F678-I704 HydrophobicContact CE1-CG1 3.71Å; F678-I704 HydrophobicContact CZ-CG1 4.16Å; F678-L707 HydrophobicContact CB-CD1 3.71Å; F678-L707 HydrophobicContact CD1-CD1 3.66Å; F678-L707 HydrophobicContact CG-CD1 3.71Å |
| 679 | Y | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.7 | -46.9 | 180 | -87.8 | -101.4 | 0 | 0 | 0 | 111.4 | I675 A681 M682 L683 I704 T708 A717 V720 I721 M739 | I675-Y679 HydrophobicContact CG2-CD2 3.84Å; I675-Y679 HydrophobicContact CG2-CE2 4.18Å; I675-Y679 WeakPolarHBondContact O-CB 3.34Å; I675-Y679 WeakPolarHBondContact O-CD2 3.31Å; I675-Y679 PolarHBondContact O-N 2.96Å; Y679-A681 VanDerWaalsContact C-N 3.32Å; Y679-A681 PolarHBondContact O-N 3.32Å; Y679-M682 HydrophobicContact CD1-CE 4.07Å; Y679-M682 HydrophobicContact CE1-CE 4.15Å; Y679-M682 PolarHBondContact O-N 3.29Å; Y679-L683 WeakPolarHBondContact O-CB 3.41Å; Y679-L683 VanDerWaalsContact O-CG 3.23Å; Y679-L683 WeakPolarHBondContact O-CG 3.27Å; Y679-L683 PolarHBondContact O-N 2.99Å; Y679-I704 WeakPolarHBondContact OH-CG2 3.38Å; Y679-T708 HydrophobicContact CE2-CG2 3.79Å; Y679-T708 WeakPolarHBondContact OH-CG2 3.23Å; Y679-A717 HydrophobicContact CD1-CB 4.17Å; Y679-A717 HydrophobicContact CD2-CB 4.2Å; Y679-A717 HydrophobicContact CE1-CB 3.71Å; Y679-A717 HydrophobicContact CE2-CB 3.77Å; Y679-A717 HydrophobicContact CG-CB 4.39Å; Y679-A717 VanDerWaalsContact CZ-CB 3.49Å; Y679-V720 VanDerWaalsContact CB-CG1 3.5Å; Y679-I721 HydrophobicContact CD1-CD1 4.28Å; Y679-I721 HydrophobicContact CD1-CG1 4.06Å; Y679-I721 HydrophobicContact CE1-CD1 4.13Å; Y679-I721 HydrophobicContact CE1-CG1 4.42Å; Y679-M739 HydrophobicContact CE1-CE 3.78Å; Y679-M739 HydrophobicContact CE1-SD 4.32Å; Y679-M739 VanDerWaalsContact OH-CE 3.3Å; Y679-M739 WeakPolarHBondContact OH-CE 3.43Å |
| 680 | S | 96.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 27 Ų | 27 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.7 | -46.8 | 175 | -72.7 | 0 | 0 | 0 | 0 | 110.9 | E676 I684 V720 | E676-S680 WeakPolarHBondContact O-CB 3.45Å; E676-S680 PolarHBondContact O-N 2.98Å; E676-S680 PolarHBondContact O-OG 3.49Å; E676-S680 PolarHBondContact OE1-OG 3.42Å; S680-I684 VanDerWaalsContact O-CB 3.26Å; S680-I684 WeakPolarHBondContact O-CB 3.33Å; S680-I684 WeakPolarHBondContact O-CG1 3.32Å; S680-I684 PolarHBondContact O-N 3.41Å; S680-V720 VanDerWaalsContact OG-CG1 3.29Å; S680-V720 WeakPolarHBondContact OG-CG1 3.42Å |
| 681 | A | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.8 | -40.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | F521 L524 V525 I528 L677 F678 Y679 A685 | F521-A681 HydrophobicContact CD2-CB 4.16Å; F521-A681 HydrophobicContact CE2-CB 4.22Å; L524-A681 HydrophobicContact CB-CB 3.58Å; V525-A681 HydrophobicContact CG2-CB 3.66Å; I528-A681 HydrophobicContact CD1-CB 4.01Å; L677-A681 WeakPolarHBondContact O-CB 3.48Å; L677-A681 PolarHBondContact O-N 2.7Å; F678-A681 PolarHBondContact O-N 3.01Å; Y679-A681 VanDerWaalsContact C-N 3.32Å; Y679-A681 PolarHBondContact O-N 3.32Å; A681-A685 VanDerWaalsContact O-CB 3.25Å; A681-A685 WeakPolarHBondContact O-CB 3.48Å; A681-A685 PolarHBondContact O-N 3.04Å |
| 682 | M | 97.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -64.3 | -44.6 | 178.7 | -179 | 179.2 | 61.2 | 0 | 0 | 111.9 | I528 F678 Y679 G686 F696 I697 I704 | I528-M682 HydrophobicContact CD1-CB 4.11Å; F678-M682 HydrophobicContact CE1-CE 4.21Å; F678-M682 HydrophobicContact CE1-SD 4.15Å; F678-M682 HydrophobicContact CZ-CB 4.49Å; F678-M682 HydrophobicContact CZ-CE 4.5Å; F678-M682 HydrophobicContact CZ-SD 3.84Å; F678-M682 VanDerWaalsContact O-CB 3.24Å; F678-M682 WeakPolarHBondContact O-CB 3.22Å; F678-M682 PolarHBondContact O-N 2.76Å; Y679-M682 HydrophobicContact CD1-CE 4.07Å; Y679-M682 HydrophobicContact CE1-CE 4.15Å; Y679-M682 PolarHBondContact O-N 3.29Å; M682-G686 PolarHBondContact O-N 2.68Å; M682-F696 HydrophobicContact CG-CB 3.98Å; M682-I697 HydrophobicContact CE-CG1 3.99Å; M682-I697 HydrophobicContact SD-CG1 4.04Å; M682-I704 HydrophobicContact CE-CD1 4.13Å; M682-I704 HydrophobicContact SD-CD1 4.14Å |
| 683 | L | 97.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.9 | -42.4 | -179.5 | -65.3 | 175.7 | 0 | 0 | 0 | 111.4 | Y679 A685 G686 H687 T693 I721 V724 I735 | Y679-L683 WeakPolarHBondContact O-CB 3.41Å; Y679-L683 VanDerWaalsContact O-CG 3.23Å; Y679-L683 WeakPolarHBondContact O-CG 3.27Å; Y679-L683 PolarHBondContact O-N 2.99Å; L683-A685 PolarHBondContact O-N 3.46Å; L683-G686 CarbonylContact O-C 3.56Å; L683-G686 PolarHBondContact O-N 3.37Å; L683-G686 VanDerWaalsContact O-N 3.12Å; L683-H687 PolarHBondContact O-N 3.16Å; L683-T693 HydrophobicContact CD2-CG2 3.83Å; L683-I721 HydrophobicContact CD1-CB 4.36Å; L683-I721 HydrophobicContact CD1-CG1 3.95Å; L683-V724 HydrophobicContact CB-CG1 3.77Å; L683-V724 HydrophobicContact CD1-CB 4.04Å; L683-V724 HydrophobicContact CD1-CG1 4.15Å; L683-V724 HydrophobicContact CD1-CG2 4.27Å; L683-I735 HydrophobicContact CD2-CD1 3.79Å |
| 684 | I | 96.5 | Very high | 95.8 | Very high | 8 Ų | 8 | 29.2 Ų | 29.2 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.4 | -36.3 | 175.3 | -68.8 | -70 | 0 | 0 | 0 | 112 | V505 N507 F521 V525 S680 G686 H687 V724 | V505-I684 HydrophobicContact CB-CD1 4.35Å; V505-I684 HydrophobicContact CG1-CD1 3.79Å; V505-I684 HydrophobicContact CG2-CD1 3.62Å; N507-I684 HydrophobicContact CB-CD1 3.71Å; F521-I684 HydrophobicContact CE2-CG1 4.4Å; F521-I684 HydrophobicContact CZ-CB 4.22Å; F521-I684 HydrophobicContact CZ-CG1 4.09Å; F521-I684 HydrophobicContact CZ-CG2 4.13Å; V525-I684 HydrophobicContact CG2-CG2 4.33Å; S680-I684 VanDerWaalsContact O-CB 3.26Å; S680-I684 WeakPolarHBondContact O-CB 3.33Å; S680-I684 WeakPolarHBondContact O-CG1 3.32Å; S680-I684 PolarHBondContact O-N 3.41Å; I684-G686 VanDerWaalsContact C-N 3.34Å; I684-H687 PolarHBondContact O-ND1 3.08Å; I684-V724 HydrophobicContact CD1-CG1 4.3Å; I684-V724 HydrophobicContact CG1-CG1 4.42Å |
| 685 | A | 96.1 | Very high | 95.9 | Very high | 13 Ų | 13 | 31.4 Ų | 31.4 | 11% | 0.107 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.1 | -33.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I528 R529 A681 L683 F696 | I528-A685 HydrophobicContact CB-CB 4.23Å; I528-A685 HydrophobicContact CG2-CB 3.55Å; R529-A685 HydrophobicContact CG-CB 4.11Å; A681-A685 VanDerWaalsContact O-CB 3.25Å; A681-A685 WeakPolarHBondContact O-CB 3.48Å; A681-A685 PolarHBondContact O-N 3.04Å; L683-A685 PolarHBondContact O-N 3.46Å; A685-F696 HydrophobicContact CB-CE2 4.22Å; A685-F696 HydrophobicContact CB-CZ 4.46Å; A685-F696 WeakPolarHBondContact O-CE2 3.32Å |
| 686 | G | 94.3 | Very high | 96 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -85.8 | -12.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | M682 L683 I684 K688 H692 T693 | M682-G686 PolarHBondContact O-N 2.68Å; L683-G686 CarbonylContact O-C 3.56Å; L683-G686 PolarHBondContact O-N 3.37Å; L683-G686 VanDerWaalsContact O-N 3.12Å; I684-G686 VanDerWaalsContact C-N 3.34Å; G686-K688 PolarHBondContact O-N 3.25Å; G686-H692 VanDerWaalsContact O-CB 3.24Å; G686-H692 WeakPolarHBondContact O-CB 3.35Å; G686-T693 PolarHBondContact O-N 3.44Å; G686-T693 PolarHBondContact O-OG1 2.82Å |
| 687 | H | 95 | Very high | 96.1 | Very high | 79 Ų | 79 | 32.1 Ų | 32.1 | 37% | 0.366 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -21.5 | -161.5 | 78.8 | -98.8 | 0 | 0 | 0 | 116.7 | V505 L683 I684 T689 W725 | V505-H687 HydrophobicContact CB-CB 4.21Å; V505-H687 HydrophobicContact CG1-CB 4.08Å; V505-H687 HydrophobicContact CG2-CB 4.28Å; L683-H687 PolarHBondContact O-N 3.16Å; I684-H687 PolarHBondContact O-ND1 3.08Å; H687-T689 PolarHBondContact O-N 2.92Å; H687-W725 HydrophobicContact CB-CH2 3.69Å; H687-W725 HydrophobicContact CB-CZ2 3.93Å |
| 688 | K | 93.6 | Very high | 96.1 | Very high | 161 Ų | 161 | 40.6 Ų | 40.6 | 70% | 0.7 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -40.8 | -171.9 | -70.6 | -170.8 | 175 | -173.7 | 0 | 114.1 | G686 | G686-K688 PolarHBondContact O-N 3.25Š|
| 689 | T | 94.5 | Very high | 96.1 | Very high | 65 Ų | 65 | 43.9 Ų | 43.9 | 40% | 0.399 | 22% | 0.224 | S | C | . | . | trans | -152.5 | 157.8 | 171.7 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | H687 S691 H692 T693 | H687-T689 PolarHBondContact O-N 2.92Å; T689-S691 PolarHBondContact O-N 2.86Å; T689-S691 VanDerWaalsContact O-N 3.12Å; T689-S691 PolarHBondContact OG1-N 3.41Å; T689-H692 WeakPolarHBondContact O-CB 3.37Å; T689-H692 PolarHBondContact O-N 3.49Å; T689-H692 PolarHBondContact OG1-N 2.83Å; T689-H692 PolarHBondContact OG1-ND1 3.24Å; T689-T693 PolarHBondContact O-N 3.26Å; T689-T693 PolarHBondContact O-OG1 3.1Å | ||
| 690 | I | 95.3 | Very high | 96.1 | Very high | 63 Ų | 63 | 43.9 Ų | 43.9 | 32% | 0.323 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -47.5 | -41.8 | 172.6 | -64.2 | 158.8 | 0 | 0 | 0 | 111.6 | H692 T693 F694 M731 I734 | I690-H692 VanDerWaalsContact C-N 3.34Å; I690-H692 PolarHBondContact O-N 3.42Å; I690-T693 PolarHBondContact O-N 3.35Å; I690-F694 HydrophobicContact CG2-CD1 4.19Å; I690-F694 HydrophobicContact CG2-CD2 3.93Å; I690-F694 HydrophobicContact CG2-CE1 3.79Å; I690-F694 HydrophobicContact CG2-CE2 3.51Å; I690-F694 HydrophobicContact CG2-CG 4.27Å; I690-F694 HydrophobicContact CG2-CZ 3.44Å; I690-F694 VanDerWaalsContact CG2-CZ 3.44Å; I690-F694 WeakPolarHBondContact O-CB 3.38Å; I690-F694 WeakPolarHBondContact O-CG 3.39Å; I690-F694 PolarHBondContact O-N 3.48Å; I690-M731 HydrophobicContact CD1-SD 4.47Å; I690-M731 HydrophobicContact CG1-CE 4.22Å; I690-M731 HydrophobicContact CG1-SD 3.61Å; I690-I734 HydrophobicContact CD1-CD1 3.82Å; I690-I734 HydrophobicContact CG1-CD1 4.48Å; I690-I734 HydrophobicContact CG1-CG2 4.4Å; I690-I734 HydrophobicContact CG2-CG2 3.74Å |
| 691 | S | 96 | Very high | 96.1 | Very high | 86 Ų | 86 | 44.9 Ų | 44.9 | 60% | 0.601 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.8 | -33.5 | 178.9 | -45.5 | 0 | 0 | 0 | 0 | 113.6 | T689 A695 | T689-S691 PolarHBondContact O-N 2.86Å; T689-S691 VanDerWaalsContact O-N 3.12Å; T689-S691 PolarHBondContact OG1-N 3.41Å; S691-A695 WeakPolarHBondContact O-CB 3.26Å; S691-A695 PolarHBondContact O-N 3.48Å |
| 692 | H | 96 | Very high | 96.1 | Very high | 81 Ų | 81 | 47.7 Ų | 47.7 | 38% | 0.375 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -69.9 | -46.3 | 173.9 | -73.6 | 88.7 | 0 | 0 | 0 | 110.7 | G686 T689 I690 F694 A695 F696 | G686-H692 VanDerWaalsContact O-CB 3.24Å; G686-H692 WeakPolarHBondContact O-CB 3.35Å; T689-H692 WeakPolarHBondContact O-CB 3.37Å; T689-H692 PolarHBondContact O-N 3.49Å; T689-H692 PolarHBondContact OG1-N 2.83Å; T689-H692 PolarHBondContact OG1-ND1 3.24Å; I690-H692 VanDerWaalsContact C-N 3.34Å; I690-H692 PolarHBondContact O-N 3.42Å; H692-F694 VanDerWaalsContact C-N 3.34Å; H692-F694 PolarHBondContact O-N 2.92Å; H692-A695 PolarHBondContact O-N 3.01Å; H692-F696 WeakPolarHBondContact O-CD2 3.39Å; H692-F696 PolarHBondContact O-N 2.88Å |
| 693 | T | 96.6 | Very high | 96.1 | Very high | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -56.2 | -47.7 | 174.3 | -46 | 0 | 0 | 0 | 0 | 111.4 | L683 G686 T689 I690 A695 F696 I697 I735 | L683-T693 HydrophobicContact CD2-CG2 3.83Å; G686-T693 PolarHBondContact O-N 3.44Å; G686-T693 PolarHBondContact O-OG1 2.82Å; T689-T693 PolarHBondContact O-N 3.26Å; T689-T693 PolarHBondContact O-OG1 3.1Å; I690-T693 PolarHBondContact O-N 3.35Å; T693-A695 PolarHBondContact O-N 3.1Å; T693-F696 PolarHBondContact O-N 3.49Å; T693-I697 HydrophobicContact CG2-CD1 3.99Å; T693-I697 WeakPolarHBondContact O-CG1 3.4Å; T693-I697 PolarHBondContact O-N 3.3Å; T693-I735 HydrophobicContact CG2-CD1 4.07Å; T693-I735 HydrophobicContact CG2-CG1 4.05Å |
| 694 | F | 97 | Very high | 96.1 | Very high | 47 Ų | 47 | 47.7 Ų | 47.7 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 176.7 | -70.4 | -3.5 | 0 | 0 | 0 | 113 | I690 H692 K698 I734 H738 | I690-F694 HydrophobicContact CG2-CD1 4.19Å; I690-F694 HydrophobicContact CG2-CD2 3.93Å; I690-F694 HydrophobicContact CG2-CE1 3.79Å; I690-F694 HydrophobicContact CG2-CE2 3.51Å; I690-F694 HydrophobicContact CG2-CG 4.27Å; I690-F694 HydrophobicContact CG2-CZ 3.44Å; I690-F694 VanDerWaalsContact CG2-CZ 3.44Å; I690-F694 WeakPolarHBondContact O-CB 3.38Å; I690-F694 WeakPolarHBondContact O-CG 3.39Å; I690-F694 PolarHBondContact O-N 3.48Å; H692-F694 VanDerWaalsContact C-N 3.34Å; H692-F694 PolarHBondContact O-N 2.92Å; F694-K698 WeakPolarHBondContact O-CB 3.3Å; F694-K698 PolarHBondContact O-N 2.82Å; F694-I734 HydrophobicContact CE1-CG2 3.81Å; F694-I734 HydrophobicContact CZ-CG2 3.55Å; F694-H738 HydrophobicContact CD1-CB 4.13Å; F694-H738 AromaticContact CD1-CE1 3.67Å; F694-H738 AromaticContact CD1-CG 3.67Å; F694-H738 AromaticContact CD1-ND1 3.21Å; F694-H738 WeakPolarHBondContact CD1-ND1 3.25Å; F694-H738 AromaticContact CD2-CE1 3.62Å; F694-H738 AromaticContact CD2-ND1 3.37Å; F694-H738 WeakPolarHBondContact CD2-ND1 3.43Å; F694-H738 HydrophobicContact CE1-CB 3.48Å; F694-H738 VanDerWaalsContact CE1-CB 3.48Å; F694-H738 AromaticContact CE1-CG 3.49Å; F694-H738 VanDerWaalsContact CE1-CG 3.49Å; F694-H738 AromaticContact CE1-ND1 3.16Å; F694-H738 WeakPolarHBondContact CE1-ND1 3.47Å; F694-H738 AromaticContact CE2-ND1 3.32Å; F694-H738 VanDerWaalsContact CE2-ND1 3.32Å; F694-H738 WeakPolarHBondContact CE2-ND1 3.44Å; F694-H738 AromaticContact CG-CE1 3.41Å; F694-H738 VanDerWaalsContact CG-CE1 3.41Å; F694-H738 WeakPolarHBondContact CG-CE1 3.36Å; F694-H738 AromaticContact CG-ND1 3.31Å; F694-H738 VanDerWaalsContact CG-ND1 3.31Å; F694-H738 WeakPolarHBondContact CG-ND1 3.46Å; F694-H738 HydrophobicContact CZ-CB 3.85Å; F694-H738 AromaticContact CZ-CG 3.86Å; F694-H738 AromaticContact CZ-ND1 3.21Å; F694-H738 WeakPolarHBondContact CZ-ND1 3.41Å |
| 695 | A | 96.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 53.9 Ų | 53.9 | 41% | 0.413 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S691 H692 T693 K699 | S691-A695 WeakPolarHBondContact O-CB 3.26Å; S691-A695 PolarHBondContact O-N 3.48Å; H692-A695 PolarHBondContact O-N 3.01Å; T693-A695 PolarHBondContact O-N 3.1Å; A695-K699 PolarHBondContact O-N 3.37Å |
| 696 | F | 97 | Very high | 96.1 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -72.1 | -43.7 | 175.5 | -69.4 | -58.2 | 0 | 0 | 0 | 112.6 | I528 R531 M682 A685 H692 T693 K698 K699 Y700 | I528-F696 HydrophobicContact CG2-CD1 3.63Å; I528-F696 HydrophobicContact CG2-CE1 3.74Å; I528-F696 HydrophobicContact CG2-CG 4.09Å; I528-F696 HydrophobicContact CG2-CZ 4.29Å; I528-F696 VanDerWaalsContact O-CE1 3.27Å; I528-F696 WeakPolarHBondContact O-CE1 3.06Å; R531-F696 HydrophobicContact CG-CE1 4.34Å; M682-F696 HydrophobicContact CG-CB 3.98Å; A685-F696 HydrophobicContact CB-CE2 4.22Å; A685-F696 HydrophobicContact CB-CZ 4.46Å; A685-F696 WeakPolarHBondContact O-CE2 3.32Å; H692-F696 WeakPolarHBondContact O-CD2 3.39Å; H692-F696 PolarHBondContact O-N 2.88Å; T693-F696 PolarHBondContact O-N 3.49Å; F696-K698 VanDerWaalsContact C-N 3.25Å; F696-K698 PolarHBondContact O-N 3.06Å; F696-K699 PolarHBondContact O-N 2.83Å; F696-Y700 HydrophobicContact CD1-CD2 4.45Å; F696-Y700 HydrophobicContact CD1-CE2 4.05Å; F696-Y700 WeakPolarHBondContact O-CD2 3.43Å; F696-Y700 PolarHBondContact O-N 3.03Å |
| 697 | I | 97 | Very high | 96.1 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -55.2 | -42.8 | 172.6 | -70 | 167.9 | 0 | 0 | 0 | 110.4 | M682 T693 A701 I704 I735 M739 L744 | M682-I697 HydrophobicContact CE-CG1 3.99Å; M682-I697 HydrophobicContact SD-CG1 4.04Å; T693-I697 HydrophobicContact CG2-CD1 3.99Å; T693-I697 WeakPolarHBondContact O-CG1 3.4Å; T693-I697 PolarHBondContact O-N 3.3Å; I697-A701 WeakPolarHBondContact O-CA 3.22Å; I697-A701 PolarHBondContact O-N 3.12Å; I697-I704 HydrophobicContact CG2-CD1 4.17Å; I697-I735 HydrophobicContact CD1-CG2 4.17Å; I697-M739 HydrophobicContact CD1-CG 4.25Å; I697-M739 HydrophobicContact CD1-SD 4.42Å; I697-M739 HydrophobicContact CG2-CG 4.26Å; I697-L744 HydrophobicContact CG2-CD1 3.8Å |
| 698 | K | 96.1 | Very high | 96.1 | Very high | 177 Ų | 177 | 53.7 Ų | 53.7 | 77% | 0.77 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -67 | -44.9 | 176.7 | -174.6 | 169.8 | -178.9 | 170.7 | 0 | 113 | F694 F696 | F694-K698 WeakPolarHBondContact O-CB 3.3Å; F694-K698 PolarHBondContact O-N 2.82Å; F696-K698 VanDerWaalsContact C-N 3.25Å; F696-K698 PolarHBondContact O-N 3.06Å |
| 699 | K | 96.6 | Very high | 96.2 | Very high | 69 Ų | 69 | 50.1 Ų | 50.1 | 30% | 0.3 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 179.1 | 178.9 | 174.2 | 163.1 | 82.5 | 0 | 112.1 | R531 L532 E533 A695 F696 | R531-K699 VanDerWaalsContact C-CE 3.49Å; R531-K699 HydrophobicContact CB-CD 4.3Å; R531-K699 WeakPolarHBondContact O-CE 3.14Å; R531-K699 PolarHBondContact O-NZ 3.15Å; L532-K699 WeakPolarHBondContact O-CE 3.35Å; L532-K699 PolarHBondContact O-NZ 3.37Å; E533-K699 IonicContact OE1-NZ 3.39Å; E533-K699 PolarHBondContact OE1-NZ 3.15Å; A695-K699 PolarHBondContact O-N 3.37Å; F696-K699 PolarHBondContact O-N 2.83Å |
| 700 | Y | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 16.8 | -175.4 | -61.5 | -67.7 | 0 | 0 | 0 | 113.9 | I528 R531 L532 P534 V537 F678 F696 A702 V703 I704 | I528-Y700 HydrophobicContact CB-CE2 4.36Å; I528-Y700 HydrophobicContact CG1-CE2 4.11Å; I528-Y700 HydrophobicContact CG2-CE2 3.96Å; R531-Y700 WeakPolarHBondContact CA-OH 3.47Å; L532-Y700 PolarHBondContact N-OH 2.9Å; L532-Y700 WeakPolarHBondContact O-CE1 3.18Å; L532-Y700 PolarHBondContact O-OH 3.11Å; P534-Y700 HydrophobicContact CB-CD1 4.3Å; P534-Y700 HydrophobicContact CG-CD1 4.24Å; P534-Y700 HydrophobicContact CG-CE1 4.42Å; V537-Y700 HydrophobicContact CB-CD1 4.42Å; V537-Y700 HydrophobicContact CB-CE1 4.07Å; V537-Y700 HydrophobicContact CG1-CE1 4.5Å; V537-Y700 HydrophobicContact CG2-CD1 4.39Å; V537-Y700 HydrophobicContact CG2-CE1 3.58Å; F678-Y700 HydrophobicContact CE2-CG 4.39Å; F678-Y700 HydrophobicContact CZ-CG 4.48Å; F696-Y700 HydrophobicContact CD1-CD2 4.45Å; F696-Y700 HydrophobicContact CD1-CE2 4.05Å; F696-Y700 WeakPolarHBondContact O-CD2 3.43Å; F696-Y700 PolarHBondContact O-N 3.03Å; Y700-A702 PolarHBondContact O-N 2.94Å; Y700-A702 VanDerWaalsContact O-N 3.1Å; Y700-V703 HydrophobicContact CD1-CG2 3.94Å; Y700-V703 WeakPolarHBondContact O-CA 3.24Å; Y700-V703 WeakPolarHBondContact O-CB 3.48Å; Y700-V703 PolarHBondContact O-N 3.19Å; Y700-I704 PolarHBondContact O-N 2.89Å |
| 701 | A | 96.6 | Very high | 96.2 | Very high | 26 Ų | 26 | 48.2 Ų | 48.2 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -52.8 | -32.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | I697 R705 L744 | I697-A701 WeakPolarHBondContact O-CA 3.22Å; I697-A701 PolarHBondContact O-N 3.12Å; A701-R705 WeakPolarHBondContact O-CG 3.39Å; A701-R705 PolarHBondContact O-N 3.1Å; A701-L744 HydrophobicContact CB-CD1 4.25Å; A701-L744 HydrophobicContact CB-CD2 4.26Å |
| 702 | A | 95.9 | Very high | 96.2 | Very high | 59 Ų | 59 | 49.2 Ų | 49.2 | 49% | 0.488 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -67.5 | -42.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y700 I704 R705 T706 | Y700-A702 PolarHBondContact O-N 2.94Å; Y700-A702 VanDerWaalsContact O-N 3.1Å; A702-I704 VanDerWaalsContact C-N 3.34Å; A702-R705 PolarHBondContact O-N 3.25Å; A702-T706 PolarHBondContact O-N 2.68Å; A702-T706 VanDerWaalsContact O-N 3.13Å; A702-T706 PolarHBondContact O-OG1 2.88Å |
| 703 | V | 96.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.012 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 176.2 | -173 | 0 | 0 | 0 | 0 | 110.3 | P534 L538 F678 Y700 T706 L707 | P534-V703 HydrophobicContact CB-CG2 3.75Å; P534-V703 WeakPolarHBondContact O-CG2 3.49Å; L538-V703 HydrophobicContact CB-CG1 4.05Å; L538-V703 HydrophobicContact CB-CG2 4.35Å; L538-V703 HydrophobicContact CD1-CG1 4Å; F678-V703 HydrophobicContact CD1-CG1 4.32Å; F678-V703 HydrophobicContact CD2-CG1 3.88Å; F678-V703 HydrophobicContact CE1-CB 4.46Å; F678-V703 HydrophobicContact CE1-CG1 4.13Å; F678-V703 HydrophobicContact CE2-CB 4.09Å; F678-V703 HydrophobicContact CE2-CG1 3.66Å; F678-V703 HydrophobicContact CG-CG1 4.21Å; F678-V703 HydrophobicContact CZ-CB 3.93Å; F678-V703 HydrophobicContact CZ-CG1 3.81Å; Y700-V703 HydrophobicContact CD1-CG2 3.94Å; Y700-V703 WeakPolarHBondContact O-CA 3.24Å; Y700-V703 WeakPolarHBondContact O-CB 3.48Å; Y700-V703 PolarHBondContact O-N 3.19Å; V703-T706 PolarHBondContact O-N 3.09Å; V703-L707 HydrophobicContact CG1-CD1 3.82Å; V703-L707 HydrophobicContact CG1-CG 4.29Å; V703-L707 WeakPolarHBondContact O-CG 3.37Å; V703-L707 PolarHBondContact O-N 3.21Å |
| 704 | I | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -57.1 | -52.6 | 174.2 | -67.6 | 165.4 | 0 | 0 | 0 | 110.1 | F678 Y679 M682 I697 Y700 A702 T706 L707 T708 M739 L744 | F678-I704 HydrophobicContact CE1-CG1 3.71Å; F678-I704 HydrophobicContact CZ-CG1 4.16Å; Y679-I704 WeakPolarHBondContact OH-CG2 3.38Å; M682-I704 HydrophobicContact CE-CD1 4.13Å; M682-I704 HydrophobicContact SD-CD1 4.14Å; I697-I704 HydrophobicContact CG2-CD1 4.17Å; Y700-I704 PolarHBondContact O-N 2.89Å; A702-I704 VanDerWaalsContact C-N 3.34Å; I704-T706 PolarHBondContact O-N 2.88Å; I704-T706 VanDerWaalsContact O-N 3.16Å; I704-L707 PolarHBondContact O-N 3.38Å; I704-T708 PolarHBondContact O-N 2.99Å; I704-T708 PolarHBondContact O-OG1 2.95Å; I704-M739 HydrophobicContact CD1-CE 4.39Å; I704-M739 HydrophobicContact CG2-CE 4.05Å; I704-L744 HydrophobicContact CB-CD2 4.29Å; I704-L744 HydrophobicContact CD1-CD1 3.96Å; I704-L744 HydrophobicContact CG2-CB 3.95Å; I704-L744 HydrophobicContact CG2-CD1 4.18Å; I704-L744 HydrophobicContact CG2-CD2 3.87Å; I704-L744 HydrophobicContact CG2-CG 4.22Å |
| 705 | R | 96.5 | Very high | 96.3 | Very high | 137 Ų | 137 | 45.6 Ų | 45.6 | 52% | 0.517 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -59.2 | -28.3 | 178.9 | -73.2 | -177.2 | -170.6 | -62.3 | -8.1 | 114.2 | A701 A702 V742 G743 L744 | A701-R705 WeakPolarHBondContact O-CG 3.39Å; A701-R705 PolarHBondContact O-N 3.1Å; A702-R705 PolarHBondContact O-N 3.25Å; R705-V742 PolarHBondContact NH2-O 3.15Å; R705-G743 VanDerWaalsContact CZ-O 3.29Å; R705-G743 PolarHBondContact NH1-O 3.08Å; R705-G743 PolarHBondContact NH2-O 2.74Å; R705-L744 HydrophobicContact CG-CD2 3.66Å |
| 706 | T | 96.1 | Very high | 96.3 | Very high | 71 Ų | 71 | 44.2 Ų | 44.2 | 44% | 0.436 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -76.8 | -51.1 | 173.4 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | L538 A702 V703 I704 S709 | L538-T706 HydrophobicContact CD1-CG2 4.16Å; L538-T706 HydrophobicContact CD2-CG2 4.02Å; A702-T706 PolarHBondContact O-N 2.68Å; A702-T706 VanDerWaalsContact O-N 3.13Å; A702-T706 PolarHBondContact O-OG1 2.88Å; V703-T706 PolarHBondContact O-N 3.09Å; I704-T706 PolarHBondContact O-N 2.88Å; I704-T706 VanDerWaalsContact O-N 3.16Å; T706-S709 PolarHBondContact O-OG 3.48Å |
| 707 | L | 95.2 | Very high | 96.3 | Very high | 13 Ų | 13 | 43.6 Ų | 43.6 | 7% | 0.068 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.5 | -31.5 | -174.2 | -68.7 | 179.4 | 0 | 0 | 0 | 113.9 | L538 A674 I675 F678 V703 I704 | L538-L707 HydrophobicContact CD1-CD1 4.41Å; L538-L707 HydrophobicContact CD1-CD2 3.81Å; L538-L707 HydrophobicContact CD1-CG 3.9Å; A674-L707 HydrophobicContact CB-CD2 3.99Å; I675-L707 WeakPolarHBondContact CD1-O 3.43Å; I675-L707 HydrophobicContact CG1-CB 4.31Å; F678-L707 HydrophobicContact CB-CD1 3.71Å; F678-L707 HydrophobicContact CD1-CD1 3.66Å; F678-L707 HydrophobicContact CG-CD1 3.71Å; V703-L707 HydrophobicContact CG1-CD1 3.82Å; V703-L707 HydrophobicContact CG1-CG 4.29Å; V703-L707 WeakPolarHBondContact O-CG 3.37Å; V703-L707 PolarHBondContact O-N 3.21Å; I704-L707 PolarHBondContact O-N 3.38Å |
| 708 | T | 95.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 43.6 Ų | 43.6 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | 52 | 178.4 | 70.7 | 0 | 0 | 0 | 0 | 111.1 | Y679 I704 T710 T713 A717 | Y679-T708 HydrophobicContact CE2-CG2 3.79Å; Y679-T708 WeakPolarHBondContact OH-CG2 3.23Å; I704-T708 PolarHBondContact O-N 2.99Å; I704-T708 PolarHBondContact O-OG1 2.95Å; T708-T710 VanDerWaalsContact C-N 3.3Å; T708-T713 WeakPolarHBondContact CA-OG1 3.4Å; T708-T713 WeakPolarHBondContact CG2-O 3.26Å; T708-A717 HydrophobicContact CG2-CB 3.67Å |
| 709 | S | 94.5 | Very high | 96.3 | Very high | 87 Ų | 87 | 35.4 Ų | 35.4 | 61% | 0.608 | 20% | 0.197 | S | C | * | . | trans | -78.8 | -8.3 | -176.8 | 39.5 | 0 | 0 | 0 | 0 | 114.1 | T706 T713 | T706-S709 PolarHBondContact O-OG 3.48Å; S709-T713 PolarHBondContact N-OG1 2.98Å | ||
| 710 | T | 96 | Very high | 96.3 | Very high | 59 Ų | 59 | 32.1 Ų | 32.1 | 36% | 0.362 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -126.5 | 164.9 | 176 | 83.8 | 0 | 0 | 0 | 0 | 111.1 | T708 E712 T713 Q714 | T708-T710 VanDerWaalsContact C-N 3.3Å; T710-E712 VanDerWaalsContact C-N 3.28Å; T710-E712 WeakPolarHBondContact CB-OE2 3.5Å; T710-E712 PolarHBondContact O-N 2.75Å; T710-E712 PolarHBondContact OG1-N 2.74Å; T710-E712 PolarHBondContact OG1-OE2 3.12Å; T710-T713 PolarHBondContact N-OG1 2.82Å; T710-T713 PolarHBondContact O-N 2.9Å; T710-T713 PolarHBondContact O-OG1 3.32Å; T710-T713 PolarHBondContact OG1-N 3.03Å; T710-T713 PolarHBondContact OG1-OG1 3.36Å; T710-Q714 VanDerWaalsContact O-CG 3.27Å; T710-Q714 WeakPolarHBondContact O-CG 3.34Å; T710-Q714 PolarHBondContact O-N 3.27Å |
| 711 | V | 95 | Very high | 96.2 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 17% | 0.17 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.2 | -32 | -179.6 | -177.5 | 0 | 0 | 0 | 0 | 111.6 | Q714 V715 A749 R752 | V711-Q714 PolarHBondContact O-N 2.69Å; V711-V715 WeakPolarHBondContact O-CG2 3.32Å; V711-V715 PolarHBondContact O-N 3.27Å; V711-A749 HydrophobicContact CG1-CB 3.83Å; V711-R752 VanDerWaalsContact CG1-NH1 3.35Å |
| 712 | E | 95.5 | Very high | 96.2 | Very high | 108 Ų | 108 | 31.8 Ų | 31.8 | 51% | 0.505 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -67.6 | -46 | 177.4 | -54.4 | 65.8 | -138.3 | 0 | 0 | 110.5 | T710 Q714 V715 E716 | T710-E712 VanDerWaalsContact C-N 3.28Å; T710-E712 WeakPolarHBondContact CB-OE2 3.5Å; T710-E712 PolarHBondContact O-N 2.75Å; T710-E712 PolarHBondContact OG1-N 2.74Å; T710-E712 PolarHBondContact OG1-OE2 3.12Å; E712-Q714 VanDerWaalsContact C-N 3.29Å; E712-Q714 PolarHBondContact O-N 2.96Å; E712-V715 WeakPolarHBondContact O-CA 3.43Å; E712-V715 WeakPolarHBondContact O-CB 3.33Å; E712-V715 PolarHBondContact O-N 3.19Å; E712-E716 PolarHBondContact O-N 3.25Å |
| 713 | T | 96.4 | Very high | 96 | Very high | 24 Ų | 24 | 30.5 Ų | 30.5 | 15% | 0.147 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -68.9 | -27 | 177.2 | 48.9 | 0 | 0 | 0 | 0 | 112.6 | I675 T708 S709 T710 A717 | I675-T713 HydrophobicContact CD1-CG2 3.84Å; T708-T713 WeakPolarHBondContact CA-OG1 3.4Å; T708-T713 WeakPolarHBondContact CG2-O 3.26Å; S709-T713 PolarHBondContact N-OG1 2.98Å; T710-T713 PolarHBondContact N-OG1 2.82Å; T710-T713 PolarHBondContact O-N 2.9Å; T710-T713 PolarHBondContact O-OG1 3.32Å; T710-T713 PolarHBondContact OG1-N 3.03Å; T710-T713 PolarHBondContact OG1-OG1 3.36Å; T713-A717 PolarHBondContact O-N 3.26Å; T713-A717 VanDerWaalsContact O-N 3.17Å |
| 714 | Q | 97.5 | Very high | 95.9 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 5% | 0.051 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -69.3 | -35.3 | 166.9 | -67.1 | 170.1 | 29.4 | 0 | 0 | 112.8 | T710 V711 E712 A717 L718 D746 A749 | T710-Q714 VanDerWaalsContact O-CG 3.27Å; T710-Q714 WeakPolarHBondContact O-CG 3.34Å; T710-Q714 PolarHBondContact O-N 3.27Å; V711-Q714 PolarHBondContact O-N 2.69Å; E712-Q714 VanDerWaalsContact C-N 3.29Å; E712-Q714 PolarHBondContact O-N 2.96Å; Q714-A717 PolarHBondContact O-N 3.01Å; Q714-L718 WeakPolarHBondContact O-CG 3.31Å; Q714-L718 PolarHBondContact O-N 3.08Å; Q714-D746 PolarHBondContact NE2-OD2 3.21Å; Q714-D746 PolarHBondContact OE1-OD2 3.16Å; Q714-A749 HydrophobicContact CB-CB 3.73Å; Q714-A749 VanDerWaalsContact OE1-CB 3.29Å |
| 715 | V | 97.1 | Very high | 95.8 | Very high | 17 Ų | 17 | 31 Ų | 31 | 10% | 0.103 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.4 | -42.3 | 173.7 | 168.9 | 0 | 0 | 0 | 0 | 111.3 | V711 E712 A717 L718 H719 A749 R752 W753 | V711-V715 WeakPolarHBondContact O-CG2 3.32Å; V711-V715 PolarHBondContact O-N 3.27Å; E712-V715 WeakPolarHBondContact O-CA 3.43Å; E712-V715 WeakPolarHBondContact O-CB 3.33Å; E712-V715 PolarHBondContact O-N 3.19Å; V715-A717 VanDerWaalsContact C-N 3.31Å; V715-A717 PolarHBondContact O-N 3.44Å; V715-L718 WeakPolarHBondContact O-CB 3.41Å; V715-L718 PolarHBondContact O-N 2.73Å; V715-H719 PolarHBondContact O-CD2 3.01Å; V715-H719 PolarHBondContact O-N 3.23Å; V715-A749 HydrophobicContact CG2-CB 4.39Å; V715-A749 WeakPolarHBondContact CG2-O 3.38Å; V715-R752 HydrophobicContact CG2-CB 3.67Å; V715-W753 HydrophobicContact CG1-CB 4.15Å; V715-W753 HydrophobicContact CG2-CB 4.23Å |
| 716 | E | 96.2 | Very high | 95.6 | Very high | 22 Ų | 22 | 26.2 Ų | 26.2 | 10% | 0.103 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 172.5 | -66.3 | -160.6 | -167.1 | 0 | 0 | 111.3 | V670 T671 N672 I675 E712 L718 H719 V720 | V670-E716 HydrophobicContact CG1-CB 4.31Å; V670-E716 WeakPolarHBondContact CG1-OE2 3.43Å; T671-E716 WeakPolarHBondContact CB-OE1 3.16Å; T671-E716 WeakPolarHBondContact CG2-OE1 3.44Å; T671-E716 PolarHBondContact N-OE1 3.09Å; T671-E716 PolarHBondContact N-OE2 2.95Å; T671-E716 PolarHBondContact OG1-OE1 3.44Å; N672-E716 WeakPolarHBondContact CB-OE2 3.37Å; N672-E716 PolarHBondContact N-OE2 3.42Å; I675-E716 HydrophobicContact CD1-CB 4.29Å; I675-E716 HydrophobicContact CG2-CB 4.42Å; E712-E716 PolarHBondContact O-N 3.25Å; E716-L718 VanDerWaalsContact C-N 3.32Å; E716-L718 PolarHBondContact O-N 3.19Å; E716-H719 WeakPolarHBondContact O-CB 3.44Å; E716-H719 PolarHBondContact O-N 2.8Å; E716-H719 VanDerWaalsContact O-N 3.1Å; E716-V720 PolarHBondContact O-N 3.48Å |
| 717 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -35.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I675 Y679 T708 T713 Q714 V715 H719 V720 I721 | I675-A717 HydrophobicContact CG2-CB 4Å; Y679-A717 HydrophobicContact CD1-CB 4.17Å; Y679-A717 HydrophobicContact CD2-CB 4.2Å; Y679-A717 HydrophobicContact CE1-CB 3.71Å; Y679-A717 HydrophobicContact CE2-CB 3.77Å; Y679-A717 HydrophobicContact CG-CB 4.39Å; Y679-A717 VanDerWaalsContact CZ-CB 3.49Å; T708-A717 HydrophobicContact CG2-CB 3.67Å; T713-A717 PolarHBondContact O-N 3.26Å; T713-A717 VanDerWaalsContact O-N 3.17Å; Q714-A717 PolarHBondContact O-N 3.01Å; V715-A717 VanDerWaalsContact C-N 3.31Å; V715-A717 PolarHBondContact O-N 3.44Å; A717-H719 VanDerWaalsContact C-N 3.34Å; A717-V720 PolarHBondContact O-N 3.48Å; A717-I721 WeakPolarHBondContact O-CD1 3.49Å; A717-I721 VanDerWaalsContact O-CG1 3.29Å; A717-I721 WeakPolarHBondContact O-CG1 3.3Å; A717-I721 PolarHBondContact O-N 3.45Å |
| 718 | L | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -65.1 | -36.4 | 172.8 | -73.7 | 168 | 0 | 0 | 0 | 112 | Q714 V715 E716 I721 Q722 T736 I745 V750 W753 | Q714-L718 WeakPolarHBondContact O-CG 3.31Å; Q714-L718 PolarHBondContact O-N 3.08Å; V715-L718 WeakPolarHBondContact O-CB 3.41Å; V715-L718 PolarHBondContact O-N 2.73Å; E716-L718 VanDerWaalsContact C-N 3.32Å; E716-L718 PolarHBondContact O-N 3.19Å; L718-I721 HydrophobicContact CD2-CD1 4.3Å; L718-I721 PolarHBondContact O-N 2.88Å; L718-Q722 VanDerWaalsContact O-CB 3.31Å; L718-Q722 WeakPolarHBondContact O-CB 3.39Å; L718-Q722 PolarHBondContact O-N 3.32Å; L718-T736 HydrophobicContact CD2-CG2 3.91Å; L718-T736 WeakPolarHBondContact CD2-OG1 3.36Å; L718-I745 HydrophobicContact CD1-CG2 4.17Å; L718-I745 HydrophobicContact CD2-CD1 3.76Å; L718-I745 HydrophobicContact CG-CD1 4.03Å; L718-V750 HydrophobicContact CD1-CG2 4.4Å; L718-W753 HydrophobicContact CB-CB 4.04Å; L718-W753 HydrophobicContact CB-CD2 4.06Å; L718-W753 HydrophobicContact CB-CG 3.59Å; L718-W753 HydrophobicContact CD1-CB 3.57Å; L718-W753 HydrophobicContact CD1-CD2 4.3Å; L718-W753 HydrophobicContact CD1-CG 3.89Å; L718-W753 HydrophobicContact CG-CB 4.45Å; L718-W753 HydrophobicContact CG-CG 4.33Å |
| 719 | H | 96.3 | Very high | 95.2 | Very high | 6 Ų | 6 | 27.2 Ų | 27.2 | 3% | 0.028 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67.3 | -35.6 | 171.8 | -76 | -54.6 | 0 | 0 | 0 | 113.1 | V670 V715 E716 A717 Q722 A723 W753 S756 | V670-H719 HydrophobicContact CG2-CB 4.01Å; V715-H719 PolarHBondContact O-CD2 3.01Å; V715-H719 PolarHBondContact O-N 3.23Å; E716-H719 WeakPolarHBondContact O-CB 3.44Å; E716-H719 PolarHBondContact O-N 2.8Å; E716-H719 VanDerWaalsContact O-N 3.1Å; A717-H719 VanDerWaalsContact C-N 3.34Å; H719-Q722 PolarHBondContact ND1-OE1 3.47Å; H719-Q722 PolarHBondContact O-N 3.41Å; H719-A723 WeakPolarHBondContact O-CB 3.21Å; H719-A723 PolarHBondContact O-N 3.12Å; H719-W753 AromaticContact CD2-CD1 3.96Å; H719-W753 AromaticContact CE1-CD1 3.42Å; H719-W753 VanDerWaalsContact CE1-CD1 3.42Å; H719-W753 AromaticContact CE1-NE1 3.63Å; H719-W753 AromaticContact CG-CD1 3.92Å; H719-W753 AromaticContact ND1-CD1 3.58Å; H719-W753 AromaticContact ND1-NE1 3.5Å; H719-W753 PolarHBondContact ND1-NE1 3.06Å; H719-W753 AromaticContact NE2-CD1 3.66Å; H719-S756 PolarHBondContact CE1-OG 3.2Å; H719-S756 PolarHBondContact NE2-OG 3.11Å |
| 720 | V | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.4 | -44.1 | 171.7 | -172.2 | 0 | 0 | 0 | 0 | 111.4 | V670 I675 Y679 S680 E716 A717 Q722 A723 V724 | V670-V720 HydrophobicContact CG1-CG2 4.19Å; V670-V720 HydrophobicContact CG2-CG2 3.66Å; I675-V720 HydrophobicContact CG2-CG2 4.38Å; Y679-V720 VanDerWaalsContact CB-CG1 3.5Å; S680-V720 VanDerWaalsContact OG-CG1 3.29Å; S680-V720 WeakPolarHBondContact OG-CG1 3.42Å; E716-V720 PolarHBondContact O-N 3.48Å; A717-V720 PolarHBondContact O-N 3.48Å; V720-Q722 VanDerWaalsContact C-N 3.26Å; V720-Q722 PolarHBondContact O-N 3.42Å; V720-A723 PolarHBondContact O-N 3.12Å; V720-V724 HydrophobicContact CG1-CG2 4.19Å; V720-V724 VanDerWaalsContact O-CG2 3.32Å; V720-V724 WeakPolarHBondContact O-CG2 3.16Å; V720-V724 PolarHBondContact O-N 2.9Å |
| 721 | I | 96.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -57.1 | -43.5 | 175 | -68.6 | 158.6 | 0 | 0 | 0 | 110.5 | Y679 L683 A717 L718 W725 I732 I735 M739 I745 | Y679-I721 HydrophobicContact CD1-CD1 4.28Å; Y679-I721 HydrophobicContact CD1-CG1 4.06Å; Y679-I721 HydrophobicContact CE1-CD1 4.13Å; Y679-I721 HydrophobicContact CE1-CG1 4.42Å; L683-I721 HydrophobicContact CD1-CB 4.36Å; L683-I721 HydrophobicContact CD1-CG1 3.95Å; A717-I721 WeakPolarHBondContact O-CD1 3.49Å; A717-I721 VanDerWaalsContact O-CG1 3.29Å; A717-I721 WeakPolarHBondContact O-CG1 3.3Å; A717-I721 PolarHBondContact O-N 3.45Å; L718-I721 HydrophobicContact CD2-CD1 4.3Å; L718-I721 PolarHBondContact O-N 2.88Å; I721-W725 WeakPolarHBondContact O-CB 3.21Å; I721-W725 PolarHBondContact O-N 3.28Å; I721-I732 HydrophobicContact CG2-CG2 4.35Å; I721-I735 HydrophobicContact CD1-CG2 3.86Å; I721-I735 HydrophobicContact CG1-CG2 4.16Å; I721-I735 HydrophobicContact CG2-CB 4.27Å; I721-I735 HydrophobicContact CG2-CD1 4.33Å; I721-I735 HydrophobicContact CG2-CG2 4.06Å; I721-M739 HydrophobicContact CD1-SD 3.88Å; I721-I745 HydrophobicContact CD1-CD1 4.4Å |
| 722 | Q | 94.8 | Very high | 95.2 | Very high | 19 Ų | 19 | 22.8 Ų | 22.8 | 9% | 0.089 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.9 | -45.5 | 177.2 | -177.2 | -176.8 | 21.7 | 0 | 0 | 112.5 | L718 H719 V720 W725 A726 I732 W753 M759 Y782 | L718-Q722 VanDerWaalsContact O-CB 3.31Å; L718-Q722 WeakPolarHBondContact O-CB 3.39Å; L718-Q722 PolarHBondContact O-N 3.32Å; H719-Q722 PolarHBondContact ND1-OE1 3.47Å; H719-Q722 PolarHBondContact O-N 3.41Å; V720-Q722 VanDerWaalsContact C-N 3.26Å; V720-Q722 PolarHBondContact O-N 3.42Å; Q722-W725 CarbonylContact O-C 3.6Å; Q722-W725 PolarHBondContact O-N 3.21Å; Q722-A726 WeakPolarHBondContact O-CA 3.28Å; Q722-A726 WeakPolarHBondContact O-CB 3.41Å; Q722-A726 PolarHBondContact O-N 3.36Å; Q722-I732 HydrophobicContact CB-CD1 4.48Å; Q722-I732 HydrophobicContact CG-CD1 4.3Å; Q722-W753 HydrophobicContact CB-CZ2 4.48Å; Q722-W753 HydrophobicContact CG-CZ2 4.49Å; Q722-M759 PolarHBondContact NE2-SD 2.91Å; Q722-Y782 PolarHBondContact NE2-OH 2.97Å |
| 723 | A | 92.8 | Very high | 95.3 | Very high | 32 Ų | 32 | 17.7 Ų | 17.7 | 26% | 0.264 | 10% | 0.103 | S | C | . | . | H | α-helix | trans | -64.3 | -45.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | H719 V720 W725 | H719-A723 WeakPolarHBondContact O-CB 3.21Å; H719-A723 PolarHBondContact O-N 3.12Å; V720-A723 PolarHBondContact O-N 3.12Å; A723-W725 VanDerWaalsContact C-N 3.31Å; A723-W725 PolarHBondContact O-N 3.46Å |
| 724 | V | 94.9 | Very high | 95.2 | Very high | 4 Ų | 4 | 18 Ų | 18 | 2% | 0.024 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.9 | -30.7 | -179.2 | 176 | 0 | 0 | 0 | 0 | 112.3 | V505 I506 L683 I684 V720 | V505-V724 HydrophobicContact CG2-CG1 3.44Å; V505-V724 VanDerWaalsContact CG2-CG1 3.44Å; V505-V724 WeakPolarHBondContact CG2-O 3.29Å; I506-V724 PolarHBondContact N-O 2.81Å; L683-V724 HydrophobicContact CB-CG1 3.77Å; L683-V724 HydrophobicContact CD1-CB 4.04Å; L683-V724 HydrophobicContact CD1-CG1 4.15Å; L683-V724 HydrophobicContact CD1-CG2 4.27Å; I684-V724 HydrophobicContact CD1-CG1 4.3Å; I684-V724 HydrophobicContact CG1-CG1 4.42Å; V720-V724 HydrophobicContact CG1-CG2 4.19Å; V720-V724 VanDerWaalsContact O-CG2 3.32Å; V720-V724 WeakPolarHBondContact O-CG2 3.16Å; V720-V724 PolarHBondContact O-N 2.9Å |
| 725 | W | 95 | Very high | 95.2 | Very high | 9 Ų | 9 | 17.5 Ų | 17.5 | 3% | 0.034 | 10% | 0.101 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | 23.5 | -176.8 | -67.7 | 110.9 | 0 | 0 | 0 | 114.6 | V505 H687 I721 Q722 A723 N727 N728 M731 I732 | V505-W725 HydrophobicContact CB-CE3 4.15Å; V505-W725 HydrophobicContact CB-CH2 4.12Å; V505-W725 HydrophobicContact CB-CZ3 3.83Å; V505-W725 HydrophobicContact CG2-CD2 4.13Å; V505-W725 HydrophobicContact CG2-CE3 4.02Å; V505-W725 HydrophobicContact CG2-CH2 4.08Å; V505-W725 HydrophobicContact CG2-CZ2 4.11Å; V505-W725 HydrophobicContact CG2-CZ3 4.01Å; H687-W725 HydrophobicContact CB-CH2 3.69Å; H687-W725 HydrophobicContact CB-CZ2 3.93Å; I721-W725 WeakPolarHBondContact O-CB 3.21Å; I721-W725 PolarHBondContact O-N 3.28Å; Q722-W725 CarbonylContact O-C 3.6Å; Q722-W725 PolarHBondContact O-N 3.21Å; A723-W725 VanDerWaalsContact C-N 3.31Å; A723-W725 PolarHBondContact O-N 3.46Å; W725-N727 PolarHBondContact O-N 3.27Å; W725-N727 VanDerWaalsContact O-N 3.16Å; W725-N728 HydrophobicContact CE3-CB 3.91Å; W725-N728 HydrophobicContact CZ3-CB 4.45Å; W725-N728 CarbonylContact O-C 3.58Å; W725-N728 WeakPolarHBondContact O-CA 3.34Å; W725-N728 PolarHBondContact O-N 2.79Å; W725-M731 HydrophobicContact CB-CB 4.23Å; W725-M731 HydrophobicContact CD2-CB 3.65Å; W725-M731 HydrophobicContact CD2-CG 4.09Å; W725-M731 HydrophobicContact CE3-CB 3.88Å; W725-M731 HydrophobicContact CE3-CG 3.9Å; W725-M731 HydrophobicContact CG-CB 3.85Å; W725-M731 HydrophobicContact CH2-CE 4.03Å; W725-M731 HydrophobicContact CH2-CG 4.13Å; W725-M731 HydrophobicContact CZ2-CE 3.69Å; W725-M731 HydrophobicContact CZ2-CG 4.36Å; W725-M731 HydrophobicContact CZ3-CB 4.39Å; W725-M731 HydrophobicContact CZ3-CG 3.92Å; W725-I732 HydrophobicContact CB-CD1 4.49Å; W725-I732 HydrophobicContact CB-CG1 3.74Å |
| 726 | A | 91.3 | Very high | 95.2 | Very high | 35 Ų | 35 | 16.7 Ų | 16.7 | 29% | 0.289 | 10% | 0.096 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -35.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113 | I506 Q722 N728 | I506-A726 HydrophobicContact CD1-CB 3.87Å; Q722-A726 WeakPolarHBondContact O-CA 3.28Å; Q722-A726 WeakPolarHBondContact O-CB 3.41Å; Q722-A726 PolarHBondContact O-N 3.36Å; A726-N728 VanDerWaalsContact C-N 3.29Å; A726-N728 PolarHBondContact O-N 2.9Å |
| 727 | N | 92.3 | Very high | 95.1 | Very high | 41 Ų | 41 | 18.1 Ų | 18.1 | 22% | 0.219 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -14.5 | 174.7 | -69.9 | -12 | 0 | 0 | 0 | 114.1 | P501 P503 T504 W725 | P501-N727 HydrophobicContact CB-CB 4.21Å; P501-N727 WeakPolarHBondContact CB-OD1 3.2Å; P501-N727 HydrophobicContact CG-CB 4.15Å; P501-N727 WeakPolarHBondContact CG-OD1 3.48Å; P503-N727 WeakPolarHBondContact CA-O 3.32Å; T504-N727 PolarHBondContact OG1-ND2 2.88Å; W725-N727 PolarHBondContact O-N 3.27Å; W725-N727 VanDerWaalsContact O-N 3.16Å |
| 728 | N | 93.2 | Very high | 95 | Very high | 27 Ų | 27 | 19.2 Ų | 19.2 | 14% | 0.144 | 11% | 0.108 | C | C | . | . | trans | -130.4 | 78 | -179.1 | -169 | -22.6 | 0 | 0 | 0 | 111.6 | P503 W725 A726 Q730 M731 | P503-N728 HydrophobicContact CB-CB 3.98Å; W725-N728 HydrophobicContact CE3-CB 3.91Å; W725-N728 HydrophobicContact CZ3-CB 4.45Å; W725-N728 CarbonylContact O-C 3.58Å; W725-N728 WeakPolarHBondContact O-CA 3.34Å; W725-N728 PolarHBondContact O-N 2.79Å; A726-N728 VanDerWaalsContact C-N 3.29Å; A726-N728 PolarHBondContact O-N 2.9Å; N728-Q730 PolarHBondContact O-N 3.21Å; N728-Q730 VanDerWaalsContact O-N 3.08Å; N728-Q730 WeakPolarHBondContact OD1-CB 3.38Å; N728-Q730 PolarHBondContact OD1-N 3.43Å; N728-M731 HydrophobicContact CB-CB 4.45Å; N728-M731 HydrophobicContact CB-CG 4.35Å; N728-M731 WeakPolarHBondContact ND2-CG 3.36Å; N728-M731 PolarHBondContact O-N 3.45Å; N728-M731 PolarHBondContact OD1-N 3.32Å | ||
| 729 | P | 92.7 | Very high | 95 | Very high | 42 Ų | 42 | 19.1 Ų | 19.1 | 27% | 0.273 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -59 | -23.6 | -179.5 | -26.1 | 35.4 | 0 | 0 | 0 | 114.7 | M731 I732 V733 Y782 | P729-M731 VanDerWaalsContact C-N 3.34Å; P729-I732 PolarHBondContact O-N 3.4Å; P729-V733 WeakPolarHBondContact O-CG2 3.36Å; P729-V733 PolarHBondContact O-N 2.94Å; P729-Y782 HydrophobicContact CB-CD1 3.76Å; P729-Y782 HydrophobicContact CB-CD2 4.44Å; P729-Y782 HydrophobicContact CB-CG 3.7Å; P729-Y782 HydrophobicContact CG-CD1 4.26Å |
| 730 | Q | 93.8 | Very high | 94.8 | Very high | 66 Ų | 66 | 19 Ų | 19 | 31% | 0.308 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -65.4 | -37.7 | 175.4 | -171.6 | -177.3 | 6.2 | 0 | 0 | 111.5 | R480 N728 V733 I734 | R480-Q730 HydrophobicContact CG-CB 4.33Å; R480-Q730 HydrophobicContact CG-CG 4.42Å; N728-Q730 PolarHBondContact O-N 3.21Å; N728-Q730 VanDerWaalsContact O-N 3.08Å; N728-Q730 WeakPolarHBondContact OD1-CB 3.38Å; N728-Q730 PolarHBondContact OD1-N 3.43Å; Q730-V733 PolarHBondContact O-N 3.08Å; Q730-I734 HydrophobicContact CG-CD1 3.8Å; Q730-I734 HydrophobicContact CG-CG1 4.49Å; Q730-I734 WeakPolarHBondContact O-CB 3.37Å; Q730-I734 VanDerWaalsContact O-CG1 3.26Å; Q730-I734 WeakPolarHBondContact O-CG1 3.33Å; Q730-I734 PolarHBondContact O-N 3.47Å |
| 731 | M | 96 | Very high | 94.6 | Very high | 14 Ų | 14 | 23.8 Ų | 23.8 | 7% | 0.069 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.5 | -39 | 176.5 | -73.4 | -61.9 | -65.4 | 0 | 0 | 112 | I690 W725 N728 P729 V733 I734 I735 | I690-M731 HydrophobicContact CD1-SD 4.47Å; I690-M731 HydrophobicContact CG1-CE 4.22Å; I690-M731 HydrophobicContact CG1-SD 3.61Å; W725-M731 HydrophobicContact CB-CB 4.23Å; W725-M731 HydrophobicContact CD2-CB 3.65Å; W725-M731 HydrophobicContact CD2-CG 4.09Å; W725-M731 HydrophobicContact CE3-CB 3.88Å; W725-M731 HydrophobicContact CE3-CG 3.9Å; W725-M731 HydrophobicContact CG-CB 3.85Å; W725-M731 HydrophobicContact CH2-CE 4.03Å; W725-M731 HydrophobicContact CH2-CG 4.13Å; W725-M731 HydrophobicContact CZ2-CE 3.69Å; W725-M731 HydrophobicContact CZ2-CG 4.36Å; W725-M731 HydrophobicContact CZ3-CB 4.39Å; W725-M731 HydrophobicContact CZ3-CG 3.92Å; N728-M731 HydrophobicContact CB-CB 4.45Å; N728-M731 HydrophobicContact CB-CG 4.35Å; N728-M731 WeakPolarHBondContact ND2-CG 3.36Å; N728-M731 PolarHBondContact O-N 3.45Å; N728-M731 PolarHBondContact OD1-N 3.32Å; P729-M731 VanDerWaalsContact C-N 3.34Å; M731-V733 VanDerWaalsContact C-N 3.35Å; M731-V733 PolarHBondContact O-N 3.42Å; M731-I734 PolarHBondContact O-N 3.49Å; M731-I735 HydrophobicContact CB-CD1 4.41Å; M731-I735 HydrophobicContact CE-CD1 4.17Å; M731-I735 HydrophobicContact CE-CG1 4.5Å; M731-I735 WeakPolarHBondContact O-CB 3.36Å; M731-I735 WeakPolarHBondContact O-CD1 3.49Å; M731-I735 WeakPolarHBondContact O-CG1 3.28Å; M731-I735 PolarHBondContact O-N 2.6Å |
| 732 | I | 96.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -55.5 | -51.7 | 174.5 | -57.8 | 174.7 | 0 | 0 | 0 | 110 | I721 Q722 W725 P729 I734 I735 T736 W753 Y782 | I721-I732 HydrophobicContact CG2-CG2 4.35Å; Q722-I732 HydrophobicContact CB-CD1 4.48Å; Q722-I732 HydrophobicContact CG-CD1 4.3Å; W725-I732 HydrophobicContact CB-CD1 4.49Å; W725-I732 HydrophobicContact CB-CG1 3.74Å; P729-I732 PolarHBondContact O-N 3.4Å; I732-I734 PolarHBondContact O-N 2.98Å; I732-I735 PolarHBondContact O-N 2.97Å; I732-T736 WeakPolarHBondContact O-CB 3.19Å; I732-T736 PolarHBondContact O-N 3.42Å; I732-T736 PolarHBondContact O-OG1 3.35Å; I732-T736 VanDerWaalsContact O-OG1 3.04Å; I732-W753 HydrophobicContact CG2-CH2 4.45Å; I732-Y782 HydrophobicContact CB-CD2 4.31Å; I732-Y782 HydrophobicContact CD1-CD2 4.13Å; I732-Y782 HydrophobicContact CD1-CE2 3.76Å; I732-Y782 HydrophobicContact CG2-CD2 4.07Å; I732-Y782 HydrophobicContact CG2-CE2 4.11Å |
| 733 | V | 96.2 | Very high | 94.2 | Very high | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.4 | -47.3 | 179.9 | 175.7 | 0 | 0 | 0 | 0 | 111.9 | P729 Q730 M731 E737 E785 | P729-V733 WeakPolarHBondContact O-CG2 3.36Å; P729-V733 PolarHBondContact O-N 2.94Å; Q730-V733 PolarHBondContact O-N 3.08Å; M731-V733 VanDerWaalsContact C-N 3.35Å; M731-V733 PolarHBondContact O-N 3.42Å; V733-E737 WeakPolarHBondContact O-CB 3.41Å; V733-E737 PolarHBondContact O-N 3.48Å; V733-E785 HydrophobicContact CG1-CB 4.33Å; V733-E785 HydrophobicContact CG1-CG 3.82Å; V733-E785 HydrophobicContact CG2-CB 3.92Å; V733-E785 HydrophobicContact CG2-CG 4.15Å |
| 734 | I | 95.9 | Very high | 94.4 | Very high | 29 Ų | 29 | 26.4 Ų | 26.4 | 15% | 0.149 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -66.6 | -37.9 | -177.5 | -71.7 | 174.8 | 0 | 0 | 0 | 111.9 | I690 F694 Q730 M731 I732 H738 | I690-I734 HydrophobicContact CD1-CD1 3.82Å; I690-I734 HydrophobicContact CG1-CD1 4.48Å; I690-I734 HydrophobicContact CG1-CG2 4.4Å; I690-I734 HydrophobicContact CG2-CG2 3.74Å; F694-I734 HydrophobicContact CE1-CG2 3.81Å; F694-I734 HydrophobicContact CZ-CG2 3.55Å; Q730-I734 HydrophobicContact CG-CD1 3.8Å; Q730-I734 HydrophobicContact CG-CG1 4.49Å; Q730-I734 WeakPolarHBondContact O-CB 3.37Å; Q730-I734 VanDerWaalsContact O-CG1 3.26Å; Q730-I734 WeakPolarHBondContact O-CG1 3.33Å; Q730-I734 PolarHBondContact O-N 3.47Å; M731-I734 PolarHBondContact O-N 3.49Å; I732-I734 PolarHBondContact O-N 2.98Å; I734-H738 VanDerWaalsContact O-CB 3.28Å; I734-H738 WeakPolarHBondContact O-CB 3.33Å; I734-H738 PolarHBondContact O-N 3.14Å; I734-H738 VanDerWaalsContact O-N 3.08Å |
| 735 | I | 97 | Very high | 94.4 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.2 | -49.7 | 177.3 | -68 | 162.3 | 0 | 0 | 0 | 110.3 | L683 T693 I697 I721 M731 I732 E737 H738 M739 | L683-I735 HydrophobicContact CD2-CD1 3.79Å; T693-I735 HydrophobicContact CG2-CD1 4.07Å; T693-I735 HydrophobicContact CG2-CG1 4.05Å; I697-I735 HydrophobicContact CD1-CG2 4.17Å; I721-I735 HydrophobicContact CD1-CG2 3.86Å; I721-I735 HydrophobicContact CG1-CG2 4.16Å; I721-I735 HydrophobicContact CG2-CB 4.27Å; I721-I735 HydrophobicContact CG2-CD1 4.33Å; I721-I735 HydrophobicContact CG2-CG2 4.06Å; M731-I735 HydrophobicContact CB-CD1 4.41Å; M731-I735 HydrophobicContact CE-CD1 4.17Å; M731-I735 HydrophobicContact CE-CG1 4.5Å; M731-I735 WeakPolarHBondContact O-CB 3.36Å; M731-I735 WeakPolarHBondContact O-CD1 3.49Å; M731-I735 WeakPolarHBondContact O-CG1 3.28Å; M731-I735 PolarHBondContact O-N 2.6Å; I732-I735 PolarHBondContact O-N 2.97Å; I735-E737 PolarHBondContact O-N 3.4Å; I735-H738 PolarHBondContact O-N 3.46Å; I735-M739 HydrophobicContact CG2-CG 4.36Å; I735-M739 HydrophobicContact CG2-SD 3.81Å; I735-M739 WeakPolarHBondContact O-CB 3.32Å; I735-M739 WeakPolarHBondContact O-CG 3.46Å; I735-M739 PolarHBondContact O-N 2.9Å |
| 736 | T | 96.8 | Very high | 94.4 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.8 | -47.4 | 179.4 | -63.3 | 0 | 0 | 0 | 0 | 111.3 | L718 I732 H738 M739 C740 V750 C786 | L718-T736 HydrophobicContact CD2-CG2 3.91Å; L718-T736 WeakPolarHBondContact CD2-OG1 3.36Å; I732-T736 WeakPolarHBondContact O-CB 3.19Å; I732-T736 PolarHBondContact O-N 3.42Å; I732-T736 PolarHBondContact O-OG1 3.35Å; I732-T736 VanDerWaalsContact O-OG1 3.04Å; T736-H738 PolarHBondContact O-N 3.49Å; T736-M739 PolarHBondContact O-N 3.49Å; T736-C740 WeakPolarHBondContact O-CB 3.36Å; T736-C740 PolarHBondContact O-N 3.07Å; T736-C740 PolarHBondContact O-SG 3.08Å; T736-V750 HydrophobicContact CG2-CG1 4.21Å; T736-V750 HydrophobicContact CG2-CG2 3.9Å; T736-C786 HydrophobicContact CG2-CB 4.45Å |
| 737 | E | 94.6 | Very high | 94.5 | Very high | 52 Ų | 52 | 29 Ų | 29 | 24% | 0.243 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59.5 | -45.2 | 174.5 | -179.7 | 178.7 | -159.3 | 0 | 0 | 111.6 | V733 I735 M739 C740 R741 R789 | V733-E737 WeakPolarHBondContact O-CB 3.41Å; V733-E737 PolarHBondContact O-N 3.48Å; I735-E737 PolarHBondContact O-N 3.4Å; E737-M739 PolarHBondContact O-N 3.45Å; E737-C740 PolarHBondContact O-N 3.43Å; E737-R741 WeakPolarHBondContact O-CB 3.31Å; E737-R741 PolarHBondContact O-N 3.17Å; E737-R789 WeakPolarHBondContact OE2-CD 3.47Å; E737-R789 IonicContact OE2-CZ 2.79Å; E737-R789 IonicContact OE2-NE 2.73Å; E737-R789 IonicContact OE2-NH1 2.69Å; E737-R789 PolarHBondContact OE2-NH1 3.44Å |
| 738 | H | 94.7 | Very high | 94.6 | Very high | 22 Ų | 22 | 30.6 Ų | 30.6 | 10% | 0.102 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -60.9 | -47.4 | 179.3 | -173.1 | 115 | 0 | 0 | 0 | 111.5 | F694 I734 I735 T736 R741 V742 | F694-H738 HydrophobicContact CD1-CB 4.13Å; F694-H738 AromaticContact CD1-CE1 3.67Å; F694-H738 AromaticContact CD1-CG 3.67Å; F694-H738 AromaticContact CD1-ND1 3.21Å; F694-H738 WeakPolarHBondContact CD1-ND1 3.25Å; F694-H738 AromaticContact CD2-CE1 3.62Å; F694-H738 AromaticContact CD2-ND1 3.37Å; F694-H738 WeakPolarHBondContact CD2-ND1 3.43Å; F694-H738 HydrophobicContact CE1-CB 3.48Å; F694-H738 VanDerWaalsContact CE1-CB 3.48Å; F694-H738 AromaticContact CE1-CG 3.49Å; F694-H738 VanDerWaalsContact CE1-CG 3.49Å; F694-H738 AromaticContact CE1-ND1 3.16Å; F694-H738 WeakPolarHBondContact CE1-ND1 3.47Å; F694-H738 AromaticContact CE2-ND1 3.32Å; F694-H738 VanDerWaalsContact CE2-ND1 3.32Å; F694-H738 WeakPolarHBondContact CE2-ND1 3.44Å; F694-H738 AromaticContact CG-CE1 3.41Å; F694-H738 VanDerWaalsContact CG-CE1 3.41Å; F694-H738 WeakPolarHBondContact CG-CE1 3.36Å; F694-H738 AromaticContact CG-ND1 3.31Å; F694-H738 VanDerWaalsContact CG-ND1 3.31Å; F694-H738 WeakPolarHBondContact CG-ND1 3.46Å; F694-H738 HydrophobicContact CZ-CB 3.85Å; F694-H738 AromaticContact CZ-CG 3.86Å; F694-H738 AromaticContact CZ-ND1 3.21Å; F694-H738 WeakPolarHBondContact CZ-ND1 3.41Å; I734-H738 VanDerWaalsContact O-CB 3.28Å; I734-H738 WeakPolarHBondContact O-CB 3.33Å; I734-H738 PolarHBondContact O-N 3.14Å; I734-H738 VanDerWaalsContact O-N 3.08Å; I735-H738 PolarHBondContact O-N 3.46Å; T736-H738 PolarHBondContact O-N 3.49Å; H738-R741 WeakPolarHBondContact O-CA 3.34Å; H738-R741 WeakPolarHBondContact O-CB 3.47Å; H738-R741 PolarHBondContact O-N 2.78Å; H738-V742 WeakPolarHBondContact O-CG2 3.25Å; H738-V742 PolarHBondContact O-N 2.93Å |
| 739 | M | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66 | -40.9 | -178.8 | -71.5 | -177.8 | 72.7 | 0 | 0 | 111.8 | Y679 I697 I704 I721 I735 T736 E737 R741 V742 G743 L744 I745 | Y679-M739 HydrophobicContact CE1-CE 3.78Å; Y679-M739 HydrophobicContact CE1-SD 4.32Å; Y679-M739 VanDerWaalsContact OH-CE 3.3Å; Y679-M739 WeakPolarHBondContact OH-CE 3.43Å; I697-M739 HydrophobicContact CD1-CG 4.25Å; I697-M739 HydrophobicContact CD1-SD 4.42Å; I697-M739 HydrophobicContact CG2-CG 4.26Å; I704-M739 HydrophobicContact CD1-CE 4.39Å; I704-M739 HydrophobicContact CG2-CE 4.05Å; I721-M739 HydrophobicContact CD1-SD 3.88Å; I735-M739 HydrophobicContact CG2-CG 4.36Å; I735-M739 HydrophobicContact CG2-SD 3.81Å; I735-M739 WeakPolarHBondContact O-CB 3.32Å; I735-M739 WeakPolarHBondContact O-CG 3.46Å; I735-M739 PolarHBondContact O-N 2.9Å; T736-M739 PolarHBondContact O-N 3.49Å; E737-M739 PolarHBondContact O-N 3.45Å; M739-R741 VanDerWaalsContact C-N 3.29Å; M739-R741 PolarHBondContact O-N 2.98Å; M739-V742 PolarHBondContact O-N 3.37Å; M739-G743 PolarHBondContact O-N 2.92Å; M739-G743 VanDerWaalsContact O-N 3.13Å; M739-L744 HydrophobicContact CB-CB 4.3Å; M739-L744 HydrophobicContact CE-CB 4.22Å; M739-L744 PolarHBondContact O-N 3.19Å; M739-I745 HydrophobicContact CB-CB 4.29Å; M739-I745 HydrophobicContact CB-CD1 3.81Å; M739-I745 HydrophobicContact CB-CG1 3.93Å; M739-I745 HydrophobicContact CE-CD1 3.66Å; M739-I745 HydrophobicContact CE-CG1 3.83Å; M739-I745 HydrophobicContact CG-CD1 4.45Å; M739-I745 PolarHBondContact O-N 3.07Å; M739-I745 HydrophobicContact SD-CD1 3.83Å |
| 740 | C | 93.3 | Very high | 95 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.027 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.5 | -36.7 | 168.6 | -70 | 0 | 0 | 0 | 0 | 112 | T736 E737 G743 I745 V750 R793 | T736-C740 WeakPolarHBondContact O-CB 3.36Å; T736-C740 PolarHBondContact O-N 3.07Å; T736-C740 PolarHBondContact O-SG 3.08Å; E737-C740 PolarHBondContact O-N 3.43Å; C740-G743 PolarHBondContact O-N 3.38Å; C740-I745 WeakPolarHBondContact CA-O 3.45Å; C740-I745 PolarHBondContact SG-O 3.41Å; C740-V750 VanDerWaalsContact SG-CG2 3.55Å; C740-R793 PolarHBondContact O-NE 3.28Å; C740-R793 PolarHBondContact O-NH2 3.26Å |
| 741 | R | 90.9 | Very high | 95.1 | Very high | 100 Ų | 100 | 24.2 Ų | 24.2 | 38% | 0.377 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63 | -41.9 | 179.5 | -174.9 | 162.9 | 63.7 | -178.9 | -2.4 | 112.9 | E737 H738 M739 R793 E873 | E737-R741 WeakPolarHBondContact O-CB 3.31Å; E737-R741 PolarHBondContact O-N 3.17Å; H738-R741 WeakPolarHBondContact O-CA 3.34Å; H738-R741 WeakPolarHBondContact O-CB 3.47Å; H738-R741 PolarHBondContact O-N 2.78Å; M739-R741 VanDerWaalsContact C-N 3.29Å; M739-R741 PolarHBondContact O-N 2.98Å; R741-R793 VanDerWaalsContact CA-CZ 3.47Å; R741-R793 PolarHBondContact O-NH2 3.38Å; R741-E873 IonicContact CZ-OE2 2.74Å; R741-E873 IonicContact NH1-OE2 3.22Å; R741-E873 PolarHBondContact NH1-OE2 3.5Å |
| 742 | V | 92.3 | Very high | 95.1 | Very high | 68 Ų | 68 | 27.8 Ų | 27.8 | 41% | 0.412 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 5.7 | 176.3 | -61.5 | 0 | 0 | 0 | 0 | 114.3 | R705 H738 M739 L744 | R705-V742 PolarHBondContact NH2-O 3.15Å; H738-V742 WeakPolarHBondContact O-CG2 3.25Å; H738-V742 PolarHBondContact O-N 2.93Å; M739-V742 PolarHBondContact O-N 3.37Å; V742-L744 HydrophobicContact CG2-CB 4.3Å; V742-L744 HydrophobicContact CG2-CD1 3.56Å; V742-L744 HydrophobicContact CG2-CG 3.7Å |
| 743 | G | 92.3 | Very high | 95.1 | Very high | 30 Ų | 30 | 27.8 Ų | 27.8 | 31% | 0.309 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.6 | 46.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | R705 M739 C740 | R705-G743 VanDerWaalsContact CZ-O 3.29Å; R705-G743 PolarHBondContact NH1-O 3.08Å; R705-G743 PolarHBondContact NH2-O 2.74Å; M739-G743 PolarHBondContact O-N 2.92Å; M739-G743 VanDerWaalsContact O-N 3.13Å; C740-G743 PolarHBondContact O-N 3.38Å |
| 744 | L | 95.5 | Very high | 95 | Very high | 8 Ų | 8 | 27.7 Ų | 27.7 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -106.2 | -15 | 170 | -67 | 174.7 | 0 | 0 | 0 | 112.6 | I697 A701 I704 R705 M739 V742 | I697-L744 HydrophobicContact CG2-CD1 3.8Å; A701-L744 HydrophobicContact CB-CD1 4.25Å; A701-L744 HydrophobicContact CB-CD2 4.26Å; I704-L744 HydrophobicContact CB-CD2 4.29Å; I704-L744 HydrophobicContact CD1-CD1 3.96Å; I704-L744 HydrophobicContact CG2-CB 3.95Å; I704-L744 HydrophobicContact CG2-CD1 4.18Å; I704-L744 HydrophobicContact CG2-CD2 3.87Å; I704-L744 HydrophobicContact CG2-CG 4.22Å; R705-L744 HydrophobicContact CG-CD2 3.66Å; M739-L744 HydrophobicContact CB-CB 4.3Å; M739-L744 HydrophobicContact CE-CB 4.22Å; M739-L744 PolarHBondContact O-N 3.19Å; V742-L744 HydrophobicContact CG2-CB 4.3Å; V742-L744 HydrophobicContact CG2-CD1 3.56Å; V742-L744 HydrophobicContact CG2-CG 3.7Å |
| 745 | I | 96 | Very high | 94.9 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -135.7 | 130.4 | 171.4 | -66.3 | 178.7 | 0 | 0 | 0 | 107.3 | L718 I721 M739 C740 A749 V750 | L718-I745 HydrophobicContact CD1-CG2 4.17Å; L718-I745 HydrophobicContact CD2-CD1 3.76Å; L718-I745 HydrophobicContact CG-CD1 4.03Å; I721-I745 HydrophobicContact CD1-CD1 4.4Å; M739-I745 HydrophobicContact CB-CB 4.29Å; M739-I745 HydrophobicContact CB-CD1 3.81Å; M739-I745 HydrophobicContact CB-CG1 3.93Å; M739-I745 HydrophobicContact CE-CD1 3.66Å; M739-I745 HydrophobicContact CE-CG1 3.83Å; M739-I745 HydrophobicContact CG-CD1 4.45Å; M739-I745 PolarHBondContact O-N 3.07Å; M739-I745 HydrophobicContact SD-CD1 3.83Å; C740-I745 WeakPolarHBondContact CA-O 3.45Å; C740-I745 PolarHBondContact SG-O 3.41Å; I745-A749 HydrophobicContact CG2-CB 3.89Å; I745-V750 HydrophobicContact CG2-CG2 3.94Å |
| 746 | D | 93.9 | Very high | 94.7 | Very high | 74 Ų | 74 | 27.3 Ų | 27.3 | 40% | 0.396 | 14% | 0.139 | S | C | . | . | trans | -81.1 | 147.4 | 179.8 | -67.5 | -58.3 | 0 | 0 | 0 | 111.3 | Q714 E748 A749 V750 | Q714-D746 PolarHBondContact NE2-OD2 3.21Å; Q714-D746 PolarHBondContact OE1-OD2 3.16Å; D746-E748 PolarHBondContact O-N 3.23Å; D746-E748 VanDerWaalsContact O-N 3.1Å; D746-A749 VanDerWaalsContact O-CB 3.32Å; D746-A749 WeakPolarHBondContact O-CB 3.39Å; D746-A749 PolarHBondContact O-N 2.96Å; D746-V750 PolarHBondContact O-N 2.99Å | ||
| 747 | P | 94.1 | Very high | 94.3 | Very high | 27 Ų | 27 | 30.4 Ų | 30.4 | 18% | 0.175 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -52.7 | -33.5 | 176.6 | -30.1 | 37.8 | 0 | 0 | 0 | 113.9 | V750 V751 T790 V794 V911 | P747-V750 PolarHBondContact O-N 3.04Å; P747-V751 PolarHBondContact O-N 3.1Å; P747-T790 HydrophobicContact CB-CG2 3.6Å; P747-T790 HydrophobicContact CG-CG2 4.37Å; P747-V794 HydrophobicContact CB-CG2 3.85Å; P747-V794 HydrophobicContact CG-CG2 3.7Å; P747-V911 HydrophobicContact CB-CG1 4.25Å; P747-V911 HydrophobicContact CB-CG2 3.73Å |
| 748 | E | 94.7 | Very high | 93.9 | Very high | 74 Ų | 74 | 29.8 Ų | 29.8 | 35% | 0.346 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -68.8 | -31.6 | 178.5 | -148.2 | -175.1 | 139.9 | 0 | 0 | 112.7 | D746 V751 R752 L914 | D746-E748 PolarHBondContact O-N 3.23Å; D746-E748 VanDerWaalsContact O-N 3.1Å; E748-V751 PolarHBondContact O-N 3.05Å; E748-R752 VanDerWaalsContact CD-NH1 3.27Å; E748-R752 PolarHBondContact O-N 2.75Å; E748-R752 IonicContact OE1-CZ 2.75Å; E748-R752 IonicContact OE1-NH1 3.48Å; E748-R752 PolarHBondContact OE1-NH1 2.89Å; E748-R752 IonicContact OE1-NH2 2.68Å; E748-R752 PolarHBondContact OE1-NH2 2.92Å; E748-L914 HydrophobicContact CG-CD2 3.54Å |
| 749 | A | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.6 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | V711 Q714 V715 I745 D746 V751 R752 W753 | V711-A749 HydrophobicContact CG1-CB 3.83Å; Q714-A749 HydrophobicContact CB-CB 3.73Å; Q714-A749 VanDerWaalsContact OE1-CB 3.29Å; V715-A749 HydrophobicContact CG2-CB 4.39Å; V715-A749 WeakPolarHBondContact CG2-O 3.38Å; I745-A749 HydrophobicContact CG2-CB 3.89Å; D746-A749 VanDerWaalsContact O-CB 3.32Å; D746-A749 WeakPolarHBondContact O-CB 3.39Å; D746-A749 PolarHBondContact O-N 2.96Å; A749-V751 VanDerWaalsContact C-N 3.29Å; A749-V751 PolarHBondContact O-N 3.42Å; A749-R752 PolarHBondContact O-N 3.46Å; A749-W753 WeakPolarHBondContact O-CB 3.45Å; A749-W753 PolarHBondContact O-N 3.18Å |
| 750 | V | 96.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63 | -38.5 | 177.1 | -173 | 0 | 0 | 0 | 0 | 110.9 | L718 T736 C740 I745 D746 P747 W753 A754 C786 L787 T790 | L718-V750 HydrophobicContact CD1-CG2 4.4Å; T736-V750 HydrophobicContact CG2-CG1 4.21Å; T736-V750 HydrophobicContact CG2-CG2 3.9Å; C740-V750 VanDerWaalsContact SG-CG2 3.55Å; I745-V750 HydrophobicContact CG2-CG2 3.94Å; D746-V750 PolarHBondContact O-N 2.99Å; P747-V750 PolarHBondContact O-N 3.04Å; V750-W753 HydrophobicContact CG1-CE3 4.34Å; V750-A754 WeakPolarHBondContact O-CB 3.32Å; V750-A754 PolarHBondContact O-N 2.73Å; V750-A754 VanDerWaalsContact O-N 3.09Å; V750-C786 HydrophobicContact CG1-CB 4.16Å; V750-L787 HydrophobicContact CG1-CD2 4.47Å; V750-T790 HydrophobicContact CB-CG2 4.38Å |
| 751 | V | 95.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.012 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -68.9 | -47.3 | 173.6 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | P747 E748 A749 W753 A754 Y755 L787 V911 L914 L915 | P747-V751 PolarHBondContact O-N 3.1Å; E748-V751 PolarHBondContact O-N 3.05Å; A749-V751 VanDerWaalsContact C-N 3.29Å; A749-V751 PolarHBondContact O-N 3.42Å; V751-W753 VanDerWaalsContact C-N 3.31Å; V751-W753 PolarHBondContact O-N 2.88Å; V751-A754 PolarHBondContact O-N 3.1Å; V751-Y755 HydrophobicContact CG1-CD2 3.99Å; V751-Y755 HydrophobicContact CG1-CE2 4.21Å; V751-Y755 WeakPolarHBondContact O-CD2 3.15Å; V751-Y755 PolarHBondContact O-N 3.06Å; V751-Y755 VanDerWaalsContact O-N 3.11Å; V751-L787 HydrophobicContact CG2-CD2 4.02Å; V751-V911 HydrophobicContact CG2-CG1 4.03Å; V751-L914 HydrophobicContact CB-CD2 4.14Å; V751-L914 HydrophobicContact CG1-CD2 3.98Å; V751-L914 HydrophobicContact CG1-CG 3.83Å; V751-L915 HydrophobicContact CG1-CB 4.2Å |
| 752 | R | 96.1 | Very high | 91.9 | Very high | 89 Ų | 89 | 26.3 Ų | 26.3 | 34% | 0.336 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61.6 | -35.4 | 177.4 | -78.8 | -161 | -176.9 | 76.1 | 8.3 | 113.5 | V711 V715 E748 A749 Y755 S756 | V711-R752 VanDerWaalsContact CG1-NH1 3.35Å; V715-R752 HydrophobicContact CG2-CB 3.67Å; E748-R752 VanDerWaalsContact CD-NH1 3.27Å; E748-R752 PolarHBondContact O-N 2.75Å; E748-R752 IonicContact OE1-CZ 2.75Å; E748-R752 IonicContact OE1-NH1 3.48Å; E748-R752 PolarHBondContact OE1-NH1 2.89Å; E748-R752 IonicContact OE1-NH2 2.68Å; E748-R752 PolarHBondContact OE1-NH2 2.92Å; A749-R752 PolarHBondContact O-N 3.46Å; R752-Y755 CarbonylContact O-C 3.1Å; R752-S756 PolarHBondContact O-N 2.98Å; R752-S756 VanDerWaalsContact O-N 3.08Å |
| 753 | W | 96.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63.8 | -50.5 | 172.9 | 164.2 | 72.8 | 0 | 0 | 0 | 111 | V715 L718 H719 Q722 I732 A749 V750 V751 Y755 S756 M759 Y782 V783 C786 | V715-W753 HydrophobicContact CG1-CB 4.15Å; V715-W753 HydrophobicContact CG2-CB 4.23Å; L718-W753 HydrophobicContact CB-CB 4.04Å; L718-W753 HydrophobicContact CB-CD2 4.06Å; L718-W753 HydrophobicContact CB-CG 3.59Å; L718-W753 HydrophobicContact CD1-CB 3.57Å; L718-W753 HydrophobicContact CD1-CD2 4.3Å; L718-W753 HydrophobicContact CD1-CG 3.89Å; L718-W753 HydrophobicContact CG-CB 4.45Å; L718-W753 HydrophobicContact CG-CG 4.33Å; H719-W753 AromaticContact CD2-CD1 3.96Å; H719-W753 AromaticContact CE1-CD1 3.42Å; H719-W753 VanDerWaalsContact CE1-CD1 3.42Å; H719-W753 AromaticContact CE1-NE1 3.63Å; H719-W753 AromaticContact CG-CD1 3.92Å; H719-W753 AromaticContact ND1-CD1 3.58Å; H719-W753 AromaticContact ND1-NE1 3.5Å; H719-W753 PolarHBondContact ND1-NE1 3.06Å; H719-W753 AromaticContact NE2-CD1 3.66Å; Q722-W753 HydrophobicContact CB-CZ2 4.48Å; Q722-W753 HydrophobicContact CG-CZ2 4.49Å; I732-W753 HydrophobicContact CG2-CH2 4.45Å; A749-W753 WeakPolarHBondContact O-CB 3.45Å; A749-W753 PolarHBondContact O-N 3.18Å; V750-W753 HydrophobicContact CG1-CE3 4.34Å; V751-W753 VanDerWaalsContact C-N 3.31Å; V751-W753 PolarHBondContact O-N 2.88Å; W753-Y755 PolarHBondContact O-N 3.3Å; W753-S756 WeakPolarHBondContact O-CB 3.47Å; W753-S756 PolarHBondContact O-N 3.14Å; W753-S756 PolarHBondContact O-OG 3.22Å; W753-M759 HydrophobicContact CH2-CE 4.19Å; W753-M759 HydrophobicContact CZ2-CE 3.79Å; W753-M759 WeakPolarHBondContact O-CG 3.33Å; W753-Y782 HydrophobicContact CH2-CD2 4.49Å; W753-Y782 AromaticContact CH2-CE2 3.99Å; W753-Y782 HydrophobicContact CH2-CE2 3.99Å; W753-Y782 HydrophobicContact CZ2-CE2 4.26Å; W753-V783 HydrophobicContact CH2-CB 4.49Å; W753-V783 HydrophobicContact CH2-CG1 4.23Å; W753-V783 HydrophobicContact CH2-CG2 4.05Å; W753-V783 HydrophobicContact CZ3-CG1 3.99Å; W753-C786 HydrophobicContact CZ3-CB 4.07Å |
| 754 | A | 94.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.3 | -30.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V750 V751 M759 I778 V783 L787 | V750-A754 WeakPolarHBondContact O-CB 3.32Å; V750-A754 PolarHBondContact O-N 2.73Å; V750-A754 VanDerWaalsContact O-N 3.09Å; V751-A754 PolarHBondContact O-N 3.1Å; A754-M759 WeakPolarHBondContact O-CB 3.49Å; A754-I778 HydrophobicContact CB-CD1 3.98Å; A754-V783 HydrophobicContact CB-CG1 3.75Å; A754-L787 HydrophobicContact CB-CD1 4.04Å; A754-L787 HydrophobicContact CB-CD2 3.95Å; A754-L787 HydrophobicContact CB-CG 4.19Å |
| 755 | Y | 94 | Very high | 86 | Confident | 8 Ų | 8 | 30 Ų | 30 | 3% | 0.031 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | 32.5 | 173.6 | -59.4 | -85.1 | 0 | 0 | 0 | 113.2 | V751 R752 W753 T760 I778 W784 L915 R918 H919 L922 F945 | V751-Y755 HydrophobicContact CG1-CD2 3.99Å; V751-Y755 HydrophobicContact CG1-CE2 4.21Å; V751-Y755 WeakPolarHBondContact O-CD2 3.15Å; V751-Y755 PolarHBondContact O-N 3.06Å; V751-Y755 VanDerWaalsContact O-N 3.11Å; R752-Y755 CarbonylContact O-C 3.1Å; W753-Y755 PolarHBondContact O-N 3.3Å; Y755-T760 HydrophobicContact CD1-CG2 4.25Å; Y755-I778 HydrophobicContact CE1-CD1 4.09Å; Y755-I778 HydrophobicContact CE1-CG1 4.05Å; Y755-I778 HydrophobicContact CE2-CD1 4.33Å; Y755-W784 WeakPolarHBondContact OH-CH2 3.34Å; Y755-L915 HydrophobicContact CE2-CD1 3.53Å; Y755-L915 VanDerWaalsContact OH-CD1 3.25Å; Y755-L915 WeakPolarHBondContact OH-CD1 3.44Å; Y755-R918 HydrophobicContact CD1-CB 3.74Å; Y755-R918 HydrophobicContact CD2-CB 3.76Å; Y755-R918 HydrophobicContact CD2-CG 4.36Å; Y755-R918 HydrophobicContact CE1-CB 4.2Å; Y755-R918 HydrophobicContact CE2-CB 4.25Å; Y755-R918 HydrophobicContact CG-CB 3.52Å; Y755-R918 HydrophobicContact CG-CG 4.24Å; Y755-H919 HydrophobicContact CE1-CB 3.94Å; Y755-H919 AromaticContact CE1-ND1 3.62Å; Y755-H919 AromaticContact CZ-ND1 3.79Å; Y755-H919 WeakPolarHBondContact OH-CB 3.19Å; Y755-H919 PolarHBondContact OH-ND1 3.1Å; Y755-H919 VanDerWaalsContact OH-ND1 3.09Å; Y755-L922 HydrophobicContact CD1-CD2 4.35Å; Y755-L922 HydrophobicContact CE1-CD2 4.31Å; Y755-F945 WeakPolarHBondContact O-CE1 3.31Å |
| 756 | S | 92.6 | Very high | 83.1 | Confident | 13 Ų | 13 | 36.6 Ų | 36.6 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -78 | 154.4 | 166.1 | 89.1 | 0 | 0 | 0 | 0 | 110.1 | H719 R752 W753 I758 M759 T760 | H719-S756 PolarHBondContact CE1-OG 3.2Å; H719-S756 PolarHBondContact NE2-OG 3.11Å; R752-S756 PolarHBondContact O-N 2.98Å; R752-S756 VanDerWaalsContact O-N 3.08Å; W753-S756 WeakPolarHBondContact O-CB 3.47Å; W753-S756 PolarHBondContact O-N 3.14Å; W753-S756 PolarHBondContact O-OG 3.22Å; S756-I758 PolarHBondContact O-N 3.49Å; S756-I758 VanDerWaalsContact O-N 3.08Å; S756-M759 WeakPolarHBondContact O-CA 3.33Å; S756-M759 WeakPolarHBondContact O-CB 3.15Å; S756-M759 PolarHBondContact O-N 2.89Å; S756-T760 PolarHBondContact O-N 3.49Å; S756-T760 VanDerWaalsContact O-N 3.11Å; S756-T760 PolarHBondContact O-OG1 3.29Å |
| 757 | P | 88.9 | Confident | 80.6 | Confident | 67 Ų | 67 | 38.1 Ų | 38.1 | 44% | 0.435 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -55.4 | -32.7 | -175.6 | -28.6 | 36.2 | 0 | 0 | 0 | 114.3 | M759 T760 T761 | P757-M759 VanDerWaalsContact C-N 3.27Å; P757-M759 PolarHBondContact O-N 3.43Å; P757-T760 PolarHBondContact O-N 3.02Å; P757-T761 VanDerWaalsContact O-CB 3.31Å; P757-T761 WeakPolarHBondContact O-CB 3.34Å; P757-T761 PolarHBondContact O-N 2.84Å |
| 758 | I | 86.5 | Confident | 77.7 | Confident | 38 Ų | 38 | 41.6 Ų | 41.6 | 20% | 0.195 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -73.5 | -19.4 | 179.5 | -66.3 | 148.7 | 0 | 0 | 0 | 112.5 | P668 S756 K777 | P668-I758 HydrophobicContact CB-CD1 4.07Å; P668-I758 HydrophobicContact CB-CG1 4.48Å; P668-I758 HydrophobicContact CB-CG2 4.09Å; S756-I758 PolarHBondContact O-N 3.49Å; S756-I758 VanDerWaalsContact O-N 3.08Å; I758-K777 PolarHBondContact O-NZ 2.94Å; I758-K777 VanDerWaalsContact O-NZ 3.14Å |
| 759 | M | 90 | Very high | 74.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -89.8 | -31 | 172.8 | -62 | -57.7 | -78.3 | 0 | 0 | 112.5 | Q722 W753 A754 S756 P757 P776 K777 I778 V783 | Q722-M759 PolarHBondContact NE2-SD 2.91Å; W753-M759 HydrophobicContact CH2-CE 4.19Å; W753-M759 HydrophobicContact CZ2-CE 3.79Å; W753-M759 WeakPolarHBondContact O-CG 3.33Å; A754-M759 WeakPolarHBondContact O-CB 3.49Å; S756-M759 WeakPolarHBondContact O-CA 3.33Å; S756-M759 WeakPolarHBondContact O-CB 3.15Å; S756-M759 PolarHBondContact O-N 2.89Å; P757-M759 VanDerWaalsContact C-N 3.27Å; P757-M759 PolarHBondContact O-N 3.43Å; M759-P776 CarbonylContact O-C 3.5Å; M759-K777 HydrophobicContact CE-CB 3.89Å; M759-K777 PolarHBondContact O-N 3.02Å; M759-K777 HydrophobicContact SD-CB 3.87Å; M759-K777 HydrophobicContact SD-CD 4.26Å; M759-I778 WeakPolarHBondContact O-CG2 3.23Å; M759-I778 PolarHBondContact O-N 3.42Å; M759-V783 HydrophobicContact CE-CB 4.48Å; M759-V783 HydrophobicContact CE-CG1 4.15Å; M759-V783 HydrophobicContact CE-CG2 3.47Å; M759-V783 VanDerWaalsContact CE-CG2 3.47Å |
| 760 | T | 89 | Confident | 71.5 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -96.1 | -15.4 | -177.2 | 60.4 | 0 | 0 | 0 | 0 | 114.6 | Y755 S756 P757 I778 L922 F945 | Y755-T760 HydrophobicContact CD1-CG2 4.25Å; S756-T760 PolarHBondContact O-N 3.49Å; S756-T760 VanDerWaalsContact O-N 3.11Å; S756-T760 PolarHBondContact O-OG1 3.29Å; P757-T760 PolarHBondContact O-N 3.02Å; T760-I778 HydrophobicContact CG2-CG2 4.4Å; T760-L922 HydrophobicContact CG2-CD1 4.38Å; T760-L922 HydrophobicContact CG2-CD2 3.87Å; T760-F945 HydrophobicContact CG2-CD1 4.15Å; T760-F945 HydrophobicContact CG2-CE1 4.16Å |
| 761 | T | 81.8 | Confident | 68.3 | Low | 34 Ų | 34 | 57.1 Ų | 57.1 | 21% | 0.209 | 32% | 0.322 | C | S | . | . | trans | -58.8 | 145.7 | -178.5 | -170.6 | 0 | 0 | 0 | 0 | 113.1 | P757 T763 P776 | P757-T761 VanDerWaalsContact O-CB 3.31Å; P757-T761 WeakPolarHBondContact O-CB 3.34Å; P757-T761 PolarHBondContact O-N 2.84Å; T761-T763 PolarHBondContact OG1-N 2.86Å; T761-T763 PolarHBondContact OG1-OG1 3.3Å; T761-P776 VanDerWaalsContact O-CA 3.26Å; T761-P776 WeakPolarHBondContact O-CA 3.28Å; T761-P776 WeakPolarHBondContact O-CB 3.43Å | ||
| 762 | L | 72 | Confident | 65.4 | Low | 18 Ų | 18 | 60.5 Ų | 60.5 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | trans | -91.5 | -2.4 | 173.1 | -58.8 | -166.9 | 0 | 0 | 0 | 113.1 | P776 L926 F946 L956 L961 I964 | L762-P776 HydrophobicContact CD2-CB 4.02Å; L762-P776 HydrophobicContact CD2-CG 3.73Å; L762-L926 HydrophobicContact CD1-CD1 4.02Å; L762-F946 HydrophobicContact CD1-CE1 3.68Å; L762-F946 HydrophobicContact CD1-CZ 4.21Å; L762-F946 HydrophobicContact CG-CE1 3.91Å; L762-F946 HydrophobicContact CG-CZ 4.4Å; L762-L956 HydrophobicContact CB-CD1 3.89Å; L762-L956 HydrophobicContact CD1-CD1 4.03Å; L762-L956 HydrophobicContact CG-CD1 4.4Å; L762-L961 HydrophobicContact CD1-CD2 4.1Å; L762-I964 HydrophobicContact CD2-CD1 4.36Å; L762-I964 HydrophobicContact CD2-CG2 4.3Å | ||
| 763 | T | 59.8 | Low | 63.3 | Low | 42 Ų | 42 | 59 Ų | 59 | 26% | 0.258 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -78.8 | 148 | -175.4 | 54.7 | 0 | 0 | 0 | 0 | 113.7 | T761 D765 H948 | T761-T763 PolarHBondContact OG1-N 2.86Å; T761-T763 PolarHBondContact OG1-OG1 3.3Å; T763-D765 VanDerWaalsContact C-N 3.3Å; T763-D765 PolarHBondContact O-N 3.05Å; T763-H948 WeakPolarHBondContact CG2-NE2 3.49Å |
| 764 | D | 49.5 | Very low | 61.2 | Low | 85 Ų | 85 | 60 Ų | 60 | 46% | 0.455 | 36% | 0.357 | S | S | . | . | trans | -71.9 | 83.3 | 166.8 | -111.8 | -29.3 | 0 | 0 | 0 | 109.9 | T766 A774 | D764-T766 PolarHBondContact O-N 2.76Å; D764-A774 HydrophobicContact CB-CB 4.19Å; D764-A774 WeakPolarHBondContact OD1-CA 3.45Å; D764-A774 PolarHBondContact OD1-N 3.4Å | ||
| 765 | D | 45.9 | Very low | 60.2 | Low | 58 Ų | 58 | 63 Ų | 63 | 31% | 0.31 | 37% | 0.369 | S | S | . | . | trans | -61.2 | 113.6 | 166.9 | -89.5 | -5.8 | 0 | 0 | 0 | 109.3 | T763 V767 K777 | T763-D765 VanDerWaalsContact C-N 3.3Å; T763-D765 PolarHBondContact O-N 3.05Å; D765-V767 PolarHBondContact O-N 3.18Å; D765-K777 IonicContact OD2-NZ 3.55Å; D765-K777 PolarHBondContact OD2-NZ 3.15Å | ||
| 766 | T | 36.2 | Very low | 59.7 | Low | 138 Ų | 138 | 62.8 Ų | 62.8 | 85% | 0.847 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | 15.3 | -168.6 | 52.9 | 0 | 0 | 0 | 0 | 116.6 | D764 | D764-T766 PolarHBondContact O-N 2.76Š|
| 767 | V | 41.8 | Very low | 59.5 | Low | 106 Ų | 106 | 63.9 Ų | 63.9 | 64% | 0.642 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.8 | -14.4 | -173.3 | -170.6 | 0 | 0 | 0 | 0 | 112.6 | D765 | D765-V767 PolarHBondContact O-N 3.18Š|
| 768 | N | 33.3 | Very low | 59.7 | Low | 101 Ų | 101 | 60.7 Ų | 60.7 | 54% | 0.54 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -105.9 | 125.2 | 178.4 | -80.7 | -23.1 | 0 | 0 | 0 | 112.3 | N770 | N768-N770 PolarHBondContact O-N 2.86Š|
| 769 | L | 29.2 | Very low | 60 | Low | 182 Ų | 182 | 58.9 Ų | 58.9 | 95% | 0.953 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -68.9 | 17 | -172.9 | -85.5 | 152 | 0 | 0 | 0 | 116.8 | ||
| 770 | N | 30.3 | Very low | 60 | Low | 104 Ų | 104 | 59.8 Ų | 59.8 | 56% | 0.556 | 35% | 0.346 | S | S | * | . | trans | -123.2 | 73.2 | 175.1 | -78.4 | -20.6 | 0 | 0 | 0 | 109.9 | N768 A772 N773 | N768-N770 PolarHBondContact O-N 2.86Å; N770-A772 PolarHBondContact O-N 3.35Å; N770-N773 PolarHBondContact O-ND2 3.11Å | ||
| 771 | S | 31 | Very low | 60.2 | Low | 113 Ų | 113 | 61.1 Ų | 61.1 | 79% | 0.79 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -66.4 | 49.9 | -174 | -174.4 | 0 | 0 | 0 | 0 | 115.2 | ||
| 772 | A | 35.3 | Very low | 60.7 | Low | 74 Ų | 74 | 60.5 Ų | 60.5 | 61% | 0.612 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -153.2 | 23.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P463 N770 | P463-A772 WeakPolarHBondContact CG-O 3.31Å; N770-A772 PolarHBondContact O-N 3.35Å |
| 773 | N | 50.7 | Low | 61.8 | Low | 58 Ų | 58 | 59.6 Ų | 59.6 | 31% | 0.31 | 34% | 0.341 | S | S | . | . | trans | -144.8 | 40.2 | -165 | -60 | -88.5 | 0 | 0 | 0 | 113.1 | P463 N770 R775 | P463-N773 WeakPolarHBondContact CB-OD1 3.42Å; P463-N773 WeakPolarHBondContact CG-OD1 3.31Å; N770-N773 PolarHBondContact O-ND2 3.11Å; N773-R775 PolarHBondContact O-N 2.88Å | ||
| 774 | A | 53.2 | Low | 63.4 | Low | 21 Ų | 21 | 58.4 Ų | 58.4 | 17% | 0.174 | 33% | 0.332 | C | S | . | . | trans | -52.9 | 103.9 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | D764 L956 | D764-A774 HydrophobicContact CB-CB 4.19Å; D764-A774 WeakPolarHBondContact OD1-CA 3.45Å; D764-A774 PolarHBondContact OD1-N 3.4Å; A774-L956 HydrophobicContact CB-CD2 3.68Å | ||
| 775 | R | 73.6 | Confident | 65.4 | Low | 62 Ų | 62 | 56 Ų | 56 | 23% | 0.234 | 32% | 0.318 | C | S | . | . | trans | -148.7 | 142.6 | 178.1 | 72.3 | 174.7 | -172.4 | -141.2 | 9 | 111.3 | M464 N773 K777 D780 | M464-R775 HydrophobicContact CG-CB 4.06Å; M464-R775 HydrophobicContact SD-CB 3.94Å; M464-R775 WeakPolarHBondContact SD-CD 3.41Å; M464-R775 HydrophobicContact SD-CG 4.32Å; N773-R775 PolarHBondContact O-N 2.88Å; R775-K777 PolarHBondContact O-N 3.46Å; R775-D780 IonicContact CZ-OD1 3.78Å; R775-D780 IonicContact NE-OD1 3.84Å; R775-D780 PolarHBondContact NE-OD1 3.44Å; R775-D780 IonicContact NH2-OD1 2.77Å; R775-D780 PolarHBondContact NH2-OD1 3.42Å | ||
| 776 | P | 83.8 | Confident | 67.7 | Low | 3 Ų | 3 | 53.4 Ų | 53.4 | 2% | 0.019 | 30% | 0.304 | C | S | . | . | trans | -69.7 | 119.9 | 177.8 | 29.1 | -34.3 | 0 | 0 | 0 | 110 | M759 T761 L762 I778 L779 I964 | M759-P776 CarbonylContact O-C 3.5Å; T761-P776 VanDerWaalsContact O-CA 3.26Å; T761-P776 WeakPolarHBondContact O-CA 3.28Å; T761-P776 WeakPolarHBondContact O-CB 3.43Å; L762-P776 HydrophobicContact CD2-CB 4.02Å; L762-P776 HydrophobicContact CD2-CG 3.73Å; P776-I778 HydrophobicContact CB-CG2 3.98Å; P776-I778 PolarHBondContact O-N 3.45Å; P776-I778 VanDerWaalsContact O-N 3.11Å; P776-L779 HydrophobicContact CG-CD1 3.83Å; P776-L779 HydrophobicContact CG-CG 4.17Å; P776-L779 WeakPolarHBondContact O-CB 3.43Å; P776-L779 PolarHBondContact O-N 3.37Å; P776-I964 HydrophobicContact CG-CG2 3.93Å | ||
| 777 | K | 88.3 | Confident | 70.5 | Confident | 37 Ų | 37 | 46.9 Ų | 46.9 | 16% | 0.161 | 26% | 0.264 | C | S | . | . | G | 310 helix | trans | -60.1 | -23.3 | -173 | -59.2 | 166.4 | -164.5 | 137.1 | 0 | 112.8 | I758 M759 D765 R775 L779 D780 V783 | I758-K777 PolarHBondContact O-NZ 2.94Å; I758-K777 VanDerWaalsContact O-NZ 3.14Å; M759-K777 HydrophobicContact CE-CB 3.89Å; M759-K777 PolarHBondContact O-N 3.02Å; M759-K777 HydrophobicContact SD-CB 3.87Å; M759-K777 HydrophobicContact SD-CD 4.26Å; D765-K777 IonicContact OD2-NZ 3.55Å; D765-K777 PolarHBondContact OD2-NZ 3.15Å; R775-K777 PolarHBondContact O-N 3.46Å; K777-L779 PolarHBondContact O-N 3.04Å; K777-L779 VanDerWaalsContact O-N 3.1Å; K777-D780 WeakPolarHBondContact O-CB 3.42Å; K777-D780 PolarHBondContact O-N 2.88Å; K777-V783 WeakPolarHBondContact O-CG2 3.48Å |
| 778 | I | 91.8 | Very high | 72.8 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.246 | C | C | . | . | G | 310 helix | trans | -52.1 | -27 | 167.9 | 178.3 | 58.2 | 0 | 0 | 0 | 112.4 | A754 Y755 M759 T760 P776 V783 W784 L787 L922 | A754-I778 HydrophobicContact CB-CD1 3.98Å; Y755-I778 HydrophobicContact CE1-CD1 4.09Å; Y755-I778 HydrophobicContact CE1-CG1 4.05Å; Y755-I778 HydrophobicContact CE2-CD1 4.33Å; M759-I778 WeakPolarHBondContact O-CG2 3.23Å; M759-I778 PolarHBondContact O-N 3.42Å; T760-I778 HydrophobicContact CG2-CG2 4.4Å; P776-I778 HydrophobicContact CB-CG2 3.98Å; P776-I778 PolarHBondContact O-N 3.45Å; P776-I778 VanDerWaalsContact O-N 3.11Å; I778-V783 HydrophobicContact CD1-CG1 3.88Å; I778-W784 HydrophobicContact CD1-CZ2 3.96Å; I778-W784 HydrophobicContact CG1-CZ2 4.21Å; I778-W784 VanDerWaalsContact O-CD1 3.26Å; I778-W784 PolarHBondContact O-NE1 3.43Å; I778-L787 HydrophobicContact CD1-CD1 4.16Å; I778-L922 HydrophobicContact CG2-CD2 4.19Å |
| 779 | L | 92.5 | Very high | 75.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | G | 310 helix | trans | -87.1 | 0 | 177.8 | -62.5 | -179 | 0 | 0 | 0 | 115 | M464 R469 P776 K777 I964 W967 L968 R971 | M464-L779 HydrophobicContact CE-CB 3.82Å; M464-L779 HydrophobicContact CE-CD1 3.43Å; M464-L779 VanDerWaalsContact CE-CD1 3.43Å; M464-L779 HydrophobicContact CE-CG 4.28Å; R469-L779 PolarHBondContact NH2-O 2.78Å; P776-L779 HydrophobicContact CG-CD1 3.83Å; P776-L779 HydrophobicContact CG-CG 4.17Å; P776-L779 WeakPolarHBondContact O-CB 3.43Å; P776-L779 PolarHBondContact O-N 3.37Å; K777-L779 PolarHBondContact O-N 3.04Å; K777-L779 VanDerWaalsContact O-N 3.1Å; L779-I964 HydrophobicContact CD1-CB 4.48Å; L779-I964 HydrophobicContact CD1-CG2 4Å; L779-W967 HydrophobicContact CD1-CB 3.83Å; L779-W967 HydrophobicContact CD2-CB 3.97Å; L779-W967 HydrophobicContact CG-CB 4.41Å; L779-L968 HydrophobicContact CD1-CG 4.24Å; L779-L968 HydrophobicContact CD2-CD2 3.81Å; L779-L968 HydrophobicContact CD2-CG 4.13Å; L779-L968 HydrophobicContact CG-CD2 4.36Å; L779-R971 HydrophobicContact CD2-CG 4.43Å |
| 780 | D | 91.5 | Very high | 78.4 | Confident | 19 Ų | 19 | 34.5 Ų | 34.5 | 10% | 0.102 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -71 | 139.3 | 170.8 | -71 | -33.7 | 0 | 0 | 0 | 110.9 | R775 K777 Y782 V783 | R775-D780 IonicContact CZ-OD1 3.78Å; R775-D780 IonicContact NE-OD1 3.84Å; R775-D780 PolarHBondContact NE-OD1 3.44Å; R775-D780 IonicContact NH2-OD1 2.77Å; R775-D780 PolarHBondContact NH2-OD1 3.42Å; K777-D780 WeakPolarHBondContact O-CB 3.42Å; K777-D780 PolarHBondContact O-N 2.88Å; D780-Y782 HydrophobicContact CB-CD1 3.56Å; D780-Y782 HydrophobicContact CB-CE1 3.36Å; D780-Y782 PolarHBondContact O-N 2.84Å; D780-Y782 WeakPolarHBondContact OD2-CE1 3.45Å; D780-V783 HydrophobicContact CB-CG2 4.34Å; D780-V783 PolarHBondContact O-N 3.35Å; D780-V783 VanDerWaalsContact O-N 3.1Å |
| 781 | F | 92.2 | Very high | 81.1 | Confident | 28 Ų | 28 | 30.1 Ų | 30.1 | 12% | 0.123 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -28.3 | -173.3 | -89.3 | -110.9 | 0 | 0 | 0 | 113.5 | I436 E473 V783 W784 E785 W967 | I436-F781 HydrophobicContact CD1-CE1 3.89Å; I436-F781 HydrophobicContact CD1-CE2 4.3Å; I436-F781 HydrophobicContact CD1-CZ 3.62Å; E473-F781 HydrophobicContact CG-CB 4.49Å; E473-F781 HydrophobicContact CG-CD2 3.61Å; E473-F781 HydrophobicContact CG-CE2 3.99Å; E473-F781 HydrophobicContact CG-CG 4.09Å; E473-F781 WeakPolarHBondContact OE1-CD2 3.4Å; F781-V783 VanDerWaalsContact C-N 3.31Å; F781-V783 PolarHBondContact O-N 2.96Å; F781-W784 PolarHBondContact O-N 3.33Å; F781-E785 WeakPolarHBondContact O-CB 3.44Å; F781-E785 PolarHBondContact O-N 3.45Å; F781-W967 HydrophobicContact CE2-CE3 4.5Å; F781-W967 AromaticContact CE2-CH2 3.79Å; F781-W967 HydrophobicContact CE2-CH2 3.79Å; F781-W967 AromaticContact CE2-CZ3 3.65Å; F781-W967 HydrophobicContact CE2-CZ3 3.65Å; F781-W967 AromaticContact CZ-CH2 3.77Å; F781-W967 HydrophobicContact CZ-CH2 3.77Å; F781-W967 AromaticContact CZ-CZ3 3.61Å; F781-W967 HydrophobicContact CZ-CZ3 3.61Å |
| 782 | Y | 93.3 | Very high | 83.7 | Confident | 21 Ų | 21 | 26.9 Ų | 26.9 | 8% | 0.082 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -68.7 | -27.4 | 177.9 | 78.2 | -90.2 | 0 | 0 | 0 | 113.2 | Q722 P729 I732 W753 D780 E785 C786 | Q722-Y782 PolarHBondContact NE2-OH 2.97Å; P729-Y782 HydrophobicContact CB-CD1 3.76Å; P729-Y782 HydrophobicContact CB-CD2 4.44Å; P729-Y782 HydrophobicContact CB-CG 3.7Å; P729-Y782 HydrophobicContact CG-CD1 4.26Å; I732-Y782 HydrophobicContact CB-CD2 4.31Å; I732-Y782 HydrophobicContact CD1-CD2 4.13Å; I732-Y782 HydrophobicContact CD1-CE2 3.76Å; I732-Y782 HydrophobicContact CG2-CD2 4.07Å; I732-Y782 HydrophobicContact CG2-CE2 4.11Å; W753-Y782 HydrophobicContact CH2-CD2 4.49Å; W753-Y782 AromaticContact CH2-CE2 3.99Å; W753-Y782 HydrophobicContact CH2-CE2 3.99Å; W753-Y782 HydrophobicContact CZ2-CE2 4.26Å; D780-Y782 HydrophobicContact CB-CD1 3.56Å; D780-Y782 HydrophobicContact CB-CE1 3.36Å; D780-Y782 PolarHBondContact O-N 2.84Å; D780-Y782 WeakPolarHBondContact OD2-CE1 3.45Å; Y782-E785 WeakPolarHBondContact O-CB 3.19Å; Y782-E785 PolarHBondContact O-N 2.83Å; Y782-C786 PolarHBondContact O-N 2.76Å; Y782-C786 PolarHBondContact O-SG 3.5Å; Y782-C786 VanDerWaalsContact O-SG 3.41Å |
| 783 | V | 94.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -71.1 | -42.9 | 176.4 | -174.9 | 0 | 0 | 0 | 0 | 109.6 | W753 A754 M759 K777 I778 D780 F781 E785 C786 L787 | W753-V783 HydrophobicContact CH2-CB 4.49Å; W753-V783 HydrophobicContact CH2-CG1 4.23Å; W753-V783 HydrophobicContact CH2-CG2 4.05Å; W753-V783 HydrophobicContact CZ3-CG1 3.99Å; A754-V783 HydrophobicContact CB-CG1 3.75Å; M759-V783 HydrophobicContact CE-CB 4.48Å; M759-V783 HydrophobicContact CE-CG1 4.15Å; M759-V783 HydrophobicContact CE-CG2 3.47Å; M759-V783 VanDerWaalsContact CE-CG2 3.47Å; K777-V783 WeakPolarHBondContact O-CG2 3.48Å; I778-V783 HydrophobicContact CD1-CG1 3.88Å; D780-V783 HydrophobicContact CB-CG2 4.34Å; D780-V783 PolarHBondContact O-N 3.35Å; D780-V783 VanDerWaalsContact O-N 3.1Å; F781-V783 VanDerWaalsContact C-N 3.31Å; F781-V783 PolarHBondContact O-N 2.96Å; V783-E785 VanDerWaalsContact C-N 3.31Å; V783-E785 PolarHBondContact O-N 3.02Å; V783-C786 WeakPolarHBondContact O-CB 3.24Å; V783-C786 PolarHBondContact O-N 3.15Å; V783-L787 HydrophobicContact CG1-CD1 4.45Å; V783-L787 WeakPolarHBondContact O-CG 3.43Å; V783-L787 PolarHBondContact O-N 3.14Å |
| 784 | W | 92.3 | Very high | 88 | Confident | 16 Ų | 16 | 25.2 Ų | 25.2 | 6% | 0.061 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.1 | -32 | 171 | -68.4 | 94.1 | 0 | 0 | 0 | 112.8 | Y755 I778 F781 L787 S788 H919 R971 V975 | Y755-W784 WeakPolarHBondContact OH-CH2 3.34Å; I778-W784 HydrophobicContact CD1-CZ2 3.96Å; I778-W784 HydrophobicContact CG1-CZ2 4.21Å; I778-W784 VanDerWaalsContact O-CD1 3.26Å; I778-W784 PolarHBondContact O-NE1 3.43Å; F781-W784 PolarHBondContact O-N 3.33Å; W784-L787 HydrophobicContact CD2-CD1 4.26Å; W784-L787 HydrophobicContact CE3-CD1 3.91Å; W784-L787 HydrophobicContact CH2-CD1 4.25Å; W784-L787 HydrophobicContact CZ3-CD1 3.91Å; W784-L787 PolarHBondContact O-N 3.11Å; W784-S788 VanDerWaalsContact O-CB 3.27Å; W784-S788 WeakPolarHBondContact O-CB 3.41Å; W784-S788 PolarHBondContact O-N 2.95Å; W784-H919 AromaticContact CH2-CE1 3.93Å; W784-H919 AromaticContact CH2-ND1 3.83Å; W784-H919 AromaticContact CZ2-CE1 3.8Å; W784-H919 AromaticContact CZ2-ND1 3.94Å; W784-R971 HydrophobicContact CD2-CG 4.13Å; W784-R971 HydrophobicContact CH2-CB 3.77Å; W784-R971 HydrophobicContact CH2-CG 4.33Å; W784-R971 HydrophobicContact CZ2-CB 3.56Å; W784-R971 HydrophobicContact CZ2-CG 3.72Å; W784-R971 HydrophobicContact CZ3-CB 4.34Å; W784-V975 HydrophobicContact CH2-CG2 4.25Å; W784-V975 HydrophobicContact CZ3-CG2 3.62Å |
| 785 | E | 92.3 | Very high | 89.6 | Confident | 36 Ų | 36 | 24.9 Ų | 24.9 | 17% | 0.168 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65 | -41.7 | 172.3 | -157.9 | -179.2 | 167.5 | 0 | 0 | 111.3 | R480 V733 F781 Y782 V783 R789 | R480-E785 IonicContact CZ-OE2 2.98Å; R480-E785 VanDerWaalsContact CZ-OE2 3.32Å; R480-E785 VanDerWaalsContact NH1-CD 3.35Å; R480-E785 IonicContact NH1-OE1 2.77Å; R480-E785 PolarHBondContact NH1-OE1 3.4Å; R480-E785 VanDerWaalsContact NH1-OE1 3.11Å; R480-E785 IonicContact NH1-OE2 2.77Å; R480-E785 PolarHBondContact NH1-OE2 2.94Å; R480-E785 IonicContact NH2-OE2 3.56Å; R480-E785 PolarHBondContact NH2-OE2 3.47Å; V733-E785 HydrophobicContact CG1-CB 4.33Å; V733-E785 HydrophobicContact CG1-CG 3.82Å; V733-E785 HydrophobicContact CG2-CB 3.92Å; V733-E785 HydrophobicContact CG2-CG 4.15Å; F781-E785 WeakPolarHBondContact O-CB 3.44Å; F781-E785 PolarHBondContact O-N 3.45Å; Y782-E785 WeakPolarHBondContact O-CB 3.19Å; Y782-E785 PolarHBondContact O-N 2.83Å; V783-E785 VanDerWaalsContact C-N 3.31Å; V783-E785 PolarHBondContact O-N 3.02Å; E785-R789 WeakPolarHBondContact O-CB 3.48Å; E785-R789 WeakPolarHBondContact O-CG 3.45Å; E785-R789 PolarHBondContact O-N 2.94Å; E785-R789 VanDerWaalsContact O-N 3.1Å; E785-R789 IonicContact OE1-CZ 2.88Å; E785-R789 IonicContact OE1-NE 3.69Å; E785-R789 IonicContact OE1-NH2 2.6Å; E785-R789 PolarHBondContact OE1-NH2 3.14Å |
| 786 | C | 95.3 | Very high | 90.1 | Very high | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.02 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -62.4 | -47.5 | 170.7 | -74.1 | 0 | 0 | 0 | 0 | 112.6 | T736 V750 W753 Y782 V783 T790 | T736-C786 HydrophobicContact CG2-CB 4.45Å; V750-C786 HydrophobicContact CG1-CB 4.16Å; W753-C786 HydrophobicContact CZ3-CB 4.07Å; Y782-C786 PolarHBondContact O-N 2.76Å; Y782-C786 PolarHBondContact O-SG 3.5Å; Y782-C786 VanDerWaalsContact O-SG 3.41Å; V783-C786 WeakPolarHBondContact O-CB 3.24Å; V783-C786 PolarHBondContact O-N 3.15Å; C786-T790 WeakPolarHBondContact O-CB 3.41Å; C786-T790 PolarHBondContact O-N 3.08Å; C786-T790 PolarHBondContact O-OG1 3.35Å |
| 787 | L | 94 | Very high | 90.4 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.9 | -51 | 179.9 | -72.2 | 170.9 | 0 | 0 | 0 | 111.3 | V750 V751 A754 I778 V783 W784 R789 T790 L791 L915 | V750-L787 HydrophobicContact CG1-CD2 4.47Å; V751-L787 HydrophobicContact CG2-CD2 4.02Å; A754-L787 HydrophobicContact CB-CD1 4.04Å; A754-L787 HydrophobicContact CB-CD2 3.95Å; A754-L787 HydrophobicContact CB-CG 4.19Å; I778-L787 HydrophobicContact CD1-CD1 4.16Å; V783-L787 HydrophobicContact CG1-CD1 4.45Å; V783-L787 WeakPolarHBondContact O-CG 3.43Å; V783-L787 PolarHBondContact O-N 3.14Å; W784-L787 HydrophobicContact CD2-CD1 4.26Å; W784-L787 HydrophobicContact CE3-CD1 3.91Å; W784-L787 HydrophobicContact CH2-CD1 4.25Å; W784-L787 HydrophobicContact CZ3-CD1 3.91Å; W784-L787 PolarHBondContact O-N 3.11Å; L787-R789 PolarHBondContact O-N 2.73Å; L787-T790 WeakPolarHBondContact O-CA 3.46Å; L787-T790 WeakPolarHBondContact O-CB 3.48Å; L787-T790 PolarHBondContact O-N 2.95Å; L787-T790 VanDerWaalsContact O-N 3.1Å; L787-L791 WeakPolarHBondContact O-CD1 3.38Å; L787-L791 VanDerWaalsContact O-CG 3.25Å; L787-L791 WeakPolarHBondContact O-CG 3.33Å; L787-L791 PolarHBondContact O-N 3.44Å; L787-L915 HydrophobicContact CD1-CD1 4.23Å; L787-L915 HydrophobicContact CD2-CD1 4.44Å |
| 788 | S | 89 | Confident | 90.4 | Very high | 37 Ų | 37 | 30.5 Ų | 30.5 | 26% | 0.259 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.1 | -44.3 | -178.9 | -171.7 | 0 | 0 | 0 | 0 | 112 | W784 T790 L791 V792 | W784-S788 VanDerWaalsContact O-CB 3.27Å; W784-S788 WeakPolarHBondContact O-CB 3.41Å; W784-S788 PolarHBondContact O-N 2.95Å; S788-T790 VanDerWaalsContact C-N 3.26Å; S788-T790 PolarHBondContact O-N 3.45Å; S788-L791 PolarHBondContact O-N 3.14Å; S788-V792 WeakPolarHBondContact O-CB 3.49Å; S788-V792 VanDerWaalsContact O-CG2 3.31Å; S788-V792 WeakPolarHBondContact O-CG2 3.4Å; S788-V792 PolarHBondContact O-N 3.06Å |
| 789 | R | 89.7 | Confident | 90.2 | Very high | 87 Ų | 87 | 31.4 Ų | 31.4 | 33% | 0.328 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -59 | -37.6 | 172.8 | -72.2 | 178.2 | -168.2 | -126.2 | 5.4 | 112.2 | E737 E785 L787 R793 | E737-R789 WeakPolarHBondContact OE2-CD 3.47Å; E737-R789 IonicContact OE2-CZ 2.79Å; E737-R789 IonicContact OE2-NE 2.73Å; E737-R789 IonicContact OE2-NH1 2.69Å; E737-R789 PolarHBondContact OE2-NH1 3.44Å; E785-R789 WeakPolarHBondContact O-CB 3.48Å; E785-R789 WeakPolarHBondContact O-CG 3.45Å; E785-R789 PolarHBondContact O-N 2.94Å; E785-R789 VanDerWaalsContact O-N 3.1Å; E785-R789 IonicContact OE1-CZ 2.88Å; E785-R789 IonicContact OE1-NE 3.69Å; E785-R789 IonicContact OE1-NH2 2.6Å; E785-R789 PolarHBondContact OE1-NH2 3.14Å; L787-R789 PolarHBondContact O-N 2.73Å; R789-R793 WeakPolarHBondContact O-CB 3.45Å; R789-R793 PolarHBondContact O-N 3.11Å |
| 790 | T | 91.7 | Very high | 90.1 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.8 | -48.8 | 176 | -60.7 | 0 | 0 | 0 | 0 | 111.5 | P747 V750 C786 L787 S788 R793 V794 | P747-T790 HydrophobicContact CB-CG2 3.6Å; P747-T790 HydrophobicContact CG-CG2 4.37Å; V750-T790 HydrophobicContact CB-CG2 4.38Å; C786-T790 WeakPolarHBondContact O-CB 3.41Å; C786-T790 PolarHBondContact O-N 3.08Å; C786-T790 PolarHBondContact O-OG1 3.35Å; L787-T790 WeakPolarHBondContact O-CA 3.46Å; L787-T790 WeakPolarHBondContact O-CB 3.48Å; L787-T790 PolarHBondContact O-N 2.95Å; L787-T790 VanDerWaalsContact O-N 3.1Å; S788-T790 VanDerWaalsContact C-N 3.26Å; S788-T790 PolarHBondContact O-N 3.45Å; T790-R793 WeakPolarHBondContact O-CB 3.33Å; T790-R793 PolarHBondContact O-N 3.43Å; T790-R793 VanDerWaalsContact O-N 3.15Å; T790-V794 WeakPolarHBondContact O-CG2 3.4Å; T790-V794 PolarHBondContact O-N 3.18Å |
| 791 | L | 87.7 | Confident | 90.1 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 6% | 0.058 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62.8 | -45.7 | 179.2 | -64.9 | 159.2 | 0 | 0 | 0 | 111.8 | L787 S788 R793 V794 G795 V911 I912 L915 | L787-L791 WeakPolarHBondContact O-CD1 3.38Å; L787-L791 VanDerWaalsContact O-CG 3.25Å; L787-L791 WeakPolarHBondContact O-CG 3.33Å; L787-L791 PolarHBondContact O-N 3.44Å; S788-L791 PolarHBondContact O-N 3.14Å; L791-R793 VanDerWaalsContact C-N 3.28Å; L791-R793 PolarHBondContact O-N 3.21Å; L791-V794 PolarHBondContact O-N 3Å; L791-G795 PolarHBondContact O-N 3.06Å; L791-V911 HydrophobicContact CD2-CG1 4.04Å; L791-I912 HydrophobicContact CD2-CG1 3.87Å; L791-L915 HydrophobicContact CD1-CD2 3.5Å; L791-L915 VanDerWaalsContact CD1-CD2 3.5Å; L791-L915 HydrophobicContact CD2-CD2 3.96Å; L791-L915 HydrophobicContact CG-CD2 4.27Å |
| 792 | V | 85.2 | Confident | 90 | Very high | 45 Ų | 45 | 39.7 Ų | 39.7 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -58.3 | -39.6 | 173 | 168.6 | 0 | 0 | 0 | 0 | 111.2 | S788 R796 | S788-V792 WeakPolarHBondContact O-CB 3.49Å; S788-V792 VanDerWaalsContact O-CG2 3.31Å; S788-V792 WeakPolarHBondContact O-CG2 3.4Å; S788-V792 PolarHBondContact O-N 3.06Å; V792-R796 HydrophobicContact CG1-CG 4.39Å; V792-R796 VanDerWaalsContact O-CB 3.32Å; V792-R796 WeakPolarHBondContact O-CB 3.35Å; V792-R796 VanDerWaalsContact O-CG 3.23Å; V792-R796 WeakPolarHBondContact O-CG 3.28Å; V792-R796 PolarHBondContact O-N 3.05Å |
| 793 | R | 87.3 | Confident | 89.8 | Confident | 91 Ų | 91 | 41.9 Ų | 41.9 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -62.4 | -44.5 | 175 | 170.9 | 174.4 | 173.7 | 72.3 | -4.6 | 112.4 | C740 R741 R789 T790 L791 R796 R797 | C740-R793 PolarHBondContact O-NE 3.28Å; C740-R793 PolarHBondContact O-NH2 3.26Å; R741-R793 VanDerWaalsContact CA-CZ 3.47Å; R741-R793 PolarHBondContact O-NH2 3.38Å; R789-R793 WeakPolarHBondContact O-CB 3.45Å; R789-R793 PolarHBondContact O-N 3.11Å; T790-R793 WeakPolarHBondContact O-CB 3.33Å; T790-R793 PolarHBondContact O-N 3.43Å; T790-R793 VanDerWaalsContact O-N 3.15Å; L791-R793 VanDerWaalsContact C-N 3.28Å; L791-R793 PolarHBondContact O-N 3.21Å; R793-R796 PolarHBondContact O-N 3.03Å; R793-R797 PolarHBondContact O-N 3Å |
| 794 | V | 88.5 | Confident | 89.7 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -71.3 | -39.1 | -179.4 | -161.9 | 0 | 0 | 0 | 0 | 111.2 | P747 T790 L791 R796 R797 V798 Q908 | P747-V794 HydrophobicContact CB-CG2 3.85Å; P747-V794 HydrophobicContact CG-CG2 3.7Å; T790-V794 WeakPolarHBondContact O-CG2 3.4Å; T790-V794 PolarHBondContact O-N 3.18Å; L791-V794 PolarHBondContact O-N 3Å; V794-R796 VanDerWaalsContact C-N 3.34Å; V794-R796 PolarHBondContact O-N 3.36Å; V794-R797 VanDerWaalsContact O-CB 3.28Å; V794-R797 WeakPolarHBondContact O-CB 3.42Å; V794-R797 PolarHBondContact O-N 3.12Å; V794-R797 VanDerWaalsContact O-N 3.08Å; V794-V798 PolarHBondContact O-N 3.44Å; V794-Q908 HydrophobicContact CG1-CB 3.81Å; V794-Q908 HydrophobicContact CG1-CG 4.31Å |
| 795 | G | 86.2 | Confident | 89.6 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 14% | 0.144 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -41.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L791 R797 V798 A799 | L791-G795 PolarHBondContact O-N 3.06Å; G795-R797 VanDerWaalsContact C-N 3.3Å; G795-R797 PolarHBondContact O-N 2.86Å; G795-V798 PolarHBondContact O-N 3.43Å; G795-A799 PolarHBondContact O-N 2.93Å |
| 796 | R | 85.3 | Confident | 89.5 | Confident | 95 Ų | 95 | 47.4 Ų | 47.4 | 36% | 0.358 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.8 | -29.3 | 173.6 | -76.9 | 171 | 172.3 | 177.2 | -4.9 | 113.2 | V792 R793 V794 R800 M869 | V792-R796 HydrophobicContact CG1-CG 4.39Å; V792-R796 VanDerWaalsContact O-CB 3.32Å; V792-R796 WeakPolarHBondContact O-CB 3.35Å; V792-R796 VanDerWaalsContact O-CG 3.23Å; V792-R796 WeakPolarHBondContact O-CG 3.28Å; V792-R796 PolarHBondContact O-N 3.05Å; R793-R796 PolarHBondContact O-N 3.03Å; V794-R796 VanDerWaalsContact C-N 3.34Å; V794-R796 PolarHBondContact O-N 3.36Å; R796-R800 VanDerWaalsContact O-CB 3.28Å; R796-R800 WeakPolarHBondContact O-CB 3.37Å; R796-R800 PolarHBondContact O-N 3.25Å; R796-R800 VanDerWaalsContact O-N 3.08Å; R796-M869 PolarHBondContact NE-O 3.49Å |
| 797 | R | 90.1 | Very high | 89.3 | Confident | 105 Ų | 105 | 51.9 Ų | 51.9 | 40% | 0.396 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.8 | -49.3 | 171.6 | -175.6 | -171.9 | 177.4 | -165.2 | -0.2 | 110.4 | R793 V794 G795 R800 I801 A904 S907 | R793-R797 PolarHBondContact O-N 3Å; V794-R797 VanDerWaalsContact O-CB 3.28Å; V794-R797 WeakPolarHBondContact O-CB 3.42Å; V794-R797 PolarHBondContact O-N 3.12Å; V794-R797 VanDerWaalsContact O-N 3.08Å; G795-R797 VanDerWaalsContact C-N 3.3Å; G795-R797 PolarHBondContact O-N 2.86Å; R797-R800 PolarHBondContact O-N 3Å; R797-I801 HydrophobicContact CG-CD1 3.99Å; R797-I801 WeakPolarHBondContact O-CG1 3.41Å; R797-I801 PolarHBondContact O-N 2.92Å; R797-I801 VanDerWaalsContact O-N 3.13Å; R797-A904 HydrophobicContact CG-CB 3.98Å; R797-S907 PolarHBondContact NH1-OG 2.97Å |
| 798 | V | 88.5 | Confident | 89 | Confident | 19 Ų | 19 | 51.9 Ų | 51.9 | 12% | 0.115 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -46.6 | 178.6 | 170.7 | 0 | 0 | 0 | 0 | 112 | V794 G795 R800 I801 T802 A904 V905 Q908 | V794-V798 PolarHBondContact O-N 3.44Å; G795-V798 PolarHBondContact O-N 3.43Å; V798-R800 PolarHBondContact O-N 3.12Å; V798-I801 PolarHBondContact O-N 3.5Å; V798-T802 WeakPolarHBondContact O-CB 3.11Å; V798-T802 PolarHBondContact O-N 2.95Å; V798-T802 PolarHBondContact O-OG1 2.94Å; V798-A904 HydrophobicContact CG2-CB 3.69Å; V798-A904 VanDerWaalsContact CG2-O 3.26Å; V798-A904 WeakPolarHBondContact CG2-O 3.19Å; V798-V905 HydrophobicContact CB-CG2 4.49Å; V798-V905 HydrophobicContact CG1-CG2 3.68Å; V798-V905 HydrophobicContact CG2-CG2 3.93Å; V798-Q908 HydrophobicContact CG2-CB 4.21Å |
| 799 | A | 86.4 | Confident | 89.1 | Confident | 19 Ų | 19 | 52.4 Ų | 52.4 | 16% | 0.157 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60 | -46.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | G795 I801 T802 N803 | G795-A799 PolarHBondContact O-N 2.93Å; A799-I801 PolarHBondContact O-N 3.18Å; A799-T802 PolarHBondContact O-N 3.05Å; A799-N803 PolarHBondContact O-N 2.87Å; A799-N803 PolarHBondContact O-OD1 2.93Å |
| 800 | R | 89.9 | Confident | 89 | Confident | 168 Ų | 168 | 53.2 Ų | 53.2 | 63% | 0.634 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -60.2 | -43.5 | 178.7 | -172.8 | -168.8 | -60.3 | 179.6 | -1.9 | 112.7 | R796 R797 V798 R804 | R796-R800 VanDerWaalsContact O-CB 3.28Å; R796-R800 WeakPolarHBondContact O-CB 3.37Å; R796-R800 PolarHBondContact O-N 3.25Å; R796-R800 VanDerWaalsContact O-N 3.08Å; R797-R800 PolarHBondContact O-N 3Å; V798-R800 PolarHBondContact O-N 3.12Å; R800-R804 WeakPolarHBondContact O-CG 3.39Å; R800-R804 PolarHBondContact O-N 3.38Å; R800-R804 VanDerWaalsContact O-N 3.12Å |
| 801 | I | 91.6 | Very high | 88.7 | Confident | 22 Ų | 22 | 56 Ų | 56 | 11% | 0.113 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.4 | -37.6 | -179.5 | -61.2 | 165.5 | 0 | 0 | 0 | 110.4 | R797 V798 A799 N803 R804 L805 L897 A900 R901 A904 | R797-I801 HydrophobicContact CG-CD1 3.99Å; R797-I801 WeakPolarHBondContact O-CG1 3.41Å; R797-I801 PolarHBondContact O-N 2.92Å; R797-I801 VanDerWaalsContact O-N 3.13Å; V798-I801 PolarHBondContact O-N 3.5Å; A799-I801 PolarHBondContact O-N 3.18Å; I801-N803 PolarHBondContact O-N 3.5Å; I801-R804 PolarHBondContact O-N 3.13Å; I801-L805 WeakPolarHBondContact O-CB 3.23Å; I801-L805 PolarHBondContact O-N 2.72Å; I801-L897 HydrophobicContact CG2-CD2 4.46Å; I801-A900 HydrophobicContact CG2-CB 4.12Å; I801-R901 HydrophobicContact CG2-CB 3.9Å; I801-A904 HydrophobicContact CD1-CB 3.73Å |
| 802 | T | 91.4 | Very high | 88.3 | Confident | 31 Ų | 31 | 57.5 Ų | 57.5 | 19% | 0.19 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 174.6 | -55.6 | 0 | 0 | 0 | 0 | 111.4 | V798 A799 R804 L805 E806 | V798-T802 WeakPolarHBondContact O-CB 3.11Å; V798-T802 PolarHBondContact O-N 2.95Å; V798-T802 PolarHBondContact O-OG1 2.94Å; A799-T802 PolarHBondContact O-N 3.05Å; T802-R804 PolarHBondContact O-N 2.91Å; T802-L805 WeakPolarHBondContact O-CB 3.17Å; T802-L805 PolarHBondContact O-N 3.04Å; T802-L805 VanDerWaalsContact O-N 3.14Å; T802-E806 PolarHBondContact O-N 3Å |
| 803 | N | 89 | Confident | 88.1 | Confident | 67 Ų | 67 | 59.9 Ų | 59.9 | 36% | 0.358 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.9 | -40 | 175.7 | -67.9 | 5.4 | 0 | 0 | 0 | 112 | A799 I801 L805 L807 | A799-N803 PolarHBondContact O-N 2.87Å; A799-N803 PolarHBondContact O-OD1 2.93Å; I801-N803 PolarHBondContact O-N 3.5Å; N803-L805 PolarHBondContact O-N 2.93Å; N803-L807 WeakPolarHBondContact O-CB 3.4Å; N803-L807 WeakPolarHBondContact O-CD1 3.43Å; N803-L807 VanDerWaalsContact O-CG 3.3Å; N803-L807 WeakPolarHBondContact O-CG 3.5Å; N803-L807 PolarHBondContact O-N 2.91Å |
| 804 | R | 92.1 | Very high | 87.7 | Confident | 117 Ų | 117 | 60.4 Ų | 60.4 | 44% | 0.442 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.5 | -34.2 | 172.8 | -75.9 | 173.1 | 72.5 | 167.8 | 2.7 | 112.1 | R800 I801 T802 A808 D880 L897 | R800-R804 WeakPolarHBondContact O-CG 3.39Å; R800-R804 PolarHBondContact O-N 3.38Å; R800-R804 VanDerWaalsContact O-N 3.12Å; I801-R804 PolarHBondContact O-N 3.13Å; T802-R804 PolarHBondContact O-N 2.91Å; R804-A808 WeakPolarHBondContact O-CB 3.26Å; R804-A808 PolarHBondContact O-N 2.67Å; R804-D880 IonicContact NH1-OD2 3.18Å; R804-L897 HydrophobicContact CB-CD1 4.39Å; R804-L897 HydrophobicContact CB-CD2 3.93Å; R804-L897 WeakPolarHBondContact O-CD1 3.35Å |
| 805 | L | 91 | Very high | 87 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -74 | -49.7 | -179.4 | 175.7 | 63.6 | 0 | 0 | 0 | 112.4 | I801 T802 N803 A808 K809 V894 L897 E898 | I801-L805 WeakPolarHBondContact O-CB 3.23Å; I801-L805 PolarHBondContact O-N 2.72Å; T802-L805 WeakPolarHBondContact O-CB 3.17Å; T802-L805 PolarHBondContact O-N 3.04Å; T802-L805 VanDerWaalsContact O-N 3.14Å; N803-L805 PolarHBondContact O-N 2.93Å; L805-A808 WeakPolarHBondContact O-CA 3.35Å; L805-A808 WeakPolarHBondContact O-CB 3.35Å; L805-A808 PolarHBondContact O-N 2.94Å; L805-K809 HydrophobicContact CD1-CD 4.49Å; L805-K809 HydrophobicContact CD1-CG 4.45Å; L805-K809 HydrophobicContact CG-CD 4.4Å; L805-K809 PolarHBondContact O-N 2.92Å; L805-V894 HydrophobicContact CD1-CG1 4Å; L805-L897 HydrophobicContact CB-CB 4.18Å; L805-L897 HydrophobicContact CD1-CB 3.76Å; L805-E898 HydrophobicContact CD1-CG 3.43Å; L805-E898 VanDerWaalsContact CD1-CG 3.43Å; L805-E898 HydrophobicContact CD2-CG 3.83Å; L805-E898 HydrophobicContact CG-CG 4.27Å |
| 806 | E | 89.4 | Confident | 86.5 | Confident | 49 Ų | 49 | 72.1 Ų | 72.1 | 23% | 0.229 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.6 | -44 | -178.2 | -64.8 | -63.7 | 121.7 | 0 | 0 | 110.8 | T802 A808 K809 E810 K861 | T802-E806 PolarHBondContact O-N 3Å; E806-A808 PolarHBondContact O-N 2.87Å; E806-K809 WeakPolarHBondContact O-CA 3.26Å; E806-K809 WeakPolarHBondContact O-CB 3.32Å; E806-K809 PolarHBondContact O-N 3.44Å; E806-E810 WeakPolarHBondContact O-CG 3.32Å; E806-E810 PolarHBondContact O-N 3.45Å; E806-K861 IonicContact OE1-NZ 2.96Å; E806-K861 IonicContact OE2-NZ 3.51Å; E806-K861 PolarHBondContact OE2-NZ 2.98Å |
| 807 | L | 90.2 | Very high | 85.5 | Confident | 97 Ų | 97 | 75.6 Ų | 75.6 | 51% | 0.508 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -55.8 | -34.6 | 170.9 | -70.3 | 169.3 | 0 | 0 | 0 | 113.1 | N803 T811 | N803-L807 WeakPolarHBondContact O-CB 3.4Å; N803-L807 WeakPolarHBondContact O-CD1 3.43Å; N803-L807 VanDerWaalsContact O-CG 3.3Å; N803-L807 WeakPolarHBondContact O-CG 3.5Å; N803-L807 PolarHBondContact O-N 2.91Å; L807-T811 WeakPolarHBondContact O-CB 3.44Å; L807-T811 PolarHBondContact O-N 3.43Å; L807-T811 VanDerWaalsContact O-N 3.11Å; L807-T811 PolarHBondContact O-OG1 3.25Å |
| 808 | A | 89.2 | Confident | 84 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -74.9 | -32.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R804 L805 E806 M812 V894 L897 | R804-A808 WeakPolarHBondContact O-CB 3.26Å; R804-A808 PolarHBondContact O-N 2.67Å; L805-A808 WeakPolarHBondContact O-CA 3.35Å; L805-A808 WeakPolarHBondContact O-CB 3.35Å; L805-A808 PolarHBondContact O-N 2.94Å; E806-A808 PolarHBondContact O-N 2.87Å; A808-M812 WeakPolarHBondContact O-CB 3.33Å; A808-M812 PolarHBondContact O-N 3.43Å; A808-V894 HydrophobicContact CB-CG2 3.94Å; A808-L897 HydrophobicContact CB-CD1 3.9Å |
| 809 | K | 90.3 | Very high | 81.8 | Confident | 48 Ų | 48 | 77.8 Ų | 77.8 | 21% | 0.209 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -70.9 | -44.7 | 173.5 | -71.8 | -179.6 | 175.3 | 179.9 | 0 | 111.6 | L805 E806 T811 M812 E813 V894 E898 | L805-K809 HydrophobicContact CD1-CD 4.49Å; L805-K809 HydrophobicContact CD1-CG 4.45Å; L805-K809 HydrophobicContact CG-CD 4.4Å; L805-K809 PolarHBondContact O-N 2.92Å; E806-K809 WeakPolarHBondContact O-CA 3.26Å; E806-K809 WeakPolarHBondContact O-CB 3.32Å; E806-K809 PolarHBondContact O-N 3.44Å; K809-T811 VanDerWaalsContact C-N 3.33Å; K809-T811 PolarHBondContact O-N 2.75Å; K809-M812 CarbonylContact O-C 3.4Å; K809-M812 WeakPolarHBondContact O-CA 3.45Å; K809-M812 WeakPolarHBondContact O-CB 3.29Å; K809-M812 PolarHBondContact O-N 2.9Å; K809-E813 PolarHBondContact O-N 3.11Å; K809-V894 HydrophobicContact CG-CG1 4.06Å; K809-V894 HydrophobicContact CG-CG2 4.4Å; K809-E898 WeakPolarHBondContact CE-OE1 3.46Å; K809-E898 IonicContact NZ-OE1 3.71Å; K809-E898 PolarHBondContact NZ-OE1 2.85Å |
| 810 | E | 87.4 | Confident | 79.3 | Confident | 104 Ų | 104 | 81.3 Ų | 81.3 | 49% | 0.486 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -55.3 | -48.5 | 172.3 | -69.8 | 159.9 | -162.8 | 0 | 0 | 111 | E806 M812 E813 I814 | E806-E810 WeakPolarHBondContact O-CG 3.32Å; E806-E810 PolarHBondContact O-N 3.45Å; E810-M812 VanDerWaalsContact C-N 3.3Å; E810-M812 PolarHBondContact O-N 3.32Å; E810-E813 PolarHBondContact O-N 3.35Å; E810-I814 WeakPolarHBondContact O-CG1 3.43Å; E810-I814 PolarHBondContact O-N 3.36Å |
| 811 | T | 84.9 | Confident | 76.7 | Confident | 63 Ų | 63 | 83.8 Ų | 83.8 | 39% | 0.387 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -58.4 | -40.3 | 174.5 | -56.2 | 0 | 0 | 0 | 0 | 112.2 | L807 K809 N815 V890 | L807-T811 WeakPolarHBondContact O-CB 3.44Å; L807-T811 PolarHBondContact O-N 3.43Å; L807-T811 VanDerWaalsContact O-N 3.11Å; L807-T811 PolarHBondContact O-OG1 3.25Å; K809-T811 VanDerWaalsContact C-N 3.33Å; K809-T811 PolarHBondContact O-N 2.75Å; T811-N815 WeakPolarHBondContact O-CB 3.43Å; T811-N815 VanDerWaalsContact O-CG 3.29Å; T811-N815 PolarHBondContact O-N 2.92Å; T811-N815 VanDerWaalsContact O-N 3.08Å; T811-N815 PolarHBondContact O-ND2 2.94Å; T811-V890 HydrophobicContact CG2-CG1 4.46Å |
| 812 | M | 80.3 | Confident | 74 | Confident | 44 Ų | 44 | 88.3 Ų | 88.3 | 22% | 0.217 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 177.7 | -172 | 179.9 | 65.6 | 0 | 0 | 112.4 | A808 K809 E810 R816 V890 V894 | A808-M812 WeakPolarHBondContact O-CB 3.33Å; A808-M812 PolarHBondContact O-N 3.43Å; K809-M812 CarbonylContact O-C 3.4Å; K809-M812 WeakPolarHBondContact O-CA 3.45Å; K809-M812 WeakPolarHBondContact O-CB 3.29Å; K809-M812 PolarHBondContact O-N 2.9Å; E810-M812 VanDerWaalsContact C-N 3.3Å; E810-M812 PolarHBondContact O-N 3.32Å; M812-R816 WeakPolarHBondContact O-CG 3.38Å; M812-R816 PolarHBondContact O-N 3.05Å; M812-V890 HydrophobicContact CB-CG1 3.88Å; M812-V890 HydrophobicContact CG-CG1 4.4Å; M812-V894 HydrophobicContact SD-CG2 4.29Å |
| 813 | E | 80 | Confident | 71.3 | Confident | 94 Ų | 94 | 92.4 Ų | 92.4 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.7 | -42.3 | 176 | -77.1 | -166.2 | -147 | 0 | 0 | 112.4 | K809 E810 R816 R817 | K809-E813 PolarHBondContact O-N 3.11Å; E810-E813 PolarHBondContact O-N 3.35Å; E813-R816 PolarHBondContact O-N 3.02Å; E813-R817 WeakPolarHBondContact O-CG 3.24Å; E813-R817 PolarHBondContact O-N 3.41Å; E813-R817 IonicContact OE2-CZ 2.75Å; E813-R817 IonicContact OE2-NH2 3.71Å; E813-R817 PolarHBondContact OE2-NH2 3.17Å |
| 814 | I | 80.7 | Confident | 69 | Low | 102 Ų | 102 | 95 Ų | 95 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.8 | -51.3 | 174.2 | -68.1 | 163.9 | 0 | 0 | 0 | 109.4 | E810 R816 R817 S818 | E810-I814 WeakPolarHBondContact O-CG1 3.43Å; E810-I814 PolarHBondContact O-N 3.36Å; I814-R816 VanDerWaalsContact C-N 3.3Å; I814-R816 PolarHBondContact O-N 3.4Å; I814-R817 PolarHBondContact O-N 2.95Å; I814-S818 PolarHBondContact O-N 3.04Å; I814-S818 PolarHBondContact O-OG 3.29Å; I814-S818 VanDerWaalsContact O-OG 3.11Å |
| 815 | N | 73.8 | Confident | 66.4 | Low | 83 Ų | 83 | 96.8 Ų | 96.8 | 44% | 0.444 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -35.2 | 178.9 | -72.6 | -15.4 | 0 | 0 | 0 | 113.3 | T811 S818 | T811-N815 WeakPolarHBondContact O-CB 3.43Å; T811-N815 VanDerWaalsContact O-CG 3.29Å; T811-N815 PolarHBondContact O-N 2.92Å; T811-N815 VanDerWaalsContact O-N 3.08Å; T811-N815 PolarHBondContact O-ND2 2.94Å; N815-S818 PolarHBondContact O-N 3.38Å |
| 816 | R | 74.3 | Confident | 63.7 | Low | 185 Ų | 185 | 108.4 Ų | 108.4 | 70% | 0.698 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.7 | -39.5 | 172.8 | -79.2 | 177.5 | 171.5 | -175.1 | -3.1 | 112.4 | M812 E813 I814 S818 | M812-R816 WeakPolarHBondContact O-CG 3.38Å; M812-R816 PolarHBondContact O-N 3.05Å; E813-R816 PolarHBondContact O-N 3.02Å; I814-R816 VanDerWaalsContact C-N 3.3Å; I814-R816 PolarHBondContact O-N 3.4Å; R816-S818 VanDerWaalsContact C-N 3.33Å |
| 817 | R | 66.1 | Low | 61.4 | Low | 167 Ų | 167 | 114.6 Ų | 114.6 | 63% | 0.63 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -72.3 | -25.8 | 177.4 | -65.2 | 175.1 | -159.1 | -161.1 | 9.6 | 112.5 | E813 I814 S819 | E813-R817 WeakPolarHBondContact O-CG 3.24Å; E813-R817 PolarHBondContact O-N 3.41Å; E813-R817 IonicContact OE2-CZ 2.75Å; E813-R817 IonicContact OE2-NH2 3.71Å; E813-R817 PolarHBondContact OE2-NH2 3.17Å; I814-R817 PolarHBondContact O-N 2.95Å; R817-S819 VanDerWaalsContact C-N 3.34Å; R817-S819 PolarHBondContact O-N 3.25Å |
| 818 | S | 57.6 | Low | 59 | Low | 85 Ų | 85 | 118 Ų | 118 | 59% | 0.594 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.6 | 6.8 | -179.7 | -60.7 | 0 | 0 | 0 | 0 | 115.7 | I814 N815 R816 P820 | I814-S818 PolarHBondContact O-N 3.04Å; I814-S818 PolarHBondContact O-OG 3.29Å; I814-S818 VanDerWaalsContact O-OG 3.11Å; N815-S818 PolarHBondContact O-N 3.38Å; R816-S818 VanDerWaalsContact C-N 3.33Å; S818-P820 VanDerWaalsContact C-CD 3.43Å; S818-P820 WeakPolarHBondContact O-CD 3.48Å |
| 819 | S | 42.6 | Very low | 56.6 | Low | 85 Ų | 85 | 122.6 Ų | 122.6 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | trans | -117.2 | 72.3 | -170.3 | -175.1 | 0 | 0 | 0 | 0 | 114.7 | R817 | R817-S819 VanDerWaalsContact C-N 3.34Å; R817-S819 PolarHBondContact O-N 3.25Å | ||
| 820 | P | 34.2 | Very low | 54.2 | Low | 94 Ų | 94 | 126.8 Ų | 126.8 | 61% | 0.61 | 66% | 0.659 | S | S | * | * | trans | -73.5 | 166.5 | 159.6 | 34.1 | -33.1 | 0 | 0 | 0 | 111.1 | S818 | S818-P820 VanDerWaalsContact C-CD 3.43Å; S818-P820 WeakPolarHBondContact O-CD 3.48Å | ||
| 821 | Y | 35.8 | Very low | 52 | Low | 219 Ų | 219 | 129.9 Ų | 129.9 | 86% | 0.859 | 67% | 0.673 | S | S | * | * | trans | 70.5 | 80.1 | -179.8 | -54.3 | -78.5 | 0 | 0 | 0 | 116.4 | ||||
| 822 | S | 34.3 | Very low | 49.6 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 70% | 0.695 | S | S | * | * | trans | -123.7 | 117.4 | 140.4 | -60.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 823 | T | 35.2 | Very low | 47.5 | Very low | 118 Ų | 118 | 132.4 Ų | 132.4 | 72% | 0.724 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -76 | 139.3 | 178.4 | 41 | 0 | 0 | 0 | 0 | 110.3 | ||
| 824 | P | 39.9 | Very low | 45.5 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 78% | 0.779 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 136.8 | 166.4 | 31.2 | -32.9 | 0 | 0 | 0 | 109.3 | ||
| 825 | D | 37.4 | Very low | 43.4 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 83% | 0.829 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 143 | -179.8 | -61.8 | -65.1 | 0 | 0 | 0 | 111.9 | ||
| 826 | R | 33.7 | Very low | 41.7 | Very low | 247 Ų | 247 | 138.8 Ų | 138.8 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | trans | -122.9 | 103.1 | 170.8 | -99.7 | -175.7 | 163.3 | -175.5 | -5.6 | 107.4 | ||||
| 827 | E | 41.4 | Very low | 39.9 | Very low | 179 Ų | 179 | 133.8 Ų | 133.8 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -102.5 | 132.7 | 161.6 | -69.1 | -170.2 | 143.7 | 0 | 0 | 109.2 | ||||
| 828 | D | 41 | Very low | 38.4 | Very low | 168 Ų | 168 | 134.6 Ų | 134.6 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | trans | 56.6 | 146 | 165.1 | -58.9 | -18.3 | 0 | 0 | 0 | 121.1 | ||||
| 829 | A | 37.4 | Very low | 37.2 | Very low | 97 Ų | 97 | 135 Ų | 135 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | trans | -139.7 | 142.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 830 | D | 39.7 | Very low | 36.8 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 73% | 0.733 | 80% | 0.795 | S | S | * | * | trans | -154.8 | 168.6 | 137.8 | -137.7 | -22.8 | 0 | 0 | 0 | 112.5 | ||||
| 831 | Q | 42.6 | Very low | 36.7 | Very low | 168 Ų | 168 | 143 Ų | 143 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -10.3 | 141.1 | 168.6 | -64.9 | 146.1 | 67.9 | 0 | 0 | 118.2 | ||||
| 832 | G | 34.5 | Very low | 36.6 | Very low | 83 Ų | 83 | 136 Ų | 136 | 86% | 0.856 | 80% | 0.798 | S | S | * | * | cis | 156.6 | 166.1 | 3.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 833 | G | 35.9 | Very low | 36.5 | Very low | 77 Ų | 77 | 136 Ų | 136 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 148.6 | 131.1 | 174 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 834 | D | 36.9 | Very low | 36.4 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 94% | 0.941 | 80% | 0.796 | S | S | * | * | trans | -86.6 | 161.5 | -172.6 | -56.4 | -76.6 | 0 | 0 | 0 | 114.8 | ||||
| 835 | G | 37.7 | Very low | 35.9 | Very low | 77 Ų | 77 | 136.2 Ų | 136.2 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | 178.7 | 77.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 836 | D | 36.9 | Very low | 35.5 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -19.7 | 156 | 159.4 | -80.6 | -35.1 | 0 | 0 | 0 | 120.1 | ||||
| 837 | S | 37.2 | Very low | 35.2 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 56% | 0.559 | 78% | 0.78 | S | S | * | * | cis | -176.6 | 174.9 | -4.5 | 53 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 838 | F | 34.5 | Very low | 34.5 | Very low | 184 Ų | 184 | 130.8 Ų | 130.8 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | 53.8 | 117.4 | 159.3 | -64.5 | -63.6 | 0 | 0 | 0 | 120.4 | ||||
| 839 | S | 33.5 | Very low | 33.9 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | 84.8 | 154.8 | 65.3 | 90.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 840 | R | 33.3 | Very low | 33.4 | Very low | 219 Ų | 219 | 137.1 Ų | 137.1 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | cis | -163.6 | 133.9 | 16.2 | -146.2 | 178.1 | 172 | 179.2 | -2.6 | 113.9 | ||||
| 841 | T | 31.7 | Very low | 32.8 | Very low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | trans | 43.4 | 140.1 | 143.1 | 59.2 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 842 | G | 33.3 | Very low | 32 | Very low | 73 Ų | 73 | 137 Ų | 137 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 158.5 | 76.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 843 | V | 33.9 | Very low | 31.6 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 72% | 0.715 | 79% | 0.789 | S | S | * | * | 82.8 | 99.9 | 78.8 | 175.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 844 | D | 31.1 | Very low | 31.2 | Very low | 148 Ų | 148 | 145.8 Ų | 145.8 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 65.1 | 146.4 | 140.7 | -57.4 | -3.9 | 0 | 0 | 0 | 121.4 | ||||
| 845 | S | 29.5 | Very low | 30.7 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | cis | -161.5 | 174.9 | -7.2 | 43.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 846 | D | 29.3 | Very low | 30.2 | Very low | 144 Ų | 144 | 145 Ų | 145 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | 83.8 | 121.5 | 153 | -68 | -43.5 | 0 | 0 | 0 | 125.4 | ||||
| 847 | S | 28.4 | Very low | 29.7 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | 72.9 | 69.6 | 147.9 | 71.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 848 | F | 25.2 | Very low | 29.2 | Very low | 211 Ų | 211 | 142 Ų | 142 | 93% | 0.925 | 77% | 0.774 | S | S | * | * | trans | -81.5 | 114.4 | 168.8 | -131.9 | -96.8 | 0 | 0 | 0 | 112.7 | ||||
| 849 | F | 29.5 | Very low | 28.8 | Very low | 194 Ų | 194 | 143.9 Ų | 143.9 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 136.2 | 170.4 | -111.7 | -95.6 | 0 | 0 | 0 | 111.4 | K851 | F849-K851 PolarHBondContact O-N 2.96Š|
| 850 | K | 27 | Very low | 28.5 | Very low | 204 Ų | 204 | 144.7 Ų | 144.7 | 89% | 0.887 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 121 | -178 | -69.8 | 177.7 | 177.6 | 176.1 | 0 | 111.8 | ||
| 851 | K | 26.3 | Very low | 28.4 | Very low | 195 Ų | 195 | 139.9 Ų | 139.9 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -99.7 | 128.4 | 155.8 | -72.6 | -173.3 | 175.9 | -176.5 | 0 | 109.4 | F849 | F849-K851 PolarHBondContact O-N 2.96Š|
| 852 | P | 27.1 | Very low | 28.5 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 142.6 | 166.7 | 29.8 | -32.6 | 0 | 0 | 0 | 110.2 | ||
| 853 | K | 26 | Very low | 28.5 | Very low | 204 Ų | 204 | 136.8 Ų | 136.8 | 89% | 0.887 | 73% | 0.729 | S | S | * | * | trans | -101.9 | 75.7 | 173.7 | -81.1 | -170.8 | 174.2 | -176.7 | 0 | 110 | ||||
| 854 | D | 27.5 | Very low | 28.5 | Very low | 140 Ų | 140 | 134.6 Ų | 134.6 | 75% | 0.749 | 71% | 0.713 | S | S | * | * | trans | -107.6 | 84.7 | 171.9 | -71.9 | -64.6 | 0 | 0 | 0 | 110.1 | ||||
| 855 | S | 25.3 | Very low | 28.7 | Very low | 115 Ų | 115 | 137.3 Ų | 137.3 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -123.6 | 52.7 | 174.6 | 67.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 856 | I | 28.5 | Very low | 28.8 | Very low | 123 Ų | 123 | 141 Ų | 141 | 63% | 0.631 | 71% | 0.712 | S | S | * | * | trans | -86.3 | 115.1 | 174 | -62.9 | -178.6 | 0 | 0 | 0 | 108.3 | G858 | I856-G858 PolarHBondContact O-N 3.41Š| ||
| 857 | S | 26 | Very low | 29.1 | Very low | 117 Ų | 117 | 138.5 Ų | 138.5 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | trans | -63.4 | 97.6 | 171.5 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | R859 | S857-R859 PolarHBondContact O-N 2.93Š| ||
| 858 | G | 26.3 | Very low | 29.3 | Very low | 60 Ų | 60 | 136 Ų | 136 | 62% | 0.619 | 67% | 0.672 | S | S | * | * | trans | -80.9 | 100.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I856 V860 | I856-G858 PolarHBondContact O-N 3.41Å; G858-V860 PolarHBondContact O-N 3.1Å | ||
| 859 | R | 26.5 | Very low | 29.6 | Very low | 223 Ų | 223 | 130 Ų | 130 | 84% | 0.842 | 65% | 0.647 | S | S | * | * | trans | -66.3 | 84.5 | 159.9 | -89.6 | -175.4 | 163.6 | -167.8 | -9.3 | 109 | S857 K861 | S857-R859 PolarHBondContact O-N 2.93Å; R859-K861 PolarHBondContact O-N 3.05Å | ||
| 860 | V | 27 | Very low | 29.6 | Very low | 111 Ų | 111 | 124.5 Ų | 124.5 | 67% | 0.673 | 64% | 0.638 | S | S | * | * | trans | -63 | 102.9 | 166.8 | 179.9 | 0 | 0 | 0 | 0 | 107 | G858 | G858-V860 PolarHBondContact O-N 3.1Š| ||
| 861 | K | 30.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 116.4 Ų | 116.4 | 51% | 0.513 | 61% | 0.613 | S | S | . | * | trans | -68.1 | 141.8 | -178.1 | -63.7 | 178.1 | -171.7 | 170.2 | 0 | 109.7 | E806 R859 S863 | E806-K861 IonicContact OE1-NZ 2.96Å; E806-K861 IonicContact OE2-NZ 3.51Å; E806-K861 PolarHBondContact OE2-NZ 2.98Å; R859-K861 PolarHBondContact O-N 3.05Å; K861-S863 PolarHBondContact O-N 3.3Å; K861-S863 PolarHBondContact O-OG 3.34Å | ||
| 862 | V | 34.7 | Very low | 29.6 | Very low | 100 Ų | 100 | 113.3 Ų | 113.3 | 61% | 0.606 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -66.8 | 68.9 | 174.8 | -169.7 | 0 | 0 | 0 | 0 | 110.8 | A115 | A115-V862 HydrophobicContact CB-CG2 4.43Š|
| 863 | S | 32.3 | Very low | 29.6 | Very low | 34 Ų | 34 | 115.3 Ų | 115.3 | 24% | 0.238 | 61% | 0.614 | C | S | . | * | trans | -111.5 | -27.5 | -165.6 | 75.7 | 0 | 0 | 0 | 0 | 113.4 | K861 R865 R866 K867 | K861-S863 PolarHBondContact O-N 3.3Å; K861-S863 PolarHBondContact O-OG 3.34Å; S863-R865 PolarHBondContact O-N 2.96Å; S863-R866 WeakPolarHBondContact O-CB 3.5Å; S863-R866 PolarHBondContact O-N 3.27Å; S863-K867 PolarHBondContact O-N 3.11Å; S863-K867 WeakPolarHBondContact OG-CE 3.42Å; S863-K867 PolarHBondContact OG-NZ 2.61Å | ||
| 864 | D | 35 | Very low | 29.7 | Very low | 73 Ų | 73 | 113.8 Ų | 113.8 | 39% | 0.39 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -75.5 | -32.2 | -164.6 | -58.9 | -75.3 | 0 | 0 | 0 | 112.9 | R866 K867 | D864-R866 PolarHBondContact O-N 2.93Å; D864-K867 PolarHBondContact O-N 3.33Å; D864-K867 WeakPolarHBondContact OD1-CD 3.34Å; D864-K867 WeakPolarHBondContact OD1-CE 3.38Å; D864-K867 IonicContact OD1-NZ 2.74Å; D864-K867 PolarHBondContact OD1-NZ 2.89Å; D864-K867 IonicContact OD2-NZ 3.92Å |
| 865 | R | 33.6 | Very low | 29.7 | Very low | 204 Ų | 204 | 113.5 Ų | 113.5 | 77% | 0.77 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -56.6 | -19.8 | 166.1 | -87.8 | -172.6 | 169.2 | -170.5 | -3.5 | 113.9 | S863 | S863-R865 PolarHBondContact O-N 2.96Å |
| 866 | R | 33.1 | Very low | 29.7 | Very low | 173 Ų | 173 | 112.8 Ų | 112.8 | 65% | 0.653 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -95.3 | -19.3 | 176.3 | -62.4 | -176.4 | -178.1 | 163.1 | 3.5 | 114.1 | S863 D864 | S863-R866 WeakPolarHBondContact O-CB 3.5Å; S863-R866 PolarHBondContact O-N 3.27Å; D864-R866 PolarHBondContact O-N 2.93Å |
| 867 | K | 34.7 | Very low | 29.6 | Very low | 91 Ų | 91 | 112.3 Ų | 112.3 | 40% | 0.396 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -75.2 | -25.8 | -172.6 | -68.7 | 175.4 | -167.3 | 162.7 | 0 | 113.5 | S863 D864 M869 | S863-K867 PolarHBondContact O-N 3.11Å; S863-K867 WeakPolarHBondContact OG-CE 3.42Å; S863-K867 PolarHBondContact OG-NZ 2.61Å; D864-K867 PolarHBondContact O-N 3.33Å; D864-K867 WeakPolarHBondContact OD1-CD 3.34Å; D864-K867 WeakPolarHBondContact OD1-CE 3.38Å; D864-K867 IonicContact OD1-NZ 2.74Å; D864-K867 PolarHBondContact OD1-NZ 2.89Å; D864-K867 IonicContact OD2-NZ 3.92Å; K867-M869 PolarHBondContact O-N 3.02Å |
| 868 | L | 33.8 | Very low | 29.6 | Very low | 58 Ų | 58 | 110 Ų | 110 | 30% | 0.304 | 61% | 0.605 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.7 | -3.1 | -168.2 | -70 | 165.5 | 0 | 0 | 0 | 116.1 | Q387 H388 A870 | Q387-L868 HydrophobicContact CG-CD1 4.44Å; H388-L868 PolarHBondContact CE1-O 3.17Å; H388-L868 VanDerWaalsContact CE1-O 3.27Å; H388-L868 PolarHBondContact ND1-O 3.44Å; L868-A870 PolarHBondContact O-N 2.91Å |
| 869 | M | 31 | Very low | 29.8 | Very low | 84 Ų | 84 | 114.2 Ų | 114.2 | 41% | 0.414 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.9 | 13.5 | 179.3 | -74.9 | -72.9 | -95.7 | 0 | 0 | 115.3 | R796 K867 | R796-M869 PolarHBondContact NE-O 3.49Å; K867-M869 PolarHBondContact O-N 3.02Å |
| 870 | A | 28.8 | Very low | 30.1 | Very low | 79 Ų | 79 | 110 Ų | 110 | 65% | 0.653 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.9 | 32.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | L868 | L868-A870 PolarHBondContact O-N 2.91Š|
| 871 | G | 27.9 | Very low | 30.2 | Very low | 35 Ų | 35 | 114.5 Ų | 114.5 | 36% | 0.361 | 62% | 0.621 | S | S | . | * | trans | -78.4 | 144.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 872 | C | 26 | Very low | 30.1 | Very low | 130 Ų | 130 | 113 Ų | 113 | 88% | 0.878 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 49.4 | 87.6 | 173.2 | -73.2 | 0 | 0 | 0 | 0 | 118.1 | ||
| 873 | E | 27.5 | Very low | 30.1 | Very low | 149 Ų | 149 | 119.7 Ų | 119.7 | 70% | 0.696 | 65% | 0.646 | S | S | * | * | -157.7 | 166.4 | 121.6 | -130.6 | -174.3 | -148.6 | 0 | 0 | 111.7 | R741 | R741-E873 IonicContact CZ-OE2 2.74Å; R741-E873 IonicContact NH1-OE2 3.22Å; R741-E873 PolarHBondContact NH1-OE2 3.5Å | |||
| 874 | L | 28.5 | Very low | 30 | Very low | 173 Ų | 173 | 121.4 Ų | 121.4 | 91% | 0.906 | 67% | 0.669 | S | S | * | * | trans | -72.7 | 132.3 | -172.8 | -73.1 | 165.5 | 0 | 0 | 0 | 112.9 | S876 | L874-S876 PolarHBondContact O-N 3.1Å; L874-S876 VanDerWaalsContact O-N 3.12Å | ||
| 875 | V | 26 | Very low | 29.6 | Very low | 133 Ų | 133 | 122.4 Ų | 122.4 | 81% | 0.806 | 70% | 0.697 | S | S | * | * | trans | -74.1 | 101.5 | 178.8 | -179.9 | 0 | 0 | 0 | 0 | 111 | S877 | V875-S877 PolarHBondContact O-N 3.07Š| ||
| 876 | S | 26.5 | Very low | 29.6 | Very low | 100 Ų | 100 | 115.5 Ų | 115.5 | 70% | 0.699 | 69% | 0.689 | S | S | * | * | trans | -82.2 | 98.6 | 153.3 | -174.9 | 0 | 0 | 0 | 0 | 108.4 | L874 S878 | L874-S876 PolarHBondContact O-N 3.1Å; L874-S876 VanDerWaalsContact O-N 3.12Å; S876-S878 PolarHBondContact O-N 3.09Å; S876-S878 VanDerWaalsContact O-N 3.14Å | ||
| 877 | S | 25.5 | Very low | 30.1 | Very low | 113 Ų | 113 | 117.9 Ų | 117.9 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | trans | -81.1 | 85.4 | 172.8 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | V875 | V875-S877 PolarHBondContact O-N 3.07Š| ||
| 878 | S | 26.9 | Very low | 30.8 | Very low | 70 Ų | 70 | 118.5 Ų | 118.5 | 49% | 0.49 | 71% | 0.712 | S | S | . | * | trans | -138 | 163.1 | 167.1 | 59.9 | 0 | 0 | 0 | 0 | 109.1 | S876 | S876-S878 PolarHBondContact O-N 3.09Å; S876-S878 VanDerWaalsContact O-N 3.14Å | ||
| 879 | D | 29.3 | Very low | 32.6 | Very low | 148 Ų | 148 | 121.7 Ų | 121.7 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 70.1 | 64.6 | 168.5 | -38.6 | -41 | 0 | 0 | 0 | 114.8 | ||
| 880 | D | 33.6 | Very low | 34.6 | Very low | 135 Ų | 135 | 119.6 Ų | 119.6 | 72% | 0.722 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -169 | -6.3 | 152.5 | -116.2 | 3.4 | 0 | 0 | 0 | 113.9 | R804 A882 | R804-D880 IonicContact NH1-OD2 3.18Å; D880-A882 PolarHBondContact O-N 2.82Å |
| 881 | E | 28.4 | Very low | 37 | Very low | 205 Ų | 205 | 117.2 Ų | 117.2 | 96% | 0.958 | 70% | 0.704 | S | S | * | * | trans | -90.3 | 82.6 | 174.4 | -74.5 | -170.7 | -166.5 | 0 | 0 | 112.1 | ||||
| 882 | A | 29.5 | Very low | 39.7 | Very low | 85 Ų | 85 | 117.1 Ų | 117.1 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | trans | -149.6 | 19 | -179.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | D880 | D880-A882 PolarHBondContact O-N 2.82Š| ||
| 883 | Y | 33.9 | Very low | 42.6 | Very low | 241 Ų | 241 | 117 Ų | 117 | 95% | 0.945 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -142.7 | 125.7 | 173.8 | -98.7 | -76.7 | 0 | 0 | 0 | 115.2 | ||
| 884 | G | 29.7 | Very low | 45.6 | Very low | 70 Ų | 70 | 110.3 Ų | 110.3 | 72% | 0.722 | 65% | 0.653 | S | S | * | * | trans | 63.9 | 94.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | G886 | G884-G886 PolarHBondContact O-N 3.28Š| ||
| 885 | G | 28.1 | Very low | 48.6 | Very low | 95 Ų | 95 | 104.6 Ų | 104.6 | 98% | 0.979 | 63% | 0.632 | S | S | * | * | trans | -69.7 | 115.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 886 | G | 33.2 | Very low | 51.7 | Low | 59 Ų | 59 | 104.4 Ų | 104.4 | 61% | 0.608 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -156.4 | 166.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | G884 D888 | G884-G886 PolarHBondContact O-N 3.28Å; G886-D888 PolarHBondContact O-N 3.41Å |
| 887 | K | 42.4 | Very low | 54.9 | Low | 222 Ų | 222 | 100.4 Ų | 100.4 | 97% | 0.965 | 59% | 0.587 | S | S | * | * | trans | -76.2 | 70.6 | 173.6 | -75.9 | -175.4 | 175.9 | 179 | 0 | 110.4 | N889 | K887-N889 PolarHBondContact O-N 3.4Š| ||
| 888 | D | 51.1 | Low | 58.1 | Low | 105 Ų | 105 | 98.8 Ų | 98.8 | 56% | 0.561 | 57% | 0.567 | S | S | * | * | trans | -62.2 | 106.9 | 179.8 | -104.3 | 9.3 | 0 | 0 | 0 | 110.9 | G886 V890 R896 | G886-D888 PolarHBondContact O-N 3.41Å; D888-V890 PolarHBondContact O-N 2.92Å; D888-R896 IonicContact OD1-NH2 3.84Å; D888-R896 IonicContact OD2-CZ 2.69Å; D888-R896 IonicContact OD2-NH1 2.78Å; D888-R896 PolarHBondContact OD2-NH1 3.45Å; D888-R896 IonicContact OD2-NH2 3.35Å; D888-R896 PolarHBondContact OD2-NH2 3.34Å | ||
| 889 | N | 70.2 | Confident | 61.2 | Low | 125 Ų | 125 | 102 Ų | 102 | 67% | 0.668 | 57% | 0.574 | S | S | * | * | trans | -57.2 | 129.1 | 173.9 | 178.8 | -11.3 | 0 | 0 | 0 | 109.5 | K887 G891 G892 R893 | K887-N889 PolarHBondContact O-N 3.4Å; N889-G891 PolarHBondContact O-N 3.37Å; N889-G891 VanDerWaalsContact O-N 3.12Å; N889-G891 PolarHBondContact OD1-N 2.97Å; N889-G891 VanDerWaalsContact OD1-N 3.11Å; N889-G892 WeakPolarHBondContact O-CA 3.35Å; N889-G892 PolarHBondContact O-N 2.84Å; N889-R893 PolarHBondContact O-N 3.44Å | ||
| 890 | V | 73.6 | Confident | 64.3 | Low | 39 Ų | 39 | 96.7 Ų | 96.7 | 24% | 0.236 | 55% | 0.551 | C | S | . | * | H | α-helix | trans | -54.8 | -35.6 | -176.5 | -175.7 | 0 | 0 | 0 | 0 | 111.7 | T811 M812 D888 G892 R893 V894 | T811-V890 HydrophobicContact CG2-CG1 4.46Å; M812-V890 HydrophobicContact CB-CG1 3.88Å; M812-V890 HydrophobicContact CG-CG1 4.4Å; D888-V890 PolarHBondContact O-N 2.92Å; V890-G892 VanDerWaalsContact C-N 3.34Å; V890-G892 PolarHBondContact O-N 3.37Å; V890-R893 WeakPolarHBondContact O-CB 3.3Å; V890-R893 PolarHBondContact O-N 3.33Å; V890-R893 VanDerWaalsContact O-N 3.11Å; V890-V894 WeakPolarHBondContact O-CG2 3.24Å; V890-V894 PolarHBondContact O-N 3.12Å |
| 891 | G | 79.2 | Confident | 67.1 | Low | 29 Ų | 29 | 94.2 Ų | 94.2 | 30% | 0.299 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.6 | -39.6 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | N889 R893 V894 A895 | N889-G891 PolarHBondContact O-N 3.37Å; N889-G891 VanDerWaalsContact O-N 3.12Å; N889-G891 PolarHBondContact OD1-N 2.97Å; N889-G891 VanDerWaalsContact OD1-N 3.11Å; G891-R893 VanDerWaalsContact C-N 3.3Å; G891-R893 PolarHBondContact O-N 3.37Å; G891-V894 PolarHBondContact O-N 3.41Å; G891-A895 PolarHBondContact O-N 3.09Å |
| 892 | G | 85.3 | Confident | 70 | Confident | 33 Ų | 33 | 86.9 Ų | 86.9 | 34% | 0.34 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.3 | -19.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N889 V890 R896 | N889-G892 WeakPolarHBondContact O-CA 3.35Å; N889-G892 PolarHBondContact O-N 2.84Å; V890-G892 VanDerWaalsContact C-N 3.34Å; V890-G892 PolarHBondContact O-N 3.37Å; G892-R896 PolarHBondContact O-NE 3.07Å; G892-R896 PolarHBondContact O-NH2 2.96Å |
| 893 | R | 87 | Confident | 73 | Confident | 128 Ų | 128 | 86.5 Ų | 86.5 | 48% | 0.483 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -78.4 | -39.7 | 166.7 | 173.5 | 173.9 | 161.7 | 176.7 | -8.1 | 111.7 | N889 V890 G891 L897 | N889-R893 PolarHBondContact O-N 3.44Å; V890-R893 WeakPolarHBondContact O-CB 3.3Å; V890-R893 PolarHBondContact O-N 3.33Å; V890-R893 VanDerWaalsContact O-N 3.11Å; G891-R893 VanDerWaalsContact C-N 3.3Å; G891-R893 PolarHBondContact O-N 3.37Å; R893-L897 HydrophobicContact CG-CD1 3.91Å; R893-L897 WeakPolarHBondContact O-CD1 3.18Å; R893-L897 WeakPolarHBondContact O-CG 3.38Å; R893-L897 PolarHBondContact O-N 2.85Å |
| 894 | V | 89.4 | Confident | 75.7 | Confident | 8 Ų | 8 | 75 Ų | 75 | 5% | 0.048 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -61 | -52.4 | 174.8 | 173.3 | 0 | 0 | 0 | 0 | 110.1 | L805 A808 K809 M812 V890 G891 R896 L897 E898 | L805-V894 HydrophobicContact CD1-CG1 4Å; A808-V894 HydrophobicContact CB-CG2 3.94Å; K809-V894 HydrophobicContact CG-CG1 4.06Å; K809-V894 HydrophobicContact CG-CG2 4.4Å; M812-V894 HydrophobicContact SD-CG2 4.29Å; V890-V894 WeakPolarHBondContact O-CG2 3.24Å; V890-V894 PolarHBondContact O-N 3.12Å; G891-V894 PolarHBondContact O-N 3.41Å; V894-R896 PolarHBondContact O-N 3.02Å; V894-L897 CarbonylContact O-C 3.42Å; V894-L897 WeakPolarHBondContact O-CA 3.2Å; V894-L897 WeakPolarHBondContact O-CB 3.34Å; V894-L897 PolarHBondContact O-N 3.36Å; V894-E898 HydrophobicContact CG1-CG 4.24Å; V894-E898 WeakPolarHBondContact O-CG 3.43Å; V894-E898 PolarHBondContact O-N 3.2Å |
| 895 | A | 90.8 | Very high | 78.5 | Confident | 54 Ų | 54 | 73.3 Ų | 73.3 | 45% | 0.446 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -54.6 | -49.4 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G891 L897 E898 E899 | G891-A895 PolarHBondContact O-N 3.09Å; A895-L897 VanDerWaalsContact C-N 3.26Å; A895-L897 PolarHBondContact O-N 3.08Å; A895-E898 PolarHBondContact O-N 2.74Å; A895-E898 VanDerWaalsContact O-N 3.11Å; A895-E899 PolarHBondContact O-N 3.08Å |
| 896 | R | 92.2 | Very high | 81.3 | Confident | 128 Ų | 128 | 75.2 Ų | 75.2 | 48% | 0.483 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.2 | -32.5 | 175.6 | -77.7 | 178.7 | -69.9 | 172.2 | 0.2 | 113.1 | D888 G892 V894 A900 | D888-R896 IonicContact OD1-NH2 3.84Å; D888-R896 IonicContact OD2-CZ 2.69Å; D888-R896 IonicContact OD2-NH1 2.78Å; D888-R896 PolarHBondContact OD2-NH1 3.45Å; D888-R896 IonicContact OD2-NH2 3.35Å; D888-R896 PolarHBondContact OD2-NH2 3.34Å; G892-R896 PolarHBondContact O-NE 3.07Å; G892-R896 PolarHBondContact O-NH2 2.96Å; V894-R896 PolarHBondContact O-N 3.02Å; R896-A900 VanDerWaalsContact O-CB 3.24Å; R896-A900 WeakPolarHBondContact O-CB 3.31Å; R896-A900 PolarHBondContact O-N 3.36Å |
| 897 | L | 93 | Very high | 83.9 | Confident | 16 Ų | 16 | 73.8 Ų | 73.8 | 8% | 0.084 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -78.3 | -28.6 | 176.2 | -72.6 | 167.9 | 0 | 0 | 0 | 112.6 | I801 R804 L805 A808 R893 V894 A895 R901 | I801-L897 HydrophobicContact CG2-CD2 4.46Å; R804-L897 HydrophobicContact CB-CD1 4.39Å; R804-L897 HydrophobicContact CB-CD2 3.93Å; R804-L897 WeakPolarHBondContact O-CD1 3.35Å; L805-L897 HydrophobicContact CB-CB 4.18Å; L805-L897 HydrophobicContact CD1-CB 3.76Å; A808-L897 HydrophobicContact CB-CD1 3.9Å; R893-L897 HydrophobicContact CG-CD1 3.91Å; R893-L897 WeakPolarHBondContact O-CD1 3.18Å; R893-L897 WeakPolarHBondContact O-CG 3.38Å; R893-L897 PolarHBondContact O-N 2.85Å; V894-L897 CarbonylContact O-C 3.42Å; V894-L897 WeakPolarHBondContact O-CA 3.2Å; V894-L897 WeakPolarHBondContact O-CB 3.34Å; V894-L897 PolarHBondContact O-N 3.36Å; A895-L897 VanDerWaalsContact C-N 3.26Å; A895-L897 PolarHBondContact O-N 3.08Å; L897-R901 VanDerWaalsContact O-CB 3.27Å; L897-R901 WeakPolarHBondContact O-CB 3.02Å; L897-R901 PolarHBondContact O-N 3.47Å |
| 898 | E | 92.3 | Very high | 86.1 | Confident | 79 Ų | 79 | 64 Ų | 64 | 37% | 0.369 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.6 | -46.7 | 171.8 | -65.6 | -167.1 | 124.5 | 0 | 0 | 111.2 | L805 K809 V894 A895 R901 C902 | L805-E898 HydrophobicContact CD1-CG 3.43Å; L805-E898 VanDerWaalsContact CD1-CG 3.43Å; L805-E898 HydrophobicContact CD2-CG 3.83Å; L805-E898 HydrophobicContact CG-CG 4.27Å; K809-E898 WeakPolarHBondContact CE-OE1 3.46Å; K809-E898 IonicContact NZ-OE1 3.71Å; K809-E898 PolarHBondContact NZ-OE1 2.85Å; V894-E898 HydrophobicContact CG1-CG 4.24Å; V894-E898 WeakPolarHBondContact O-CG 3.43Å; V894-E898 PolarHBondContact O-N 3.2Å; A895-E898 PolarHBondContact O-N 2.74Å; A895-E898 VanDerWaalsContact O-N 3.11Å; E898-R901 PolarHBondContact O-N 3.13Å; E898-C902 PolarHBondContact O-N 2.95Å; E898-C902 PolarHBondContact O-SG 3.3Å |
| 899 | E | 93.6 | Very high | 87.7 | Confident | 137 Ų | 137 | 59.9 Ų | 59.9 | 64% | 0.64 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -56.9 | -52.5 | 173.2 | -177.1 | 178 | -158.5 | 0 | 0 | 111.4 | A895 R901 C902 E903 | A895-E899 PolarHBondContact O-N 3.08Å; E899-R901 VanDerWaalsContact C-N 3.26Å; E899-R901 PolarHBondContact O-N 3.02Å; E899-C902 PolarHBondContact O-N 2.97Å; E899-C902 VanDerWaalsContact O-N 3.17Å; E899-E903 WeakPolarHBondContact O-CB 3.45Å; E899-E903 PolarHBondContact O-N 3.01Å |
| 900 | A | 93.6 | Very high | 88.5 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 31% | 0.306 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.1 | -30.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I801 R896 A904 | I801-A900 HydrophobicContact CG2-CB 4.12Å; R896-A900 VanDerWaalsContact O-CB 3.24Å; R896-A900 WeakPolarHBondContact O-CB 3.31Å; R896-A900 PolarHBondContact O-N 3.36Å; A900-A904 WeakPolarHBondContact O-CB 3.27Å; A900-A904 PolarHBondContact O-N 3.48Å |
| 901 | R | 92.1 | Very high | 89.3 | Confident | 84 Ų | 84 | 55.1 Ų | 55.1 | 32% | 0.317 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -71 | -47.3 | 173.8 | -171.3 | -165.9 | 67.9 | 98.7 | 6.1 | 110.6 | I801 L897 E898 E899 E903 A904 V905 | I801-R901 HydrophobicContact CG2-CB 3.9Å; L897-R901 VanDerWaalsContact O-CB 3.27Å; L897-R901 WeakPolarHBondContact O-CB 3.02Å; L897-R901 PolarHBondContact O-N 3.47Å; E898-R901 PolarHBondContact O-N 3.13Å; E899-R901 VanDerWaalsContact C-N 3.26Å; E899-R901 PolarHBondContact O-N 3.02Å; R901-E903 VanDerWaalsContact C-N 3.28Å; R901-E903 PolarHBondContact O-N 3.23Å; R901-A904 PolarHBondContact O-N 3.4Å; R901-V905 WeakPolarHBondContact O-CG2 3.19Å; R901-V905 PolarHBondContact O-N 2.89Å |
| 902 | C | 90.5 | Very high | 89.7 | Confident | 51 Ų | 51 | 54 Ų | 54 | 35% | 0.345 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 177.8 | -69.4 | 0 | 0 | 0 | 0 | 111.5 | E898 E899 R906 | E898-C902 PolarHBondContact O-N 2.95Å; E898-C902 PolarHBondContact O-SG 3.3Å; E899-C902 PolarHBondContact O-N 2.97Å; E899-C902 VanDerWaalsContact O-N 3.17Å; C902-R906 WeakPolarHBondContact O-CB 3.41Å; C902-R906 WeakPolarHBondContact O-CG 3.25Å; C902-R906 PolarHBondContact O-N 3.24Å |
| 903 | E | 92.2 | Very high | 89.6 | Confident | 76 Ų | 76 | 55 Ų | 55 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -51.1 | 171.6 | -176.8 | 51.2 | -127.5 | 0 | 0 | 112.2 | E899 R901 V905 R906 S907 | E899-E903 WeakPolarHBondContact O-CB 3.45Å; E899-E903 PolarHBondContact O-N 3.01Å; R901-E903 VanDerWaalsContact C-N 3.28Å; R901-E903 PolarHBondContact O-N 3.23Å; E903-V905 VanDerWaalsContact C-N 3.3Å; E903-V905 PolarHBondContact O-N 3.3Å; E903-R906 PolarHBondContact O-N 2.94Å; E903-R906 IonicContact OE1-NH1 2.93Å; E903-R906 IonicContact OE2-CZ 3.66Å; E903-R906 IonicContact OE2-NH1 2.86Å; E903-R906 PolarHBondContact OE2-NH1 3.23Å; E903-R906 IonicContact OE2-NH2 3.98Å; E903-R906 PolarHBondContact OE2-NH2 3.11Å; E903-S907 VanDerWaalsContact O-CB 3.31Å; E903-S907 WeakPolarHBondContact O-CB 3.46Å; E903-S907 PolarHBondContact O-N 3.42Å |
| 904 | A | 90.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.4 | -35.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | R797 V798 I801 A900 R901 Q908 | R797-A904 HydrophobicContact CG-CB 3.98Å; V798-A904 HydrophobicContact CG2-CB 3.69Å; V798-A904 VanDerWaalsContact CG2-O 3.26Å; V798-A904 WeakPolarHBondContact CG2-O 3.19Å; I801-A904 HydrophobicContact CD1-CB 3.73Å; A900-A904 WeakPolarHBondContact O-CB 3.27Å; A900-A904 PolarHBondContact O-N 3.48Å; R901-A904 PolarHBondContact O-N 3.4Å; A904-Q908 WeakPolarHBondContact O-CB 3.33Å; A904-Q908 PolarHBondContact O-N 2.96Å |
| 905 | V | 87.2 | Confident | 89.8 | Confident | 34 Ų | 34 | 50 Ų | 50 | 21% | 0.206 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.6 | -48.5 | 175 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | V798 R901 E903 S907 Q908 C909 | V798-V905 HydrophobicContact CB-CG2 4.49Å; V798-V905 HydrophobicContact CG1-CG2 3.68Å; V798-V905 HydrophobicContact CG2-CG2 3.93Å; R901-V905 WeakPolarHBondContact O-CG2 3.19Å; R901-V905 PolarHBondContact O-N 2.89Å; E903-V905 VanDerWaalsContact C-N 3.3Å; E903-V905 PolarHBondContact O-N 3.3Å; V905-S907 VanDerWaalsContact C-N 3.28Å; V905-S907 PolarHBondContact O-N 3.01Å; V905-Q908 WeakPolarHBondContact O-CB 3.49Å; V905-Q908 PolarHBondContact O-N 3.34Å; V905-C909 PolarHBondContact O-N 3.2Å; V905-C909 PolarHBondContact O-SG 3.31Å |
| 906 | R | 87.1 | Confident | 89.7 | Confident | 135 Ų | 135 | 47.4 Ų | 47.4 | 51% | 0.509 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -57.7 | -42.4 | 175.8 | -75.4 | -175.2 | -76 | 89.6 | -1 | 111.5 | C902 E903 C909 A910 | C902-R906 WeakPolarHBondContact O-CB 3.41Å; C902-R906 WeakPolarHBondContact O-CG 3.25Å; C902-R906 PolarHBondContact O-N 3.24Å; E903-R906 PolarHBondContact O-N 2.94Å; E903-R906 IonicContact OE1-NH1 2.93Å; E903-R906 IonicContact OE2-CZ 3.66Å; E903-R906 IonicContact OE2-NH1 2.86Å; E903-R906 PolarHBondContact OE2-NH1 3.23Å; E903-R906 IonicContact OE2-NH2 3.98Å; E903-R906 PolarHBondContact OE2-NH2 3.11Å; R906-C909 PolarHBondContact O-N 2.91Å; R906-A910 WeakPolarHBondContact O-CB 3.39Å; R906-A910 PolarHBondContact O-N 3.21Å |
| 907 | S | 88.1 | Confident | 89.4 | Confident | 30 Ų | 30 | 44.3 Ų | 44.3 | 21% | 0.21 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.2 | -39.5 | 173.2 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | R797 E903 V905 V911 | R797-S907 PolarHBondContact NH1-OG 2.97Å; E903-S907 VanDerWaalsContact O-CB 3.31Å; E903-S907 WeakPolarHBondContact O-CB 3.46Å; E903-S907 PolarHBondContact O-N 3.42Å; V905-S907 VanDerWaalsContact C-N 3.28Å; V905-S907 PolarHBondContact O-N 3.01Å; S907-V911 VanDerWaalsContact O-CG2 3.3Å; S907-V911 WeakPolarHBondContact O-CG2 3.4Å; S907-V911 PolarHBondContact O-N 2.9Å |
| 908 | Q | 88.9 | Confident | 89.3 | Confident | 16 Ų | 16 | 47.1 Ų | 47.1 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.9 | -49.3 | 174.9 | -175.2 | 173.5 | 1.2 | 0 | 0 | 111.8 | V794 V798 A904 V905 V911 I912 | V794-Q908 HydrophobicContact CG1-CB 3.81Å; V794-Q908 HydrophobicContact CG1-CG 4.31Å; V798-Q908 HydrophobicContact CG2-CB 4.21Å; A904-Q908 WeakPolarHBondContact O-CB 3.33Å; A904-Q908 PolarHBondContact O-N 2.96Å; V905-Q908 WeakPolarHBondContact O-CB 3.49Å; V905-Q908 PolarHBondContact O-N 3.34Å; Q908-V911 PolarHBondContact O-N 3.11Å; Q908-I912 HydrophobicContact CG-CD1 3.76Å; Q908-I912 WeakPolarHBondContact O-CG1 3.43Å; Q908-I912 PolarHBondContact O-N 3.29Å; Q908-I912 VanDerWaalsContact O-N 3.1Å |
| 909 | C | 84.9 | Confident | 89.3 | Confident | 19 Ų | 19 | 43.4 Ų | 43.4 | 13% | 0.128 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.2 | -39.4 | -177.1 | -60.1 | 0 | 0 | 0 | 0 | 111.6 | V905 R906 V911 I912 T913 Y986 | V905-C909 PolarHBondContact O-N 3.2Å; V905-C909 PolarHBondContact O-SG 3.31Å; R906-C909 PolarHBondContact O-N 2.91Å; C909-V911 VanDerWaalsContact C-N 3.33Å; C909-V911 PolarHBondContact O-N 3Å; C909-I912 PolarHBondContact O-N 3.05Å; C909-T913 WeakPolarHBondContact O-CB 3.48Å; C909-T913 PolarHBondContact O-N 3.01Å; C909-T913 PolarHBondContact O-OG1 3.25Å; C909-T913 VanDerWaalsContact O-OG1 3.09Å; C909-Y986 HydrophobicContact CB-CE2 4.31Å; C909-Y986 WeakPolarHBondContact SG-CE2 3.22Å; C909-Y986 PolarHBondContact SG-OH 3.13Å; C909-Y986 VanDerWaalsContact SG-OH 3.37Å |
| 910 | A | 86.9 | Confident | 89.1 | Confident | 56 Ų | 56 | 37.1 Ų | 37.1 | 46% | 0.463 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.2 | -43.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | R906 L914 | R906-A910 WeakPolarHBondContact O-CB 3.39Å; R906-A910 PolarHBondContact O-N 3.21Å; A910-L914 WeakPolarHBondContact O-CB 3.24Å; A910-L914 PolarHBondContact O-N 3.27Å |
| 911 | V | 90 | Very high | 88.9 | Confident | 7 Ų | 7 | 39.2 Ų | 39.2 | 4% | 0.042 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.4 | -42.6 | 178.8 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | P747 V751 L791 S907 Q908 C909 L915 | P747-V911 HydrophobicContact CB-CG1 4.25Å; P747-V911 HydrophobicContact CB-CG2 3.73Å; V751-V911 HydrophobicContact CG2-CG1 4.03Å; L791-V911 HydrophobicContact CD2-CG1 4.04Å; S907-V911 VanDerWaalsContact O-CG2 3.3Å; S907-V911 WeakPolarHBondContact O-CG2 3.4Å; S907-V911 PolarHBondContact O-N 2.9Å; Q908-V911 PolarHBondContact O-N 3.11Å; C909-V911 VanDerWaalsContact C-N 3.33Å; C909-V911 PolarHBondContact O-N 3Å; V911-L915 WeakPolarHBondContact O-CB 3.25Å; V911-L915 PolarHBondContact O-N 2.97Å |
| 912 | I | 87.3 | Confident | 88.8 | Confident | 5 Ų | 5 | 35.4 Ų | 35.4 | 3% | 0.026 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -68 | -45.8 | 179.1 | -65.2 | 167.6 | 0 | 0 | 0 | 110.9 | L791 Q908 C909 L915 L916 H979 Q982 L983 | L791-I912 HydrophobicContact CD2-CG1 3.87Å; Q908-I912 HydrophobicContact CG-CD1 3.76Å; Q908-I912 WeakPolarHBondContact O-CG1 3.43Å; Q908-I912 PolarHBondContact O-N 3.29Å; Q908-I912 VanDerWaalsContact O-N 3.1Å; C909-I912 PolarHBondContact O-N 3.05Å; I912-L915 WeakPolarHBondContact O-CB 3.48Å; I912-L915 PolarHBondContact O-N 3.39Å; I912-L916 HydrophobicContact CG2-CD1 4.06Å; I912-L916 HydrophobicContact CG2-CG 4.47Å; I912-L916 WeakPolarHBondContact O-CG 3.48Å; I912-L916 PolarHBondContact O-N 3.28Å; I912-H979 HydrophobicContact CG2-CB 4.39Å; I912-Q982 HydrophobicContact CD1-CB 4.29Å; I912-Q982 VanDerWaalsContact CD1-OE1 3.25Å; I912-L983 HydrophobicContact CG2-CD2 3.71Å |
| 913 | T | 84.3 | Confident | 88.8 | Confident | 56 Ų | 56 | 33 Ų | 33 | 34% | 0.344 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -67 | -37.1 | 178.5 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | C909 L916 H917 | C909-T913 WeakPolarHBondContact O-CB 3.48Å; C909-T913 PolarHBondContact O-N 3.01Å; C909-T913 PolarHBondContact O-OG1 3.25Å; C909-T913 VanDerWaalsContact O-OG1 3.09Å; T913-L916 PolarHBondContact O-N 2.74Å; T913-H917 WeakPolarHBondContact O-CB 3.45Å; T913-H917 PolarHBondContact O-N 3.35Å |
| 914 | L | 89.7 | Confident | 88.7 | Confident | 29 Ų | 29 | 30.1 Ų | 30.1 | 15% | 0.152 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 172.6 | 178.1 | 63.2 | 0 | 0 | 0 | 111.7 | E748 V751 A910 R918 | E748-L914 HydrophobicContact CG-CD2 3.54Å; V751-L914 HydrophobicContact CB-CD2 4.14Å; V751-L914 HydrophobicContact CG1-CD2 3.98Å; V751-L914 HydrophobicContact CG1-CG 3.83Å; A910-L914 WeakPolarHBondContact O-CB 3.24Å; A910-L914 PolarHBondContact O-N 3.27Å; L914-R918 HydrophobicContact CD1-CG 4.1Å; L914-R918 VanDerWaalsContact O-CG 3.24Å; L914-R918 WeakPolarHBondContact O-CG 3.27Å; L914-R918 PolarHBondContact O-N 2.87Å; L914-R918 VanDerWaalsContact O-N 3.07Å |
| 915 | L | 90.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.3 | -51.3 | 176.2 | 170 | 60.6 | 0 | 0 | 0 | 111.5 | V751 Y755 L787 L791 V911 I912 H917 R918 H919 V975 | V751-L915 HydrophobicContact CG1-CB 4.2Å; Y755-L915 HydrophobicContact CE2-CD1 3.53Å; Y755-L915 VanDerWaalsContact OH-CD1 3.25Å; Y755-L915 WeakPolarHBondContact OH-CD1 3.44Å; L787-L915 HydrophobicContact CD1-CD1 4.23Å; L787-L915 HydrophobicContact CD2-CD1 4.44Å; L791-L915 HydrophobicContact CD1-CD2 3.5Å; L791-L915 VanDerWaalsContact CD1-CD2 3.5Å; L791-L915 HydrophobicContact CD2-CD2 3.96Å; L791-L915 HydrophobicContact CG-CD2 4.27Å; V911-L915 WeakPolarHBondContact O-CB 3.25Å; V911-L915 PolarHBondContact O-N 2.97Å; I912-L915 WeakPolarHBondContact O-CB 3.48Å; I912-L915 PolarHBondContact O-N 3.39Å; L915-H917 PolarHBondContact O-N 3.46Å; L915-R918 PolarHBondContact O-N 3Å; L915-H919 WeakPolarHBondContact O-CB 3.45Å; L915-H919 PolarHBondContact O-N 2.91Å; L915-V975 HydrophobicContact CD2-CG1 3.75Å; L915-V975 HydrophobicContact CD2-CG2 3.99Å; L915-V975 HydrophobicContact CG-CG1 4.11Å; L915-V975 HydrophobicContact CG-CG2 4.31Å |
| 916 | L | 88.3 | Confident | 88.5 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -60.3 | -45.6 | 177.9 | -75 | 174.7 | 0 | 0 | 0 | 111.6 | I912 T913 R918 H919 A920 L972 V975 V976 L983 F1005 | I912-L916 HydrophobicContact CG2-CD1 4.06Å; I912-L916 HydrophobicContact CG2-CG 4.47Å; I912-L916 WeakPolarHBondContact O-CG 3.48Å; I912-L916 PolarHBondContact O-N 3.28Å; T913-L916 PolarHBondContact O-N 2.74Å; L916-R918 PolarHBondContact O-N 3.03Å; L916-H919 PolarHBondContact O-N 3.22Å; L916-A920 WeakPolarHBondContact O-CB 3.09Å; L916-A920 PolarHBondContact O-N 2.91Å; L916-L972 HydrophobicContact CD2-CD1 4.29Å; L916-V975 HydrophobicContact CD2-CB 4.12Å; L916-V975 HydrophobicContact CD2-CG1 3.58Å; L916-V975 HydrophobicContact CG-CG1 4.07Å; L916-V976 HydrophobicContact CD2-CG2 3.94Å; L916-L983 HydrophobicContact CD1-CD1 4.05Å; L916-L983 HydrophobicContact CD1-CD2 3.56Å; L916-L983 HydrophobicContact CD1-CG 4.48Å; L916-F1005 HydrophobicContact CD1-CE1 4.34Å; L916-F1005 HydrophobicContact CD2-CE1 4.47Å; L916-F1005 HydrophobicContact CD2-CZ 4.14Å |
| 917 | H | 87 | Confident | 88.6 | Confident | 62 Ų | 62 | 24.3 Ų | 24.3 | 29% | 0.287 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -56.9 | -50.2 | 178.3 | 173.5 | 102.3 | 0 | 0 | 0 | 112.1 | T913 L915 R921 F993 | T913-H917 WeakPolarHBondContact O-CB 3.45Å; T913-H917 PolarHBondContact O-N 3.35Å; L915-H917 PolarHBondContact O-N 3.46Å; H917-R921 VanDerWaalsContact O-CB 3.31Å; H917-R921 WeakPolarHBondContact O-CB 3.44Å; H917-R921 PolarHBondContact O-N 3.24Å; H917-F993 HydrophobicContact CB-CE1 4.12Å; H917-F993 HydrophobicContact CB-CE2 4.45Å; H917-F993 HydrophobicContact CB-CZ 3.79Å; H917-F993 AromaticContact CE1-CE2 3.69Å; H917-F993 AromaticContact CG-CE2 3.99Å; H917-F993 AromaticContact CG-CZ 3.69Å; H917-F993 AromaticContact ND1-CD2 3.95Å; H917-F993 AromaticContact ND1-CE2 3.02Å; H917-F993 WeakPolarHBondContact ND1-CE2 3.12Å; H917-F993 AromaticContact ND1-CZ 3.18Å; H917-F993 WeakPolarHBondContact ND1-CZ 3.46Å |
| 918 | R | 90.6 | Very high | 88.5 | Confident | 75 Ų | 75 | 25.4 Ų | 25.4 | 28% | 0.283 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67.3 | -41.2 | -177.6 | -65.6 | -71.3 | 167.6 | 178.3 | -3.8 | 111.7 | Y755 L914 L915 L916 L922 | Y755-R918 HydrophobicContact CD1-CB 3.74Å; Y755-R918 HydrophobicContact CD2-CB 3.76Å; Y755-R918 HydrophobicContact CD2-CG 4.36Å; Y755-R918 HydrophobicContact CE1-CB 4.2Å; Y755-R918 HydrophobicContact CE2-CB 4.25Å; Y755-R918 HydrophobicContact CG-CB 3.52Å; Y755-R918 HydrophobicContact CG-CG 4.24Å; L914-R918 HydrophobicContact CD1-CG 4.1Å; L914-R918 VanDerWaalsContact O-CG 3.24Å; L914-R918 WeakPolarHBondContact O-CG 3.27Å; L914-R918 PolarHBondContact O-N 2.87Å; L914-R918 VanDerWaalsContact O-N 3.07Å; L915-R918 PolarHBondContact O-N 3Å; L916-R918 PolarHBondContact O-N 3.03Å; R918-L922 WeakPolarHBondContact O-CB 3.15Å; R918-L922 PolarHBondContact O-N 3.27Å |
| 919 | H | 91.4 | Very high | 88.2 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -75 | -38.3 | -178.1 | -160.8 | 70.3 | 0 | 0 | 0 | 113.1 | Y755 W784 L915 L916 L922 T923 L968 L972 | Y755-H919 HydrophobicContact CE1-CB 3.94Å; Y755-H919 AromaticContact CE1-ND1 3.62Å; Y755-H919 AromaticContact CZ-ND1 3.79Å; Y755-H919 WeakPolarHBondContact OH-CB 3.19Å; Y755-H919 PolarHBondContact OH-ND1 3.1Å; Y755-H919 VanDerWaalsContact OH-ND1 3.09Å; W784-H919 AromaticContact CH2-CE1 3.93Å; W784-H919 AromaticContact CH2-ND1 3.83Å; W784-H919 AromaticContact CZ2-CE1 3.8Å; W784-H919 AromaticContact CZ2-ND1 3.94Å; L915-H919 WeakPolarHBondContact O-CB 3.45Å; L915-H919 PolarHBondContact O-N 2.91Å; L916-H919 PolarHBondContact O-N 3.22Å; H919-L922 PolarHBondContact O-N 2.87Å; H919-T923 WeakPolarHBondContact O-CB 3.36Å; H919-T923 PolarHBondContact O-N 3.17Å; H919-T923 PolarHBondContact O-OG1 3.36Å; H919-L968 PolarHBondContact NE2-O 3.22Å; H919-L972 VanDerWaalsContact CD2-CA 3.49Å; H919-L972 WeakPolarHBondContact CD2-CA 3.02Å; H919-L972 PolarHBondContact NE2-N 2.98Å |
| 920 | A | 89.9 | Confident | 88 | Confident | 5 Ų | 5 | 30.6 Ų | 30.6 | 4% | 0.041 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.3 | -46 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | L916 T923 A924 L972 V1001 | L916-A920 WeakPolarHBondContact O-CB 3.09Å; L916-A920 PolarHBondContact O-N 2.91Å; A920-T923 PolarHBondContact O-N 2.81Å; A920-A924 WeakPolarHBondContact O-CB 3.24Å; A920-A924 PolarHBondContact O-N 2.84Å; A920-L972 HydrophobicContact CB-CD1 4.39Å; A920-V1001 HydrophobicContact CB-CG1 3.77Å; A920-V1001 WeakPolarHBondContact O-CG2 3.49Å |
| 921 | R | 89.8 | Confident | 87.6 | Confident | 81 Ų | 81 | 31.4 Ų | 31.4 | 31% | 0.306 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -58.5 | -51.9 | 174.9 | 178.5 | 175.8 | 172.9 | 151.1 | 6.7 | 111.9 | H917 T923 A924 E925 S943 | H917-R921 VanDerWaalsContact O-CB 3.31Å; H917-R921 WeakPolarHBondContact O-CB 3.44Å; H917-R921 PolarHBondContact O-N 3.24Å; R921-T923 VanDerWaalsContact C-N 3.27Å; R921-T923 PolarHBondContact O-N 2.94Å; R921-A924 PolarHBondContact O-N 2.9Å; R921-A924 VanDerWaalsContact O-N 3.12Å; R921-E925 HydrophobicContact CG-CG 4.31Å; R921-E925 IonicContact CZ-OE1 3.72Å; R921-E925 IonicContact NE-OE1 2.75Å; R921-E925 PolarHBondContact NE-OE1 3.48Å; R921-E925 IonicContact NE-OE2 3.93Å; R921-E925 IonicContact NH2-OE1 3.7Å; R921-E925 PolarHBondContact NH2-OE1 3.47Å; R921-E925 WeakPolarHBondContact O-CG 3.3Å; R921-E925 PolarHBondContact O-N 3.3Å; R921-S943 PolarHBondContact NH2-OG 3.1Å |
| 922 | L | 89.5 | Confident | 86.5 | Confident | 5 Ų | 5 | 32.6 Ų | 32.6 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.1 | -38.6 | 179.6 | -177.9 | 63 | 0 | 0 | 0 | 112.3 | Y755 T760 I778 R918 H919 L926 F946 L968 | Y755-L922 HydrophobicContact CD1-CD2 4.35Å; Y755-L922 HydrophobicContact CE1-CD2 4.31Å; T760-L922 HydrophobicContact CG2-CD1 4.38Å; T760-L922 HydrophobicContact CG2-CD2 3.87Å; I778-L922 HydrophobicContact CG2-CD2 4.19Å; R918-L922 WeakPolarHBondContact O-CB 3.15Å; R918-L922 PolarHBondContact O-N 3.27Å; H919-L922 PolarHBondContact O-N 2.87Å; L922-L926 PolarHBondContact O-N 3.24Å; L922-F946 HydrophobicContact CD1-CE2 4.2Å; L922-L968 HydrophobicContact CD2-CD2 3.72Å; L922-L968 HydrophobicContact CG-CD1 4.41Å; L922-L968 HydrophobicContact CG-CD2 4.15Å |
| 923 | T | 90.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -68.6 | -41.1 | 176.1 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | H919 A920 R921 A927 M965 V1001 | H919-T923 WeakPolarHBondContact O-CB 3.36Å; H919-T923 PolarHBondContact O-N 3.17Å; H919-T923 PolarHBondContact O-OG1 3.36Å; A920-T923 PolarHBondContact O-N 2.81Å; R921-T923 VanDerWaalsContact C-N 3.27Å; R921-T923 PolarHBondContact O-N 2.94Å; T923-A927 VanDerWaalsContact O-CB 3.24Å; T923-A927 WeakPolarHBondContact O-CB 3.34Å; T923-A927 PolarHBondContact O-N 3.44Å; T923-M965 HydrophobicContact CG2-SD 4.18Å; T923-V1001 HydrophobicContact CG2-CG2 4.44Å |
| 924 | A | 89.9 | Confident | 82.3 | Confident | 16 Ų | 16 | 41.3 Ų | 41.3 | 13% | 0.132 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.1 | -39.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A920 R921 A927 S928 H998 V1001 | A920-A924 WeakPolarHBondContact O-CB 3.24Å; A920-A924 PolarHBondContact O-N 2.84Å; R921-A924 PolarHBondContact O-N 2.9Å; R921-A924 VanDerWaalsContact O-N 3.12Å; A924-A927 PolarHBondContact O-N 2.98Å; A924-S928 WeakPolarHBondContact O-CB 3.35Å; A924-S928 PolarHBondContact O-N 2.98Å; A924-S928 PolarHBondContact O-OG 2.69Å; A924-H998 HydrophobicContact CB-CB 3.62Å; A924-V1001 HydrophobicContact CB-CG2 4.08Å |
| 925 | E | 86.8 | Confident | 79.6 | Confident | 41 Ų | 41 | 48.1 Ų | 48.1 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63 | -50.7 | 177.4 | -74.1 | 173 | 159.9 | 0 | 0 | 110.7 | R921 A927 S928 E929 S943 F945 F946 | R921-E925 HydrophobicContact CG-CG 4.31Å; R921-E925 IonicContact CZ-OE1 3.72Å; R921-E925 IonicContact NE-OE1 2.75Å; R921-E925 PolarHBondContact NE-OE1 3.48Å; R921-E925 IonicContact NE-OE2 3.93Å; R921-E925 IonicContact NH2-OE1 3.7Å; R921-E925 PolarHBondContact NH2-OE1 3.47Å; R921-E925 WeakPolarHBondContact O-CG 3.3Å; R921-E925 PolarHBondContact O-N 3.3Å; E925-A927 PolarHBondContact O-N 3.42Å; E925-S928 WeakPolarHBondContact O-CB 3.46Å; E925-S928 PolarHBondContact O-N 3.47Å; E925-E929 PolarHBondContact O-N 3.27Å; E925-E929 VanDerWaalsContact O-N 3.08Å; E925-S943 PolarHBondContact OE1-OG 3.15Å; E925-F945 VanDerWaalsContact OE2-CB 3.28Å; E925-F945 WeakPolarHBondContact OE2-CB 3.3Å; E925-F946 HydrophobicContact CB-CD2 4.34Å; E925-F946 HydrophobicContact CB-CE2 4.04Å |
| 926 | L | 87.4 | Confident | 76.7 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.8 | -38 | 177.1 | -173.3 | 66.3 | 0 | 0 | 0 | 112.7 | L762 L922 S928 E929 M930 F946 L961 I964 M965 L968 | L762-L926 HydrophobicContact CD1-CD1 4.02Å; L922-L926 PolarHBondContact O-N 3.24Å; L926-S928 VanDerWaalsContact C-N 3.28Å; L926-S928 PolarHBondContact O-N 2.79Å; L926-E929 PolarHBondContact O-N 2.81Å; L926-M930 HydrophobicContact CG-CG 4.45Å; L926-M930 HydrophobicContact CG-SD 4.24Å; L926-M930 WeakPolarHBondContact O-CG 3.4Å; L926-M930 PolarHBondContact O-N 2.93Å; L926-F946 HydrophobicContact CD1-CZ 4.37Å; L926-L961 HydrophobicContact CD1-CD2 4.19Å; L926-I964 HydrophobicContact CD2-CB 4.49Å; L926-I964 HydrophobicContact CD2-CG2 3.74Å; L926-M965 HydrophobicContact CB-CE 3.84Å; L926-M965 HydrophobicContact CD2-CB 4.28Å; L926-M965 HydrophobicContact CD2-CE 3.9Å; L926-M965 HydrophobicContact CG-CE 3.79Å; L926-L968 HydrophobicContact CD2-CD1 3.6Å |
| 927 | A | 88.1 | Confident | 74 | Confident | 5 Ų | 5 | 64 Ų | 64 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.2 | -33.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | T923 A924 E925 S931 M965 H998 | T923-A927 VanDerWaalsContact O-CB 3.24Å; T923-A927 WeakPolarHBondContact O-CB 3.34Å; T923-A927 PolarHBondContact O-N 3.44Å; A924-A927 PolarHBondContact O-N 2.98Å; E925-A927 PolarHBondContact O-N 3.42Å; A927-S931 WeakPolarHBondContact O-CB 3.43Å; A927-S931 PolarHBondContact O-N 3.38Å; A927-S931 VanDerWaalsContact O-N 3.09Å; A927-S931 PolarHBondContact O-OG 3.17Å; A927-M965 VanDerWaalsContact CA-CE 3.48Å; A927-M965 HydrophobicContact CB-CE 3.61Å; A927-M965 VanDerWaalsContact N-CE 3.29Å; A927-H998 VanDerWaalsContact CB-CE1 3.41Å; A927-H998 WeakPolarHBondContact CB-CE1 3.19Å; A927-H998 WeakPolarHBondContact CB-ND1 3.29Å |
| 928 | S | 86.7 | Confident | 71.3 | Confident | 52 Ų | 52 | 66.5 Ų | 66.5 | 36% | 0.364 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -68.3 | -41.5 | 173.2 | -54.8 | 0 | 0 | 0 | 0 | 111.4 | A924 E925 L926 S931 G932 | A924-S928 WeakPolarHBondContact O-CB 3.35Å; A924-S928 PolarHBondContact O-N 2.98Å; A924-S928 PolarHBondContact O-OG 2.69Å; E925-S928 WeakPolarHBondContact O-CB 3.46Å; E925-S928 PolarHBondContact O-N 3.47Å; L926-S928 VanDerWaalsContact C-N 3.28Å; L926-S928 PolarHBondContact O-N 2.79Å; S928-S931 PolarHBondContact O-N 3.04Å; S928-G932 PolarHBondContact O-N 3.02Å |
| 929 | E | 81.1 | Confident | 68.4 | Low | 73 Ų | 73 | 71.7 Ų | 71.7 | 34% | 0.341 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -63.1 | -44 | 175.8 | -167.2 | -168 | 164.5 | 0 | 0 | 112.2 | E925 L926 S931 G932 | E925-E929 PolarHBondContact O-N 3.27Å; E925-E929 VanDerWaalsContact O-N 3.08Å; L926-E929 PolarHBondContact O-N 2.81Å; E929-S931 VanDerWaalsContact C-N 3.29Å; E929-S931 PolarHBondContact O-N 3.4Å; E929-G932 PolarHBondContact O-N 3.41Å |
| 930 | M | 82.6 | Confident | 65.5 | Low | 71 Ų | 71 | 78.2 Ų | 78.2 | 35% | 0.35 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -67.2 | -27.6 | 177.7 | -71 | -178.4 | 71.4 | 0 | 0 | 113.4 | L926 G932 L961 R962 M965 | L926-M930 HydrophobicContact CG-CG 4.45Å; L926-M930 HydrophobicContact CG-SD 4.24Å; L926-M930 WeakPolarHBondContact O-CG 3.4Å; L926-M930 PolarHBondContact O-N 2.93Å; M930-G932 VanDerWaalsContact C-N 3.3Å; M930-L961 HydrophobicContact CE-CB 4.37Å; M930-L961 HydrophobicContact CG-CB 4.48Å; M930-L961 HydrophobicContact SD-CB 4.36Å; M930-R962 HydrophobicContact CE-CB 4.38Å; M930-R962 HydrophobicContact CE-CG 3.66Å; M930-M965 HydrophobicContact CE-CB 4.29Å; M930-M965 HydrophobicContact SD-CB 3.66Å; M930-M965 HydrophobicContact SD-CE 3.98Å; M930-M965 HydrophobicContact SD-CG 4.06Å |
| 931 | S | 77.5 | Confident | 62.8 | Low | 73 Ų | 73 | 84.6 Ų | 84.6 | 51% | 0.51 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -8.2 | 179.5 | -58.8 | 0 | 0 | 0 | 0 | 113.8 | A927 S928 E929 | A927-S931 WeakPolarHBondContact O-CB 3.43Å; A927-S931 PolarHBondContact O-N 3.38Å; A927-S931 VanDerWaalsContact O-N 3.09Å; A927-S931 PolarHBondContact O-OG 3.17Å; S928-S931 PolarHBondContact O-N 3.04Å; E929-S931 VanDerWaalsContact C-N 3.29Å; E929-S931 PolarHBondContact O-N 3.4Å |
| 932 | G | 66 | Low | 60.2 | Low | 33 Ų | 33 | 87.2 Ų | 87.2 | 34% | 0.34 | 49% | 0.492 | S | S | . | . | trans | 73.2 | 172.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S928 E929 M930 S934 | S928-G932 PolarHBondContact O-N 3.02Å; E929-G932 PolarHBondContact O-N 3.41Å; M930-G932 VanDerWaalsContact C-N 3.3Å; G932-S934 VanDerWaalsContact C-N 3.33Å; G932-S934 PolarHBondContact O-N 2.75Å | ||
| 933 | P | 46.1 | Very low | 57.7 | Low | 144 Ų | 144 | 88.8 Ų | 88.8 | 94% | 0.935 | 50% | 0.504 | S | S | * | . | trans | -72.9 | 80.4 | -170.9 | 29.9 | -36 | 0 | 0 | 0 | 112.9 | Q935 | P933-Q935 PolarHBondContact O-N 2.68Š| ||
| 934 | S | 38.6 | Very low | 55.4 | Low | 99 Ų | 99 | 91.9 Ų | 91.9 | 69% | 0.692 | 52% | 0.524 | S | S | * | . | trans | -91.5 | 99.2 | -179.7 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | G932 | G932-S934 VanDerWaalsContact C-N 3.33Å; G932-S934 PolarHBondContact O-N 2.75Å | ||
| 935 | Q | 33.6 | Very low | 53.3 | Low | 172 Ų | 172 | 91.8 Ų | 91.8 | 80% | 0.804 | 52% | 0.52 | S | S | * | . | S | Bend | trans | 47.3 | 103 | 162.9 | -58.8 | -170.6 | 11.2 | 0 | 0 | 119.1 | P933 H937 | P933-Q935 PolarHBondContact O-N 2.68Å; Q935-H937 PolarHBondContact O-N 3.44Å; Q935-H937 VanDerWaalsContact O-N 3.14Å |
| 936 | N | 28.6 | Very low | 51.3 | Low | 170 Ų | 170 | 92.8 Ų | 92.8 | 91% | 0.909 | 52% | 0.524 | S | S | * | . | trans | 50.6 | 43.7 | 140.4 | -66.5 | -0.2 | 0 | 0 | 0 | 119.6 | ||||
| 937 | H | 32.4 | Very low | 48.7 | Very low | 165 Ų | 165 | 99.8 Ų | 99.8 | 76% | 0.764 | 56% | 0.56 | S | S | * | * | trans | -102.5 | 130.4 | 152.6 | -76.9 | -72.9 | 0 | 0 | 0 | 110.7 | Q935 F939 | Q935-H937 PolarHBondContact O-N 3.44Å; Q935-H937 VanDerWaalsContact O-N 3.14Å; H937-F939 PolarHBondContact O-N 3.09Å; H937-F939 VanDerWaalsContact O-N 3.15Å | ||
| 938 | S | 28.9 | Very low | 46.4 | Very low | 114 Ų | 114 | 103.9 Ų | 103.9 | 80% | 0.797 | 58% | 0.579 | S | S | * | * | trans | -73.7 | 102.6 | 176.7 | 54.8 | 0 | 0 | 0 | 0 | 109.9 | N940 | S938-N940 PolarHBondContact O-N 2.7Å; S938-N940 VanDerWaalsContact O-N 3.13Å | ||
| 939 | F | 31.2 | Very low | 43.8 | Very low | 184 Ų | 184 | 108.7 Ų | 108.7 | 81% | 0.807 | 60% | 0.596 | S | S | * | * | trans | -62.3 | 112.5 | 171.2 | -71.4 | -89.9 | 0 | 0 | 0 | 109.8 | H937 T941 | H937-F939 PolarHBondContact O-N 3.09Å; H937-F939 VanDerWaalsContact O-N 3.15Å; F939-T941 PolarHBondContact O-N 3.27Å | ||
| 940 | N | 29 | Very low | 41.4 | Very low | 139 Ų | 139 | 111.8 Ų | 111.8 | 74% | 0.743 | 62% | 0.622 | S | S | * | * | trans | -61.7 | 128.5 | 161.1 | -87.1 | -5.9 | 0 | 0 | 0 | 107.8 | S938 D942 | S938-N940 PolarHBondContact O-N 2.7Å; S938-N940 VanDerWaalsContact O-N 3.13Å; N940-D942 PolarHBondContact O-N 3.17Å | ||
| 941 | T | 33.6 | Very low | 39.2 | Very low | 138 Ų | 138 | 113.5 Ų | 113.5 | 85% | 0.847 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -70.8 | 3.4 | -173.2 | 43.8 | 0 | 0 | 0 | 0 | 114.7 | F939 S943 | F939-T941 PolarHBondContact O-N 3.27Å; T941-S943 PolarHBondContact O-N 3.12Å |
| 942 | D | 34.9 | Very low | 37.3 | Very low | 136 Ų | 136 | 116.2 Ų | 116.2 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | trans | -96.8 | 52.8 | -178 | -58.3 | -35 | 0 | 0 | 0 | 112.2 | N940 P944 | N940-D942 PolarHBondContact O-N 3.17Å; D942-P944 VanDerWaalsContact O-CD 3.31Å; D942-P944 WeakPolarHBondContact O-CD 3.27Å | ||
| 943 | S | 37.2 | Very low | 36 | Very low | 39 Ų | 39 | 120.2 Ų | 120.2 | 27% | 0.273 | 66% | 0.661 | S | S | . | * | trans | -98.7 | 103.7 | 168.8 | -167.3 | 0 | 0 | 0 | 0 | 111.4 | R921 E925 T941 F945 | R921-S943 PolarHBondContact NH2-OG 3.1Å; E925-S943 PolarHBondContact OE1-OG 3.15Å; T941-S943 PolarHBondContact O-N 3.12Å; S943-F945 PolarHBondContact O-N 3.21Å | ||
| 944 | P | 42.8 | Very low | 36.3 | Very low | 65 Ų | 65 | 120 Ų | 120 | 42% | 0.422 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | 7.2 | -176.2 | 33.7 | -37.2 | 0 | 0 | 0 | 114.1 | D942 | D942-P944 VanDerWaalsContact O-CD 3.31Å; D942-P944 WeakPolarHBondContact O-CD 3.27Å |
| 945 | F | 46.5 | Very low | 37.3 | Very low | 13 Ų | 13 | 119.3 Ų | 119.3 | 6% | 0.057 | 64% | 0.641 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -100.3 | -19.3 | -174.9 | -79.8 | -82.2 | 0 | 0 | 0 | 114.5 | Y755 T760 E925 S943 | Y755-F945 WeakPolarHBondContact O-CE1 3.31Å; T760-F945 HydrophobicContact CG2-CD1 4.15Å; T760-F945 HydrophobicContact CG2-CE1 4.16Å; E925-F945 VanDerWaalsContact OE2-CB 3.28Å; E925-F945 WeakPolarHBondContact OE2-CB 3.3Å; S943-F945 PolarHBondContact O-N 3.21Å |
| 946 | F | 44.6 | Very low | 39.1 | Very low | 63 Ų | 63 | 112.5 Ų | 112.5 | 28% | 0.276 | 61% | 0.609 | S | S | . | * | trans | -134.4 | 82.4 | 176.8 | -80.4 | -94.3 | 0 | 0 | 0 | 110.1 | L762 L922 E925 L926 H948 | L762-F946 HydrophobicContact CD1-CE1 3.68Å; L762-F946 HydrophobicContact CD1-CZ 4.21Å; L762-F946 HydrophobicContact CG-CE1 3.91Å; L762-F946 HydrophobicContact CG-CZ 4.4Å; L922-F946 HydrophobicContact CD1-CE2 4.2Å; E925-F946 HydrophobicContact CB-CD2 4.34Å; E925-F946 HydrophobicContact CB-CE2 4.04Å; L926-F946 HydrophobicContact CD1-CZ 4.37Å; F946-H948 PolarHBondContact O-N 3.37Å | ||
| 947 | L | 33.4 | Very low | 41.6 | Very low | 147 Ų | 147 | 107.4 Ų | 107.4 | 77% | 0.77 | 59% | 0.587 | S | S | * | * | trans | -89.3 | 83.7 | 175.2 | -70.6 | 178.3 | 0 | 0 | 0 | 111.1 | ||||
| 948 | H | 39.5 | Very low | 44 | Very low | 91 Ų | 91 | 105 Ų | 105 | 42% | 0.421 | 58% | 0.58 | S | S | . | * | trans | -114.2 | 133.7 | 155.6 | -88.4 | -69.6 | 0 | 0 | 0 | 109.3 | T763 F946 Q952 | T763-H948 WeakPolarHBondContact CG2-NE2 3.49Å; F946-H948 PolarHBondContact O-N 3.37Å; H948-Q952 PolarHBondContact CE1-OE1 3.36Å; H948-Q952 PolarHBondContact ND1-OE1 3.3Å | ||
| 949 | E | 32.1 | Very low | 46.8 | Very low | 154 Ų | 154 | 103.4 Ų | 103.4 | 72% | 0.72 | 56% | 0.56 | S | S | * | * | trans | -60.1 | 147.8 | 155.8 | -69.9 | -172.8 | 119.1 | 0 | 0 | 109.1 | T951 | E949-T951 PolarHBondContact O-N 3.38Š| ||
| 950 | P | 31.1 | Very low | 49.4 | Very low | 138 Ų | 138 | 94.9 Ų | 94.9 | 90% | 0.896 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | 33 | -172 | 32.3 | -38.2 | 0 | 0 | 0 | 114.1 | ||
| 951 | T | 34.7 | Very low | 52.2 | Low | 107 Ų | 107 | 88.7 Ų | 88.7 | 66% | 0.656 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.3 | -7.8 | -166.3 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | E949 | E949-T951 PolarHBondContact O-N 3.38Š|
| 952 | Q | 37.9 | Very low | 55 | Low | 130 Ų | 130 | 89.2 Ų | 89.2 | 61% | 0.607 | 48% | 0.477 | S | S | * | . | S | Bend | trans | -100.8 | 138.5 | 174 | -68.4 | -172.4 | -5.4 | 0 | 0 | 111.4 | H948 | H948-Q952 PolarHBondContact CE1-OE1 3.36Å; H948-Q952 PolarHBondContact ND1-OE1 3.3Å |
| 953 | P | 40 | Very low | 57.7 | Low | 117 Ų | 117 | 83.9 Ų | 83.9 | 76% | 0.76 | 45% | 0.449 | S | S | * | . | trans | -71.2 | 154.7 | 179.8 | 30.9 | -35.5 | 0 | 0 | 0 | 111.6 | S955 | P953-S955 PolarHBondContact O-N 2.69Š| ||
| 954 | K | 51.1 | Low | 60.3 | Low | 140 Ų | 140 | 82 Ų | 82 | 61% | 0.609 | 44% | 0.436 | S | S | * | . | trans | -51.1 | 112.3 | 171.5 | -72.5 | -171.3 | 167.4 | -164.3 | 0 | 110 | ||||
| 955 | S | 59.3 | Low | 62.7 | Low | 84 Ų | 84 | 79.9 Ų | 79.9 | 59% | 0.587 | 42% | 0.42 | S | S | * | . | trans | -83.9 | -18.4 | -174.5 | 53.3 | 0 | 0 | 0 | 0 | 113.9 | P953 | P953-S955 PolarHBondContact O-N 2.69Š| ||
| 956 | L | 71.7 | Confident | 65 | Low | 28 Ų | 28 | 81.3 Ų | 81.3 | 15% | 0.147 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -104 | 148.9 | -179.5 | -63.8 | -176.3 | 0 | 0 | 0 | 111.9 | L762 A774 A960 L961 I964 | L762-L956 HydrophobicContact CB-CD1 3.89Å; L762-L956 HydrophobicContact CD1-CD1 4.03Å; L762-L956 HydrophobicContact CG-CD1 4.4Å; A774-L956 HydrophobicContact CB-CD2 3.68Å; L956-A960 HydrophobicContact CB-CB 4.31Å; L956-A960 HydrophobicContact CD2-CB 4.45Å; L956-L961 HydrophobicContact CB-CD2 4.06Å; L956-L961 HydrophobicContact CB-CG 4.08Å; L956-L961 HydrophobicContact CD1-CD2 3.87Å; L956-I964 HydrophobicContact CD1-CD1 3.72Å |
| 957 | S | 81.3 | Confident | 67.3 | Low | 64 Ų | 64 | 78.3 Ų | 78.3 | 45% | 0.448 | 41% | 0.413 | S | S | . | . | trans | -78.3 | 158.3 | 172.5 | 70 | 0 | 0 | 0 | 0 | 112 | E959 A960 L961 | S957-E959 PolarHBondContact O-N 3.35Å; S957-E959 VanDerWaalsContact O-N 3.16Å; S957-A960 PolarHBondContact O-N 2.83Å; S957-A960 PolarHBondContact OG-N 3.4Å; S957-A960 VanDerWaalsContact OG-N 3.16Å; S957-L961 WeakPolarHBondContact O-CG 3.37Å; S957-L961 PolarHBondContact O-N 2.97Å | ||
| 958 | D | 84.1 | Confident | 70.2 | Confident | 114 Ų | 114 | 71.5 Ų | 71.5 | 61% | 0.61 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.5 | -18.4 | 174.3 | -61.8 | -37.3 | 0 | 0 | 0 | 112.9 | R962 | D958-R962 WeakPolarHBondContact O-CB 3.45Å; D958-R962 VanDerWaalsContact O-CG 3.24Å; D958-R962 WeakPolarHBondContact O-CG 3.34Å; D958-R962 PolarHBondContact O-N 3.26Å; D958-R962 PolarHBondContact O-NE 2.88Å |
| 959 | E | 87.7 | Confident | 72.7 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 37% | 0.374 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -72.8 | -50.3 | 168.1 | -172.6 | -179 | 151.9 | 0 | 0 | 111.5 | D462 S957 L961 R962 N963 | D462-E959 HydrophobicContact CB-CG 4.13Å; D462-E959 VanDerWaalsContact CB-OE1 3.27Å; D462-E959 WeakPolarHBondContact CB-OE1 3.45Å; S957-E959 PolarHBondContact O-N 3.35Å; S957-E959 VanDerWaalsContact O-N 3.16Å; E959-L961 VanDerWaalsContact C-N 3.33Å; E959-L961 PolarHBondContact O-N 2.86Å; E959-R962 PolarHBondContact O-N 3.35Å; E959-N963 PolarHBondContact O-N 3.03Å |
| 960 | A | 86 | Confident | 75.7 | Confident | 6 Ų | 6 | 63.1 Ų | 63.1 | 5% | 0.05 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -59.2 | -44.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | D462 L956 S957 R962 N963 I964 | D462-A960 WeakPolarHBondContact OD1-CB 3.35Å; L956-A960 HydrophobicContact CB-CB 4.31Å; L956-A960 HydrophobicContact CD2-CB 4.45Å; S957-A960 PolarHBondContact O-N 2.83Å; S957-A960 PolarHBondContact OG-N 3.4Å; S957-A960 VanDerWaalsContact OG-N 3.16Å; A960-R962 PolarHBondContact O-N 2.73Å; A960-N963 PolarHBondContact O-N 3.42Å; A960-I964 WeakPolarHBondContact O-CB 3.3Å; A960-I964 WeakPolarHBondContact O-CD1 3.45Å; A960-I964 WeakPolarHBondContact O-CG1 3.31Å; A960-I964 PolarHBondContact O-N 3.45Å |
| 961 | L | 87.4 | Confident | 78.6 | Confident | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 176.2 | -66.7 | 174 | 0 | 0 | 0 | 112.2 | L762 L926 M930 L956 S957 E959 I964 M965 | L762-L961 HydrophobicContact CD1-CD2 4.1Å; L926-L961 HydrophobicContact CD1-CD2 4.19Å; M930-L961 HydrophobicContact CE-CB 4.37Å; M930-L961 HydrophobicContact CG-CB 4.48Å; M930-L961 HydrophobicContact SD-CB 4.36Å; L956-L961 HydrophobicContact CB-CD2 4.06Å; L956-L961 HydrophobicContact CB-CG 4.08Å; L956-L961 HydrophobicContact CD1-CD2 3.87Å; S957-L961 WeakPolarHBondContact O-CG 3.37Å; S957-L961 PolarHBondContact O-N 2.97Å; E959-L961 VanDerWaalsContact C-N 3.33Å; E959-L961 PolarHBondContact O-N 2.86Å; L961-I964 PolarHBondContact O-N 2.86Å; L961-M965 WeakPolarHBondContact O-CB 3.44Å; L961-M965 PolarHBondContact O-N 2.94Å |
| 962 | R | 91.3 | Very high | 81.3 | Confident | 149 Ų | 149 | 51.7 Ų | 51.7 | 56% | 0.562 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 174.6 | -79.5 | 178.4 | -66.4 | 154.1 | 2.9 | 112.5 | M930 D958 E959 A960 M965 F966 | M930-R962 HydrophobicContact CE-CB 4.38Å; M930-R962 HydrophobicContact CE-CG 3.66Å; D958-R962 WeakPolarHBondContact O-CB 3.45Å; D958-R962 VanDerWaalsContact O-CG 3.24Å; D958-R962 WeakPolarHBondContact O-CG 3.34Å; D958-R962 PolarHBondContact O-N 3.26Å; D958-R962 PolarHBondContact O-NE 2.88Å; E959-R962 PolarHBondContact O-N 3.35Å; A960-R962 PolarHBondContact O-N 2.73Å; R962-M965 PolarHBondContact O-N 3.42Å; R962-F966 WeakPolarHBondContact O-CB 3.49Å; R962-F966 PolarHBondContact O-N 3.12Å |
| 963 | N | 92.8 | Very high | 84 | Confident | 25 Ų | 25 | 45.7 Ų | 45.7 | 13% | 0.134 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.5 | -42.4 | 177.6 | -70 | -20.3 | 0 | 0 | 0 | 111.5 | D462 M464 S465 E959 A960 M965 F966 W967 | D462-N963 PolarHBondContact OD2-ND2 2.68Å; M464-N963 HydrophobicContact CB-CB 3.64Å; S465-N963 PolarHBondContact N-ND2 2.91Å; E959-N963 PolarHBondContact O-N 3.03Å; A960-N963 PolarHBondContact O-N 3.42Å; N963-M965 VanDerWaalsContact C-N 3.35Å; N963-M965 PolarHBondContact O-N 3.44Å; N963-F966 WeakPolarHBondContact O-CB 3.39Å; N963-F966 PolarHBondContact O-N 3.21Å; N963-W967 PolarHBondContact O-N 3.11Å; N963-W967 VanDerWaalsContact O-N 3.09Å |
| 964 | I | 92.2 | Very high | 86.4 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.6 | -43.9 | 174.6 | -69.8 | 164.4 | 0 | 0 | 0 | 110.7 | M464 L762 P776 L779 L926 L956 A960 L961 W967 L968 | M464-I964 HydrophobicContact CE-CG1 4.48Å; M464-I964 HydrophobicContact CG-CG1 4.08Å; L762-I964 HydrophobicContact CD2-CD1 4.36Å; L762-I964 HydrophobicContact CD2-CG2 4.3Å; P776-I964 HydrophobicContact CG-CG2 3.93Å; L779-I964 HydrophobicContact CD1-CB 4.48Å; L779-I964 HydrophobicContact CD1-CG2 4Å; L926-I964 HydrophobicContact CD2-CB 4.49Å; L926-I964 HydrophobicContact CD2-CG2 3.74Å; L956-I964 HydrophobicContact CD1-CD1 3.72Å; A960-I964 WeakPolarHBondContact O-CB 3.3Å; A960-I964 WeakPolarHBondContact O-CD1 3.45Å; A960-I964 WeakPolarHBondContact O-CG1 3.31Å; A960-I964 PolarHBondContact O-N 3.45Å; L961-I964 PolarHBondContact O-N 2.86Å; I964-W967 PolarHBondContact O-N 3.23Å; I964-L968 HydrophobicContact CG2-CD1 3.99Å; I964-L968 HydrophobicContact CG2-CG 4.48Å; I964-L968 WeakPolarHBondContact O-CG 3.38Å; I964-L968 PolarHBondContact O-N 3.39Å |
| 965 | M | 92.1 | Very high | 88.2 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 9% | 0.094 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -61.2 | -47 | 175.1 | 176.5 | 52.8 | 70.1 | 0 | 0 | 112.6 | T923 L926 A927 M930 L961 R962 N963 W967 L968 K969 | T923-M965 HydrophobicContact CG2-SD 4.18Å; L926-M965 HydrophobicContact CB-CE 3.84Å; L926-M965 HydrophobicContact CD2-CB 4.28Å; L926-M965 HydrophobicContact CD2-CE 3.9Å; L926-M965 HydrophobicContact CG-CE 3.79Å; A927-M965 VanDerWaalsContact CA-CE 3.48Å; A927-M965 HydrophobicContact CB-CE 3.61Å; A927-M965 VanDerWaalsContact N-CE 3.29Å; M930-M965 HydrophobicContact CE-CB 4.29Å; M930-M965 HydrophobicContact SD-CB 3.66Å; M930-M965 HydrophobicContact SD-CE 3.98Å; M930-M965 HydrophobicContact SD-CG 4.06Å; L961-M965 WeakPolarHBondContact O-CB 3.44Å; L961-M965 PolarHBondContact O-N 2.94Å; R962-M965 PolarHBondContact O-N 3.42Å; N963-M965 VanDerWaalsContact C-N 3.35Å; N963-M965 PolarHBondContact O-N 3.44Å; M965-W967 VanDerWaalsContact C-N 3.28Å; M965-W967 PolarHBondContact O-N 3.02Å; M965-L968 PolarHBondContact O-N 2.97Å; M965-K969 WeakPolarHBondContact O-CB 3.36Å; M965-K969 PolarHBondContact O-N 2.88Å; M965-K969 HydrophobicContact SD-CB 4.39Å |
| 966 | F | 94.1 | Very high | 89.7 | Confident | 43 Ų | 43 | 30.8 Ų | 30.8 | 19% | 0.189 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -52.9 | -46.2 | 175.3 | 164.8 | -86.8 | 0 | 0 | 0 | 111.6 | M427 P429 I432 P466 R962 N963 G970 | M427-F966 WeakPolarHBondContact O-CZ 3.34Å; P429-F966 HydrophobicContact CG-CD1 4.01Å; P429-F966 HydrophobicContact CG-CE1 3.54Å; P429-F966 HydrophobicContact CG-CZ 3.88Å; I432-F966 HydrophobicContact CD1-CE1 4.09Å; I432-F966 HydrophobicContact CD1-CZ 3.84Å; P466-F966 HydrophobicContact CB-CE1 4.3Å; P466-F966 HydrophobicContact CB-CZ 4.38Å; P466-F966 HydrophobicContact CG-CD1 4.02Å; P466-F966 HydrophobicContact CG-CE1 3.43Å; P466-F966 VanDerWaalsContact CG-CE1 3.43Å; P466-F966 HydrophobicContact CG-CE2 4.43Å; P466-F966 HydrophobicContact CG-CZ 3.65Å; R962-F966 WeakPolarHBondContact O-CB 3.49Å; R962-F966 PolarHBondContact O-N 3.12Å; N963-F966 WeakPolarHBondContact O-CB 3.39Å; N963-F966 PolarHBondContact O-N 3.21Å; F966-G970 PolarHBondContact O-N 3.34Å |
| 967 | W | 94.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -70.2 | -41.1 | 177.1 | -77.1 | 103 | 0 | 0 | 0 | 112.7 | P429 I432 M464 R469 L779 F781 N963 I964 M965 R971 | P429-W967 HydrophobicContact CB-CE3 3.68Å; P429-W967 HydrophobicContact CB-CZ3 3.68Å; P429-W967 HydrophobicContact CG-CD2 4.37Å; P429-W967 HydrophobicContact CG-CE3 3.98Å; P429-W967 HydrophobicContact CG-CZ3 4.27Å; I432-W967 HydrophobicContact CB-CH2 4.31Å; I432-W967 HydrophobicContact CD1-CH2 4.37Å; I432-W967 HydrophobicContact CD1-CZ2 4.49Å; I432-W967 HydrophobicContact CG2-CH2 3.97Å; M464-W967 HydrophobicContact CE-CB 4.15Å; M464-W967 HydrophobicContact CE-CG 3.92Å; M464-W967 PolarHBondContact O-NE1 3.17Å; R469-W967 HydrophobicContact CB-CH2 4.38Å; R469-W967 HydrophobicContact CB-CZ2 3.61Å; R469-W967 HydrophobicContact CG-CZ2 3.96Å; L779-W967 HydrophobicContact CD1-CB 3.83Å; L779-W967 HydrophobicContact CD2-CB 3.97Å; L779-W967 HydrophobicContact CG-CB 4.41Å; F781-W967 HydrophobicContact CE2-CE3 4.5Å; F781-W967 AromaticContact CE2-CH2 3.79Å; F781-W967 HydrophobicContact CE2-CH2 3.79Å; F781-W967 AromaticContact CE2-CZ3 3.65Å; F781-W967 HydrophobicContact CE2-CZ3 3.65Å; F781-W967 AromaticContact CZ-CH2 3.77Å; F781-W967 HydrophobicContact CZ-CH2 3.77Å; F781-W967 AromaticContact CZ-CZ3 3.61Å; F781-W967 HydrophobicContact CZ-CZ3 3.61Å; N963-W967 PolarHBondContact O-N 3.11Å; N963-W967 VanDerWaalsContact O-N 3.09Å; I964-W967 PolarHBondContact O-N 3.23Å; M965-W967 VanDerWaalsContact C-N 3.28Å; M965-W967 PolarHBondContact O-N 3.02Å; W967-R971 WeakPolarHBondContact O-CB 3.49Å; W967-R971 WeakPolarHBondContact O-CG 3.21Å; W967-R971 PolarHBondContact O-N 2.9Å |
| 968 | L | 93.4 | Very high | 90.7 | Very high | 4 Ų | 4 | 28.8 Ų | 28.8 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62 | -54.7 | 176 | -75.6 | 170.8 | 0 | 0 | 0 | 111.7 | L779 H919 L922 L926 I964 M965 G970 R971 L972 | L779-L968 HydrophobicContact CD1-CG 4.24Å; L779-L968 HydrophobicContact CD2-CD2 3.81Å; L779-L968 HydrophobicContact CD2-CG 4.13Å; L779-L968 HydrophobicContact CG-CD2 4.36Å; H919-L968 PolarHBondContact NE2-O 3.22Å; L922-L968 HydrophobicContact CD2-CD2 3.72Å; L922-L968 HydrophobicContact CG-CD1 4.41Å; L922-L968 HydrophobicContact CG-CD2 4.15Å; L926-L968 HydrophobicContact CD2-CD1 3.6Å; I964-L968 HydrophobicContact CG2-CD1 3.99Å; I964-L968 HydrophobicContact CG2-CG 4.48Å; I964-L968 WeakPolarHBondContact O-CG 3.38Å; I964-L968 PolarHBondContact O-N 3.39Å; M965-L968 PolarHBondContact O-N 2.97Å; L968-G970 VanDerWaalsContact C-N 3.32Å; L968-G970 PolarHBondContact O-N 3.1Å; L968-R971 PolarHBondContact O-N 2.99Å; L968-R971 VanDerWaalsContact O-N 3.12Å; L968-L972 PolarHBondContact O-N 2.88Å |
| 969 | K | 93 | Very high | 90.8 | Very high | 62 Ų | 62 | 23.9 Ų | 23.9 | 27% | 0.27 | 11% | 0.108 | S | C | . | . | H | α-helix | trans | -57.5 | -43.9 | 177 | 179.8 | 176.1 | 174.1 | 174.4 | 0 | 111.6 | M965 R971 L972 V973 E1000 | M965-K969 WeakPolarHBondContact O-CB 3.36Å; M965-K969 PolarHBondContact O-N 2.88Å; M965-K969 HydrophobicContact SD-CB 4.39Å; K969-R971 VanDerWaalsContact C-N 3.34Å; K969-R971 PolarHBondContact O-N 3.01Å; K969-L972 WeakPolarHBondContact O-CB 3.46Å; K969-L972 PolarHBondContact O-N 3.43Å; K969-V973 PolarHBondContact O-N 3.42Å; K969-E1000 WeakPolarHBondContact CD-OE2 3.42Å; K969-E1000 WeakPolarHBondContact CE-OE2 3.49Å; K969-E1000 IonicContact NZ-OE1 2.75Å; K969-E1000 PolarHBondContact NZ-OE1 2.66Å; K969-E1000 IonicContact NZ-OE2 3.91Å; K969-E1000 PolarHBondContact NZ-OE2 2.88Å |
| 970 | G | 93.6 | Very high | 90.7 | Very high | 7 Ų | 7 | 20.1 Ų | 20.1 | 7% | 0.072 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65 | -32.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | F966 L968 Q974 | F966-G970 PolarHBondContact O-N 3.34Å; L968-G970 VanDerWaalsContact C-N 3.32Å; L968-G970 PolarHBondContact O-N 3.1Å; G970-Q974 WeakPolarHBondContact O-CB 3.18Å; G970-Q974 PolarHBondContact O-N 3.01Å |
| 971 | R | 92.3 | Very high | 90.5 | Very high | 4 Ų | 4 | 22.9 Ų | 22.9 | 2% | 0.015 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -75.3 | -31.7 | 171.8 | -69.2 | -65.3 | -164 | -155.2 | -3.9 | 112.6 | L779 W784 W967 L968 K969 Q974 V975 | L779-R971 HydrophobicContact CD2-CG 4.43Å; W784-R971 HydrophobicContact CD2-CG 4.13Å; W784-R971 HydrophobicContact CH2-CB 3.77Å; W784-R971 HydrophobicContact CH2-CG 4.33Å; W784-R971 HydrophobicContact CZ2-CB 3.56Å; W784-R971 HydrophobicContact CZ2-CG 3.72Å; W784-R971 HydrophobicContact CZ3-CB 4.34Å; W967-R971 WeakPolarHBondContact O-CB 3.49Å; W967-R971 WeakPolarHBondContact O-CG 3.21Å; W967-R971 PolarHBondContact O-N 2.9Å; L968-R971 PolarHBondContact O-N 2.99Å; L968-R971 VanDerWaalsContact O-N 3.12Å; K969-R971 VanDerWaalsContact C-N 3.34Å; K969-R971 PolarHBondContact O-N 3.01Å; R971-Q974 VanDerWaalsContact CD-OE1 3.26Å; R971-Q974 WeakPolarHBondContact O-CB 3.43Å; R971-Q974 PolarHBondContact O-N 2.97Å; R971-V975 WeakPolarHBondContact O-CG2 3.33Å; R971-V975 PolarHBondContact O-N 2.94Å |
| 972 | L | 92.6 | Very high | 90.1 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.005 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.6 | -50.3 | 171.4 | -176.5 | 59.7 | 0 | 0 | 0 | 109.9 | L916 H919 A920 L968 K969 Q974 V975 V976 V1001 V1004 F1005 | L916-L972 HydrophobicContact CD2-CD1 4.29Å; H919-L972 VanDerWaalsContact CD2-CA 3.49Å; H919-L972 WeakPolarHBondContact CD2-CA 3.02Å; H919-L972 PolarHBondContact NE2-N 2.98Å; A920-L972 HydrophobicContact CB-CD1 4.39Å; L968-L972 PolarHBondContact O-N 2.88Å; K969-L972 WeakPolarHBondContact O-CB 3.46Å; K969-L972 PolarHBondContact O-N 3.43Å; L972-Q974 VanDerWaalsContact C-N 3.31Å; L972-Q974 PolarHBondContact O-N 3.16Å; L972-V975 PolarHBondContact O-N 3.25Å; L972-V976 WeakPolarHBondContact O-CG2 3.48Å; L972-V976 PolarHBondContact O-N 3.35Å; L972-V1001 HydrophobicContact CD2-CG1 4.38Å; L972-V1001 HydrophobicContact CD2-CG2 4.25Å; L972-V1004 HydrophobicContact CD2-CB 4.46Å; L972-V1004 HydrophobicContact CD2-CG2 4.3Å; L972-V1004 HydrophobicContact CG-CG1 4.37Å; L972-F1005 HydrophobicContact CD1-CE2 4.48Å; L972-F1005 HydrophobicContact CD1-CZ 4.49Å |
| 973 | V | 93 | Very high | 89.6 | Confident | 4 Ų | 4 | 17.9 Ų | 17.9 | 2% | 0.024 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -56.8 | -42.6 | 172.7 | 167.7 | 0 | 0 | 0 | 0 | 111.4 | L210 K428 K969 V976 L977 V1004 | L210-V973 HydrophobicContact CD1-CB 4.41Å; L210-V973 HydrophobicContact CD1-CG1 3.85Å; L210-V973 HydrophobicContact CD1-CG2 4.12Å; K428-V973 HydrophobicContact CD-CG1 4.2Å; K969-V973 PolarHBondContact O-N 3.42Å; V973-V976 PolarHBondContact O-N 2.95Å; V973-L977 HydrophobicContact CG1-CD1 3.61Å; V973-L977 HydrophobicContact CG1-CG 4.19Å; V973-L977 WeakPolarHBondContact O-CB 3.27Å; V973-L977 VanDerWaalsContact O-CG 3.25Å; V973-L977 WeakPolarHBondContact O-CG 3.26Å; V973-L977 PolarHBondContact O-N 3.04Å; V973-V1004 HydrophobicContact CG2-CG1 4Å; V973-V1004 HydrophobicContact CG2-CG2 3.85Å |
| 974 | Q | 91.5 | Very high | 89 | Confident | 24 Ų | 24 | 19 Ų | 19 | 11% | 0.112 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -60.2 | -47.7 | 177.1 | -174.6 | 176.1 | -4.7 | 0 | 0 | 112.7 | V430 G970 R971 L972 V976 L977 E978 | V430-Q974 HydrophobicContact CB-CB 4.11Å; V430-Q974 HydrophobicContact CB-CG 3.97Å; V430-Q974 HydrophobicContact CG2-CG 3.95Å; G970-Q974 WeakPolarHBondContact O-CB 3.18Å; G970-Q974 PolarHBondContact O-N 3.01Å; R971-Q974 VanDerWaalsContact CD-OE1 3.26Å; R971-Q974 WeakPolarHBondContact O-CB 3.43Å; R971-Q974 PolarHBondContact O-N 2.97Å; L972-Q974 VanDerWaalsContact C-N 3.31Å; L972-Q974 PolarHBondContact O-N 3.16Å; Q974-V976 VanDerWaalsContact C-N 3.34Å; Q974-V976 PolarHBondContact O-N 3.19Å; Q974-L977 PolarHBondContact O-N 2.83Å; Q974-E978 HydrophobicContact CG-CG 4.31Å; Q974-E978 VanDerWaalsContact CG-OE1 3.26Å; Q974-E978 WeakPolarHBondContact CG-OE1 3.47Å; Q974-E978 PolarHBondContact NE2-OE1 3.23Å; Q974-E978 WeakPolarHBondContact O-CB 3.39Å; Q974-E978 WeakPolarHBondContact O-CG 3.34Å; Q974-E978 PolarHBondContact O-N 3.02Å |
| 975 | V | 88.5 | Confident | 88.2 | Confident | 5 Ų | 5 | 23.4 Ų | 23.4 | 3% | 0.03 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -63.3 | -42.6 | 178.6 | 178.6 | 0 | 0 | 0 | 0 | 110.8 | W784 L915 L916 R971 L972 L977 E978 H979 | W784-V975 HydrophobicContact CH2-CG2 4.25Å; W784-V975 HydrophobicContact CZ3-CG2 3.62Å; L915-V975 HydrophobicContact CD2-CG1 3.75Å; L915-V975 HydrophobicContact CD2-CG2 3.99Å; L915-V975 HydrophobicContact CG-CG1 4.11Å; L915-V975 HydrophobicContact CG-CG2 4.31Å; L916-V975 HydrophobicContact CD2-CB 4.12Å; L916-V975 HydrophobicContact CD2-CG1 3.58Å; L916-V975 HydrophobicContact CG-CG1 4.07Å; R971-V975 WeakPolarHBondContact O-CG2 3.33Å; R971-V975 PolarHBondContact O-N 2.94Å; L972-V975 PolarHBondContact O-N 3.25Å; V975-L977 PolarHBondContact O-N 2.99Å; V975-E978 PolarHBondContact O-N 3.33Å; V975-H979 WeakPolarHBondContact O-CB 3.45Å; V975-H979 PolarHBondContact O-CD2 2.96Å; V975-H979 PolarHBondContact O-N 3.13Å; V975-H979 VanDerWaalsContact O-N 3.1Å |
| 976 | V | 90.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.4 | -44.2 | 177.1 | 163.7 | 0 | 0 | 0 | 0 | 111.8 | L210 L916 L972 V973 Q974 C980 V1004 F1005 L1008 | L210-V976 HydrophobicContact CD1-CG1 4.36Å; L210-V976 HydrophobicContact CD2-CG1 4.39Å; L916-V976 HydrophobicContact CD2-CG2 3.94Å; L972-V976 WeakPolarHBondContact O-CG2 3.48Å; L972-V976 PolarHBondContact O-N 3.35Å; V973-V976 PolarHBondContact O-N 2.95Å; Q974-V976 VanDerWaalsContact C-N 3.34Å; Q974-V976 PolarHBondContact O-N 3.19Å; V976-C980 WeakPolarHBondContact O-CA 3.42Å; V976-C980 WeakPolarHBondContact O-CB 3.47Å; V976-C980 PolarHBondContact O-N 3.41Å; V976-V1004 HydrophobicContact CB-CG1 4.27Å; V976-V1004 HydrophobicContact CG1-CG1 4.24Å; V976-V1004 HydrophobicContact CG2-CG1 3.99Å; V976-F1005 HydrophobicContact CG2-CD1 4.46Å; V976-F1005 HydrophobicContact CG2-CE1 3.92Å; V976-F1005 HydrophobicContact CG2-CZ 4.22Å; V976-L1008 HydrophobicContact CG1-CB 3.88Å; V976-L1008 HydrophobicContact CG1-CD1 3.94Å; V976-L1008 HydrophobicContact CG1-CD2 4.04Å; V976-L1008 HydrophobicContact CG1-CG 4.15Å |
| 977 | L | 90.7 | Very high | 86.7 | Confident | 1 Ų | 1 | 24.7 Ų | 24.7 | 1% | 0.005 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -72.5 | -40.9 | 178.3 | -71.2 | 174.1 | 0 | 0 | 0 | 113.3 | L210 L211 L381 P382 V973 Q974 V975 H979 | L210-L977 HydrophobicContact CD1-CD2 4.38Å; L210-L977 HydrophobicContact CD1-CG 4.4Å; L210-L977 HydrophobicContact CD2-CD2 4.11Å; L210-L977 HydrophobicContact CG-CD2 3.86Å; L210-L977 HydrophobicContact CG-CG 4.4Å; L211-L977 HydrophobicContact CD2-CD2 3.91Å; L381-L977 HydrophobicContact CB-CD1 4.16Å; L381-L977 HydrophobicContact CD1-CD1 3.83Å; L381-L977 HydrophobicContact CD2-CD1 4.21Å; L381-L977 HydrophobicContact CG-CD1 4.28Å; P382-L977 HydrophobicContact CB-CB 4.1Å; P382-L977 HydrophobicContact CB-CD2 3.83Å; P382-L977 WeakPolarHBondContact CB-O 3.37Å; P382-L977 HydrophobicContact CG-CD2 3.96Å; V973-L977 HydrophobicContact CG1-CD1 3.61Å; V973-L977 HydrophobicContact CG1-CG 4.19Å; V973-L977 WeakPolarHBondContact O-CB 3.27Å; V973-L977 VanDerWaalsContact O-CG 3.25Å; V973-L977 WeakPolarHBondContact O-CG 3.26Å; V973-L977 PolarHBondContact O-N 3.04Å; Q974-L977 PolarHBondContact O-N 2.83Å; V975-L977 PolarHBondContact O-N 2.99Å; L977-H979 PolarHBondContact O-N 2.87Å |
| 978 | E | 84.3 | Confident | 85.8 | Confident | 48 Ų | 48 | 30 Ų | 30 | 22% | 0.224 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -66.5 | -27.3 | 178.6 | -76.8 | -178.4 | -160.5 | 0 | 0 | 112 | R383 Q974 V975 | R383-E978 PolarHBondContact NE-O 3.49Å; R383-E978 PolarHBondContact NH2-O 2.91Å; Q974-E978 HydrophobicContact CG-CG 4.31Å; Q974-E978 VanDerWaalsContact CG-OE1 3.26Å; Q974-E978 WeakPolarHBondContact CG-OE1 3.47Å; Q974-E978 PolarHBondContact NE2-OE1 3.23Å; Q974-E978 WeakPolarHBondContact O-CB 3.39Å; Q974-E978 WeakPolarHBondContact O-CG 3.34Å; Q974-E978 PolarHBondContact O-N 3.02Å; V975-E978 PolarHBondContact O-N 3.33Å |
| 979 | H | 84.5 | Confident | 85 | Confident | 11 Ų | 11 | 34.7 Ų | 34.7 | 5% | 0.051 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -114 | 6.4 | -174.9 | -66.5 | -76 | 0 | 0 | 0 | 115.9 | I912 V975 L977 D981 Q982 L983 | I912-H979 HydrophobicContact CG2-CB 4.39Å; V975-H979 WeakPolarHBondContact O-CB 3.45Å; V975-H979 PolarHBondContact O-CD2 2.96Å; V975-H979 PolarHBondContact O-N 3.13Å; V975-H979 VanDerWaalsContact O-N 3.1Å; L977-H979 PolarHBondContact O-N 2.87Å; H979-D981 VanDerWaalsContact C-N 3.33Å; H979-D981 PolarHBondContact O-N 3.02Å; H979-D981 VanDerWaalsContact O-N 3.14Å; H979-Q982 PolarHBondContact ND1-OE1 2.99Å; H979-Q982 WeakPolarHBondContact O-CA 3.49Å; H979-Q982 WeakPolarHBondContact O-CB 3.42Å; H979-Q982 PolarHBondContact O-N 3.14Å; H979-L983 HydrophobicContact CB-CD1 4.35Å; H979-L983 HydrophobicContact CB-CG 4.35Å; H979-L983 WeakPolarHBondContact O-CG 3.43Å; H979-L983 PolarHBondContact O-N 3.43Å; H979-L983 VanDerWaalsContact O-N 3.12Å |
| 980 | C | 86.6 | Confident | 84.2 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -47.3 | -48.4 | -174.9 | 62.1 | 0 | 0 | 0 | 0 | 114 | V976 Q982 L983 I984 L1008 Y1012 | V976-C980 WeakPolarHBondContact O-CA 3.42Å; V976-C980 WeakPolarHBondContact O-CB 3.47Å; V976-C980 PolarHBondContact O-N 3.41Å; C980-Q982 PolarHBondContact O-N 3.03Å; C980-L983 PolarHBondContact O-N 2.78Å; C980-I984 VanDerWaalsContact O-CG1 3.3Å; C980-I984 WeakPolarHBondContact O-CG1 3.19Å; C980-I984 PolarHBondContact O-N 3.12Å; C980-L1008 HydrophobicContact CB-CD1 3.87Å; C980-Y1012 VanDerWaalsContact C-OH 3.31Å; C980-Y1012 HydrophobicContact CB-CE2 4.35Å; C980-Y1012 WeakPolarHBondContact CB-OH 3.26Å; C980-Y1012 PolarHBondContact SG-OH 3.21Å |
| 981 | D | 81.1 | Confident | 83.2 | Confident | 65 Ų | 65 | 34.6 Ų | 34.6 | 35% | 0.348 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -60.2 | -21.3 | 178.6 | -46.4 | -52.9 | 0 | 0 | 0 | 114.7 | R383 H979 Y1012 | R383-D981 IonicContact CZ-OD2 3.85Å; R383-D981 IonicContact NH1-OD2 2.98Å; R383-D981 PolarHBondContact NH1-OD2 3.44Å; R383-D981 IonicContact NH2-OD2 3.88Å; R383-D981 PolarHBondContact NH2-OD2 2.73Å; H979-D981 VanDerWaalsContact C-N 3.33Å; H979-D981 PolarHBondContact O-N 3.02Å; H979-D981 VanDerWaalsContact O-N 3.14Å; D981-Y1012 PolarHBondContact N-OH 3.45Å |
| 982 | Q | 79.6 | Confident | 82.4 | Confident | 47 Ų | 47 | 42 Ų | 42 | 22% | 0.22 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -99.1 | -18.4 | -176.7 | -58 | 166.7 | 14.6 | 0 | 0 | 110.9 | I912 H979 C980 Y986 | I912-Q982 HydrophobicContact CD1-CB 4.29Å; I912-Q982 VanDerWaalsContact CD1-OE1 3.25Å; H979-Q982 PolarHBondContact ND1-OE1 2.99Å; H979-Q982 WeakPolarHBondContact O-CA 3.49Å; H979-Q982 WeakPolarHBondContact O-CB 3.42Å; H979-Q982 PolarHBondContact O-N 3.14Å; C980-Q982 PolarHBondContact O-N 3.03Å; Q982-Y986 WeakPolarHBondContact O-CD2 3.39Å |
| 983 | L | 80.6 | Confident | 81.3 | Confident | 4 Ų | 4 | 45.7 Ų | 45.7 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -87.2 | -25.9 | 175.9 | -62 | 172.3 | 0 | 0 | 0 | 112.5 | I912 L916 H979 C980 P985 Y986 L987 L990 L1008 | I912-L983 HydrophobicContact CG2-CD2 3.71Å; L916-L983 HydrophobicContact CD1-CD1 4.05Å; L916-L983 HydrophobicContact CD1-CD2 3.56Å; L916-L983 HydrophobicContact CD1-CG 4.48Å; H979-L983 HydrophobicContact CB-CD1 4.35Å; H979-L983 HydrophobicContact CB-CG 4.35Å; H979-L983 WeakPolarHBondContact O-CG 3.43Å; H979-L983 PolarHBondContact O-N 3.43Å; H979-L983 VanDerWaalsContact O-N 3.12Å; C980-L983 PolarHBondContact O-N 2.78Å; L983-P985 VanDerWaalsContact C-CD 3.44Å; L983-P985 VanDerWaalsContact C-N 3.35Å; L983-Y986 CarbonylContact O-C 3.37Å; L983-Y986 WeakPolarHBondContact O-CA 3.22Å; L983-Y986 PolarHBondContact O-N 3.47Å; L983-L987 PolarHBondContact O-N 2.97Å; L983-L990 HydrophobicContact CB-CD1 4.22Å; L983-L990 HydrophobicContact CD2-CD1 3.99Å; L983-L1008 HydrophobicContact CB-CD2 4.28Å; L983-L1008 HydrophobicContact CD1-CD2 3.86Å |
| 984 | I | 79.3 | Confident | 80.4 | Confident | 49 Ų | 49 | 46 Ų | 46 | 25% | 0.251 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -44 | -50.9 | 180 | -37.2 | 176.1 | 0 | 0 | 0 | 113.2 | I278 C980 Y986 L987 Y1012 | I278-I984 HydrophobicContact CD1-CD1 4.33Å; C980-I984 VanDerWaalsContact O-CG1 3.3Å; C980-I984 WeakPolarHBondContact O-CG1 3.19Å; C980-I984 PolarHBondContact O-N 3.12Å; I984-Y986 PolarHBondContact O-N 2.57Å; I984-L987 HydrophobicContact CG2-CD1 4.29Å; I984-L987 PolarHBondContact O-N 3.04Å; I984-Y1012 HydrophobicContact CD1-CD1 3.9Å; I984-Y1012 HydrophobicContact CD1-CE1 3.29Å; I984-Y1012 HydrophobicContact CD1-CE2 4.38Å; I984-Y1012 HydrophobicContact CG1-CD1 4.3Å; I984-Y1012 HydrophobicContact CG1-CD2 4.43Å; I984-Y1012 HydrophobicContact CG1-CE1 3.79Å; I984-Y1012 HydrophobicContact CG1-CE2 3.94Å; I984-Y1012 HydrophobicContact CG2-CD1 4.49Å; I984-Y1012 HydrophobicContact CG2-CG 4.46Å |
| 985 | P | 76 | Confident | 79.2 | Confident | 92 Ų | 92 | 49.8 Ų | 49.8 | 60% | 0.597 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -71.9 | 2.1 | -176.3 | -14.4 | 31.5 | 0 | 0 | 0 | 114.4 | L983 | L983-P985 VanDerWaalsContact C-CD 3.44Å; L983-P985 VanDerWaalsContact C-N 3.35Å |
| 986 | Y | 76.1 | Confident | 78.4 | Confident | 72 Ų | 72 | 53 Ų | 53 | 28% | 0.282 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -129.9 | 3.4 | -174.3 | -56.9 | -79.3 | 0 | 0 | 0 | 112.8 | C909 Q982 L983 I984 D988 N989 L990 | C909-Y986 HydrophobicContact CB-CE2 4.31Å; C909-Y986 WeakPolarHBondContact SG-CE2 3.22Å; C909-Y986 PolarHBondContact SG-OH 3.13Å; C909-Y986 VanDerWaalsContact SG-OH 3.37Å; Q982-Y986 WeakPolarHBondContact O-CD2 3.39Å; L983-Y986 CarbonylContact O-C 3.37Å; L983-Y986 WeakPolarHBondContact O-CA 3.22Å; L983-Y986 PolarHBondContact O-N 3.47Å; I984-Y986 PolarHBondContact O-N 2.57Å; Y986-D988 VanDerWaalsContact C-N 3.33Å; Y986-D988 PolarHBondContact O-N 3.46Å; Y986-N989 CarbonylContact O-C 3.57Å; Y986-N989 WeakPolarHBondContact O-CB 3.41Å; Y986-N989 PolarHBondContact O-N 2.59Å; Y986-L990 WeakPolarHBondContact O-CG 3.48Å; Y986-L990 PolarHBondContact O-N 3.46Å |
| 987 | L | 78.4 | Confident | 77.8 | Confident | 18 Ų | 18 | 54.3 Ų | 54.3 | 9% | 0.094 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.1 | -44.5 | -176.1 | -69.6 | 172.8 | 0 | 0 | 0 | 112.7 | L983 I984 N989 L990 D991 L1008 Y1012 | L983-L987 PolarHBondContact O-N 2.97Å; I984-L987 HydrophobicContact CG2-CD1 4.29Å; I984-L987 PolarHBondContact O-N 3.04Å; L987-N989 VanDerWaalsContact C-N 3.33Å; L987-N989 PolarHBondContact O-N 2.84Å; L987-L990 WeakPolarHBondContact O-CB 3.35Å; L987-L990 PolarHBondContact O-N 3.01Å; L987-L990 VanDerWaalsContact O-N 3.15Å; L987-D991 PolarHBondContact O-N 2.97Å; L987-L1008 HydrophobicContact CD2-CD2 3.6Å; L987-L1008 HydrophobicContact CD2-CG 3.85Å; L987-Y1012 HydrophobicContact CD1-CD2 4.42Å |
| 988 | D | 77.4 | Confident | 77.6 | Confident | 110 Ų | 110 | 56.3 Ų | 56.3 | 59% | 0.588 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -67.9 | -31.8 | 178.8 | -56.1 | -49.7 | 0 | 0 | 0 | 112.9 | Y986 E992 R1009 | Y986-D988 VanDerWaalsContact C-N 3.33Å; Y986-D988 PolarHBondContact O-N 3.46Å; D988-E992 PolarHBondContact O-N 2.86Å; D988-R1009 IonicContact OD1-CZ 3.29Å; D988-R1009 VanDerWaalsContact OD1-CZ 3.23Å; D988-R1009 IonicContact OD1-NH1 2.71Å; D988-R1009 PolarHBondContact OD1-NH1 2.66Å; D988-R1009 IonicContact OD1-NH2 2.97Å; D988-R1009 PolarHBondContact OD1-NH2 2.84Å |
| 989 | N | 76.4 | Confident | 77.7 | Confident | 104 Ų | 104 | 58.2 Ų | 58.2 | 56% | 0.556 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -75.4 | -27.2 | 173.4 | -59.6 | -34 | 0 | 0 | 0 | 112.1 | Y986 L987 F993 | Y986-N989 CarbonylContact O-C 3.57Å; Y986-N989 WeakPolarHBondContact O-CB 3.41Å; Y986-N989 PolarHBondContact O-N 2.59Å; L987-N989 VanDerWaalsContact C-N 3.33Å; L987-N989 PolarHBondContact O-N 2.84Å; N989-F993 PolarHBondContact O-N 3.04Å |
| 990 | L | 75.2 | Confident | 77.6 | Confident | 7 Ų | 7 | 61 Ų | 61 | 4% | 0.037 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.1 | -42 | 174.6 | -72.1 | 164.1 | 0 | 0 | 0 | 109.8 | L983 Y986 L987 E992 F993 I994 | L983-L990 HydrophobicContact CB-CD1 4.22Å; L983-L990 HydrophobicContact CD2-CD1 3.99Å; Y986-L990 WeakPolarHBondContact O-CG 3.48Å; Y986-L990 PolarHBondContact O-N 3.46Å; L987-L990 WeakPolarHBondContact O-CB 3.35Å; L987-L990 PolarHBondContact O-N 3.01Å; L987-L990 VanDerWaalsContact O-N 3.15Å; L990-E992 VanDerWaalsContact C-N 3.3Å; L990-E992 PolarHBondContact O-N 3.25Å; L990-F993 CarbonylContact O-C 3.53Å; L990-F993 WeakPolarHBondContact O-CA 3.44Å; L990-F993 WeakPolarHBondContact O-CB 3.42Å; L990-F993 PolarHBondContact O-N 3.38Å; L990-I994 HydrophobicContact CB-CD1 3.94Å; L990-I994 WeakPolarHBondContact O-CB 3.25Å; L990-I994 WeakPolarHBondContact O-CD1 3.47Å; L990-I994 VanDerWaalsContact O-CG1 3.23Å; L990-I994 WeakPolarHBondContact O-CG1 3.16Å; L990-I994 PolarHBondContact O-N 3.43Å |
| 991 | D | 72.7 | Confident | 77.7 | Confident | 60 Ų | 60 | 61 Ų | 61 | 32% | 0.321 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.9 | -37.4 | 177.8 | -75.6 | -9.4 | 0 | 0 | 0 | 112.3 | L987 F993 I994 C995 R1009 | L987-D991 PolarHBondContact O-N 2.97Å; D991-F993 PolarHBondContact O-N 2.69Å; D991-I994 PolarHBondContact O-N 3.39Å; D991-C995 WeakPolarHBondContact O-CB 3.48Å; D991-C995 PolarHBondContact O-N 2.59Å; D991-R1009 IonicContact OD2-CZ 3.89Å; D991-R1009 IonicContact OD2-NE 3.3Å; D991-R1009 IonicContact OD2-NH1 3.02Å; D991-R1009 PolarHBondContact OD2-NH1 3.01Å |
| 992 | E | 75.3 | Confident | 77.9 | Confident | 159 Ų | 159 | 61.4 Ų | 61.4 | 74% | 0.743 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.2 | -43.2 | 170.1 | -175.2 | 178.7 | -162.1 | 0 | 0 | 111.8 | D988 L990 | D988-E992 PolarHBondContact O-N 2.86Å; L990-E992 VanDerWaalsContact C-N 3.3Å; L990-E992 PolarHBondContact O-N 3.25Å |
| 993 | F | 69.6 | Low | 78.3 | Confident | 79 Ų | 79 | 60.1 Ų | 60.1 | 35% | 0.346 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.7 | -29.2 | 177.6 | 168 | -113.7 | 0 | 0 | 0 | 113.7 | H917 N989 L990 D991 | H917-F993 HydrophobicContact CB-CE1 4.12Å; H917-F993 HydrophobicContact CB-CE2 4.45Å; H917-F993 HydrophobicContact CB-CZ 3.79Å; H917-F993 AromaticContact CE1-CE2 3.69Å; H917-F993 AromaticContact CG-CE2 3.99Å; H917-F993 AromaticContact CG-CZ 3.69Å; H917-F993 AromaticContact ND1-CD2 3.95Å; H917-F993 AromaticContact ND1-CE2 3.02Å; H917-F993 WeakPolarHBondContact ND1-CE2 3.12Å; H917-F993 AromaticContact ND1-CZ 3.18Å; H917-F993 WeakPolarHBondContact ND1-CZ 3.46Å; N989-F993 PolarHBondContact O-N 3.04Å; L990-F993 CarbonylContact O-C 3.53Å; L990-F993 WeakPolarHBondContact O-CA 3.44Å; L990-F993 WeakPolarHBondContact O-CB 3.42Å; L990-F993 PolarHBondContact O-N 3.38Å; D991-F993 PolarHBondContact O-N 2.69Å |
| 994 | I | 74.2 | Confident | 78.7 | Confident | 9 Ų | 9 | 60.1 Ų | 60.1 | 5% | 0.046 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -93.6 | -12.9 | -175.3 | -64.5 | 153.8 | 0 | 0 | 0 | 111.9 | L990 D991 G996 A997 Q1002 F1005 | L990-I994 HydrophobicContact CB-CD1 3.94Å; L990-I994 WeakPolarHBondContact O-CB 3.25Å; L990-I994 WeakPolarHBondContact O-CD1 3.47Å; L990-I994 VanDerWaalsContact O-CG1 3.23Å; L990-I994 WeakPolarHBondContact O-CG1 3.16Å; L990-I994 PolarHBondContact O-N 3.43Å; D991-I994 PolarHBondContact O-N 3.39Å; I994-G996 PolarHBondContact O-N 3.31Å; I994-G996 VanDerWaalsContact O-N 3.14Å; I994-A997 HydrophobicContact CG2-CB 4.24Å; I994-A997 VanDerWaalsContact O-CB 3.26Å; I994-A997 WeakPolarHBondContact O-CB 3.11Å; I994-A997 PolarHBondContact O-N 2.9Å; I994-Q1002 HydrophobicContact CG2-CB 4.43Å; I994-Q1002 HydrophobicContact CG2-CG 3.94Å; I994-Q1002 PolarHBondContact O-NE2 2.92Å; I994-F1005 HydrophobicContact CD1-CB 3.68Å; I994-F1005 HydrophobicContact CD1-CD1 3.48Å; I994-F1005 VanDerWaalsContact CD1-CD1 3.48Å; I994-F1005 HydrophobicContact CD1-CD2 3.34Å; I994-F1005 HydrophobicContact CD1-CE1 3.82Å; I994-F1005 HydrophobicContact CD1-CE2 3.69Å; I994-F1005 HydrophobicContact CD1-CG 3.22Å; I994-F1005 HydrophobicContact CD1-CZ 3.92Å; I994-F1005 HydrophobicContact CG1-CD2 3.89Å; I994-F1005 HydrophobicContact CG1-CE2 4.05Å; I994-F1005 HydrophobicContact CG1-CG 4.26Å; I994-F1005 HydrophobicContact CG2-CB 4.48Å; I994-F1005 HydrophobicContact CG2-CD2 4.15Å |
| 995 | C | 66.2 | Low | 79.1 | Confident | 104 Ų | 104 | 58 Ų | 58 | 70% | 0.703 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 116.2 | 171.2 | -166.7 | 0 | 0 | 0 | 0 | 110.6 | D991 | D991-C995 WeakPolarHBondContact O-CB 3.48Å; D991-C995 PolarHBondContact O-N 2.59Å |
| 996 | G | 71.8 | Confident | 79.7 | Confident | 72 Ų | 72 | 60.2 Ų | 60.2 | 74% | 0.742 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.8 | -0.3 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | I994 | I994-G996 PolarHBondContact O-N 3.31Å; I994-G996 VanDerWaalsContact O-N 3.14Å |
| 997 | A | 78.4 | Confident | 80.4 | Confident | 29 Ų | 29 | 58.3 Ų | 58.3 | 24% | 0.24 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -67.2 | 160.9 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I994 V1001 Q1002 | I994-A997 HydrophobicContact CG2-CB 4.24Å; I994-A997 VanDerWaalsContact O-CB 3.26Å; I994-A997 WeakPolarHBondContact O-CB 3.11Å; I994-A997 PolarHBondContact O-N 2.9Å; A997-V1001 HydrophobicContact CB-CB 4.19Å; A997-V1001 HydrophobicContact CB-CG1 4.06Å; A997-Q1002 HydrophobicContact CB-CG 4.15Å; A997-Q1002 WeakPolarHBondContact O-CG 3.5Å; A997-Q1002 PolarHBondContact O-NE2 3.28Å |
| 998 | H | 85.1 | Confident | 80.9 | Confident | 42 Ų | 42 | 57.5 Ų | 57.5 | 19% | 0.194 | 33% | 0.325 | C | S | . | . | trans | -58.7 | 143.2 | 177.2 | -171.2 | -93.6 | 0 | 0 | 0 | 111.6 | A924 A927 E1000 V1001 Q1002 | A924-H998 HydrophobicContact CB-CB 3.62Å; A927-H998 VanDerWaalsContact CB-CE1 3.41Å; A927-H998 WeakPolarHBondContact CB-CE1 3.19Å; A927-H998 WeakPolarHBondContact CB-ND1 3.29Å; H998-E1000 PolarHBondContact ND1-N 3.39Å; H998-E1000 PolarHBondContact O-N 3.31Å; H998-V1001 WeakPolarHBondContact O-CA 3.37Å; H998-V1001 WeakPolarHBondContact O-CB 3.44Å; H998-V1001 PolarHBondContact O-N 3.19Å; H998-Q1002 PolarHBondContact O-N 3.27Å; H998-Q1002 VanDerWaalsContact O-N 3.16Å | ||
| 999 | P | 86.7 | Confident | 81.4 | Confident | 89 Ų | 89 | 57 Ų | 57 | 58% | 0.578 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -53.3 | -34.2 | -174.9 | -31.5 | 37 | 0 | 0 | 0 | 115.3 | V1001 Q1002 G1003 | P999-V1001 VanDerWaalsContact C-N 3.26Å; P999-V1001 PolarHBondContact O-N 3.15Å; P999-Q1002 PolarHBondContact O-N 3.26Å; P999-G1003 PolarHBondContact O-N 3.25Å |
| 1000 | E | 83.2 | Confident | 82.1 | Confident | 68 Ų | 68 | 52.8 Ų | 52.8 | 32% | 0.318 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.7 | -34 | 173.6 | -81.7 | -73.6 | -157.4 | 0 | 0 | 114 | K969 H998 | K969-E1000 WeakPolarHBondContact CD-OE2 3.42Å; K969-E1000 WeakPolarHBondContact CE-OE2 3.49Å; K969-E1000 IonicContact NZ-OE1 2.75Å; K969-E1000 PolarHBondContact NZ-OE1 2.66Å; K969-E1000 IonicContact NZ-OE2 3.91Å; K969-E1000 PolarHBondContact NZ-OE2 2.88Å; H998-E1000 PolarHBondContact ND1-N 3.39Å; H998-E1000 PolarHBondContact O-N 3.31Å |
| 1001 | V | 87.6 | Confident | 82.6 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -78.1 | -47.9 | 174.8 | 176.2 | 0 | 0 | 0 | 0 | 109.8 | A920 T923 A924 L972 A997 H998 P999 G1003 V1004 F1005 | A920-V1001 HydrophobicContact CB-CG1 3.77Å; A920-V1001 WeakPolarHBondContact O-CG2 3.49Å; T923-V1001 HydrophobicContact CG2-CG2 4.44Å; A924-V1001 HydrophobicContact CB-CG2 4.08Å; L972-V1001 HydrophobicContact CD2-CG1 4.38Å; L972-V1001 HydrophobicContact CD2-CG2 4.25Å; A997-V1001 HydrophobicContact CB-CB 4.19Å; A997-V1001 HydrophobicContact CB-CG1 4.06Å; H998-V1001 WeakPolarHBondContact O-CA 3.37Å; H998-V1001 WeakPolarHBondContact O-CB 3.44Å; H998-V1001 PolarHBondContact O-N 3.19Å; P999-V1001 VanDerWaalsContact C-N 3.26Å; P999-V1001 PolarHBondContact O-N 3.15Å; V1001-G1003 VanDerWaalsContact C-N 3.28Å; V1001-G1003 PolarHBondContact O-N 3.13Å; V1001-V1004 PolarHBondContact O-N 3.03Å; V1001-V1004 VanDerWaalsContact O-N 3.17Å; V1001-F1005 HydrophobicContact CG1-CD2 4.02Å; V1001-F1005 HydrophobicContact CG1-CE2 3.82Å; V1001-F1005 WeakPolarHBondContact O-CD2 3.47Å; V1001-F1005 PolarHBondContact O-N 3.19Å |
| 1002 | Q | 87.1 | Confident | 83.1 | Confident | 74 Ų | 74 | 51.8 Ų | 51.8 | 35% | 0.346 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.3 | -41.4 | -178.8 | -63.2 | -173.3 | -33.1 | 0 | 0 | 111.9 | I994 A997 H998 P999 V1004 F1005 Q1006 | I994-Q1002 HydrophobicContact CG2-CB 4.43Å; I994-Q1002 HydrophobicContact CG2-CG 3.94Å; I994-Q1002 PolarHBondContact O-NE2 2.92Å; A997-Q1002 HydrophobicContact CB-CG 4.15Å; A997-Q1002 WeakPolarHBondContact O-CG 3.5Å; A997-Q1002 PolarHBondContact O-NE2 3.28Å; H998-Q1002 PolarHBondContact O-N 3.27Å; H998-Q1002 VanDerWaalsContact O-N 3.16Å; P999-Q1002 PolarHBondContact O-N 3.26Å; Q1002-V1004 PolarHBondContact O-N 3.25Å; Q1002-F1005 PolarHBondContact O-N 3.27Å; Q1002-Q1006 PolarHBondContact O-N 3.37Å |
| 1003 | G | 87.9 | Confident | 83.3 | Confident | 20 Ų | 20 | 47.2 Ų | 47.2 | 21% | 0.206 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56.1 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | P999 V1001 F1005 Q1006 Q1007 | P999-G1003 PolarHBondContact O-N 3.25Å; V1001-G1003 VanDerWaalsContact C-N 3.28Å; V1001-G1003 PolarHBondContact O-N 3.13Å; G1003-F1005 VanDerWaalsContact C-N 3.27Å; G1003-F1005 PolarHBondContact O-N 2.96Å; G1003-Q1006 PolarHBondContact O-N 3.32Å; G1003-Q1007 WeakPolarHBondContact O-CB 3.37Å; G1003-Q1007 WeakPolarHBondContact O-CG 3.44Å; G1003-Q1007 PolarHBondContact O-N 2.99Å |
| 1004 | V | 89.3 | Confident | 84 | Confident | 4 Ų | 4 | 45.6 Ų | 45.6 | 2% | 0.024 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 179.9 | 177.2 | 0 | 0 | 0 | 0 | 111.8 | L210 L972 V973 V976 V1001 Q1002 L1008 | L210-V1004 HydrophobicContact CD1-CG1 4.13Å; L972-V1004 HydrophobicContact CD2-CB 4.46Å; L972-V1004 HydrophobicContact CD2-CG2 4.3Å; L972-V1004 HydrophobicContact CG-CG1 4.37Å; V973-V1004 HydrophobicContact CG2-CG1 4Å; V973-V1004 HydrophobicContact CG2-CG2 3.85Å; V976-V1004 HydrophobicContact CB-CG1 4.27Å; V976-V1004 HydrophobicContact CG1-CG1 4.24Å; V976-V1004 HydrophobicContact CG2-CG1 3.99Å; V1001-V1004 PolarHBondContact O-N 3.03Å; V1001-V1004 VanDerWaalsContact O-N 3.17Å; Q1002-V1004 PolarHBondContact O-N 3.25Å; V1004-L1008 PolarHBondContact O-N 3.2Å |
| 1005 | F | 87.3 | Confident | 84.5 | Confident | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.022 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -82.2 | -33.4 | -179.8 | -70.1 | -78.8 | 0 | 0 | 0 | 113.6 | L916 L972 V976 I994 V1001 Q1002 G1003 Q1007 L1008 R1009 | L916-F1005 HydrophobicContact CD1-CE1 4.34Å; L916-F1005 HydrophobicContact CD2-CE1 4.47Å; L916-F1005 HydrophobicContact CD2-CZ 4.14Å; L972-F1005 HydrophobicContact CD1-CE2 4.48Å; L972-F1005 HydrophobicContact CD1-CZ 4.49Å; V976-F1005 HydrophobicContact CG2-CD1 4.46Å; V976-F1005 HydrophobicContact CG2-CE1 3.92Å; V976-F1005 HydrophobicContact CG2-CZ 4.22Å; I994-F1005 HydrophobicContact CD1-CB 3.68Å; I994-F1005 HydrophobicContact CD1-CD1 3.48Å; I994-F1005 VanDerWaalsContact CD1-CD1 3.48Å; I994-F1005 HydrophobicContact CD1-CD2 3.34Å; I994-F1005 HydrophobicContact CD1-CE1 3.82Å; I994-F1005 HydrophobicContact CD1-CE2 3.69Å; I994-F1005 HydrophobicContact CD1-CG 3.22Å; I994-F1005 HydrophobicContact CD1-CZ 3.92Å; I994-F1005 HydrophobicContact CG1-CD2 3.89Å; I994-F1005 HydrophobicContact CG1-CE2 4.05Å; I994-F1005 HydrophobicContact CG1-CG 4.26Å; I994-F1005 HydrophobicContact CG2-CB 4.48Å; I994-F1005 HydrophobicContact CG2-CD2 4.15Å; V1001-F1005 HydrophobicContact CG1-CD2 4.02Å; V1001-F1005 HydrophobicContact CG1-CE2 3.82Å; V1001-F1005 WeakPolarHBondContact O-CD2 3.47Å; V1001-F1005 PolarHBondContact O-N 3.19Å; Q1002-F1005 PolarHBondContact O-N 3.27Å; G1003-F1005 VanDerWaalsContact C-N 3.27Å; G1003-F1005 PolarHBondContact O-N 2.96Å; F1005-Q1007 VanDerWaalsContact C-N 3.26Å; F1005-Q1007 PolarHBondContact O-N 3.17Å; F1005-L1008 HydrophobicContact CD1-CD2 4.01Å; F1005-L1008 WeakPolarHBondContact O-CB 3.38Å; F1005-L1008 PolarHBondContact O-N 3.37Å; F1005-R1009 PolarHBondContact O-N 2.88Å |
| 1006 | Q | 87.2 | Confident | 85.5 | Confident | 138 Ų | 138 | 44.4 Ų | 44.4 | 65% | 0.645 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -59.3 | -41.8 | 167.6 | -172.3 | -178.4 | 9.5 | 0 | 0 | 110.6 | Q1002 G1003 R1009 S1010 | Q1002-Q1006 PolarHBondContact O-N 3.37Å; G1003-Q1006 PolarHBondContact O-N 3.32Å; Q1006-R1009 PolarHBondContact O-N 3.39Å; Q1006-S1010 PolarHBondContact O-N 3.41Å; Q1006-S1010 VanDerWaalsContact O-N 3.15Å |
| 1007 | Q | 91.4 | Very high | 86.3 | Confident | 32 Ų | 32 | 42.8 Ų | 42.8 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -40.6 | 174.9 | -62 | 163.5 | 8.9 | 0 | 0 | 111.8 | P206 S209 L210 G1003 F1005 R1009 S1010 L1011 | P206-Q1007 WeakPolarHBondContact O-CG 3.4Å; S209-Q1007 VanDerWaalsContact CB-NE2 3.32Å; S209-Q1007 PolarHBondContact OG-NE2 3.45Å; S209-Q1007 VanDerWaalsContact OG-NE2 3.07Å; L210-Q1007 HydrophobicContact CB-CB 3.73Å; L210-Q1007 HydrophobicContact CB-CG 4.47Å; L210-Q1007 HydrophobicContact CD2-CB 4.1Å; L210-Q1007 HydrophobicContact CG-CB 4.37Å; G1003-Q1007 WeakPolarHBondContact O-CB 3.37Å; G1003-Q1007 WeakPolarHBondContact O-CG 3.44Å; G1003-Q1007 PolarHBondContact O-N 2.99Å; F1005-Q1007 VanDerWaalsContact C-N 3.26Å; F1005-Q1007 PolarHBondContact O-N 3.17Å; Q1007-R1009 VanDerWaalsContact C-N 3.34Å; Q1007-R1009 PolarHBondContact O-N 3.19Å; Q1007-S1010 WeakPolarHBondContact CA-OG 3.29Å; Q1007-S1010 PolarHBondContact O-N 3.18Å; Q1007-S1010 PolarHBondContact O-OG 2.97Å; Q1007-L1011 PolarHBondContact O-N 3.18Å |
| 1008 | L | 89.8 | Confident | 86.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -57.3 | -46.1 | 172.2 | 171.9 | 64 | 0 | 0 | 0 | 111.5 | L210 V976 C980 L983 L987 V1004 F1005 S1010 L1011 Y1012 | L210-L1008 HydrophobicContact CD2-CB 4.45Å; V976-L1008 HydrophobicContact CG1-CB 3.88Å; V976-L1008 HydrophobicContact CG1-CD1 3.94Å; V976-L1008 HydrophobicContact CG1-CD2 4.04Å; V976-L1008 HydrophobicContact CG1-CG 4.15Å; C980-L1008 HydrophobicContact CB-CD1 3.87Å; L983-L1008 HydrophobicContact CB-CD2 4.28Å; L983-L1008 HydrophobicContact CD1-CD2 3.86Å; L987-L1008 HydrophobicContact CD2-CD2 3.6Å; L987-L1008 HydrophobicContact CD2-CG 3.85Å; V1004-L1008 PolarHBondContact O-N 3.2Å; F1005-L1008 HydrophobicContact CD1-CD2 4.01Å; F1005-L1008 WeakPolarHBondContact O-CB 3.38Å; F1005-L1008 PolarHBondContact O-N 3.37Å; L1008-S1010 VanDerWaalsContact C-N 3.27Å; L1008-S1010 PolarHBondContact O-N 3.01Å; L1008-L1011 HydrophobicContact CD1-CD1 4.22Å; L1008-L1011 WeakPolarHBondContact O-CB 3.47Å; L1008-L1011 PolarHBondContact O-N 2.99Å; L1008-L1011 VanDerWaalsContact O-N 3.11Å; L1008-Y1012 HydrophobicContact CD1-CE2 4.26Å |
| 1009 | R | 87.9 | Confident | 86.9 | Confident | 99 Ų | 99 | 43.7 Ų | 43.7 | 37% | 0.374 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -60.2 | -38.5 | 179.8 | -165 | 170.5 | -177.2 | 108.7 | 13.7 | 111.3 | D988 D991 F1005 Q1006 Q1007 L1011 Y1012 A1013 | D988-R1009 IonicContact OD1-CZ 3.29Å; D988-R1009 VanDerWaalsContact OD1-CZ 3.23Å; D988-R1009 IonicContact OD1-NH1 2.71Å; D988-R1009 PolarHBondContact OD1-NH1 2.66Å; D988-R1009 IonicContact OD1-NH2 2.97Å; D988-R1009 PolarHBondContact OD1-NH2 2.84Å; D991-R1009 IonicContact OD2-CZ 3.89Å; D991-R1009 IonicContact OD2-NE 3.3Å; D991-R1009 IonicContact OD2-NH1 3.02Å; D991-R1009 PolarHBondContact OD2-NH1 3.01Å; F1005-R1009 PolarHBondContact O-N 2.88Å; Q1006-R1009 PolarHBondContact O-N 3.39Å; Q1007-R1009 VanDerWaalsContact C-N 3.34Å; Q1007-R1009 PolarHBondContact O-N 3.19Å; R1009-L1011 VanDerWaalsContact C-N 3.28Å; R1009-L1011 PolarHBondContact O-N 3.34Å; R1009-Y1012 PolarHBondContact O-N 3.16Å; R1009-A1013 PolarHBondContact O-N 3.27Å |
| 1010 | S | 89.5 | Confident | 86.9 | Confident | 16 Ų | 16 | 40.5 Ų | 40.5 | 11% | 0.112 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68.7 | -12.5 | 175.9 | 60.8 | 0 | 0 | 0 | 0 | 116.5 | H207 Q1006 Q1007 L1008 Y1012 | H207-S1010 PolarHBondContact N-OG 2.88Å; Q1006-S1010 PolarHBondContact O-N 3.41Å; Q1006-S1010 VanDerWaalsContact O-N 3.15Å; Q1007-S1010 WeakPolarHBondContact CA-OG 3.29Å; Q1007-S1010 PolarHBondContact O-N 3.18Å; Q1007-S1010 PolarHBondContact O-OG 2.97Å; L1008-S1010 VanDerWaalsContact C-N 3.27Å; L1008-S1010 PolarHBondContact O-N 3.01Å; S1010-Y1012 PolarHBondContact O-N 3.21Å |
| 1011 | L | 87.5 | Confident | 87.2 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -18.8 | 170.8 | -64.9 | -179.5 | 0 | 0 | 0 | 113.3 | H207 L210 L211 L281 P282 Q1007 L1008 R1009 | H207-L1011 HydrophobicContact CB-CD2 3.73Å; L210-L1011 HydrophobicContact CD2-CD1 3.82Å; L210-L1011 HydrophobicContact CD2-CG 4.2Å; L211-L1011 HydrophobicContact CD1-CD2 3.68Å; L211-L1011 HydrophobicContact CD2-CD2 3.91Å; L211-L1011 HydrophobicContact CG-CD2 3.88Å; L281-L1011 WeakPolarHBondContact CD2-O 3.34Å; P282-L1011 HydrophobicContact CG-CD2 4.25Å; Q1007-L1011 PolarHBondContact O-N 3.18Å; L1008-L1011 HydrophobicContact CD1-CD1 4.22Å; L1008-L1011 WeakPolarHBondContact O-CB 3.47Å; L1008-L1011 PolarHBondContact O-N 2.99Å; L1008-L1011 VanDerWaalsContact O-N 3.11Å; R1009-L1011 VanDerWaalsContact C-N 3.28Å; R1009-L1011 PolarHBondContact O-N 3.34Å |
| 1012 | Y | 83 | Confident | 87.2 | Confident | 45 Ų | 45 | 41.5 Ų | 41.5 | 18% | 0.176 | 22% | 0.215 | C | C | . | . | trans | -126.7 | 5.8 | -174.3 | -57.6 | -80 | 0 | 0 | 0 | 113 | L281 C980 D981 I984 L987 L1008 R1009 S1010 | L281-Y1012 HydrophobicContact CD2-CD1 3.87Å; L281-Y1012 HydrophobicContact CD2-CE1 3.47Å; L281-Y1012 VanDerWaalsContact CD2-CE1 3.47Å; C980-Y1012 VanDerWaalsContact C-OH 3.31Å; C980-Y1012 HydrophobicContact CB-CE2 4.35Å; C980-Y1012 WeakPolarHBondContact CB-OH 3.26Å; C980-Y1012 PolarHBondContact SG-OH 3.21Å; D981-Y1012 PolarHBondContact N-OH 3.45Å; I984-Y1012 HydrophobicContact CD1-CD1 3.9Å; I984-Y1012 HydrophobicContact CD1-CE1 3.29Å; I984-Y1012 HydrophobicContact CD1-CE2 4.38Å; I984-Y1012 HydrophobicContact CG1-CD1 4.3Å; I984-Y1012 HydrophobicContact CG1-CD2 4.43Å; I984-Y1012 HydrophobicContact CG1-CE1 3.79Å; I984-Y1012 HydrophobicContact CG1-CE2 3.94Å; I984-Y1012 HydrophobicContact CG2-CD1 4.49Å; I984-Y1012 HydrophobicContact CG2-CG 4.46Å; L987-Y1012 HydrophobicContact CD1-CD2 4.42Å; L1008-Y1012 HydrophobicContact CD1-CE2 4.26Å; R1009-Y1012 PolarHBondContact O-N 3.16Å; S1010-Y1012 PolarHBondContact O-N 3.21Å | ||
| 1013 | A | 78.4 | Confident | 87.2 | Confident | 63 Ų | 63 | 38.5 Ų | 38.5 | 52% | 0.521 | 20% | 0.204 | S | C | . | . | trans | -75.8 | 0 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | S159 Q160 A161 R1009 | S159-A1013 WeakPolarHBondContact CA-OXT 3.31Å; S159-A1013 WeakPolarHBondContact CB-O 3.29Å; S159-A1013 WeakPolarHBondContact CB-OXT 3.38Å; Q160-A1013 CarbonylContact C-O 3.5Å; Q160-A1013 WeakPolarHBondContact CA-O 3.41Å; Q160-A1013 WeakPolarHBondContact CB-O 3.43Å; Q160-A1013 PolarHBondContact N-O 3.38Å; Q160-A1013 PolarHBondContact N-OXT 3.4Å; A161-A1013 PolarHBondContact N-O 3.49Å; R1009-A1013 PolarHBondContact O-N 3.27Å |
Retrieved 1,013 of 1,013 residues in 1363.5 ms
(Link to these results)