| 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 | 39.2 | Very low | 44.3 | Very low | 169 Ų | 169 | 81 Ų | 81 | 83% | 0.833 | 45% | 0.448 | S | S | * | . | 0 | -50.4 | 0 | -152.6 | 170.3 | 170.8 | 0 | 0 | 111.8 | L3 L4 S5 | M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.01Å; M1-L4 PolarHBondContact O-N 3.36Å; M1-S5 PolarHBondContact O-N 3.11Å | |||
| 2 | L | 37.8 | Very low | 44.5 | Very low | 148 Ų | 148 | 83.5 Ų | 83.5 | 78% | 0.775 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -56.7 | -32.3 | 174.4 | -81.4 | 155 | 0 | 0 | 0 | 115.1 | S5 S6 | L2-S5 WeakPolarHBondContact CA-OG 3.49Å; L2-S5 PolarHBondContact O-OG 3.41Å; L2-S6 WeakPolarHBondContact O-CB 3.48Å; L2-S6 PolarHBondContact O-N 3.45Å; L2-S6 PolarHBondContact O-OG 3.14Å; L2-S6 VanDerWaalsContact O-OG 3.06Å |
| 3 | L | 40.6 | Very low | 44.1 | Very low | 124 Ų | 124 | 86 Ų | 86 | 65% | 0.649 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -72.6 | -25 | 179.9 | -75.3 | 165.2 | 0 | 0 | 0 | 114.7 | M1 S6 S7 | M1-L3 VanDerWaalsContact C-N 3.29Å; M1-L3 PolarHBondContact O-N 3.01Å; L3-S6 WeakPolarHBondContact CA-OG 3.13Å; L3-S6 PolarHBondContact O-OG 3.29Å; L3-S7 WeakPolarHBondContact O-CB 3.38Å; L3-S7 PolarHBondContact O-N 3.16Å; L3-S7 PolarHBondContact O-OG 2.86Å |
| 4 | L | 47.5 | Very low | 44.1 | Very low | 21 Ų | 21 | 92.3 Ų | 92.3 | 11% | 0.11 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -84.8 | -38 | 176.2 | -88.8 | 154.6 | 0 | 0 | 0 | 110.7 | M1 S7 I8 W290 I291 | M1-L4 PolarHBondContact O-N 3.36Å; L4-S7 PolarHBondContact O-N 2.89Å; L4-I8 VanDerWaalsContact O-CG1 3.27Å; L4-I8 WeakPolarHBondContact O-CG1 3.38Å; L4-I8 PolarHBondContact O-N 3.09Å; L4-W290 HydrophobicContact CD1-CB 4.42Å; L4-I291 HydrophobicContact CD1-CG1 4.07Å |
| 5 | S | 49 | Very low | 44.2 | Very low | 67 Ų | 67 | 87.9 Ų | 87.9 | 47% | 0.469 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -66.2 | -37.2 | 173 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | M1 L2 I8 S9 | M1-S5 PolarHBondContact O-N 3.11Å; L2-S5 WeakPolarHBondContact CA-OG 3.49Å; L2-S5 PolarHBondContact O-OG 3.41Å; S5-I8 PolarHBondContact O-N 2.74Å; S5-S9 WeakPolarHBondContact O-CB 3.48Å; S5-S9 PolarHBondContact O-N 3.33Å |
| 6 | S | 44.3 | Very low | 43.9 | Very low | 50 Ų | 50 | 91.1 Ų | 91.1 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -68.1 | -38.5 | 173.7 | 58.6 | 0 | 0 | 0 | 0 | 111.9 | L2 L3 S9 L10 | L2-S6 WeakPolarHBondContact O-CB 3.48Å; L2-S6 PolarHBondContact O-N 3.45Å; L2-S6 PolarHBondContact O-OG 3.14Å; L2-S6 VanDerWaalsContact O-OG 3.06Å; L3-S6 WeakPolarHBondContact CA-OG 3.13Å; L3-S6 PolarHBondContact O-OG 3.29Å; S6-S9 PolarHBondContact O-N 3.16Å; S6-L10 WeakPolarHBondContact O-CD1 3.11Å; S6-L10 VanDerWaalsContact O-CG 3.32Å; S6-L10 WeakPolarHBondContact O-CG 3.27Å; S6-L10 PolarHBondContact O-N 2.63Å |
| 7 | S | 45.5 | Very low | 43.4 | Very low | 40 Ų | 40 | 90 Ų | 90 | 28% | 0.28 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -49.2 | 173.2 | -60.5 | 0 | 0 | 0 | 0 | 110.8 | L3 L4 S9 L10 Y11 | L3-S7 WeakPolarHBondContact O-CB 3.38Å; L3-S7 PolarHBondContact O-N 3.16Å; L3-S7 PolarHBondContact O-OG 2.86Å; L4-S7 PolarHBondContact O-N 2.89Å; S7-S9 VanDerWaalsContact C-N 3.3Å; S7-S9 PolarHBondContact O-N 3.36Å; S7-L10 WeakPolarHBondContact O-CB 3.45Å; S7-L10 PolarHBondContact O-N 3.28Å; S7-Y11 WeakPolarHBondContact O-CD2 3.06Å; S7-Y11 PolarHBondContact O-N 3.15Å |
| 8 | I | 48.9 | Very low | 43.5 | Very low | 29 Ų | 29 | 93.4 Ų | 93.4 | 15% | 0.149 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -60.7 | -36.7 | 176.5 | -67.4 | 166.3 | 0 | 0 | 0 | 112 | L4 S5 Y11 K12 E143 | L4-I8 VanDerWaalsContact O-CG1 3.27Å; L4-I8 WeakPolarHBondContact O-CG1 3.38Å; L4-I8 PolarHBondContact O-N 3.09Å; S5-I8 PolarHBondContact O-N 2.74Å; I8-Y11 PolarHBondContact O-N 3.47Å; I8-K12 PolarHBondContact O-N 3.22Å; I8-E143 HydrophobicContact CD1-CG 4.38Å |
| 9 | S | 44.5 | Very low | 43.5 | Very low | 67 Ų | 67 | 95.1 Ų | 95.1 | 47% | 0.469 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 175.1 | -163.1 | 0 | 0 | 0 | 0 | 112.6 | S5 S6 S7 Y11 K12 | S5-S9 WeakPolarHBondContact O-CB 3.48Å; S5-S9 PolarHBondContact O-N 3.33Å; S6-S9 PolarHBondContact O-N 3.16Å; S7-S9 VanDerWaalsContact C-N 3.3Å; S7-S9 PolarHBondContact O-N 3.36Å; S9-Y11 PolarHBondContact O-N 2.79Å; S9-K12 PolarHBondContact O-N 3.44Å; S9-K12 VanDerWaalsContact O-N 3.13Å |
| 10 | L | 42.7 | Very low | 43.3 | Very low | 117 Ų | 117 | 97.9 Ų | 97.9 | 61% | 0.613 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.6 | -22.5 | 174.1 | -74.5 | 160.5 | 0 | 0 | 0 | 112.7 | S6 S7 | S6-L10 WeakPolarHBondContact O-CD1 3.11Å; S6-L10 VanDerWaalsContact O-CG 3.32Å; S6-L10 WeakPolarHBondContact O-CG 3.27Å; S6-L10 PolarHBondContact O-N 2.63Å; S7-L10 WeakPolarHBondContact O-CB 3.45Å; S7-L10 PolarHBondContact O-N 3.28Å |
| 11 | Y | 47.6 | Very low | 43.1 | Very low | 59 Ų | 59 | 97.2 Ų | 97.2 | 23% | 0.231 | 51% | 0.508 | C | S | . | . | H | α-helix | trans | -80.8 | -25.3 | 174.5 | -75.9 | -74.1 | 0 | 0 | 0 | 113.9 | S7 I8 S9 D13 R14 N15 Y294 | S7-Y11 WeakPolarHBondContact O-CD2 3.06Å; S7-Y11 PolarHBondContact O-N 3.15Å; I8-Y11 PolarHBondContact O-N 3.47Å; S9-Y11 PolarHBondContact O-N 2.79Å; Y11-D13 VanDerWaalsContact C-N 3.28Å; Y11-D13 PolarHBondContact O-N 3.21Å; Y11-R14 PolarHBondContact O-N 3.3Å; Y11-N15 PolarHBondContact O-N 2.83Å; Y11-N15 PolarHBondContact O-ND2 3.41Å; Y11-Y294 WeakPolarHBondContact CE2-OH 3.46Å; Y11-Y294 PolarHBondContact OH-OH 2.87Å; Y11-Y294 VanDerWaalsContact OH-OH 3.06Å |
| 12 | K | 46.7 | Very low | 43.3 | Very low | 111 Ų | 111 | 92 Ų | 92 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 173.6 | -76.2 | -174 | 175.1 | -179.1 | 0 | 111 | I8 S9 N15 | I8-K12 PolarHBondContact O-N 3.22Å; S9-K12 PolarHBondContact O-N 3.44Å; S9-K12 VanDerWaalsContact O-N 3.13Å; K12-N15 PolarHBondContact O-N 2.77Å |
| 13 | D | 38.5 | Very low | 43.7 | Very low | 116 Ų | 116 | 93.5 Ų | 93.5 | 62% | 0.62 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -73.7 | -31.5 | -179 | -62.8 | -20.6 | 0 | 0 | 0 | 112.8 | Y11 | Y11-D13 VanDerWaalsContact C-N 3.28Å; Y11-D13 PolarHBondContact O-N 3.21Å |
| 14 | R | 44.6 | Very low | 44.4 | Very low | 174 Ų | 174 | 91.6 Ų | 91.6 | 66% | 0.657 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.2 | -26.1 | 174.5 | -83.6 | -173.8 | 173.3 | -169.9 | -1.6 | 113.7 | Y11 | Y11-R14 PolarHBondContact O-N 3.3Å |
| 15 | N | 45.9 | Very low | 45.3 | Very low | 26 Ų | 26 | 97.9 Ų | 97.9 | 14% | 0.139 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -72.2 | -30 | 178.7 | -75.1 | -14.4 | 0 | 0 | 0 | 112.3 | Y11 K12 L19 | Y11-N15 PolarHBondContact O-N 2.83Å; Y11-N15 PolarHBondContact O-ND2 3.41Å; K12-N15 PolarHBondContact O-N 2.77Å; N15-L19 WeakPolarHBondContact O-CG 3.12Å; N15-L19 PolarHBondContact O-N 3.37Å |
| 16 | E | 39.2 | Very low | 47.1 | Very low | 140 Ų | 140 | 95.3 Ų | 95.3 | 65% | 0.654 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -68.9 | -35.4 | 174.3 | -73.9 | -172.3 | 166.5 | 0 | 0 | 112.8 | R18 | E16-R18 PolarHBondContact O-N 3.37Å |
| 17 | A | 36.1 | Very low | 49.3 | Very low | 72 Ų | 72 | 93.6 Ų | 93.6 | 60% | 0.595 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71.3 | -25.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 18 | R | 44.1 | Very low | 51.6 | Low | 151 Ų | 151 | 93.4 Ų | 93.4 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -86.8 | -23.6 | 177.8 | -91.2 | -175.2 | 171.2 | -176.7 | -4.4 | 114.4 | E16 I20 S21 | E16-R18 PolarHBondContact O-N 3.37Å; R18-I20 PolarHBondContact O-N 3.42Å; R18-S21 PolarHBondContact O-N 3.41Å; R18-S21 VanDerWaalsContact O-N 3.14Å |
| 19 | L | 43.7 | Very low | 53.8 | Low | 126 Ų | 126 | 98.4 Ų | 98.4 | 66% | 0.66 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -16.3 | 174.6 | -82.2 | 160.4 | 0 | 0 | 0 | 112.8 | N15 | N15-L19 WeakPolarHBondContact O-CG 3.12Å; N15-L19 PolarHBondContact O-N 3.37Å |
| 20 | I | 40.1 | Very low | 56.3 | Low | 150 Ų | 150 | 97.9 Ų | 97.9 | 77% | 0.769 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -12 | -177.1 | -55.3 | 176.2 | 0 | 0 | 0 | 112.5 | R18 | R18-I20 PolarHBondContact O-N 3.42Š|
| 21 | S | 38.4 | Very low | 58.9 | Low | 85 Ų | 85 | 92.7 Ų | 92.7 | 59% | 0.594 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -117.1 | 9.5 | -166.8 | 90.7 | 0 | 0 | 0 | 0 | 118.2 | R18 | R18-S21 PolarHBondContact O-N 3.41Å; R18-S21 VanDerWaalsContact O-N 3.14Å |
| 22 | S | 43.4 | Very low | 61.2 | Low | 58 Ų | 58 | 94 Ų | 94 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | trans | -127.6 | 54.1 | -170.9 | 73.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 23 | Q | 46.8 | Very low | 63.6 | Low | 180 Ų | 180 | 94.2 Ų | 94.2 | 84% | 0.841 | 48% | 0.477 | S | S | * | . | trans | -87.6 | 72.5 | 138.3 | -79.9 | -172.1 | -12.8 | 0 | 0 | 107.1 | N25 | Q23-N25 PolarHBondContact O-N 2.82Å; Q23-N25 VanDerWaalsContact O-N 3.16Å | ||
| 24 | N | 54.3 | Low | 66.3 | Low | 85 Ų | 85 | 92.7 Ų | 92.7 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | trans | -71.2 | 107.5 | 165.2 | -88.9 | -13.3 | 0 | 0 | 0 | 106.6 | A26 Y96 | N24-A26 PolarHBondContact O-N 2.8Å; N24-Y96 HydrophobicContact CB-CD1 3.82Å; N24-Y96 HydrophobicContact CB-CE1 4.21Å | ||
| 25 | N | 67.8 | Low | 68.8 | Low | 153 Ų | 153 | 85.9 Ų | 85.9 | 82% | 0.818 | 44% | 0.44 | S | S | * | . | trans | -70 | 62.2 | 179.2 | -71.3 | -19.2 | 0 | 0 | 0 | 111.7 | Q23 | Q23-N25 PolarHBondContact O-N 2.82Å; Q23-N25 VanDerWaalsContact O-N 3.16Å | ||
| 26 | A | 85.4 | Confident | 71.2 | Confident | 13 Ų | 13 | 84.6 Ų | 84.6 | 11% | 0.107 | 43% | 0.433 | C | S | . | . | trans | -87.6 | 137.6 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | N24 D30 F31 Y96 F98 | N24-A26 PolarHBondContact O-N 2.8Å; A26-D30 WeakPolarHBondContact CA-OD2 3.3Å; A26-F31 HydrophobicContact CB-CE2 4.03Å; A26-F31 HydrophobicContact CB-CZ 4.31Å; A26-Y96 HydrophobicContact CB-CD1 3.58Å; A26-Y96 HydrophobicContact CB-CE1 4.3Å; A26-Y96 HydrophobicContact CB-CG 3.95Å; A26-F98 HydrophobicContact CB-CD1 4.2Å; A26-F98 HydrophobicContact CB-CE1 4.32Å; A26-F98 WeakPolarHBondContact O-CB 3.28Å; A26-F98 VanDerWaalsContact O-CD1 3.23Å; A26-F98 WeakPolarHBondContact O-CD1 3.42Å; A26-F98 WeakPolarHBondContact O-CG 3.34Å | ||
| 27 | G | 91.9 | Very high | 73.9 | Confident | 14 Ų | 14 | 78.2 Ų | 78.2 | 14% | 0.144 | 40% | 0.404 | C | S | . | . | trans | -108 | 170.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | E29 D30 F31 | G27-E29 PolarHBondContact O-N 3.33Å; G27-D30 PolarHBondContact N-OD2 2.65Å; G27-D30 PolarHBondContact O-N 3.46Å; G27-F31 VanDerWaalsContact O-CD2 3.24Å; G27-F31 WeakPolarHBondContact O-CD2 3.15Å; G27-F31 WeakPolarHBondContact O-CE2 3.42Å | ||
| 28 | L | 93.6 | Very high | 76.6 | Confident | 36 Ų | 36 | 75.5 Ų | 75.5 | 19% | 0.188 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -64.4 | -33 | 177.6 | -177.2 | 60.5 | 0 | 0 | 0 | 111.5 | D30 F31 M59 F98 Y105 V325 | L28-D30 PolarHBondContact O-N 3.31Å; L28-F31 PolarHBondContact O-N 3.07Å; L28-M59 HydrophobicContact CD1-CE 4.32Å; L28-M59 HydrophobicContact CD1-SD 3.89Å; L28-F98 HydrophobicContact CB-CE2 4.02Å; L28-F98 HydrophobicContact CB-CZ 4.47Å; L28-Y105 HydrophobicContact CD1-CD1 4.14Å; L28-Y105 HydrophobicContact CD1-CE1 3.62Å; L28-Y105 HydrophobicContact CD2-CE1 4.28Å; L28-Y105 HydrophobicContact CG-CE1 4.46Å; L28-V325 HydrophobicContact CD2-CG2 4.32Å |
| 29 | E | 94.8 | Very high | 78.9 | Confident | 133 Ų | 133 | 72.3 Ų | 72.3 | 62% | 0.621 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -65.9 | -19.6 | 179.7 | 65.1 | -82.1 | -166.5 | 0 | 0 | 114.1 | G27 F31 K51 | G27-E29 PolarHBondContact O-N 3.33Å; E29-F31 PolarHBondContact O-N 3.36Å; E29-K51 WeakPolarHBondContact O-CD 3.21Å; E29-K51 VanDerWaalsContact O-CE 3.22Å; E29-K51 WeakPolarHBondContact O-CE 3.36Å; E29-K51 PolarHBondContact O-NZ 3.32Å |
| 30 | D | 96.3 | Very high | 80.7 | Confident | 56 Ų | 56 | 68.7 Ų | 68.7 | 30% | 0.299 | 37% | 0.373 | S | S | . | . | G | 310 helix | trans | -73.4 | -12.5 | 176.2 | -64 | -40 | 0 | 0 | 0 | 112.4 | A26 G27 L28 K51 | A26-D30 WeakPolarHBondContact CA-OD2 3.3Å; G27-D30 PolarHBondContact N-OD2 2.65Å; G27-D30 PolarHBondContact O-N 3.46Å; L28-D30 PolarHBondContact O-N 3.31Å; D30-K51 WeakPolarHBondContact O-CG 3.5Å; D30-K51 PolarHBondContact O-N 3.01Å |
| 31 | F | 97.3 | Very high | 82.7 | Confident | 9 Ų | 9 | 66.5 Ų | 66.5 | 4% | 0.039 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 133.2 | -174 | -59.1 | -86.5 | 0 | 0 | 0 | 112 | A26 G27 L28 E29 V48 K49 H50 Y57 M59 Y96 F98 V107 | A26-F31 HydrophobicContact CB-CE2 4.03Å; A26-F31 HydrophobicContact CB-CZ 4.31Å; G27-F31 VanDerWaalsContact O-CD2 3.24Å; G27-F31 WeakPolarHBondContact O-CD2 3.15Å; G27-F31 WeakPolarHBondContact O-CE2 3.42Å; L28-F31 PolarHBondContact O-N 3.07Å; E29-F31 PolarHBondContact O-N 3.36Å; F31-V48 HydrophobicContact CB-CB 4.09Å; F31-V48 HydrophobicContact CB-CG2 4.24Å; F31-V48 HydrophobicContact CD1-CB 4.41Å; F31-V48 HydrophobicContact CD1-CG2 3.71Å; F31-V48 HydrophobicContact CE1-CG2 4.47Å; F31-V48 HydrophobicContact CG-CG2 4.22Å; F31-K49 CarbonylContact C-O 3.46Å; F31-K49 WeakPolarHBondContact CA-O 3.41Å; F31-H50 HydrophobicContact CD1-CB 3.98Å; F31-H50 HydrophobicContact CE1-CB 3.9Å; F31-H50 AromaticContact CE1-CD2 3.65Å; F31-H50 AromaticContact CZ-CD2 3.85Å; F31-Y57 HydrophobicContact CD1-CD2 4.43Å; F31-Y57 AromaticContact CE1-CD2 3.98Å; F31-Y57 HydrophobicContact CE1-CD2 3.98Å; F31-Y57 HydrophobicContact CE1-CE2 4.3Å; F31-M59 HydrophobicContact CB-CE 3.78Å; F31-M59 HydrophobicContact CD1-CE 4.12Å; F31-M59 HydrophobicContact CD2-CE 3.5Å; F31-M59 VanDerWaalsContact CD2-CE 3.5Å; F31-M59 HydrophobicContact CE2-CE 4.09Å; F31-M59 HydrophobicContact CG-CE 3.52Å; F31-Y96 HydrophobicContact CE1-CD2 4.41Å; F31-Y96 HydrophobicContact CE1-CE2 4.49Å; F31-Y96 AromaticContact CZ-CD2 3.89Å; F31-Y96 HydrophobicContact CZ-CD2 3.89Å; F31-Y96 HydrophobicContact CZ-CE2 4.21Å; F31-Y96 HydrophobicContact CZ-CG 4.27Å; F31-F98 HydrophobicContact CD2-CE1 4.46Å; F31-F98 HydrophobicContact CD2-CZ 4.37Å; F31-F98 AromaticContact CE2-CE1 3.88Å; F31-F98 HydrophobicContact CE2-CE1 3.88Å; F31-F98 HydrophobicContact CE2-CZ 4.24Å; F31-V107 HydrophobicContact CE1-CG1 3.87Å; F31-V107 HydrophobicContact CE2-CG2 4.29Å; F31-V107 HydrophobicContact CZ-CG1 4.06Å; F31-V107 HydrophobicContact CZ-CG2 4.08Å |
| 32 | E | 97.2 | Very high | 84.9 | Confident | 86 Ų | 86 | 64.4 Ų | 64.4 | 40% | 0.402 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 121.2 | 166.8 | -166 | -163 | 164 | 0 | 0 | 109.4 | K34 V48 K49 K51 | E32-K34 VanDerWaalsContact CD-CE 3.45Å; E32-K34 IonicContact OE1-NZ 2.68Å; E32-K34 PolarHBondContact OE1-NZ 3.2Å; E32-K34 VanDerWaalsContact OE2-CE 3.22Å; E32-K34 WeakPolarHBondContact OE2-CE 3.29Å; E32-K34 IonicContact OE2-NZ 3.23Å; E32-K34 PolarHBondContact OE2-NZ 3.49Å; E32-V48 CarbonylContact O-C 3.58Å; E32-V48 VanDerWaalsContact O-CA 3.27Å; E32-V48 WeakPolarHBondContact O-CA 3.26Å; E32-K49 HydrophobicContact CB-CB 4.45Å; E32-K49 PolarHBondContact N-O 3.33Å; E32-K49 PolarHBondContact O-N 3.39Å; E32-K51 HydrophobicContact CB-CG 4.44Å |
| 33 | R | 95.7 | Very high | 87.1 | Confident | 116 Ų | 116 | 62.7 Ų | 62.7 | 44% | 0.438 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 137.7 | 178.9 | -59 | 172.8 | -62.7 | -176.7 | 1.9 | 110.2 | M46 V48 | R33-M46 HydrophobicContact CB-CE 4.23Å; R33-V48 HydrophobicContact CG-CG1 4.44Å |
| 34 | K | 96.1 | Very high | 89.4 | Confident | 83 Ų | 83 | 55.1 Ų | 55.1 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | -70 | -177.2 | -61.2 | -63.9 | -175.5 | 180 | 0 | 113 | E32 L47 Y56 | E32-K34 VanDerWaalsContact CD-CE 3.45Å; E32-K34 IonicContact OE1-NZ 2.68Å; E32-K34 PolarHBondContact OE1-NZ 3.2Å; E32-K34 VanDerWaalsContact OE2-CE 3.22Å; E32-K34 WeakPolarHBondContact OE2-CE 3.29Å; E32-K34 IonicContact OE2-NZ 3.23Å; E32-K34 PolarHBondContact OE2-NZ 3.49Å; K34-L47 HydrophobicContact CB-CB 4.25Å; K34-L47 HydrophobicContact CB-CD2 4.08Å; K34-L47 HydrophobicContact CB-CG 4.12Å; K34-L47 WeakPolarHBondContact CB-O 3.47Å; K34-L47 PolarHBondContact N-O 2.75Å; K34-Y56 HydrophobicContact CG-CE1 4.37Å |
| 35 | K | 96.6 | Very high | 91.4 | Very high | 31 Ų | 31 | 52.9 Ų | 52.9 | 14% | 0.135 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.3 | 146 | -173.5 | -168.1 | -167.1 | 174.9 | -174.1 | 0 | 110.1 | M46 L47 T312 D316 D317 E320 | K35-M46 CarbonylContact O-C 3.55Å; K35-M46 WeakPolarHBondContact O-CA 3.5Å; K35-L47 PolarHBondContact O-N 2.79Å; K35-T312 HydrophobicContact CB-CG2 4.34Å; K35-T312 HydrophobicContact CD-CG2 3.97Å; K35-T312 VanDerWaalsContact CD-OG1 3.26Å; K35-T312 WeakPolarHBondContact CD-OG1 3.27Å; K35-D316 PolarHBondContact NZ-O 3.38Å; K35-D317 WeakPolarHBondContact CE-OD1 3.45Å; K35-D317 IonicContact NZ-OD1 3.55Å; K35-D317 PolarHBondContact NZ-OD1 2.91Å; K35-E320 WeakPolarHBondContact CA-OE1 3.34Å; K35-E320 WeakPolarHBondContact CG-OE1 3.27Å |
| 36 | T | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 126.6 | 166.4 | -63.7 | 0 | 0 | 0 | 0 | 110.9 | T39 R44 Y318 E320 | T36-T39 HydrophobicContact CG2-CG2 3.92Å; T36-R44 PolarHBondContact OG1-NE 3.37Å; T36-R44 PolarHBondContact OG1-NH2 3.5Å; T36-Y318 HydrophobicContact CG2-CD2 4.31Å; T36-Y318 HydrophobicContact CG2-CG 4.14Å; T36-E320 WeakPolarHBondContact CB-OE2 3.46Å; T36-E320 PolarHBondContact N-OE1 3.07Å; T36-E320 PolarHBondContact N-OE2 2.8Å; T36-E320 PolarHBondContact OG1-OE2 2.67Å |
| 37 | L | 95.6 | Very high | 93.4 | Very high | 6 Ų | 6 | 45.6 Ų | 45.6 | 3% | 0.031 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | -23.3 | 179 | -62 | 176 | 0 | 0 | 0 | 112.4 | V45 L47 A58 Y110 T312 F315 Y318 | L37-V45 HydrophobicContact CB-CG1 4.38Å; L37-V45 HydrophobicContact CD1-CG1 4.36Å; L37-V45 PolarHBondContact N-O 2.75Å; L37-L47 HydrophobicContact CD1-CB 4.02Å; L37-L47 HydrophobicContact CD2-CB 4.07Å; L37-L47 HydrophobicContact CG-CB 4.02Å; L37-A58 HydrophobicContact CD1-CB 4.24Å; L37-Y110 HydrophobicContact CD1-CD2 3.82Å; L37-Y110 HydrophobicContact CD1-CE2 3.58Å; L37-Y110 HydrophobicContact CD2-CE2 4.12Å; L37-T312 HydrophobicContact CD2-CG2 3.83Å; L37-F315 HydrophobicContact CB-CD1 3.98Å; L37-F315 HydrophobicContact CB-CE1 4.27Å; L37-F315 HydrophobicContact CB-CG 4.48Å; L37-F315 HydrophobicContact CD2-CB 4.19Å; L37-F315 HydrophobicContact CD2-CD1 4.11Å; L37-F315 HydrophobicContact CD2-CD2 3.94Å; L37-F315 HydrophobicContact CD2-CE2 4.36Å; L37-F315 HydrophobicContact CD2-CG 3.81Å; L37-Y318 WeakPolarHBondContact O-CE2 3.4Å |
| 38 | G | 93.1 | Very high | 93.7 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 14% | 0.144 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | 156.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R44 V45 | G38-R44 WeakPolarHBondContact O-CA 3.28Å; G38-V45 PolarHBondContact N-O 2.76Å; G38-V45 PolarHBondContact O-N 3.06Å |
| 39 | T | 91.1 | Very high | 93.9 | Very high | 84 Ų | 84 | 44.7 Ų | 44.7 | 52% | 0.515 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 143.3 | 177 | 59.1 | 0 | 0 | 0 | 0 | 110.3 | T36 R44 Y318 | T36-T39 HydrophobicContact CG2-CG2 3.92Å; T39-R44 HydrophobicContact CG2-CB 4.35Å; T39-Y318 HydrophobicContact CG2-CD1 3.94Å; T39-Y318 HydrophobicContact CG2-CG 4.33Å |
| 40 | G | 83.3 | Confident | 94.1 | Very high | 50 Ų | 50 | 39.5 Ų | 39.5 | 52% | 0.515 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 176 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | F42 G43 | G40-F42 PolarHBondContact O-N 3.05Å; G40-F42 VanDerWaalsContact O-N 3.1Å; G40-G43 CarbonylContact C-O 3.59Å; G40-G43 PolarHBondContact N-O 2.86Å; G40-G43 VanDerWaalsContact O-O 3.07Å |
| 41 | S | 80.4 | Confident | 94.1 | Very high | 105 Ų | 105 | 42.6 Ų | 42.6 | 73% | 0.734 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -23.5 | -172.7 | -47.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 42 | F | 86.2 | Confident | 94 | Very high | 40 Ų | 40 | 46.3 Ų | 46.3 | 18% | 0.175 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.6 | 8.8 | -176.5 | 49.7 | -88.8 | 0 | 0 | 0 | 113.9 | G40 L62 D63 K66 V67 L70 Q72 | G40-F42 PolarHBondContact O-N 3.05Å; G40-F42 VanDerWaalsContact O-N 3.1Å; F42-L62 HydrophobicContact CD2-CD1 4.45Å; F42-L62 HydrophobicContact CD2-CD2 3.68Å; F42-L62 HydrophobicContact CD2-CG 4.45Å; F42-L62 HydrophobicContact CE2-CD1 4.2Å; F42-L62 HydrophobicContact CE2-CD2 3.73Å; F42-D63 PolarHBondContact O-N 3.36Å; F42-K66 HydrophobicContact CB-CB 4.19Å; F42-V67 HydrophobicContact CB-CG2 4.29Å; F42-V67 HydrophobicContact CD2-CG2 3.83Å; F42-V67 HydrophobicContact CG-CG2 4.37Å; F42-L70 HydrophobicContact CB-CD1 4.1Å; F42-L70 HydrophobicContact CD1-CD1 4.43Å; F42-Q72 HydrophobicContact CD1-CG 4.37Å; F42-Q72 HydrophobicContact CE1-CG 4.26Å |
| 43 | G | 88.9 | Confident | 93.9 | Very high | 22 Ų | 22 | 45.5 Ų | 45.5 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -172.8 | -175 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | G40 I61 | G40-G43 CarbonylContact C-O 3.59Å; G40-G43 PolarHBondContact N-O 2.86Å; G40-G43 VanDerWaalsContact O-O 3.07Å; G43-I61 CarbonylContact C-O 3.59Å; G43-I61 WeakPolarHBondContact CA-O 2.91Å |
| 44 | R | 94.5 | Very high | 93.9 | Very high | 21 Ų | 21 | 44.8 Ų | 44.8 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 160.4 | 176.9 | 74.4 | -169.5 | -51.9 | 144.1 | 7.6 | 110.2 | T36 G38 T39 M46 K60 I61 E319 E320 E321 | T36-R44 PolarHBondContact OG1-NE 3.37Å; T36-R44 PolarHBondContact OG1-NH2 3.5Å; G38-R44 WeakPolarHBondContact O-CA 3.28Å; T39-R44 HydrophobicContact CG2-CB 4.35Å; R44-M46 HydrophobicContact CG-CG 3.98Å; R44-M46 HydrophobicContact CG-SD 4.41Å; R44-K60 CarbonylContact O-C 3.51Å; R44-K60 WeakPolarHBondContact O-CA 3.31Å; R44-I61 HydrophobicContact CG-CB 4.37Å; R44-I61 HydrophobicContact CG-CD1 4.03Å; R44-I61 PolarHBondContact N-O 3.23Å; R44-I61 PolarHBondContact O-N 3.13Å; R44-E319 PolarHBondContact NH2-O 3.32Å; R44-E320 IonicContact NH2-OE2 3.51Å; R44-E321 VanDerWaalsContact NH1-CG 3.31Å; R44-E321 IonicContact NH1-OE2 2.71Å |
| 45 | V | 96.8 | Very high | 93.9 | Very high | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.236 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 127 | 170.3 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | L37 G38 A58 M59 K60 | L37-V45 HydrophobicContact CB-CG1 4.38Å; L37-V45 HydrophobicContact CD1-CG1 4.36Å; L37-V45 PolarHBondContact N-O 2.75Å; G38-V45 PolarHBondContact N-O 2.76Å; G38-V45 PolarHBondContact O-N 3.06Å; V45-A58 HydrophobicContact CG1-CB 3.94Å; V45-M59 CarbonylContact C-O 3.58Å; V45-M59 WeakPolarHBondContact CA-O 3.43Å; V45-K60 HydrophobicContact CG2-CB 4.19Å; V45-K60 HydrophobicContact CG2-CG 4.19Å |
| 46 | M | 97.5 | Very high | 94 | Very high | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.044 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140 | 178.2 | -63.7 | -174.3 | 79.3 | 0 | 0 | 111 | R33 K35 R44 V48 A58 M59 I61 I323 | R33-M46 HydrophobicContact CB-CE 4.23Å; K35-M46 CarbonylContact O-C 3.55Å; K35-M46 WeakPolarHBondContact O-CA 3.5Å; R44-M46 HydrophobicContact CG-CG 3.98Å; R44-M46 HydrophobicContact CG-SD 4.41Å; M46-V48 HydrophobicContact CB-CG1 4.33Å; M46-V48 PolarHBondContact O-N 2.82Å; M46-A58 CarbonylContact O-C 3.5Å; M46-M59 PolarHBondContact N-O 3.19Å; M46-M59 PolarHBondContact O-N 2.96Å; M46-I61 HydrophobicContact CB-CD1 4.21Å; M46-I61 HydrophobicContact CG-CD1 3.77Å; M46-I61 HydrophobicContact SD-CD1 3.57Å; M46-I61 VanDerWaalsContact SD-CD1 3.57Å; M46-I323 HydrophobicContact SD-CD1 3.81Å; M46-I323 HydrophobicContact SD-CG1 4.19Å |
| 47 | L | 98.1 | Very high | 94.1 | Very high | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.3 | 126.1 | 160.5 | -177.2 | 67 | 0 | 0 | 0 | 108.1 | K34 K35 L37 Y56 Y57 Y110 T312 | K34-L47 HydrophobicContact CB-CB 4.25Å; K34-L47 HydrophobicContact CB-CD2 4.08Å; K34-L47 HydrophobicContact CB-CG 4.12Å; K34-L47 WeakPolarHBondContact CB-O 3.47Å; K34-L47 PolarHBondContact N-O 2.75Å; K35-L47 PolarHBondContact O-N 2.79Å; L37-L47 HydrophobicContact CD1-CB 4.02Å; L37-L47 HydrophobicContact CD2-CB 4.07Å; L37-L47 HydrophobicContact CG-CB 4.02Å; L47-Y56 HydrophobicContact CD1-CD1 3.8Å; L47-Y56 HydrophobicContact CD1-CG 4.36Å; L47-Y56 HydrophobicContact CD2-CD1 4.02Å; L47-Y56 HydrophobicContact CD2-CE1 4.28Å; L47-Y56 HydrophobicContact CG-CD1 3.97Å; L47-Y57 WeakPolarHBondContact CA-O 3.39Å; L47-Y110 HydrophobicContact CD1-CD1 3.64Å; L47-Y110 HydrophobicContact CD1-CD2 3.84Å; L47-Y110 HydrophobicContact CD1-CE1 3.8Å; L47-Y110 HydrophobicContact CD1-CE2 4.03Å; L47-Y110 HydrophobicContact CD1-CG 3.65Å; L47-T312 HydrophobicContact CB-CG2 4.48Å; L47-T312 HydrophobicContact CD2-CG2 3.47Å; L47-T312 VanDerWaalsContact CD2-CG2 3.47Å |
| 48 | V | 98.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 155.1 | 174.2 | -57.3 | 0 | 0 | 0 | 0 | 110 | F31 E32 R33 M46 Y56 Y57 M59 | F31-V48 HydrophobicContact CB-CB 4.09Å; F31-V48 HydrophobicContact CB-CG2 4.24Å; F31-V48 HydrophobicContact CD1-CB 4.41Å; F31-V48 HydrophobicContact CD1-CG2 3.71Å; F31-V48 HydrophobicContact CE1-CG2 4.47Å; F31-V48 HydrophobicContact CG-CG2 4.22Å; E32-V48 CarbonylContact O-C 3.58Å; E32-V48 VanDerWaalsContact O-CA 3.27Å; E32-V48 WeakPolarHBondContact O-CA 3.26Å; R33-V48 HydrophobicContact CG-CG1 4.44Å; M46-V48 HydrophobicContact CB-CG1 4.33Å; M46-V48 PolarHBondContact O-N 2.82Å; V48-Y56 CarbonylContact O-C 3.59Å; V48-Y56 WeakPolarHBondContact O-CA 3.23Å; V48-Y57 PolarHBondContact N-O 2.83Å; V48-Y57 PolarHBondContact O-N 2.92Å; V48-M59 HydrophobicContact CB-CE 4.44Å; V48-M59 HydrophobicContact CG1-CB 3.75Å; V48-M59 HydrophobicContact CG1-CE 4.07Å; V48-M59 HydrophobicContact CG1-SD 4.1Å; V48-M59 HydrophobicContact CG2-CB 3.91Å; V48-M59 HydrophobicContact CG2-CE 3.97Å |
| 49 | K | 98.1 | Very high | 94.4 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 14% | 0.139 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 123.2 | 174.5 | -166.6 | -175 | -167.9 | -173.1 | 0 | 109 | F31 E32 K51 E54 Q55 Y56 | F31-K49 CarbonylContact C-O 3.46Å; F31-K49 WeakPolarHBondContact CA-O 3.41Å; E32-K49 HydrophobicContact CB-CB 4.45Å; E32-K49 PolarHBondContact N-O 3.33Å; E32-K49 PolarHBondContact O-N 3.39Å; K49-K51 PolarHBondContact O-N 3.41Å; K49-E54 VanDerWaalsContact CE-CD 3.5Å; K49-E54 WeakPolarHBondContact CE-O 3.42Å; K49-E54 VanDerWaalsContact CE-OE2 3.22Å; K49-E54 WeakPolarHBondContact CE-OE2 3.38Å; K49-E54 VanDerWaalsContact NZ-CD 3.34Å; K49-E54 IonicContact NZ-OE1 3.55Å; K49-E54 IonicContact NZ-OE2 3.65Å; K49-E54 PolarHBondContact NZ-OE2 3.47Å; K49-Q55 CarbonylContact C-O 3.59Å; K49-Q55 WeakPolarHBondContact CA-O 3.41Å; K49-Y56 HydrophobicContact CB-CD1 4.18Å; K49-Y56 HydrophobicContact CB-CE1 4.07Å; K49-Y56 HydrophobicContact CD-CE1 4.22Å; K49-Y56 HydrophobicContact CD-CE2 4.32Å; K49-Y56 HydrophobicContact CG-CD1 4.36Å; K49-Y56 HydrophobicContact CG-CE1 4.16Å; K49-Y56 HydrophobicContact CG-CE2 4.4Å |
| 50 | H | 97.6 | Very high | 94.7 | Very high | 23 Ų | 23 | 44.3 Ų | 44.3 | 11% | 0.106 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 123.7 | 175.9 | -177.8 | -104.1 | 0 | 0 | 0 | 109.9 | F31 A52 T53 E54 Q55 Y57 | F31-H50 HydrophobicContact CD1-CB 3.98Å; F31-H50 HydrophobicContact CE1-CB 3.9Å; F31-H50 AromaticContact CE1-CD2 3.65Å; F31-H50 AromaticContact CZ-CD2 3.85Å; H50-A52 VanDerWaalsContact C-N 3.31Å; H50-A52 PolarHBondContact O-N 3.41Å; H50-T53 PolarHBondContact ND1-N 2.85Å; H50-T53 PolarHBondContact ND1-OG1 2.98Å; H50-T53 PolarHBondContact O-N 2.96Å; H50-E54 VanDerWaalsContact O-CA 3.28Å; H50-E54 WeakPolarHBondContact O-CA 3.24Å; H50-E54 PolarHBondContact O-N 3.26Å; H50-Q55 PolarHBondContact N-O 3.46Å; H50-Y57 HydrophobicContact CB-CD2 4.12Å; H50-Y57 HydrophobicContact CB-CE2 3.6Å |
| 51 | K | 97.3 | Very high | 95.4 | Very high | 121 Ų | 121 | 42.3 Ų | 42.3 | 53% | 0.526 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -31.1 | -167.5 | -68.6 | 174.8 | -179.6 | 173.2 | 0 | 113.9 | E29 D30 E32 K49 | E29-K51 WeakPolarHBondContact O-CD 3.21Å; E29-K51 VanDerWaalsContact O-CE 3.22Å; E29-K51 WeakPolarHBondContact O-CE 3.36Å; E29-K51 PolarHBondContact O-NZ 3.32Å; D30-K51 WeakPolarHBondContact O-CG 3.5Å; D30-K51 PolarHBondContact O-N 3.01Å; E32-K51 HydrophobicContact CB-CG 4.44Å; K49-K51 PolarHBondContact O-N 3.41Å |
| 52 | A | 95.2 | Very high | 96.1 | Very high | 88 Ų | 88 | 37.4 Ų | 37.4 | 73% | 0.727 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.6 | -35.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H50 | H50-A52 VanDerWaalsContact C-N 3.31Å; H50-A52 PolarHBondContact O-N 3.41Å |
| 53 | T | 95.4 | Very high | 96.6 | Very high | 68 Ų | 68 | 37.6 Ų | 37.6 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -9.5 | -175 | 60.4 | 0 | 0 | 0 | 0 | 113 | H50 Q55 | H50-T53 PolarHBondContact ND1-N 2.85Å; H50-T53 PolarHBondContact ND1-OG1 2.98Å; H50-T53 PolarHBondContact O-N 2.96Å; T53-Q55 PolarHBondContact O-N 3.02Å |
| 54 | E | 95.8 | Very high | 97 | Very high | 101 Ų | 101 | 36.6 Ų | 36.6 | 47% | 0.472 | 19% | 0.191 | S | C | . | . | trans | 58.4 | 13.1 | -174.7 | -61.2 | -73.3 | 90.1 | 0 | 0 | 113.9 | K49 H50 | K49-E54 VanDerWaalsContact CE-CD 3.5Å; K49-E54 WeakPolarHBondContact CE-O 3.42Å; K49-E54 VanDerWaalsContact CE-OE2 3.22Å; K49-E54 WeakPolarHBondContact CE-OE2 3.38Å; K49-E54 VanDerWaalsContact NZ-CD 3.34Å; K49-E54 IonicContact NZ-OE1 3.55Å; K49-E54 IonicContact NZ-OE2 3.65Å; K49-E54 PolarHBondContact NZ-OE2 3.47Å; H50-E54 VanDerWaalsContact O-CA 3.28Å; H50-E54 WeakPolarHBondContact O-CA 3.24Å; H50-E54 PolarHBondContact O-N 3.26Å | ||
| 55 | Q | 96.3 | Very high | 97.1 | Very high | 108 Ų | 108 | 40.8 Ų | 40.8 | 51% | 0.505 | 21% | 0.212 | S | C | . | . | trans | -79.6 | 142.9 | 179.4 | -71.8 | -173.8 | 1.3 | 0 | 0 | 111.5 | K49 H50 T53 Y57 | K49-Q55 CarbonylContact C-O 3.59Å; K49-Q55 WeakPolarHBondContact CA-O 3.41Å; H50-Q55 PolarHBondContact N-O 3.46Å; T53-Q55 PolarHBondContact O-N 3.02Å; Q55-Y57 HydrophobicContact CB-CE2 3.7Å; Q55-Y57 WeakPolarHBondContact O-CD2 3.43Å; Q55-Y57 WeakPolarHBondContact O-CE2 3.1Å; Q55-Y57 PolarHBondContact OE1-OH 3.41Å | ||
| 56 | Y | 97.8 | Very high | 97.1 | Very high | 59 Ų | 59 | 43.9 Ų | 43.9 | 23% | 0.231 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 139.1 | 177.3 | -71.4 | -89.2 | 0 | 0 | 0 | 111.5 | K34 L47 V48 K49 | K34-Y56 HydrophobicContact CG-CE1 4.37Å; L47-Y56 HydrophobicContact CD1-CD1 3.8Å; L47-Y56 HydrophobicContact CD1-CG 4.36Å; L47-Y56 HydrophobicContact CD2-CD1 4.02Å; L47-Y56 HydrophobicContact CD2-CE1 4.28Å; L47-Y56 HydrophobicContact CG-CD1 3.97Å; V48-Y56 CarbonylContact O-C 3.59Å; V48-Y56 WeakPolarHBondContact O-CA 3.23Å; K49-Y56 HydrophobicContact CB-CD1 4.18Å; K49-Y56 HydrophobicContact CB-CE1 4.07Å; K49-Y56 HydrophobicContact CD-CE1 4.22Å; K49-Y56 HydrophobicContact CD-CE2 4.32Å; K49-Y56 HydrophobicContact CG-CD1 4.36Å; K49-Y56 HydrophobicContact CG-CE1 4.16Å; K49-Y56 HydrophobicContact CG-CE2 4.4Å |
| 57 | Y | 98.3 | Very high | 97 | Very high | 10 Ų | 10 | 43.5 Ų | 43.5 | 4% | 0.039 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 159.2 | 179.2 | -59.3 | -84.9 | 0 | 0 | 0 | 111.1 | F31 L47 V48 H50 Q55 E95 Y96 V107 M108 | F31-Y57 HydrophobicContact CD1-CD2 4.43Å; F31-Y57 AromaticContact CE1-CD2 3.98Å; F31-Y57 HydrophobicContact CE1-CD2 3.98Å; F31-Y57 HydrophobicContact CE1-CE2 4.3Å; L47-Y57 WeakPolarHBondContact CA-O 3.39Å; V48-Y57 PolarHBondContact N-O 2.83Å; V48-Y57 PolarHBondContact O-N 2.92Å; H50-Y57 HydrophobicContact CB-CD2 4.12Å; H50-Y57 HydrophobicContact CB-CE2 3.6Å; Q55-Y57 HydrophobicContact CB-CE2 3.7Å; Q55-Y57 WeakPolarHBondContact O-CD2 3.43Å; Q55-Y57 WeakPolarHBondContact O-CE2 3.1Å; Q55-Y57 PolarHBondContact OE1-OH 3.41Å; Y57-E95 HydrophobicContact CD1-CB 4.45Å; Y57-E95 HydrophobicContact CD1-CG 4.32Å; Y57-E95 HydrophobicContact CE1-CB 4.11Å; Y57-E95 HydrophobicContact CE1-CG 3.96Å; Y57-Y96 HydrophobicContact CE1-CE2 4.1Å; Y57-Y96 HydrophobicContact CE2-CE2 4.39Å; Y57-Y96 AromaticContact CZ-CE2 3.91Å; Y57-V107 VanDerWaalsContact CB-CG1 3.43Å; Y57-V107 HydrophobicContact CD1-CG1 3.99Å; Y57-V107 HydrophobicContact CD2-CG1 4.28Å; Y57-V107 HydrophobicContact CG-CG1 3.65Å; Y57-M108 WeakPolarHBondContact CA-O 2.92Å; Y57-M108 WeakPolarHBondContact CB-O 3.43Å |
| 58 | A | 98.2 | Very high | 96.9 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 9% | 0.091 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 109.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | L37 V45 M46 M108 Y110 | L37-A58 HydrophobicContact CD1-CB 4.24Å; V45-A58 HydrophobicContact CG1-CB 3.94Å; M46-A58 CarbonylContact O-C 3.5Å; A58-M108 PolarHBondContact N-O 2.8Å; A58-M108 PolarHBondContact O-N 2.76Å; A58-Y110 HydrophobicContact CB-CD2 4.45Å |
| 59 | M | 97.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 109.8 | 179 | -174.5 | -176.8 | -74.5 | 0 | 0 | 110.3 | L28 F31 V45 M46 V48 I61 F98 Y105 M106 V107 | L28-M59 HydrophobicContact CD1-CE 4.32Å; L28-M59 HydrophobicContact CD1-SD 3.89Å; F31-M59 HydrophobicContact CB-CE 3.78Å; F31-M59 HydrophobicContact CD1-CE 4.12Å; F31-M59 HydrophobicContact CD2-CE 3.5Å; F31-M59 VanDerWaalsContact CD2-CE 3.5Å; F31-M59 HydrophobicContact CE2-CE 4.09Å; F31-M59 HydrophobicContact CG-CE 3.52Å; V45-M59 CarbonylContact C-O 3.58Å; V45-M59 WeakPolarHBondContact CA-O 3.43Å; M46-M59 PolarHBondContact N-O 3.19Å; M46-M59 PolarHBondContact O-N 2.96Å; V48-M59 HydrophobicContact CB-CE 4.44Å; V48-M59 HydrophobicContact CG1-CB 3.75Å; V48-M59 HydrophobicContact CG1-CE 4.07Å; V48-M59 HydrophobicContact CG1-SD 4.1Å; V48-M59 HydrophobicContact CG2-CB 3.91Å; V48-M59 HydrophobicContact CG2-CE 3.97Å; M59-I61 HydrophobicContact CG-CD1 4.46Å; M59-I61 HydrophobicContact CG-CG1 3.9Å; M59-I61 HydrophobicContact SD-CD1 4.4Å; M59-I61 HydrophobicContact SD-CG1 4.09Å; M59-F98 HydrophobicContact CE-CZ 4.06Å; M59-Y105 HydrophobicContact CG-CD1 4.19Å; M59-Y105 HydrophobicContact SD-CD1 3.71Å; M59-Y105 HydrophobicContact SD-CE1 4.29Å; M59-M106 WeakPolarHBondContact CA-O 3.27Å; M59-V107 HydrophobicContact CE-CG2 3.75Å; M59-V107 HydrophobicContact CG-CG2 4.11Å |
| 60 | K | 97.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 56.4 Ų | 56.4 | 8% | 0.083 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 121.5 | 169.1 | -173.1 | 167.9 | -179.1 | 179.3 | 0 | 108.7 | R44 V45 L62 E79 Y105 M106 M108 D172 | R44-K60 CarbonylContact O-C 3.51Å; R44-K60 WeakPolarHBondContact O-CA 3.31Å; V45-K60 HydrophobicContact CG2-CB 4.19Å; V45-K60 HydrophobicContact CG2-CG 4.19Å; K60-L62 HydrophobicContact CD-CD2 4.45Å; K60-L62 HydrophobicContact CG-CD2 3.89Å; K60-L62 HydrophobicContact CG-CG 4.36Å; K60-E79 VanDerWaalsContact NZ-CD 3.32Å; K60-E79 IonicContact NZ-OE1 3.18Å; K60-E79 PolarHBondContact NZ-OE1 2.81Å; K60-E79 IonicContact NZ-OE2 2.9Å; K60-E79 PolarHBondContact NZ-OE2 2.94Å; K60-E79 VanDerWaalsContact NZ-OE2 3.16Å; K60-Y105 WeakPolarHBondContact O-CA 3.32Å; K60-M106 HydrophobicContact CB-CB 4.35Å; K60-M106 HydrophobicContact CD-CE 3.87Å; K60-M106 HydrophobicContact CG-CE 4.19Å; K60-M106 PolarHBondContact N-O 3.11Å; K60-M106 PolarHBondContact O-N 2.98Å; K60-M108 HydrophobicContact CB-CE 3.75Å; K60-D172 IonicContact NZ-OD1 3.09Å; K60-D172 PolarHBondContact NZ-OD1 3.17Å |
| 61 | I | 97.2 | Very high | 96.3 | Very high | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.041 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 119.8 | -175.8 | -55.5 | 146.3 | 0 | 0 | 0 | 107.6 | G43 R44 M46 M59 N103 L104 Y105 I323 | G43-I61 CarbonylContact C-O 3.59Å; G43-I61 WeakPolarHBondContact CA-O 2.91Å; R44-I61 HydrophobicContact CG-CB 4.37Å; R44-I61 HydrophobicContact CG-CD1 4.03Å; R44-I61 PolarHBondContact N-O 3.23Å; R44-I61 PolarHBondContact O-N 3.13Å; M46-I61 HydrophobicContact CB-CD1 4.21Å; M46-I61 HydrophobicContact CG-CD1 3.77Å; M46-I61 HydrophobicContact SD-CD1 3.57Å; M46-I61 VanDerWaalsContact SD-CD1 3.57Å; M59-I61 HydrophobicContact CG-CD1 4.46Å; M59-I61 HydrophobicContact CG-CG1 3.9Å; M59-I61 HydrophobicContact SD-CD1 4.4Å; M59-I61 HydrophobicContact SD-CG1 4.09Å; I61-N103 HydrophobicContact CG2-CB 4.14Å; I61-L104 WeakPolarHBondContact CA-O 3.43Å; I61-Y105 HydrophobicContact CB-CD1 4.42Å; I61-Y105 HydrophobicContact CB-CE1 4.36Å; I61-Y105 HydrophobicContact CG1-CD1 3.85Å; I61-Y105 HydrophobicContact CG1-CE1 3.91Å; I61-Y105 HydrophobicContact CG2-CD1 4.2Å; I61-Y105 HydrophobicContact CG2-CE1 3.72Å; I61-I323 HydrophobicContact CD1-CD1 3.33Å; I61-I323 HydrophobicContact CD1-CG1 4.14Å; I61-I323 HydrophobicContact CG1-CD1 4.23Å; I61-I323 HydrophobicContact CG2-CG2 4.27Å |
| 62 | L | 96.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.4 | -176.7 | -52 | 179.6 | 0 | 0 | 0 | 110.4 | F42 K60 K64 V67 T76 N103 L104 M106 | F42-L62 HydrophobicContact CD2-CD1 4.45Å; F42-L62 HydrophobicContact CD2-CD2 3.68Å; F42-L62 HydrophobicContact CD2-CG 4.45Å; F42-L62 HydrophobicContact CE2-CD1 4.2Å; F42-L62 HydrophobicContact CE2-CD2 3.73Å; K60-L62 HydrophobicContact CD-CD2 4.45Å; K60-L62 HydrophobicContact CG-CD2 3.89Å; K60-L62 HydrophobicContact CG-CG 4.36Å; L62-K64 PolarHBondContact O-N 3.3Å; L62-V67 HydrophobicContact CB-CG2 4.07Å; L62-T76 HydrophobicContact CD1-CG2 3.54Å; L62-N103 CarbonylContact O-C 3.53Å; L62-N103 WeakPolarHBondContact O-CA 3.5Å; L62-L104 HydrophobicContact CB-CB 4.28Å; L62-L104 PolarHBondContact N-O 3.06Å; L62-L104 PolarHBondContact O-N 3.42Å; L62-M106 HydrophobicContact CD1-CE 3.72Å; L62-M106 HydrophobicContact CG-CE 4.46Å |
| 63 | D | 96.6 | Very high | 96.1 | Very high | 44 Ų | 44 | 58.2 Ų | 58.2 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 118.2 | 175.6 | 174.6 | -40.1 | 0 | 0 | 0 | 109.4 | F42 Q65 K66 V67 | F42-D63 PolarHBondContact O-N 3.36Å; D63-Q65 VanDerWaalsContact C-N 3.3Å; D63-Q65 PolarHBondContact O-N 2.94Å; D63-Q65 WeakPolarHBondContact OD1-CA 3.33Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.31Å; D63-Q65 PolarHBondContact OD1-N 3.21Å; D63-K66 HydrophobicContact CB-CB 3.98Å; D63-K66 HydrophobicContact CB-CD 3.95Å; D63-K66 HydrophobicContact CB-CG 3.96Å; D63-K66 PolarHBondContact O-N 3.36Å; D63-K66 PolarHBondContact OD1-N 2.88Å; D63-V67 VanDerWaalsContact O-CG2 3.3Å; D63-V67 WeakPolarHBondContact O-CG2 3.47Å; D63-V67 PolarHBondContact O-N 3.42Å |
| 64 | K | 97.4 | Very high | 96 | Very high | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -57.5 | -41.5 | -176.4 | -71.1 | -178.4 | -170.8 | -176.4 | 0 | 112.4 | L62 V67 V68 D100 S102 N103 L104 K330 C331 F335 | L62-K64 PolarHBondContact O-N 3.3Å; K64-V67 PolarHBondContact O-N 3.18Å; K64-V68 WeakPolarHBondContact O-CG2 3.32Å; K64-V68 PolarHBondContact O-N 3.31Å; K64-D100 WeakPolarHBondContact CE-O 3.45Å; K64-D100 PolarHBondContact NZ-O 3.03Å; K64-S102 WeakPolarHBondContact CB-O 3.19Å; K64-S102 VanDerWaalsContact CG-O 3.31Å; K64-S102 WeakPolarHBondContact CG-O 3.29Å; K64-S102 PolarHBondContact N-O 3.49Å; K64-N103 WeakPolarHBondContact CE-O 3.44Å; K64-L104 HydrophobicContact CD-CD2 4.27Å; K64-L104 HydrophobicContact CG-CD1 4.48Å; K64-L104 HydrophobicContact CG-CD2 3.96Å; K64-L104 HydrophobicContact CG-CG 3.87Å; K64-K330 WeakPolarHBondContact CD-O 3.11Å; K64-K330 PolarHBondContact NZ-O 2.91Å; K64-C331 HydrophobicContact CB-CB 4.03Å; K64-C331 HydrophobicContact CD-CB 4.37Å; K64-F335 HydrophobicContact CB-CD2 4.02Å; K64-F335 HydrophobicContact CB-CE2 3.71Å; K64-F335 HydrophobicContact CD-CD2 3.9Å; K64-F335 HydrophobicContact CD-CE2 4.44Å; K64-F335 HydrophobicContact CG-CD2 3.76Å; K64-F335 HydrophobicContact CG-CE2 3.88Å |
| 65 | Q | 96.6 | Very high | 95.8 | Very high | 110 Ų | 110 | 56.2 Ų | 56.2 | 51% | 0.514 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.5 | -39.1 | -178.3 | -59.1 | -170.8 | -79.3 | 0 | 0 | 110.9 | D63 V68 K69 K330 | D63-Q65 VanDerWaalsContact C-N 3.3Å; D63-Q65 PolarHBondContact O-N 2.94Å; D63-Q65 WeakPolarHBondContact OD1-CA 3.33Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.31Å; D63-Q65 PolarHBondContact OD1-N 3.21Å; Q65-V68 PolarHBondContact O-N 3.47Å; Q65-K69 VanDerWaalsContact O-CB 3.31Å; Q65-K69 WeakPolarHBondContact O-CB 3.41Å; Q65-K69 PolarHBondContact O-N 3.03Å; Q65-K330 HydrophobicContact CG-CB 4.15Å; Q65-K330 HydrophobicContact CG-CG 4.36Å |
| 66 | K | 95.9 | Very high | 95.7 | Very high | 104 Ų | 104 | 51.1 Ų | 51.1 | 45% | 0.452 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 173.9 | -68.5 | -176.2 | -172.7 | 176 | 0 | 111.7 | F42 D63 V68 K69 L70 | F42-K66 HydrophobicContact CB-CB 4.19Å; D63-K66 HydrophobicContact CB-CB 3.98Å; D63-K66 HydrophobicContact CB-CD 3.95Å; D63-K66 HydrophobicContact CB-CG 3.96Å; D63-K66 PolarHBondContact O-N 3.36Å; D63-K66 PolarHBondContact OD1-N 2.88Å; K66-V68 VanDerWaalsContact C-N 3.35Å; K66-V68 PolarHBondContact O-N 3.28Å; K66-K69 PolarHBondContact O-N 3.38Å; K66-L70 WeakPolarHBondContact O-CB 3.48Å; K66-L70 WeakPolarHBondContact O-CG 3.42Å; K66-L70 PolarHBondContact O-N 2.99Å |
| 67 | V | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58.7 | -45.8 | 176.3 | 173.4 | 0 | 0 | 0 | 0 | 111 | F42 L62 D63 K64 L70 K71 Q72 T76 F335 | F42-V67 HydrophobicContact CB-CG2 4.29Å; F42-V67 HydrophobicContact CD2-CG2 3.83Å; F42-V67 HydrophobicContact CG-CG2 4.37Å; L62-V67 HydrophobicContact CB-CG2 4.07Å; D63-V67 VanDerWaalsContact O-CG2 3.3Å; D63-V67 WeakPolarHBondContact O-CG2 3.47Å; D63-V67 PolarHBondContact O-N 3.42Å; K64-V67 PolarHBondContact O-N 3.18Å; V67-L70 PolarHBondContact O-N 3.04Å; V67-K71 PolarHBondContact O-N 2.94Å; V67-Q72 HydrophobicContact CG1-CB 3.93Å; V67-Q72 PolarHBondContact O-N 3.42Å; V67-T76 WeakPolarHBondContact CG1-OG1 3.45Å; V67-F335 HydrophobicContact CB-CZ 3.91Å; V67-F335 HydrophobicContact CG1-CE1 3.88Å; V67-F335 HydrophobicContact CG1-CZ 3.51Å |
| 68 | V | 96.2 | Very high | 95.3 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 26% | 0.261 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.4 | -48.8 | 176 | 173 | 0 | 0 | 0 | 0 | 111.2 | K64 Q65 K66 L70 K71 I73 C331 E334 F335 | K64-V68 WeakPolarHBondContact O-CG2 3.32Å; K64-V68 PolarHBondContact O-N 3.31Å; Q65-V68 PolarHBondContact O-N 3.47Å; K66-V68 VanDerWaalsContact C-N 3.35Å; K66-V68 PolarHBondContact O-N 3.28Å; V68-L70 VanDerWaalsContact C-N 3.25Å; V68-L70 PolarHBondContact O-N 3.31Å; V68-K71 PolarHBondContact O-N 3.35Å; V68-I73 HydrophobicContact CB-CD1 4.45Å; V68-I73 HydrophobicContact CG1-CD1 4.42Å; V68-I73 HydrophobicContact CG2-CD1 3.92Å; V68-I73 HydrophobicContact CG2-CG1 3.98Å; V68-C331 HydrophobicContact CG2-CB 4.14Å; V68-E334 HydrophobicContact CG2-CB 4.35Å; V68-E334 HydrophobicContact CG2-CG 4.15Å; V68-F335 HydrophobicContact CG2-CE2 3.85Å; V68-F335 HydrophobicContact CG2-CZ 4.1Å |
| 69 | K | 95.6 | Very high | 95.2 | Very high | 180 Ų | 180 | 50.8 Ų | 50.8 | 78% | 0.783 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -57.6 | -38.3 | -179.4 | -176.9 | 179.6 | 177.6 | -177.6 | 0 | 112.4 | Q65 K66 K71 | Q65-K69 VanDerWaalsContact O-CB 3.31Å; Q65-K69 WeakPolarHBondContact O-CB 3.41Å; Q65-K69 PolarHBondContact O-N 3.03Å; K66-K69 PolarHBondContact O-N 3.38Å; K69-K71 VanDerWaalsContact C-N 3.3Å |
| 70 | L | 92.3 | Very high | 95 | Very high | 84 Ų | 84 | 52.2 Ų | 52.2 | 44% | 0.44 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.1 | 9.1 | 179.3 | -64 | 174.6 | 0 | 0 | 0 | 113.5 | F42 K66 V67 V68 Q72 | F42-L70 HydrophobicContact CB-CD1 4.1Å; F42-L70 HydrophobicContact CD1-CD1 4.43Å; K66-L70 WeakPolarHBondContact O-CB 3.48Å; K66-L70 WeakPolarHBondContact O-CG 3.42Å; K66-L70 PolarHBondContact O-N 2.99Å; V67-L70 PolarHBondContact O-N 3.04Å; V68-L70 VanDerWaalsContact C-N 3.25Å; V68-L70 PolarHBondContact O-N 3.31Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 HydrophobicContact CB-CG 4.1Å; L70-Q72 WeakPolarHBondContact O-CG 3.43Å; L70-Q72 PolarHBondContact O-N 3.4Å; L70-Q72 PolarHBondContact O-NE2 3.29Å |
| 71 | K | 93.3 | Very high | 94.9 | Very high | 183 Ų | 183 | 59.9 Ų | 59.9 | 80% | 0.796 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.3 | 37.3 | 177.7 | -55.8 | -179.4 | 178.2 | -179.9 | 0 | 113.4 | V67 V68 K69 | V67-K71 PolarHBondContact O-N 2.94Å; V68-K71 PolarHBondContact O-N 3.35Å; K69-K71 VanDerWaalsContact C-N 3.3Å |
| 72 | Q | 93.4 | Very high | 94.7 | Very high | 40 Ų | 40 | 60.1 Ų | 60.1 | 19% | 0.187 | 28% | 0.275 | C | S | . | . | trans | -99.9 | 10.2 | -177.1 | -62.9 | -54.2 | -60 | 0 | 0 | 114.1 | F42 V67 L70 E74 H75 T76 | F42-Q72 HydrophobicContact CD1-CG 4.37Å; F42-Q72 HydrophobicContact CE1-CG 4.26Å; V67-Q72 HydrophobicContact CG1-CB 3.93Å; V67-Q72 PolarHBondContact O-N 3.42Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 HydrophobicContact CB-CG 4.1Å; L70-Q72 WeakPolarHBondContact O-CG 3.43Å; L70-Q72 PolarHBondContact O-N 3.4Å; L70-Q72 PolarHBondContact O-NE2 3.29Å; Q72-E74 PolarHBondContact O-N 2.84Å; Q72-H75 PolarHBondContact O-N 2.89Å; Q72-H75 PolarHBondContact OE1-ND1 3.41Å; Q72-T76 PolarHBondContact O-N 2.71Å; Q72-T76 PolarHBondContact O-OG1 2.75Å | ||
| 73 | I | 94.9 | Very high | 94.6 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.5 | -53.4 | -175.4 | -55.8 | 165.7 | 0 | 0 | 0 | 111.8 | V68 H75 T76 L77 E334 F335 | V68-I73 HydrophobicContact CB-CD1 4.45Å; V68-I73 HydrophobicContact CG1-CD1 4.42Å; V68-I73 HydrophobicContact CG2-CD1 3.92Å; V68-I73 HydrophobicContact CG2-CG1 3.98Å; I73-H75 VanDerWaalsContact C-N 3.32Å; I73-H75 PolarHBondContact O-N 3.02Å; I73-T76 PolarHBondContact O-N 3.19Å; I73-L77 HydrophobicContact CG2-CD1 4.08Å; I73-L77 WeakPolarHBondContact O-CG 3.43Å; I73-L77 PolarHBondContact O-N 2.94Å; I73-E334 HydrophobicContact CD1-CB 4.14Å; I73-E334 HydrophobicContact CD1-CG 3.93Å; I73-E334 HydrophobicContact CG2-CB 4.35Å; I73-F335 HydrophobicContact CB-CE1 4.41Å; I73-F335 HydrophobicContact CG1-CE1 4.43Å; I73-F335 HydrophobicContact CG1-CZ 4.14Å; I73-F335 HydrophobicContact CG2-CD1 4.46Å; I73-F335 HydrophobicContact CG2-CE1 3.96Å; I73-F335 HydrophobicContact CG2-CZ 4.43Å |
| 74 | E | 92.9 | Very high | 94.4 | Very high | 106 Ų | 106 | 61.6 Ų | 61.6 | 50% | 0.495 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | -179.2 | -168.2 | -162.7 | 144.8 | 0 | 0 | 111.4 | Q72 L77 N78 K177 | Q72-E74 PolarHBondContact O-N 2.84Å; E74-L77 PolarHBondContact O-N 3.23Å; E74-N78 VanDerWaalsContact O-CB 3.24Å; E74-N78 WeakPolarHBondContact O-CB 3.47Å; E74-N78 PolarHBondContact O-N 3.44Å; E74-N78 PolarHBondContact O-ND2 3.42Å; E74-N78 PolarHBondContact OE1-ND2 3.38Å; E74-K177 IonicContact OE1-NZ 2.7Å; E74-K177 PolarHBondContact OE1-NZ 3.33Å |
| 75 | H | 91.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 63.5 Ų | 63.5 | 9% | 0.093 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 178.4 | -72.3 | 168.7 | 0 | 0 | 0 | 112 | Q72 I73 N78 E79 G174 | Q72-H75 PolarHBondContact O-N 2.89Å; Q72-H75 PolarHBondContact OE1-ND1 3.41Å; I73-H75 VanDerWaalsContact C-N 3.32Å; I73-H75 PolarHBondContact O-N 3.02Å; H75-N78 PolarHBondContact O-N 2.91Å; H75-E79 WeakPolarHBondContact O-CB 3.48Å; H75-E79 PolarHBondContact O-N 3.48Å; H75-G174 VanDerWaalsContact CB-O 3.32Å; H75-G174 WeakPolarHBondContact CB-O 3.38Å |
| 76 | T | 94.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 59 Ų | 59 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 178.1 | -59.3 | 0 | 0 | 0 | 0 | 112.7 | L62 V67 Q72 I73 E79 K80 L104 F338 | L62-T76 HydrophobicContact CD1-CG2 3.54Å; V67-T76 WeakPolarHBondContact CG1-OG1 3.45Å; Q72-T76 PolarHBondContact O-N 2.71Å; Q72-T76 PolarHBondContact O-OG1 2.75Å; I73-T76 PolarHBondContact O-N 3.19Å; T76-E79 PolarHBondContact O-N 3.2Å; T76-K80 PolarHBondContact O-N 3.49Å; T76-L104 HydrophobicContact CG2-CD1 3.57Å; T76-F338 HydrophobicContact CG2-CD2 4.28Å; T76-F338 HydrophobicContact CG2-CE2 3.93Å |
| 77 | L | 94.8 | Very high | 93.5 | Very high | 38 Ų | 38 | 56.3 Ų | 56.3 | 20% | 0.199 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 175.8 | -67.9 | 173.9 | 0 | 0 | 0 | 111.5 | I73 E74 R81 F335 F338 | I73-L77 HydrophobicContact CG2-CD1 4.08Å; I73-L77 WeakPolarHBondContact O-CG 3.43Å; I73-L77 PolarHBondContact O-N 2.94Å; E74-L77 PolarHBondContact O-N 3.23Å; L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.24Å; L77-R81 PolarHBondContact O-N 2.83Å; L77-F335 HydrophobicContact CD2-CD1 4.38Å; L77-F338 HydrophobicContact CD2-CB 3.83Å; L77-F338 HydrophobicContact CD2-CD2 4.14Å; L77-F338 HydrophobicContact CD2-CG 4.5Å |
| 78 | N | 92.4 | Very high | 93.6 | Very high | 34 Ų | 34 | 57 Ų | 57 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.6 | -45 | 175.7 | -77 | -25.7 | 0 | 0 | 0 | 111.7 | E74 H75 K80 R81 I82 | E74-N78 VanDerWaalsContact O-CB 3.24Å; E74-N78 WeakPolarHBondContact O-CB 3.47Å; E74-N78 PolarHBondContact O-N 3.44Å; E74-N78 PolarHBondContact O-ND2 3.42Å; E74-N78 PolarHBondContact OE1-ND2 3.38Å; H75-N78 PolarHBondContact O-N 2.91Å; N78-K80 PolarHBondContact O-N 2.82Å; N78-R81 PolarHBondContact O-N 3.47Å; N78-I82 HydrophobicContact CB-CD1 4.33Å; N78-I82 VanDerWaalsContact O-CB 3.28Å; N78-I82 WeakPolarHBondContact O-CB 3.46Å; N78-I82 WeakPolarHBondContact O-CD1 3.22Å; N78-I82 WeakPolarHBondContact O-CG1 3.44Å; N78-I82 PolarHBondContact O-N 3.07Å |
| 79 | E | 95.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 56.7 Ų | 56.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -54.3 | -55.1 | 178.3 | 176.6 | 170.2 | -157.8 | 0 | 0 | 110.7 | K60 H75 T76 R81 I82 L83 M106 F173 | K60-E79 VanDerWaalsContact NZ-CD 3.32Å; K60-E79 IonicContact NZ-OE1 3.18Å; K60-E79 PolarHBondContact NZ-OE1 2.81Å; K60-E79 IonicContact NZ-OE2 2.9Å; K60-E79 PolarHBondContact NZ-OE2 2.94Å; K60-E79 VanDerWaalsContact NZ-OE2 3.16Å; H75-E79 WeakPolarHBondContact O-CB 3.48Å; H75-E79 PolarHBondContact O-N 3.48Å; T76-E79 PolarHBondContact O-N 3.2Å; E79-R81 PolarHBondContact O-N 2.89Å; E79-I82 PolarHBondContact O-N 2.92Å; E79-L83 HydrophobicContact CG-CD1 3.86Å; E79-L83 WeakPolarHBondContact O-CB 3.27Å; E79-L83 WeakPolarHBondContact O-CG 3.5Å; E79-L83 PolarHBondContact O-N 3.15Å; E79-M106 HydrophobicContact CG-CE 4.21Å; E79-M106 HydrophobicContact CG-SD 4.06Å; E79-F173 HydrophobicContact CG-CB 3.89Å; E79-F173 PolarHBondContact OE1-N 3.02Å |
| 80 | K | 95.3 | Very high | 93.8 | Very high | 31 Ų | 31 | 48.1 Ų | 48.1 | 14% | 0.135 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.8 | -49.3 | 178.4 | -177.8 | -95.7 | -172.9 | 174.3 | 0 | 111.4 | T76 N78 I82 L83 Q84 L94 A97 M106 F338 | T76-K80 PolarHBondContact O-N 3.49Å; N78-K80 PolarHBondContact O-N 2.82Å; K80-I82 VanDerWaalsContact C-N 3.35Å; K80-I82 PolarHBondContact O-N 2.76Å; K80-L83 PolarHBondContact O-N 2.92Å; K80-Q84 HydrophobicContact CD-CG 4.47Å; K80-Q84 VanDerWaalsContact CE-NE2 3.26Å; K80-Q84 WeakPolarHBondContact O-CB 3.47Å; K80-Q84 VanDerWaalsContact O-CG 3.29Å; K80-Q84 WeakPolarHBondContact O-CG 3.41Å; K80-Q84 PolarHBondContact O-N 2.92Å; K80-L94 HydrophobicContact CG-CD2 4.47Å; K80-A97 HydrophobicContact CG-CB 4.06Å; K80-M106 HydrophobicContact CB-SD 3.95Å; K80-F338 HydrophobicContact CB-CD2 4.41Å; K80-F338 HydrophobicContact CB-CE2 3.86Å; K80-F338 HydrophobicContact CB-CZ 4.24Å; K80-F338 WeakPolarHBondContact CD-OXT 3.45Å; K80-F338 WeakPolarHBondContact CE-OXT 3.42Å; K80-F338 HydrophobicContact CG-CE1 4.43Å; K80-F338 HydrophobicContact CG-CE2 4.04Å; K80-F338 HydrophobicContact CG-CZ 3.99Å; K80-F338 PolarHBondContact NZ-OXT 2.99Å |
| 81 | R | 94.3 | Very high | 94 | Very high | 180 Ų | 180 | 44.3 Ų | 44.3 | 68% | 0.679 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -63 | -39.5 | -178 | -174.5 | 177.2 | -176.4 | 166.3 | 4.6 | 112.7 | L77 N78 E79 A85 | L77-R81 VanDerWaalsContact O-CB 3.28Å; L77-R81 WeakPolarHBondContact O-CB 3.24Å; L77-R81 PolarHBondContact O-N 2.83Å; N78-R81 PolarHBondContact O-N 3.47Å; E79-R81 PolarHBondContact O-N 2.89Å; R81-A85 WeakPolarHBondContact O-CB 3.17Å; R81-A85 PolarHBondContact O-N 3.19Å |
| 82 | I | 93.8 | Very high | 94.2 | Very high | 13 Ų | 13 | 35.8 Ų | 35.8 | 7% | 0.067 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -70.6 | -50 | 179.1 | -69.1 | 166.3 | 0 | 0 | 0 | 109.6 | N78 E79 K80 Q84 A85 V86 L150 F173 A176 | N78-I82 HydrophobicContact CB-CD1 4.33Å; N78-I82 VanDerWaalsContact O-CB 3.28Å; N78-I82 WeakPolarHBondContact O-CB 3.46Å; N78-I82 WeakPolarHBondContact O-CD1 3.22Å; N78-I82 WeakPolarHBondContact O-CG1 3.44Å; N78-I82 PolarHBondContact O-N 3.07Å; E79-I82 PolarHBondContact O-N 2.92Å; K80-I82 VanDerWaalsContact C-N 3.35Å; K80-I82 PolarHBondContact O-N 2.76Å; I82-Q84 VanDerWaalsContact C-N 3.27Å; I82-Q84 PolarHBondContact O-N 3.19Å; I82-A85 PolarHBondContact O-N 3.29Å; I82-V86 HydrophobicContact CG2-CG1 4Å; I82-V86 WeakPolarHBondContact O-CG1 3.28Å; I82-V86 WeakPolarHBondContact O-CG2 3.4Å; I82-V86 PolarHBondContact O-N 3.24Å; I82-L150 HydrophobicContact CD1-CD2 3.88Å; I82-L150 HydrophobicContact CG1-CD2 3.85Å; I82-L150 HydrophobicContact CG2-CD1 3.92Å; I82-L150 HydrophobicContact CG2-CD2 4.19Å; I82-F173 HydrophobicContact CG2-CD1 3.67Å; I82-F173 HydrophobicContact CG2-CE1 4.07Å; I82-A176 HydrophobicContact CD1-CB 3.75Å; I82-A176 WeakPolarHBondContact CD1-O 3.42Å; I82-A176 HydrophobicContact CG2-CB 4.39Å |
| 83 | L | 93.5 | Very high | 94.3 | Very high | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.9 | -38 | 179.6 | -79.8 | 173.6 | 0 | 0 | 0 | 112.7 | E79 K80 A85 V92 L94 M106 M108 F173 | E79-L83 HydrophobicContact CG-CD1 3.86Å; E79-L83 WeakPolarHBondContact O-CB 3.27Å; E79-L83 WeakPolarHBondContact O-CG 3.5Å; E79-L83 PolarHBondContact O-N 3.15Å; K80-L83 PolarHBondContact O-N 2.92Å; L83-A85 VanDerWaalsContact C-N 3.27Å; L83-A85 PolarHBondContact O-N 3.19Å; L83-V92 HydrophobicContact CD2-CG1 4.3Å; L83-L94 HydrophobicContact CB-CB 3.94Å; L83-L94 HydrophobicContact CB-CD2 3.76Å; L83-L94 HydrophobicContact CB-CG 4.49Å; L83-M106 HydrophobicContact CD1-SD 4.49Å; L83-M108 HydrophobicContact CD1-SD 4.48Å; L83-F173 HydrophobicContact CD1-CB 4.21Å; L83-F173 HydrophobicContact CD2-CB 4.14Å; L83-F173 HydrophobicContact CD2-CD1 4.25Å; L83-F173 HydrophobicContact CD2-CD2 3.47Å; L83-F173 VanDerWaalsContact CD2-CD2 3.47Å; L83-F173 HydrophobicContact CD2-CE2 3.83Å; L83-F173 HydrophobicContact CD2-CG 3.7Å; L83-F173 HydrophobicContact CD2-CZ 4.35Å; L83-F173 HydrophobicContact CG-CB 3.88Å; L83-F173 HydrophobicContact CG-CD2 4.18Å; L83-F173 HydrophobicContact CG-CG 3.96Å |
| 84 | Q | 91.8 | Very high | 94.3 | Very high | 73 Ų | 73 | 37.9 Ų | 37.9 | 34% | 0.341 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.6 | -27.2 | 174.9 | -72.8 | -171.8 | -44.4 | 0 | 0 | 113.7 | K80 I82 L94 | K80-Q84 HydrophobicContact CD-CG 4.47Å; K80-Q84 VanDerWaalsContact CE-NE2 3.26Å; K80-Q84 WeakPolarHBondContact O-CB 3.47Å; K80-Q84 VanDerWaalsContact O-CG 3.29Å; K80-Q84 WeakPolarHBondContact O-CG 3.41Å; K80-Q84 PolarHBondContact O-N 2.92Å; I82-Q84 VanDerWaalsContact C-N 3.27Å; I82-Q84 PolarHBondContact O-N 3.19Å; Q84-L94 HydrophobicContact CB-CD2 4.48Å; Q84-L94 HydrophobicContact CG-CD2 3.42Å; Q84-L94 VanDerWaalsContact CG-CD2 3.42Å; Q84-L94 HydrophobicContact CG-CG 4.37Å |
| 85 | A | 87.9 | Confident | 94.4 | Very high | 41 Ų | 41 | 36 Ų | 36 | 34% | 0.339 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -98.9 | -12.9 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | R81 I82 L83 | R81-A85 WeakPolarHBondContact O-CB 3.17Å; R81-A85 PolarHBondContact O-N 3.19Å; I82-A85 PolarHBondContact O-N 3.29Å; L83-A85 VanDerWaalsContact C-N 3.27Å; L83-A85 PolarHBondContact O-N 3.19Å |
| 86 | V | 91.9 | Very high | 94.6 | Very high | 17 Ų | 17 | 37 Ų | 37 | 10% | 0.103 | 18% | 0.175 | C | C | . | . | trans | -96 | 144.7 | -179.4 | -64 | 0 | 0 | 0 | 0 | 111.8 | I82 L91 Y144 L145 L150 | I82-V86 HydrophobicContact CG2-CG1 4Å; I82-V86 WeakPolarHBondContact O-CG1 3.28Å; I82-V86 WeakPolarHBondContact O-CG2 3.4Å; I82-V86 PolarHBondContact O-N 3.24Å; V86-L91 HydrophobicContact CB-CD1 4.04Å; V86-L91 HydrophobicContact CG2-CD1 3.98Å; V86-Y144 HydrophobicContact CB-CE1 4.06Å; V86-Y144 HydrophobicContact CG1-CE1 4.19Å; V86-L145 HydrophobicContact CG1-CD2 4.06Å; V86-L150 HydrophobicContact CG1-CD1 3.68Å | ||
| 87 | N | 92.6 | Very high | 94.7 | Very high | 46 Ų | 46 | 38 Ų | 38 | 25% | 0.246 | 18% | 0.183 | C | C | . | . | trans | -147.4 | 105.5 | 175.5 | -178.7 | 21.5 | 0 | 0 | 0 | 109.3 | Y144 | N87-Y144 PolarHBondContact N-OH 3.42Š| ||
| 88 | F | 96.8 | Very high | 94.8 | Very high | 15 Ų | 15 | 37.4 Ų | 37.4 | 7% | 0.066 | 18% | 0.179 | C | C | . | . | trans | -150.7 | 146.9 | -178.3 | -161 | -108.3 | 0 | 0 | 0 | 110.8 | F90 L91 L140 Y144 Y294 | F88-F90 HydrophobicContact CD1-CB 4.48Å; F88-F90 HydrophobicContact CD1-CD2 4.1Å; F88-F90 AromaticContact CE1-CD2 3.62Å; F88-F90 HydrophobicContact CE1-CD2 3.62Å; F88-F90 HydrophobicContact CE1-CE2 4.06Å; F88-F90 PolarHBondContact O-N 3.12Å; F88-L91 HydrophobicContact CB-CB 4.36Å; F88-L91 HydrophobicContact CB-CD1 3.78Å; F88-L91 HydrophobicContact CB-CG 3.89Å; F88-L91 PolarHBondContact O-N 3Å; F88-L91 VanDerWaalsContact O-N 3.11Å; F88-L140 HydrophobicContact CE1-CB 4.07Å; F88-L140 HydrophobicContact CZ-CB 3.96Å; F88-L140 WeakPolarHBondContact CZ-O 3.49Å; F88-Y144 HydrophobicContact CB-CD1 3.82Å; F88-Y144 HydrophobicContact CB-CE1 3.93Å; F88-Y144 HydrophobicContact CB-CG 4.2Å; F88-Y144 AromaticContact CD2-CD1 3.97Å; F88-Y144 HydrophobicContact CD2-CD1 3.97Å; F88-Y144 AromaticContact CD2-CD2 3.59Å; F88-Y144 HydrophobicContact CD2-CD2 3.59Å; F88-Y144 HydrophobicContact CD2-CE2 4.21Å; F88-Y144 AromaticContact CD2-CG 3.44Å; F88-Y144 HydrophobicContact CD2-CG 3.44Å; F88-Y144 VanDerWaalsContact CD2-CG 3.44Å; F88-Y144 HydrophobicContact CE2-CD2 4.07Å; F88-Y144 AromaticContact CE2-CG 3.91Å; F88-Y144 HydrophobicContact CE2-CG 3.91Å; F88-Y144 AromaticContact CG-CD1 3.91Å; F88-Y144 HydrophobicContact CG-CD1 3.91Å; F88-Y144 HydrophobicContact CG-CD2 4.36Å; F88-Y144 HydrophobicContact CG-CE1 4.48Å; F88-Y144 AromaticContact CG-CG 3.85Å; F88-Y144 HydrophobicContact CG-CG 3.85Å; F88-Y294 HydrophobicContact CD2-CE2 4.26Å; F88-Y294 HydrophobicContact CE2-CD2 4.06Å; F88-Y294 AromaticContact CE2-CE2 3.57Å; F88-Y294 HydrophobicContact CE2-CE2 3.57Å; F88-Y294 AromaticContact CZ-CD2 3.9Å; F88-Y294 HydrophobicContact CZ-CD2 3.9Å; F88-Y294 AromaticContact CZ-CE2 3.9Å; F88-Y294 HydrophobicContact CZ-CE2 3.9Å | ||
| 89 | P | 97.6 | Very high | 95 | Very high | 37 Ų | 37 | 39.2 Ų | 39.2 | 24% | 0.24 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.3 | -170.7 | -26.6 | 35.8 | 0 | 0 | 0 | 117.1 | Q169 Y294 R296 | P89-Q169 PolarHBondContact O-NE2 3.31Å; P89-Q169 VanDerWaalsContact O-NE2 3.17Å; P89-Y294 HydrophobicContact CG-CD2 4.07Å; P89-Y294 HydrophobicContact CG-CE2 3.64Å; P89-R296 PolarHBondContact O-NH1 2.9Å |
| 90 | F | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | 17.4 | -177 | -43.5 | -48.9 | 0 | 0 | 0 | 112.3 | F88 Q137 L140 Y167 I168 V170 I293 R296 | F88-F90 HydrophobicContact CD1-CB 4.48Å; F88-F90 HydrophobicContact CD1-CD2 4.1Å; F88-F90 AromaticContact CE1-CD2 3.62Å; F88-F90 HydrophobicContact CE1-CD2 3.62Å; F88-F90 HydrophobicContact CE1-CE2 4.06Å; F88-F90 PolarHBondContact O-N 3.12Å; F90-Q137 HydrophobicContact CD1-CB 4.43Å; F90-Q137 HydrophobicContact CD1-CG 4.26Å; F90-Q137 HydrophobicContact CD2-CB 3.81Å; F90-Q137 HydrophobicContact CD2-CG 4.21Å; F90-Q137 HydrophobicContact CE1-CG 4.05Å; F90-Q137 HydrophobicContact CE2-CB 4.01Å; F90-Q137 HydrophobicContact CE2-CG 3.99Å; F90-Q137 HydrophobicContact CG-CB 4.07Å; F90-Q137 HydrophobicContact CG-CG 4.37Å; F90-Q137 HydrophobicContact CZ-CB 4.41Å; F90-Q137 HydrophobicContact CZ-CG 3.91Å; F90-L140 HydrophobicContact CE2-CB 4.21Å; F90-L140 HydrophobicContact CE2-CD1 3.96Å; F90-Y167 HydrophobicContact CD1-CD1 4.23Å; F90-Y167 AromaticContact CE1-CD1 3.58Å; F90-Y167 HydrophobicContact CE1-CD1 3.58Å; F90-Y167 HydrophobicContact CE1-CE1 4.12Å; F90-Y167 HydrophobicContact CZ-CD1 4.42Å; F90-I168 VanDerWaalsContact CA-O 3.26Å; F90-I168 WeakPolarHBondContact CA-O 3.33Å; F90-I168 WeakPolarHBondContact CB-O 3.19Å; F90-V170 WeakPolarHBondContact O-CG2 3.49Å; F90-V170 PolarHBondContact O-N 3.08Å; F90-I293 HydrophobicContact CE2-CG2 4.36Å; F90-I293 HydrophobicContact CZ-CG2 4.01Å; F90-I293 WeakPolarHBondContact CZ-O 3.15Å; F90-R296 HydrophobicContact CE1-CG 4.08Å |
| 91 | L | 98.3 | Very high | 95.1 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 20% | 0.199 | C | C | . | . | B | Isolated β-bridge | trans | -113.9 | 132.9 | 174.1 | -65.4 | -176.4 | 0 | 0 | 0 | 108.8 | V86 F88 R93 T141 Y144 L145 Q169 V170 F173 | V86-L91 HydrophobicContact CB-CD1 4.04Å; V86-L91 HydrophobicContact CG2-CD1 3.98Å; F88-L91 HydrophobicContact CB-CB 4.36Å; F88-L91 HydrophobicContact CB-CD1 3.78Å; F88-L91 HydrophobicContact CB-CG 3.89Å; F88-L91 PolarHBondContact O-N 3Å; F88-L91 VanDerWaalsContact O-N 3.11Å; L91-R93 PolarHBondContact O-N 3.5Å; L91-T141 HydrophobicContact CD2-CG2 3.39Å; L91-T141 HydrophobicContact CG-CG2 4.15Å; L91-Y144 HydrophobicContact CD1-CD1 4.14Å; L91-Y144 HydrophobicContact CD1-CE1 4.01Å; L91-L145 HydrophobicContact CD1-CD2 3.98Å; L91-Q169 PolarHBondContact O-OE1 3.19Å; L91-V170 HydrophobicContact CD2-CB 3.69Å; L91-V170 HydrophobicContact CD2-CG1 4.32Å; L91-V170 HydrophobicContact CD2-CG2 4.13Å; L91-F173 HydrophobicContact CD1-CZ 4.12Å; L91-F173 HydrophobicContact CD2-CE2 4.19Å; L91-F173 HydrophobicContact CD2-CZ 3.61Å; L91-F173 HydrophobicContact CG-CZ 4.33Å |
| 92 | V | 96.8 | Very high | 95.2 | Very high | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.024 | 17% | 0.173 | C | C | . | . | P | Polyproline II helix | trans | -58.6 | 131.8 | 173.3 | 75.5 | 0 | 0 | 0 | 0 | 109.8 | L83 M108 E109 V170 | L83-V92 HydrophobicContact CD2-CG1 4.3Å; V92-M108 HydrophobicContact CG1-SD 4.18Å; V92-M108 HydrophobicContact CG2-CB 3.92Å; V92-E109 HydrophobicContact CG2-CG 3.63Å; V92-V170 WeakPolarHBondContact CG1-O 3.49Å; V92-V170 PolarHBondContact N-O 2.94Å |
| 93 | R | 94.6 | Very high | 95.4 | Very high | 106 Ų | 106 | 33.8 Ų | 33.8 | 40% | 0.4 | 17% | 0.172 | S | C | . | . | P | Polyproline II helix | trans | -83.2 | 135.8 | 175.9 | -66.6 | -168.6 | -54 | -69.4 | -7.3 | 111.5 | L91 E95 M108 E109 | L91-R93 PolarHBondContact O-N 3.5Å; R93-E95 IonicContact CZ-OE1 3.12Å; R93-E95 IonicContact NE-OE1 2.89Å; R93-E95 PolarHBondContact NE-OE1 2.96Å; R93-E95 VanDerWaalsContact NE-OE1 3.16Å; R93-E95 IonicContact NH2-OE1 3.91Å; R93-M108 CarbonylContact O-C 3.59Å; R93-M108 WeakPolarHBondContact O-CA 3.19Å; R93-E109 IonicContact CZ-OE1 3.83Å; R93-E109 IonicContact CZ-OE2 3.16Å; R93-E109 PolarHBondContact N-OE1 2.56Å; R93-E109 IonicContact NH1-OE1 2.75Å; R93-E109 PolarHBondContact NH1-OE1 3.3Å; R93-E109 IonicContact NH1-OE2 3.19Å; R93-E109 PolarHBondContact NH1-OE2 2.93Å; R93-E109 IonicContact NH2-OE2 3.62Å; R93-E109 PolarHBondContact NH2-OE2 2.92Å; R93-E109 PolarHBondContact O-N 2.86Å |
| 94 | L | 96.3 | Very high | 95.6 | Very high | 24 Ų | 24 | 33.6 Ų | 33.6 | 13% | 0.126 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 116.4 | 166.2 | 179.1 | 63.9 | 0 | 0 | 0 | 109.1 | K80 L83 Q84 Y96 A97 M106 M108 | K80-L94 HydrophobicContact CG-CD2 4.47Å; L83-L94 HydrophobicContact CB-CB 3.94Å; L83-L94 HydrophobicContact CB-CD2 3.76Å; L83-L94 HydrophobicContact CB-CG 4.49Å; Q84-L94 HydrophobicContact CB-CD2 4.48Å; Q84-L94 HydrophobicContact CG-CD2 3.42Å; Q84-L94 VanDerWaalsContact CG-CD2 3.42Å; Q84-L94 HydrophobicContact CG-CG 4.37Å; L94-Y96 WeakPolarHBondContact CD1-O 3.31Å; L94-A97 HydrophobicContact CD2-CB 4.39Å; L94-M106 HydrophobicContact CD1-CB 3.75Å; L94-M106 HydrophobicContact CD1-CG 4.29Å; L94-M108 HydrophobicContact CD1-CG 4.12Å |
| 95 | E | 95.2 | Very high | 95.9 | Very high | 66 Ų | 66 | 30.1 Ų | 30.1 | 31% | 0.308 | 16% | 0.155 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -37.3 | -174.8 | -61.6 | -70.5 | 171.1 | 0 | 0 | 111.1 | Y57 R93 V107 | Y57-E95 HydrophobicContact CD1-CB 4.45Å; Y57-E95 HydrophobicContact CD1-CG 4.32Å; Y57-E95 HydrophobicContact CE1-CB 4.11Å; Y57-E95 HydrophobicContact CE1-CG 3.96Å; R93-E95 IonicContact CZ-OE1 3.12Å; R93-E95 IonicContact NE-OE1 2.89Å; R93-E95 PolarHBondContact NE-OE1 2.96Å; R93-E95 VanDerWaalsContact NE-OE1 3.16Å; R93-E95 IonicContact NH2-OE1 3.91Å; E95-V107 PolarHBondContact N-O 2.89Å |
| 96 | Y | 95.6 | Very high | 96.3 | Very high | 42 Ų | 42 | 28.1 Ų | 28.1 | 17% | 0.165 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 149.6 | 176.5 | -45 | -90.5 | 0 | 0 | 0 | 111.5 | N24 A26 F31 Y57 L94 V107 | N24-Y96 HydrophobicContact CB-CD1 3.82Å; N24-Y96 HydrophobicContact CB-CE1 4.21Å; A26-Y96 HydrophobicContact CB-CD1 3.58Å; A26-Y96 HydrophobicContact CB-CE1 4.3Å; A26-Y96 HydrophobicContact CB-CG 3.95Å; F31-Y96 HydrophobicContact CE1-CD2 4.41Å; F31-Y96 HydrophobicContact CE1-CE2 4.49Å; F31-Y96 AromaticContact CZ-CD2 3.89Å; F31-Y96 HydrophobicContact CZ-CD2 3.89Å; F31-Y96 HydrophobicContact CZ-CE2 4.21Å; F31-Y96 HydrophobicContact CZ-CG 4.27Å; Y57-Y96 HydrophobicContact CE1-CE2 4.1Å; Y57-Y96 HydrophobicContact CE2-CE2 4.39Å; Y57-Y96 AromaticContact CZ-CE2 3.91Å; L94-Y96 WeakPolarHBondContact CD1-O 3.31Å; Y96-V107 HydrophobicContact CD2-CB 3.9Å; Y96-V107 HydrophobicContact CD2-CG1 3.8Å; Y96-V107 HydrophobicContact CG-CB 4.38Å; Y96-V107 PolarHBondContact N-O 3.16Å; Y96-V107 PolarHBondContact O-N 3.19Å |
| 97 | A | 96 | Very high | 96.6 | Very high | 21 Ų | 21 | 27.3 Ų | 27.3 | 17% | 0.174 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 130.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | K80 L94 Y105 F338 | K80-A97 HydrophobicContact CG-CB 4.06Å; L94-A97 HydrophobicContact CD2-CB 4.39Å; A97-Y105 VanDerWaalsContact CA-O 3.26Å; A97-Y105 WeakPolarHBondContact CA-O 3.22Å; A97-F338 HydrophobicContact CB-CE1 4.43Å |
| 98 | F | 96.3 | Very high | 96.8 | Very high | 27 Ų | 27 | 25.4 Ų | 25.4 | 12% | 0.118 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 173.9 | -178.5 | 58.1 | -92.4 | 0 | 0 | 0 | 110.9 | A26 L28 F31 M59 Y105 V107 F338 | A26-F98 HydrophobicContact CB-CD1 4.2Å; A26-F98 HydrophobicContact CB-CE1 4.32Å; A26-F98 WeakPolarHBondContact O-CB 3.28Å; A26-F98 VanDerWaalsContact O-CD1 3.23Å; A26-F98 WeakPolarHBondContact O-CD1 3.42Å; A26-F98 WeakPolarHBondContact O-CG 3.34Å; L28-F98 HydrophobicContact CB-CE2 4.02Å; L28-F98 HydrophobicContact CB-CZ 4.47Å; F31-F98 HydrophobicContact CD2-CE1 4.46Å; F31-F98 HydrophobicContact CD2-CZ 4.37Å; F31-F98 AromaticContact CE2-CE1 3.88Å; F31-F98 HydrophobicContact CE2-CE1 3.88Å; F31-F98 HydrophobicContact CE2-CZ 4.24Å; M59-F98 HydrophobicContact CE-CZ 4.06Å; F98-Y105 AromaticContact CD2-CD2 3.44Å; F98-Y105 HydrophobicContact CD2-CD2 3.44Å; F98-Y105 VanDerWaalsContact CD2-CD2 3.44Å; F98-Y105 HydrophobicContact CD2-CE2 4.27Å; F98-Y105 AromaticContact CD2-CG 3.75Å; F98-Y105 HydrophobicContact CD2-CG 3.75Å; F98-Y105 AromaticContact CE2-CD1 3.93Å; F98-Y105 HydrophobicContact CE2-CD1 3.93Å; F98-Y105 AromaticContact CE2-CD2 3.31Å; F98-Y105 HydrophobicContact CE2-CD2 3.31Å; F98-Y105 AromaticContact CE2-CE2 3.98Å; F98-Y105 HydrophobicContact CE2-CE2 3.98Å; F98-Y105 AromaticContact CE2-CG 3.28Å; F98-Y105 HydrophobicContact CE2-CG 3.28Å; F98-Y105 HydrophobicContact CG-CD2 4.44Å; F98-Y105 HydrophobicContact CZ-CD1 4.18Å; F98-Y105 HydrophobicContact CZ-CD2 4.25Å; F98-Y105 AromaticContact CZ-CG 3.77Å; F98-Y105 HydrophobicContact CZ-CG 3.77Å; F98-Y105 PolarHBondContact N-O 3.04Å; F98-Y105 VanDerWaalsContact N-O 3.07Å; F98-Y105 WeakPolarHBondContact O-CB 3.46Å; F98-Y105 PolarHBondContact O-N 3.06Å; F98-V107 HydrophobicContact CE1-CG2 3.77Å; F98-V107 HydrophobicContact CZ-CG2 4.47Å; F98-F338 WeakPolarHBondContact O-CE1 2.97Å |
| 99 | K | 96.4 | Very high | 96.7 | Very high | 72 Ų | 72 | 26.3 Ų | 26.3 | 31% | 0.313 | 13% | 0.128 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 153.7 | 179.5 | 65.8 | -164.1 | 174.4 | -148.7 | 0 | 110.5 | N103 L104 F335 G336 F338 | K99-N103 WeakPolarHBondContact CA-O 3.46Å; K99-L104 HydrophobicContact CB-CD2 3.69Å; K99-L104 HydrophobicContact CD-CD2 4.38Å; K99-F335 PolarHBondContact NZ-O 3.47Å; K99-G336 PolarHBondContact NZ-O 3.19Å; K99-F338 HydrophobicContact CB-CD1 4.3Å; K99-F338 HydrophobicContact CD-CB 4.15Å; K99-F338 HydrophobicContact CD-CD1 4.37Å; K99-F338 PolarHBondContact NZ-O 3.46Å |
| 100 | D | 96.1 | Very high | 96.8 | Very high | 33 Ų | 33 | 25.8 Ų | 25.8 | 18% | 0.176 | 12% | 0.122 | C | C | . | . | trans | -124.7 | -163.4 | 171.1 | 69.9 | 20.1 | 0 | 0 | 0 | 110.5 | K64 S102 N103 Y105 V325 | K64-D100 WeakPolarHBondContact CE-O 3.45Å; K64-D100 PolarHBondContact NZ-O 3.03Å; D100-S102 VanDerWaalsContact C-N 3.25Å; D100-S102 PolarHBondContact O-N 3.27Å; D100-S102 PolarHBondContact OD1-N 2.7Å; D100-N103 PolarHBondContact N-O 3.34Å; D100-N103 PolarHBondContact OD1-N 3.5Å; D100-Y105 HydrophobicContact CB-CE2 4.24Å; D100-Y105 WeakPolarHBondContact OD2-CE2 3.33Å; D100-Y105 PolarHBondContact OD2-OH 2.91Å; D100-V325 HydrophobicContact CB-CG1 4.13Å; D100-V325 WeakPolarHBondContact OD2-CG1 3.34Å; D100-V325 WeakPolarHBondContact OD2-CG2 3.39Å | ||
| 101 | N | 97.3 | Very high | 96.7 | Very high | 49 Ų | 49 | 26 Ų | 26 | 26% | 0.262 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -61 | -29.5 | 179.7 | -77 | -16.8 | 0 | 0 | 0 | 114.4 | V325 S326 I327 E329 K330 | N101-V325 HydrophobicContact CB-CG1 4.19Å; N101-S326 WeakPolarHBondContact CB-O 3.34Å; N101-S326 PolarHBondContact ND2-O 3.16Å; N101-I327 PolarHBondContact ND2-O 2.76Å; N101-I327 VanDerWaalsContact ND2-O 3.15Å; N101-E329 WeakPolarHBondContact OD1-CA 3.41Å; N101-K330 VanDerWaalsContact O-CB 3.27Å; N101-K330 WeakPolarHBondContact O-CB 3.37Å; N101-K330 WeakPolarHBondContact O-CG 3.48Å; N101-K330 PolarHBondContact O-N 3.18Å |
| 102 | S | 96.9 | Very high | 96.6 | Very high | 17 Ų | 17 | 26.5 Ų | 26.5 | 12% | 0.119 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -113.1 | -32.8 | -172.5 | -80.5 | 0 | 0 | 0 | 0 | 114 | K64 D100 S326 | K64-S102 WeakPolarHBondContact CB-O 3.19Å; K64-S102 VanDerWaalsContact CG-O 3.31Å; K64-S102 WeakPolarHBondContact CG-O 3.29Å; K64-S102 PolarHBondContact N-O 3.49Å; D100-S102 VanDerWaalsContact C-N 3.25Å; D100-S102 PolarHBondContact O-N 3.27Å; D100-S102 PolarHBondContact OD1-N 2.7Å; S102-S326 VanDerWaalsContact OG-CB 3.29Å; S102-S326 WeakPolarHBondContact OG-CB 3.3Å; S102-S326 PolarHBondContact OG-N 3.3Å |
| 103 | N | 97.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 26.3 Ų | 26.3 | 6% | 0.059 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 160.3 | -160.7 | -53.6 | -62.7 | 0 | 0 | 0 | 112.4 | I61 L62 K64 K99 D100 Y105 R324 | I61-N103 HydrophobicContact CG2-CB 4.14Å; L62-N103 CarbonylContact O-C 3.53Å; L62-N103 WeakPolarHBondContact O-CA 3.5Å; K64-N103 WeakPolarHBondContact CE-O 3.44Å; K99-N103 WeakPolarHBondContact CA-O 3.46Å; D100-N103 PolarHBondContact N-O 3.34Å; D100-N103 PolarHBondContact OD1-N 3.5Å; N103-Y105 HydrophobicContact CB-CD2 4.42Å; N103-Y105 HydrophobicContact CB-CE1 4.29Å; N103-Y105 HydrophobicContact CB-CE2 3.58Å; N103-Y105 WeakPolarHBondContact CB-OH 3.43Å; N103-Y105 PolarHBondContact ND2-OH 2.66Å; N103-R324 PolarHBondContact ND2-O 3.16Å |
| 104 | L | 97.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 140.3 | 168.5 | -50.8 | 171.8 | 0 | 0 | 0 | 108.5 | I61 L62 K64 T76 K99 F335 F338 | I61-L104 WeakPolarHBondContact CA-O 3.43Å; L62-L104 HydrophobicContact CB-CB 4.28Å; L62-L104 PolarHBondContact N-O 3.06Å; L62-L104 PolarHBondContact O-N 3.42Å; K64-L104 HydrophobicContact CD-CD2 4.27Å; K64-L104 HydrophobicContact CG-CD1 4.48Å; K64-L104 HydrophobicContact CG-CD2 3.96Å; K64-L104 HydrophobicContact CG-CG 3.87Å; T76-L104 HydrophobicContact CG2-CD1 3.57Å; K99-L104 HydrophobicContact CB-CD2 3.69Å; K99-L104 HydrophobicContact CD-CD2 4.38Å; L104-F335 HydrophobicContact CD1-CD1 3.55Å; L104-F335 HydrophobicContact CD1-CD2 4.45Å; L104-F335 HydrophobicContact CD1-CE1 3.61Å; L104-F335 HydrophobicContact CD1-CE2 4.5Å; L104-F335 HydrophobicContact CD1-CG 3.99Å; L104-F335 HydrophobicContact CD1-CZ 4.11Å; L104-F335 HydrophobicContact CD2-CB 4Å; L104-F335 HydrophobicContact CD2-CD1 4.32Å; L104-F335 HydrophobicContact CD2-CG 4.03Å; L104-F338 HydrophobicContact CB-CD1 4.47Å; L104-F338 HydrophobicContact CB-CD2 4.34Å; L104-F338 HydrophobicContact CB-CE1 4.03Å; L104-F338 HydrophobicContact CB-CE2 3.89Å; L104-F338 HydrophobicContact CB-CZ 3.72Å; L104-F338 HydrophobicContact CD1-CD2 3.83Å; L104-F338 HydrophobicContact CD1-CE2 3.95Å; L104-F338 HydrophobicContact CD1-CG 4.41Å; L104-F338 HydrophobicContact CD2-CB 4.2Å; L104-F338 HydrophobicContact CD2-CD1 3.94Å; L104-F338 HydrophobicContact CD2-CD2 4.05Å; L104-F338 HydrophobicContact CD2-CE1 4.34Å; L104-F338 HydrophobicContact CD2-CE2 4.44Å; L104-F338 HydrophobicContact CD2-CG 3.78Å; L104-F338 HydrophobicContact CG-CD2 4.29Å; L104-F338 HydrophobicContact CG-CE2 4.31Å; L104-F338 HydrophobicContact CG-CG 4.49Å |
| 105 | Y | 97.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 128.2 | -174.3 | -58.7 | -90 | 0 | 0 | 0 | 110.3 | L28 M59 K60 I61 A97 F98 D100 N103 | L28-Y105 HydrophobicContact CD1-CD1 4.14Å; L28-Y105 HydrophobicContact CD1-CE1 3.62Å; L28-Y105 HydrophobicContact CD2-CE1 4.28Å; L28-Y105 HydrophobicContact CG-CE1 4.46Å; M59-Y105 HydrophobicContact CG-CD1 4.19Å; M59-Y105 HydrophobicContact SD-CD1 3.71Å; M59-Y105 HydrophobicContact SD-CE1 4.29Å; K60-Y105 WeakPolarHBondContact O-CA 3.32Å; I61-Y105 HydrophobicContact CB-CD1 4.42Å; I61-Y105 HydrophobicContact CB-CE1 4.36Å; I61-Y105 HydrophobicContact CG1-CD1 3.85Å; I61-Y105 HydrophobicContact CG1-CE1 3.91Å; I61-Y105 HydrophobicContact CG2-CD1 4.2Å; I61-Y105 HydrophobicContact CG2-CE1 3.72Å; A97-Y105 VanDerWaalsContact CA-O 3.26Å; A97-Y105 WeakPolarHBondContact CA-O 3.22Å; F98-Y105 AromaticContact CD2-CD2 3.44Å; F98-Y105 HydrophobicContact CD2-CD2 3.44Å; F98-Y105 VanDerWaalsContact CD2-CD2 3.44Å; F98-Y105 HydrophobicContact CD2-CE2 4.27Å; F98-Y105 AromaticContact CD2-CG 3.75Å; F98-Y105 HydrophobicContact CD2-CG 3.75Å; F98-Y105 AromaticContact CE2-CD1 3.93Å; F98-Y105 HydrophobicContact CE2-CD1 3.93Å; F98-Y105 AromaticContact CE2-CD2 3.31Å; F98-Y105 HydrophobicContact CE2-CD2 3.31Å; F98-Y105 AromaticContact CE2-CE2 3.98Å; F98-Y105 HydrophobicContact CE2-CE2 3.98Å; F98-Y105 AromaticContact CE2-CG 3.28Å; F98-Y105 HydrophobicContact CE2-CG 3.28Å; F98-Y105 HydrophobicContact CG-CD2 4.44Å; F98-Y105 HydrophobicContact CZ-CD1 4.18Å; F98-Y105 HydrophobicContact CZ-CD2 4.25Å; F98-Y105 AromaticContact CZ-CG 3.77Å; F98-Y105 HydrophobicContact CZ-CG 3.77Å; F98-Y105 PolarHBondContact N-O 3.04Å; F98-Y105 VanDerWaalsContact N-O 3.07Å; F98-Y105 WeakPolarHBondContact O-CB 3.46Å; F98-Y105 PolarHBondContact O-N 3.06Å; D100-Y105 HydrophobicContact CB-CE2 4.24Å; D100-Y105 WeakPolarHBondContact OD2-CE2 3.33Å; D100-Y105 PolarHBondContact OD2-OH 2.91Å; N103-Y105 HydrophobicContact CB-CD2 4.42Å; N103-Y105 HydrophobicContact CB-CE1 4.29Å; N103-Y105 HydrophobicContact CB-CE2 3.58Å; N103-Y105 WeakPolarHBondContact CB-OH 3.43Å; N103-Y105 PolarHBondContact ND2-OH 2.66Å |
| 106 | M | 97.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 112.7 | 169.8 | -68 | 179.1 | -76.2 | 0 | 0 | 108.3 | M59 K60 L62 E79 K80 L83 L94 F338 | M59-M106 WeakPolarHBondContact CA-O 3.27Å; K60-M106 HydrophobicContact CB-CB 4.35Å; K60-M106 HydrophobicContact CD-CE 3.87Å; K60-M106 HydrophobicContact CG-CE 4.19Å; K60-M106 PolarHBondContact N-O 3.11Å; K60-M106 PolarHBondContact O-N 2.98Å; L62-M106 HydrophobicContact CD1-CE 3.72Å; L62-M106 HydrophobicContact CG-CE 4.46Å; E79-M106 HydrophobicContact CG-CE 4.21Å; E79-M106 HydrophobicContact CG-SD 4.06Å; K80-M106 HydrophobicContact CB-SD 3.95Å; L83-M106 HydrophobicContact CD1-SD 4.49Å; L94-M106 HydrophobicContact CD1-CB 3.75Å; L94-M106 HydrophobicContact CD1-CG 4.29Å; M106-F338 HydrophobicContact CG-CZ 3.92Å |
| 107 | V | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 107.9 | -176.9 | -173.1 | 0 | 0 | 0 | 0 | 108.7 | F31 Y57 M59 E95 Y96 F98 | F31-V107 HydrophobicContact CE1-CG1 3.87Å; F31-V107 HydrophobicContact CE2-CG2 4.29Å; F31-V107 HydrophobicContact CZ-CG1 4.06Å; F31-V107 HydrophobicContact CZ-CG2 4.08Å; Y57-V107 VanDerWaalsContact CB-CG1 3.43Å; Y57-V107 HydrophobicContact CD1-CG1 3.99Å; Y57-V107 HydrophobicContact CD2-CG1 4.28Å; Y57-V107 HydrophobicContact CG-CG1 3.65Å; M59-V107 HydrophobicContact CE-CG2 3.75Å; M59-V107 HydrophobicContact CG-CG2 4.11Å; E95-V107 PolarHBondContact N-O 2.89Å; Y96-V107 HydrophobicContact CD2-CB 3.9Å; Y96-V107 HydrophobicContact CD2-CG1 3.8Å; Y96-V107 HydrophobicContact CG-CB 4.38Å; Y96-V107 PolarHBondContact N-O 3.16Å; Y96-V107 PolarHBondContact O-N 3.19Å; F98-V107 HydrophobicContact CE1-CG2 3.77Å; F98-V107 HydrophobicContact CZ-CG2 4.47Å |
| 108 | M | 97.3 | Very high | 96.9 | Very high | 5 Ų | 5 | 20.7 Ų | 20.7 | 3% | 0.025 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 159.6 | -175.1 | -61 | 166.6 | -66.7 | 0 | 0 | 110.9 | Y57 A58 K60 L83 V92 R93 L94 Y110 | Y57-M108 WeakPolarHBondContact CA-O 2.92Å; Y57-M108 WeakPolarHBondContact CB-O 3.43Å; A58-M108 PolarHBondContact N-O 2.8Å; A58-M108 PolarHBondContact O-N 2.76Å; K60-M108 HydrophobicContact CB-CE 3.75Å; L83-M108 HydrophobicContact CD1-SD 4.48Å; V92-M108 HydrophobicContact CG1-SD 4.18Å; V92-M108 HydrophobicContact CG2-CB 3.92Å; R93-M108 CarbonylContact O-C 3.59Å; R93-M108 WeakPolarHBondContact O-CA 3.19Å; L94-M108 HydrophobicContact CD1-CG 4.12Å; M108-Y110 PolarHBondContact O-N 3.03Å |
| 109 | E | 95.7 | Very high | 97 | Very high | 35 Ų | 35 | 19.6 Ų | 19.6 | 16% | 0.164 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.5 | 136.8 | 170.3 | 71.6 | -173.4 | 134.8 | 0 | 0 | 110.9 | V92 R93 V111 | V92-E109 HydrophobicContact CG2-CG 3.63Å; R93-E109 IonicContact CZ-OE1 3.83Å; R93-E109 IonicContact CZ-OE2 3.16Å; R93-E109 PolarHBondContact N-OE1 2.56Å; R93-E109 IonicContact NH1-OE1 2.75Å; R93-E109 PolarHBondContact NH1-OE1 3.3Å; R93-E109 IonicContact NH1-OE2 3.19Å; R93-E109 PolarHBondContact NH1-OE2 2.93Å; R93-E109 IonicContact NH2-OE2 3.62Å; R93-E109 PolarHBondContact NH2-OE2 2.92Å; R93-E109 PolarHBondContact O-N 2.86Å; E109-V111 HydrophobicContact CG-CG2 4.42Å |
| 110 | Y | 97.8 | Very high | 97 | Very high | 26 Ų | 26 | 16.1 Ų | 16.1 | 10% | 0.102 | 8% | 0.084 | C | C | . | . | trans | -80.2 | 128.4 | 177 | 176.9 | -128 | 0 | 0 | 0 | 110.8 | L37 L47 A58 M108 P112 S309 D311 F315 | L37-Y110 HydrophobicContact CD1-CD2 3.82Å; L37-Y110 HydrophobicContact CD1-CE2 3.58Å; L37-Y110 HydrophobicContact CD2-CE2 4.12Å; L47-Y110 HydrophobicContact CD1-CD1 3.64Å; L47-Y110 HydrophobicContact CD1-CD2 3.84Å; L47-Y110 HydrophobicContact CD1-CE1 3.8Å; L47-Y110 HydrophobicContact CD1-CE2 4.03Å; L47-Y110 HydrophobicContact CD1-CG 3.65Å; A58-Y110 HydrophobicContact CB-CD2 4.45Å; M108-Y110 PolarHBondContact O-N 3.03Å; Y110-P112 HydrophobicContact CD1-CB 4.32Å; Y110-P112 HydrophobicContact CE1-CB 3.68Å; Y110-S309 WeakPolarHBondContact CD1-O 3.42Å; Y110-S309 WeakPolarHBondContact CE1-O 3.49Å; Y110-D311 PolarHBondContact OH-O 3.46Å; Y110-F315 HydrophobicContact CE2-CD2 4.49Å; Y110-F315 AromaticContact CE2-CE2 3.68Å; Y110-F315 HydrophobicContact CE2-CE2 3.68Å; Y110-F315 AromaticContact CE2-CZ 3.93Å; Y110-F315 HydrophobicContact CE2-CZ 3.93Å; Y110-F315 AromaticContact CZ-CE2 3.9Å; Y110-F315 VanDerWaalsContact OH-CE2 3.3Å; Y110-F315 WeakPolarHBondContact OH-CE2 3.16Å | ||
| 111 | V | 97.8 | Very high | 97.1 | Very high | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.03 | 10% | 0.096 | C | C | . | . | trans | -111.3 | 100.1 | 179.3 | -173.4 | 0 | 0 | 0 | 0 | 109 | E109 G113 L161 I162 D163 Q169 F315 | E109-V111 HydrophobicContact CG-CG2 4.42Å; V111-G113 VanDerWaalsContact C-N 3.34Å; V111-G113 PolarHBondContact O-N 3.28Å; V111-L161 HydrophobicContact CB-CB 3.91Å; V111-L161 HydrophobicContact CB-CD1 3.84Å; V111-L161 HydrophobicContact CG1-CB 3.61Å; V111-L161 HydrophobicContact CG1-CD1 4.49Å; V111-L161 HydrophobicContact CG2-CB 4.49Å; V111-L161 HydrophobicContact CG2-CD1 4.18Å; V111-I162 WeakPolarHBondContact CG1-O 3.22Å; V111-D163 HydrophobicContact CG1-CB 3.87Å; V111-Q169 HydrophobicContact CG1-CB 4.3Å; V111-Q169 HydrophobicContact CG1-CG 4.12Å; V111-Q169 HydrophobicContact CG2-CB 3.88Å; V111-Q169 HydrophobicContact CG2-CG 3.86Å; V111-F315 VanDerWaalsContact O-CZ 3.32Å; V111-F315 WeakPolarHBondContact O-CZ 3.28Å | ||
| 112 | P | 96.6 | Very high | 97 | Very high | 14 Ų | 14 | 25.1 Ų | 25.1 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -12.3 | -164 | 30 | -37.1 | 0 | 0 | 0 | 115.1 | Y110 G114 F306 N314 | Y110-P112 HydrophobicContact CD1-CB 4.32Å; Y110-P112 HydrophobicContact CE1-CB 3.68Å; P112-G114 PolarHBondContact O-N 3.16Å; P112-F306 HydrophobicContact CB-CD2 4.3Å; P112-F306 HydrophobicContact CB-CG 4.37Å; P112-F306 HydrophobicContact CG-CD2 4.3Å; P112-F306 HydrophobicContact CG-CE2 4.24Å; P112-F306 HydrophobicContact CG-CG 4.47Å; P112-F306 HydrophobicContact CG-CZ 4.36Å; P112-N314 PolarHBondContact O-ND2 3.47Å; P112-N314 VanDerWaalsContact O-ND2 3.17Å |
| 113 | G | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -7.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | V111 H119 I162 N314 | V111-G113 VanDerWaalsContact C-N 3.34Å; V111-G113 PolarHBondContact O-N 3.28Å; G113-H119 PolarHBondContact O-NE2 3.4Å; G113-I162 CarbonylContact C-O 3.51Å; G113-I162 WeakPolarHBondContact CA-O 3.32Å; G113-I162 PolarHBondContact N-O 2.77Å; G113-I162 VanDerWaalsContact N-O 3.1Å; G113-N314 VanDerWaalsContact O-CB 3.31Å; G113-N314 WeakPolarHBondContact O-CB 3.22Å |
| 114 | G | 96.1 | Very high | 97 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | trans | 75.6 | -169.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | P112 L161 I162 | P112-G114 PolarHBondContact O-N 3.16Å; G114-L161 CarbonylContact O-C 3.37Å; G114-L161 VanDerWaalsContact O-CA 3.3Å; G114-L161 WeakPolarHBondContact O-CA 3.47Å; G114-I162 PolarHBondContact O-N 3.45Å | ||
| 115 | E | 97.1 | Very high | 97 | Very high | 46 Ų | 46 | 35.2 Ų | 35.2 | 22% | 0.215 | 17% | 0.165 | C | C | . | . | B | Isolated β-bridge | trans | -78.8 | 141.2 | -172.4 | -59.3 | 177.9 | -171.6 | 0 | 0 | 112.5 | F117 S118 H119 L161 | E115-F117 HydrophobicContact CB-CB 4.19Å; E115-F117 PolarHBondContact O-N 3.38Å; E115-S118 PolarHBondContact O-N 3.23Å; E115-H119 PolarHBondContact O-CD2 2.84Å; E115-H119 PolarHBondContact O-N 3.4Å; E115-L161 HydrophobicContact CG-CD2 3.9Å |
| 116 | M | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -55.5 | -36.1 | 167.5 | 178.1 | -173.8 | -65.6 | 0 | 0 | 110.6 | S118 H119 L120 F126 Y134 P157 L160 I168 L215 M219 | M116-S118 PolarHBondContact O-N 2.99Å; M116-H119 PolarHBondContact O-N 3.34Å; M116-L120 VanDerWaalsContact O-CB 3.3Å; M116-L120 WeakPolarHBondContact O-CB 3.15Å; M116-L120 PolarHBondContact O-N 3.3Å; M116-F126 HydrophobicContact CG-CE2 3.93Å; M116-F126 HydrophobicContact CG-CZ 4.25Å; M116-F126 HydrophobicContact SD-CE2 4.21Å; M116-Y134 HydrophobicContact CE-CD1 4.4Å; M116-Y134 HydrophobicContact CE-CD2 3.46Å; M116-Y134 VanDerWaalsContact CE-CD2 3.46Å; M116-Y134 HydrophobicContact CE-CE2 4.01Å; M116-Y134 HydrophobicContact CE-CG 3.68Å; M116-Y134 HydrophobicContact SD-CD2 4.37Å; M116-P157 HydrophobicContact CB-CB 4.37Å; M116-P157 WeakPolarHBondContact CB-O 3.35Å; M116-P157 HydrophobicContact CG-CB 4.34Å; M116-P157 PolarHBondContact N-O 3.5Å; M116-P157 HydrophobicContact SD-CB 4.47Å; M116-L160 HydrophobicContact CB-CB 4.06Å; M116-L160 WeakPolarHBondContact CB-O 3.42Å; M116-L160 HydrophobicContact CE-CB 4.17Å; M116-L160 HydrophobicContact CE-CD1 3.74Å; M116-L160 PolarHBondContact N-O 3.35Å; M116-L160 HydrophobicContact SD-CD1 4Å; M116-I168 HydrophobicContact CE-CD1 3.33Å; M116-I168 HydrophobicContact CE-CG1 4.13Å; M116-L215 HydrophobicContact SD-CD1 4.45Å; M116-M219 HydrophobicContact CE-SD 4.12Å; M116-M219 HydrophobicContact SD-CG 4.05Å; M116-M219 HydrophobicContact SD-SD 3.72Å |
| 117 | F | 97.1 | Very high | 97.1 | Very high | 59 Ų | 59 | 38.8 Ų | 38.8 | 26% | 0.259 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -51.3 | -56.3 | 177 | -176.2 | -96.4 | 0 | 0 | 0 | 112.2 | E115 H119 L120 R121 P157 E158 | E115-F117 HydrophobicContact CB-CB 4.19Å; E115-F117 PolarHBondContact O-N 3.38Å; F117-H119 VanDerWaalsContact C-N 3.29Å; F117-H119 PolarHBondContact O-N 2.89Å; F117-L120 PolarHBondContact O-N 2.86Å; F117-R121 HydrophobicContact CD1-CG 4.16Å; F117-R121 HydrophobicContact CD2-CG 4.49Å; F117-R121 HydrophobicContact CE1-CG 3.83Å; F117-R121 HydrophobicContact CE2-CG 4.2Å; F117-R121 HydrophobicContact CG-CG 4.47Å; F117-R121 HydrophobicContact CZ-CG 3.86Å; F117-R121 WeakPolarHBondContact O-CG 3.4Å; F117-R121 PolarHBondContact O-N 2.85Å; F117-P157 HydrophobicContact CB-CB 3.83Å; F117-P157 HydrophobicContact CD2-CB 4.22Å; F117-P157 PolarHBondContact N-O 3.4Å; F117-E158 HydrophobicContact CB-CG 3.96Å; F117-E158 HydrophobicContact CD2-CG 3.99Å; F117-E158 HydrophobicContact CG-CG 3.93Å |
| 118 | S | 95.7 | Very high | 97.2 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 25% | 0.252 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -60.4 | -39.3 | -178.4 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | E115 M116 R122 | E115-S118 PolarHBondContact O-N 3.23Å; M116-S118 PolarHBondContact O-N 2.99Å; S118-R122 VanDerWaalsContact O-CB 3.27Å; S118-R122 WeakPolarHBondContact O-CB 3.39Å; S118-R122 PolarHBondContact O-N 3.37Å |
| 119 | H | 96.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 1% | 0.014 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.2 | -44 | 175.5 | -67.3 | -53.5 | 0 | 0 | 0 | 113.3 | G113 E115 M116 F117 R122 I123 I162 F302 | G113-H119 PolarHBondContact O-NE2 3.4Å; E115-H119 PolarHBondContact O-CD2 2.84Å; E115-H119 PolarHBondContact O-N 3.4Å; M116-H119 PolarHBondContact O-N 3.34Å; F117-H119 VanDerWaalsContact C-N 3.29Å; F117-H119 PolarHBondContact O-N 2.89Å; H119-R122 PolarHBondContact CE1-NH2 2.98Å; H119-R122 PolarHBondContact ND1-NH2 2.78Å; H119-R122 PolarHBondContact O-N 3.36Å; H119-I123 WeakPolarHBondContact O-CB 3.36Å; H119-I123 WeakPolarHBondContact O-CG1 3.44Å; H119-I123 PolarHBondContact O-N 3.37Å; H119-I162 VanDerWaalsContact CD2-CD1 3.45Å; H119-I162 WeakPolarHBondContact CD2-CD1 3.44Å; H119-F302 AromaticContact CD2-CE1 3.9Å; H119-F302 AromaticContact CE1-CE1 3.64Å; H119-F302 AromaticContact CE1-CZ 3.52Å; H119-F302 AromaticContact CG-CE1 3.93Å; H119-F302 AromaticContact ND1-CE1 3.79Å; H119-F302 AromaticContact ND1-CZ 3.6Å; H119-F302 AromaticContact NE2-CE1 3.64Å |
| 120 | L | 98 | Very high | 97.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.5 | -46.1 | 178.9 | 179.5 | 60.6 | 0 | 0 | 0 | 110.5 | M116 F117 R122 I123 G124 F126 E218 | M116-L120 VanDerWaalsContact O-CB 3.3Å; M116-L120 WeakPolarHBondContact O-CB 3.15Å; M116-L120 PolarHBondContact O-N 3.3Å; F117-L120 PolarHBondContact O-N 2.86Å; L120-R122 PolarHBondContact O-N 2.83Å; L120-I123 PolarHBondContact O-N 2.91Å; L120-G124 CarbonylContact O-C 3.59Å; L120-G124 WeakPolarHBondContact O-CA 3.33Å; L120-G124 PolarHBondContact O-N 2.87Å; L120-F126 HydrophobicContact CB-CE1 4.35Å; L120-F126 HydrophobicContact CB-CE2 4.26Å; L120-F126 HydrophobicContact CB-CZ 3.84Å; L120-F126 HydrophobicContact CD1-CD1 4.11Å; L120-F126 HydrophobicContact CD1-CD2 4.05Å; L120-F126 HydrophobicContact CD1-CE1 4.06Å; L120-F126 HydrophobicContact CD1-CE2 4Å; L120-F126 HydrophobicContact CD1-CG 4.09Å; L120-F126 HydrophobicContact CD1-CZ 4Å; L120-E218 HydrophobicContact CD2-CG 3.9Å |
| 121 | R | 96.9 | Very high | 97.5 | Very high | 110 Ų | 110 | 42.2 Ų | 42.2 | 42% | 0.415 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -62.3 | -41.7 | 177.4 | -67.5 | -68 | 169.1 | -144.7 | -9.8 | 112.4 | F117 G124 E218 G222 | F117-R121 HydrophobicContact CD1-CG 4.16Å; F117-R121 HydrophobicContact CD2-CG 4.49Å; F117-R121 HydrophobicContact CE1-CG 3.83Å; F117-R121 HydrophobicContact CE2-CG 4.2Å; F117-R121 HydrophobicContact CG-CG 4.47Å; F117-R121 HydrophobicContact CZ-CG 3.86Å; F117-R121 WeakPolarHBondContact O-CG 3.4Å; F117-R121 PolarHBondContact O-N 2.85Å; R121-G124 PolarHBondContact O-N 2.82Å; R121-E218 IonicContact CZ-OE1 3.74Å; R121-E218 IonicContact NH2-OE1 2.67Å; R121-E218 PolarHBondContact NH2-OE1 2.92Å; R121-G222 PolarHBondContact NH1-O 2.89Å |
| 122 | R | 95.6 | Very high | 97.5 | Very high | 161 Ų | 161 | 43.8 Ų | 43.8 | 61% | 0.608 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -67.5 | -38.1 | 178.5 | -174.4 | 172 | 65.2 | -159.6 | 3.7 | 113.2 | S118 H119 L120 | S118-R122 VanDerWaalsContact O-CB 3.27Å; S118-R122 WeakPolarHBondContact O-CB 3.39Å; S118-R122 PolarHBondContact O-N 3.37Å; H119-R122 PolarHBondContact CE1-NH2 2.98Å; H119-R122 PolarHBondContact ND1-NH2 2.78Å; H119-R122 PolarHBondContact O-N 3.36Å; L120-R122 PolarHBondContact O-N 2.83Å |
| 123 | I | 95.8 | Very high | 97.6 | Very high | 88 Ų | 88 | 43.8 Ų | 43.8 | 45% | 0.451 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -84.2 | -22.4 | -179.7 | -66.5 | 166.3 | 0 | 0 | 0 | 111.3 | H119 L120 R125 F126 | H119-I123 WeakPolarHBondContact O-CB 3.36Å; H119-I123 WeakPolarHBondContact O-CG1 3.44Å; H119-I123 PolarHBondContact O-N 3.37Å; L120-I123 PolarHBondContact O-N 2.91Å; I123-R125 WeakPolarHBondContact CG2-O 3.2Å; I123-R125 PolarHBondContact O-N 2.71Å; I123-F126 HydrophobicContact CB-CE1 4.49Å; I123-F126 HydrophobicContact CD1-CE1 3.96Å; I123-F126 HydrophobicContact CG2-CD1 4.46Å |
| 124 | G | 97.9 | Very high | 97.8 | Very high | 40 Ų | 40 | 43.8 Ų | 43.8 | 41% | 0.412 | 22% | 0.217 | S | C | . | . | S | Bend | trans | 92 | -59.6 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L120 R121 G222 | L120-G124 CarbonylContact O-C 3.59Å; L120-G124 WeakPolarHBondContact O-CA 3.33Å; L120-G124 PolarHBondContact O-N 2.87Å; R121-G124 PolarHBondContact O-N 2.82Å; G124-G222 WeakPolarHBondContact O-CA 3.17Å |
| 125 | R | 98.3 | Very high | 97.9 | Very high | 112 Ų | 112 | 43.8 Ų | 43.8 | 42% | 0.423 | 22% | 0.217 | S | C | . | . | trans | -156.1 | 154.1 | 175.2 | 70.1 | -165.2 | -179.1 | 103 | -1.7 | 111.7 | I123 A220 H248 | I123-R125 WeakPolarHBondContact CG2-O 3.2Å; I123-R125 PolarHBondContact O-N 2.71Å; R125-A220 WeakPolarHBondContact CD-O 3.33Å; R125-A220 PolarHBondContact NH1-O 3Å; R125-H248 PolarHBondContact NH1-CD2 3.29Å; R125-H248 PolarHBondContact NH1-CE1 2.64Å; R125-H248 PolarHBondContact NH1-NE2 3.14Å | ||
| 126 | F | 98.7 | Very high | 98 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.018 | 21% | 0.207 | C | C | . | . | trans | -86.1 | 151.5 | 173.2 | -59.2 | -28.7 | 0 | 0 | 0 | 111.6 | M116 L120 I123 H130 A131 Y134 M219 | M116-F126 HydrophobicContact CG-CE2 3.93Å; M116-F126 HydrophobicContact CG-CZ 4.25Å; M116-F126 HydrophobicContact SD-CE2 4.21Å; L120-F126 HydrophobicContact CB-CE1 4.35Å; L120-F126 HydrophobicContact CB-CE2 4.26Å; L120-F126 HydrophobicContact CB-CZ 3.84Å; L120-F126 HydrophobicContact CD1-CD1 4.11Å; L120-F126 HydrophobicContact CD1-CD2 4.05Å; L120-F126 HydrophobicContact CD1-CE1 4.06Å; L120-F126 HydrophobicContact CD1-CE2 4Å; L120-F126 HydrophobicContact CD1-CG 4.09Å; L120-F126 HydrophobicContact CD1-CZ 4Å; I123-F126 HydrophobicContact CB-CE1 4.49Å; I123-F126 HydrophobicContact CD1-CE1 3.96Å; I123-F126 HydrophobicContact CG2-CD1 4.46Å; F126-H130 HydrophobicContact CB-CB 4.04Å; F126-H130 AromaticContact CD1-CE1 3.53Å; F126-H130 AromaticContact CD1-ND1 3.61Å; F126-H130 AromaticContact CE1-CE1 3.8Å; F126-H130 AromaticContact CG-CE1 3.89Å; F126-H130 AromaticContact CG-CG 3.94Å; F126-H130 AromaticContact CG-ND1 3.75Å; F126-A131 HydrophobicContact CB-CB 4.39Å; F126-Y134 HydrophobicContact CD2-CD2 4.12Å; F126-Y134 HydrophobicContact CD2-CE2 4.07Å; F126-Y134 AromaticContact CE2-CD2 3.96Å; F126-Y134 HydrophobicContact CE2-CD2 3.96Å; F126-Y134 AromaticContact CE2-CE2 3.67Å; F126-Y134 HydrophobicContact CE2-CE2 3.67Å; F126-Y134 HydrophobicContact CZ-CE2 4.22Å; F126-M219 HydrophobicContact CD2-CB 3.97Å; F126-M219 HydrophobicContact CD2-CG 3.95Å; F126-M219 HydrophobicContact CD2-SD 4.17Å; F126-M219 HydrophobicContact CE2-CG 4.26Å; F126-M219 HydrophobicContact CE2-SD 4.44Å; F126-M219 PolarHBondContact N-O 3.34Å | ||
| 127 | S | 98.8 | Very high | 98 | Very high | 71 Ų | 71 | 41.6 Ų | 41.6 | 50% | 0.497 | 21% | 0.207 | S | C | . | . | trans | -66.9 | 157.5 | 167.4 | 68.6 | 0 | 0 | 0 | 0 | 110.1 | H130 A131 | S127-H130 WeakPolarHBondContact O-CB 3.45Å; S127-H130 PolarHBondContact O-N 2.93Å; S127-H130 VanDerWaalsContact O-N 3.09Å; S127-H130 WeakPolarHBondContact OG-CB 3.47Å; S127-H130 PolarHBondContact OG-N 3.25Å; S127-A131 PolarHBondContact O-N 2.78Å | ||
| 128 | E | 98.8 | Very high | 98.1 | Very high | 36 Ų | 36 | 38.9 Ų | 38.9 | 17% | 0.168 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.1 | -41.7 | 179.2 | -66.1 | -166.5 | -158.8 | 0 | 0 | 113.6 | H130 A131 R132 S250 L253 W284 | E128-H130 VanDerWaalsContact C-N 3.31Å; E128-H130 PolarHBondContact O-N 2.82Å; E128-A131 PolarHBondContact O-N 3.43Å; E128-R132 WeakPolarHBondContact O-CB 3.33Å; E128-R132 PolarHBondContact O-N 2.94Å; E128-S250 WeakPolarHBondContact OE1-CB 3.45Å; E128-S250 PolarHBondContact OE1-N 3.2Å; E128-S250 PolarHBondContact OE1-OG 2.99Å; E128-S250 WeakPolarHBondContact OE2-CB 3.25Å; E128-S250 PolarHBondContact OE2-OG 3.1Å; E128-L253 HydrophobicContact CG-CD2 3.91Å; E128-L253 WeakPolarHBondContact OE1-CD2 3.48Å; E128-W284 HydrophobicContact CB-CZ2 4.28Å; E128-W284 PolarHBondContact OE2-NE1 2.96Å |
| 129 | P | 98.8 | Very high | 98.3 | Very high | 82 Ų | 82 | 37.1 Ų | 37.1 | 53% | 0.532 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -60.8 | -37.8 | 173.8 | -25.3 | 36 | 0 | 0 | 0 | 113.5 | R132 F133 | P129-R132 PolarHBondContact O-N 3.43Å; P129-F133 PolarHBondContact O-N 2.7Å |
| 130 | H | 98.8 | Very high | 98.3 | Very high | 20 Ų | 20 | 37.1 Ų | 37.1 | 9% | 0.093 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.6 | -50 | 176.8 | -176.4 | 172.1 | 0 | 0 | 0 | 111.1 | F126 S127 E128 R132 F133 Y134 P301 | F126-H130 HydrophobicContact CB-CB 4.04Å; F126-H130 AromaticContact CD1-CE1 3.53Å; F126-H130 AromaticContact CD1-ND1 3.61Å; F126-H130 AromaticContact CE1-CE1 3.8Å; F126-H130 AromaticContact CG-CE1 3.89Å; F126-H130 AromaticContact CG-CG 3.94Å; F126-H130 AromaticContact CG-ND1 3.75Å; S127-H130 WeakPolarHBondContact O-CB 3.45Å; S127-H130 PolarHBondContact O-N 2.93Å; S127-H130 VanDerWaalsContact O-N 3.09Å; S127-H130 WeakPolarHBondContact OG-CB 3.47Å; S127-H130 PolarHBondContact OG-N 3.25Å; E128-H130 VanDerWaalsContact C-N 3.31Å; E128-H130 PolarHBondContact O-N 2.82Å; H130-R132 VanDerWaalsContact C-N 3.27Å; H130-R132 PolarHBondContact O-N 2.91Å; H130-F133 WeakPolarHBondContact O-CB 3.22Å; H130-F133 PolarHBondContact O-N 3.12Å; H130-Y134 AromaticContact CD2-CD2 3.85Å; H130-Y134 AromaticContact CD2-CE2 3.32Å; H130-Y134 WeakPolarHBondContact CD2-CE2 3.33Å; H130-Y134 AromaticContact CD2-CZ 3.69Å; H130-Y134 AromaticContact NE2-CE2 3.05Å; H130-Y134 WeakPolarHBondContact NE2-CE2 3.48Å; H130-Y134 AromaticContact NE2-CZ 3.25Å; H130-Y134 VanDerWaalsContact NE2-CZ 3.25Å; H130-Y134 PolarHBondContact NE2-OH 3.49Å; H130-Y134 PolarHBondContact O-N 2.89Å; H130-P301 HydrophobicContact CB-CB 4.05Å; H130-P301 HydrophobicContact CB-CG 4.16Å; H130-P301 WeakPolarHBondContact CD2-CG 3.38Å |
| 131 | A | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.7 | -39.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F126 S127 E128 Y134 A135 M219 W284 | F126-A131 HydrophobicContact CB-CB 4.39Å; S127-A131 PolarHBondContact O-N 2.78Å; E128-A131 PolarHBondContact O-N 3.43Å; A131-Y134 PolarHBondContact O-N 3.15Å; A131-A135 VanDerWaalsContact O-CB 3.24Å; A131-A135 WeakPolarHBondContact O-CB 3.27Å; A131-A135 PolarHBondContact O-N 3.25Å; A131-M219 HydrophobicContact CB-CB 3.83Å; A131-M219 HydrophobicContact CB-CE 4.14Å; A131-M219 HydrophobicContact CB-SD 4.44Å; A131-M219 WeakPolarHBondContact O-CE 3.39Å; A131-W284 HydrophobicContact CB-CH2 4.46Å |
| 132 | R | 98.9 | Very high | 98.5 | Very high | 37 Ų | 37 | 32 Ų | 32 | 14% | 0.14 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -39.9 | 176.9 | -174 | -171.6 | -56.5 | 150.4 | 3.6 | 112.5 | E128 P129 H130 Y134 A135 A136 W284 F285 T287 T288 | E128-R132 WeakPolarHBondContact O-CB 3.33Å; E128-R132 PolarHBondContact O-N 2.94Å; P129-R132 PolarHBondContact O-N 3.43Å; H130-R132 VanDerWaalsContact C-N 3.27Å; H130-R132 PolarHBondContact O-N 2.91Å; R132-Y134 PolarHBondContact O-N 3.33Å; R132-A135 PolarHBondContact O-N 2.98Å; R132-A136 VanDerWaalsContact O-CB 3.32Å; R132-A136 WeakPolarHBondContact O-CB 3.11Å; R132-A136 PolarHBondContact O-N 2.7Å; R132-W284 HydrophobicContact CB-CE3 4.43Å; R132-W284 HydrophobicContact CB-CH2 3.57Å; R132-W284 HydrophobicContact CB-CZ2 3.92Å; R132-W284 HydrophobicContact CB-CZ3 3.84Å; R132-W284 WeakPolarHBondContact CD-O 3.41Å; R132-W284 HydrophobicContact CG-CE3 4.16Å; R132-W284 HydrophobicContact CG-CH2 4.17Å; R132-W284 HydrophobicContact CG-CZ3 3.91Å; R132-W284 PolarHBondContact NE-O 2.96Å; R132-W284 PolarHBondContact NH2-O 3.07Å; R132-F285 HydrophobicContact CG-CD1 3.65Å; R132-F285 HydrophobicContact CG-CE1 3.78Å; R132-T287 PolarHBondContact NH1-OG1 3.44Å; R132-T288 WeakPolarHBondContact CD-OG1 3.34Å |
| 133 | F | 98.9 | Very high | 98.6 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.7 | -46.7 | 176.9 | 172.2 | -99.3 | 0 | 0 | 0 | 111.6 | P129 H130 Q137 Y167 I293 V298 A300 P301 | P129-F133 PolarHBondContact O-N 2.7Å; H130-F133 WeakPolarHBondContact O-CB 3.22Å; H130-F133 PolarHBondContact O-N 3.12Å; F133-Q137 VanDerWaalsContact CD1-NE2 3.28Å; F133-Q137 PolarHBondContact O-NE2 3.48Å; F133-Y167 HydrophobicContact CE2-CE1 4Å; F133-Y167 HydrophobicContact CE2-CE2 4.38Å; F133-Y167 AromaticContact CE2-CZ 3.85Å; F133-Y167 AromaticContact CZ-CD1 3.96Å; F133-Y167 HydrophobicContact CZ-CD1 3.96Å; F133-Y167 HydrophobicContact CZ-CD2 4.05Å; F133-Y167 AromaticContact CZ-CE1 3.74Å; F133-Y167 HydrophobicContact CZ-CE1 3.74Å; F133-Y167 AromaticContact CZ-CE2 3.8Å; F133-Y167 HydrophobicContact CZ-CE2 3.8Å; F133-Y167 HydrophobicContact CZ-CG 4.12Å; F133-Y167 AromaticContact CZ-CZ 3.64Å; F133-I293 HydrophobicContact CD2-CD1 3.57Å; F133-I293 HydrophobicContact CE2-CD1 3.7Å; F133-V298 HydrophobicContact CD2-CG1 4.13Å; F133-V298 HydrophobicContact CE2-CB 4.15Å; F133-V298 HydrophobicContact CE2-CG1 4.05Å; F133-A300 HydrophobicContact CE1-CB 3.87Å; F133-A300 HydrophobicContact CZ-CB 3.77Å; F133-P301 HydrophobicContact CB-CG 4.29Å; F133-P301 HydrophobicContact CD1-CG 3.81Å; F133-P301 HydrophobicContact CE1-CG 4.44Å; F133-P301 HydrophobicContact CG-CG 4.19Å |
| 134 | Y | 98.9 | Very high | 98.8 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -71.2 | -43 | 175.7 | -61.8 | -35.1 | 0 | 0 | 0 | 112.5 | M116 F126 H130 A131 R132 A136 Q137 I138 G166 I168 M219 | M116-Y134 HydrophobicContact CE-CD1 4.4Å; M116-Y134 HydrophobicContact CE-CD2 3.46Å; M116-Y134 VanDerWaalsContact CE-CD2 3.46Å; M116-Y134 HydrophobicContact CE-CE2 4.01Å; M116-Y134 HydrophobicContact CE-CG 3.68Å; M116-Y134 HydrophobicContact SD-CD2 4.37Å; F126-Y134 HydrophobicContact CD2-CD2 4.12Å; F126-Y134 HydrophobicContact CD2-CE2 4.07Å; F126-Y134 AromaticContact CE2-CD2 3.96Å; F126-Y134 HydrophobicContact CE2-CD2 3.96Å; F126-Y134 AromaticContact CE2-CE2 3.67Å; F126-Y134 HydrophobicContact CE2-CE2 3.67Å; F126-Y134 HydrophobicContact CZ-CE2 4.22Å; H130-Y134 AromaticContact CD2-CD2 3.85Å; H130-Y134 AromaticContact CD2-CE2 3.32Å; H130-Y134 WeakPolarHBondContact CD2-CE2 3.33Å; H130-Y134 AromaticContact CD2-CZ 3.69Å; H130-Y134 AromaticContact NE2-CE2 3.05Å; H130-Y134 WeakPolarHBondContact NE2-CE2 3.48Å; H130-Y134 AromaticContact NE2-CZ 3.25Å; H130-Y134 VanDerWaalsContact NE2-CZ 3.25Å; H130-Y134 PolarHBondContact NE2-OH 3.49Å; H130-Y134 PolarHBondContact O-N 2.89Å; A131-Y134 PolarHBondContact O-N 3.15Å; R132-Y134 PolarHBondContact O-N 3.33Å; Y134-A136 VanDerWaalsContact C-N 3.26Å; Y134-A136 PolarHBondContact O-N 2.86Å; Y134-Q137 WeakPolarHBondContact O-CB 3.42Å; Y134-Q137 PolarHBondContact O-N 2.7Å; Y134-I138 PolarHBondContact O-N 2.87Å; Y134-I138 VanDerWaalsContact O-N 3.14Å; Y134-G166 WeakPolarHBondContact CE1-O 3.12Å; Y134-I168 HydrophobicContact CD1-CD1 3.61Å; Y134-I168 HydrophobicContact CD1-CG1 3.6Å; Y134-I168 HydrophobicContact CE1-CD1 3.88Å; Y134-I168 HydrophobicContact CE1-CG1 4.26Å; Y134-I168 HydrophobicContact CG-CD1 4.03Å; Y134-I168 HydrophobicContact CG-CG1 4.09Å; Y134-M219 HydrophobicContact CD2-SD 3.99Å |
| 135 | A | 98.9 | Very high | 98.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.5 | -38.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A131 R132 Q137 I138 V139 L212 I216 M219 W284 F285 | A131-A135 VanDerWaalsContact O-CB 3.24Å; A131-A135 WeakPolarHBondContact O-CB 3.27Å; A131-A135 PolarHBondContact O-N 3.25Å; R132-A135 PolarHBondContact O-N 2.98Å; A135-Q137 VanDerWaalsContact C-N 3.3Å; A135-Q137 PolarHBondContact O-N 2.82Å; A135-I138 PolarHBondContact O-N 3.17Å; A135-V139 VanDerWaalsContact O-CG2 3.3Å; A135-V139 WeakPolarHBondContact O-CG2 3.27Å; A135-V139 PolarHBondContact O-N 2.59Å; A135-L212 HydrophobicContact CB-CD1 4.49Å; A135-I216 HydrophobicContact CB-CD1 3.85Å; A135-I216 HydrophobicContact CB-CG1 3.71Å; A135-M219 HydrophobicContact CB-CE 4.25Å; A135-W284 HydrophobicContact CB-CH2 4.45Å; A135-W284 HydrophobicContact CB-CZ3 4.15Å; A135-F285 HydrophobicContact CB-CE1 4.14Å; A135-F285 HydrophobicContact CB-CZ 3.91Å |
| 136 | A | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -61.1 | -38.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R132 Y134 V139 L140 F285 T288 W290 I293 | R132-A136 VanDerWaalsContact O-CB 3.32Å; R132-A136 WeakPolarHBondContact O-CB 3.11Å; R132-A136 PolarHBondContact O-N 2.7Å; Y134-A136 VanDerWaalsContact C-N 3.26Å; Y134-A136 PolarHBondContact O-N 2.86Å; A136-V139 PolarHBondContact O-N 3.16Å; A136-L140 WeakPolarHBondContact O-CG 3.32Å; A136-L140 PolarHBondContact O-N 3.29Å; A136-L140 VanDerWaalsContact O-N 3.13Å; A136-F285 HydrophobicContact CB-CE1 4.22Å; A136-T288 HydrophobicContact CB-CG2 3.74Å; A136-W290 HydrophobicContact CB-CE3 4.4Å; A136-W290 HydrophobicContact CB-CH2 4.16Å; A136-W290 HydrophobicContact CB-CZ3 3.8Å; A136-W290 WeakPolarHBondContact O-CZ3 3.16Å; A136-I293 HydrophobicContact CB-CG1 4.45Å; A136-I293 HydrophobicContact CB-CG2 4.42Å |
| 137 | Q | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -66.5 | -44 | 176.3 | -65 | 163.4 | 65.1 | 0 | 0 | 110.9 | F90 F133 Y134 A135 V139 L140 T141 Y167 I293 | F90-Q137 HydrophobicContact CD1-CB 4.43Å; F90-Q137 HydrophobicContact CD1-CG 4.26Å; F90-Q137 HydrophobicContact CD2-CB 3.81Å; F90-Q137 HydrophobicContact CD2-CG 4.21Å; F90-Q137 HydrophobicContact CE1-CG 4.05Å; F90-Q137 HydrophobicContact CE2-CB 4.01Å; F90-Q137 HydrophobicContact CE2-CG 3.99Å; F90-Q137 HydrophobicContact CG-CB 4.07Å; F90-Q137 HydrophobicContact CG-CG 4.37Å; F90-Q137 HydrophobicContact CZ-CB 4.41Å; F90-Q137 HydrophobicContact CZ-CG 3.91Å; F133-Q137 VanDerWaalsContact CD1-NE2 3.28Å; F133-Q137 PolarHBondContact O-NE2 3.48Å; Y134-Q137 WeakPolarHBondContact O-CB 3.42Å; Y134-Q137 PolarHBondContact O-N 2.7Å; A135-Q137 VanDerWaalsContact C-N 3.3Å; A135-Q137 PolarHBondContact O-N 2.82Å; Q137-V139 PolarHBondContact O-N 2.93Å; Q137-L140 PolarHBondContact O-N 2.84Å; Q137-T141 PolarHBondContact O-N 2.94Å; Q137-T141 PolarHBondContact O-OG1 3.27Å; Q137-T141 VanDerWaalsContact O-OG1 3.08Å; Q137-Y167 HydrophobicContact CG-CD1 4.31Å; Q137-I293 HydrophobicContact CG-CG2 3.71Å |
| 138 | I | 98.9 | Very high | 98.5 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.6 | -40.2 | 176.7 | -57 | -54.9 | 0 | 0 | 0 | 111.8 | Y134 A135 L140 T141 F142 L155 L160 I168 V170 L212 L215 | Y134-I138 PolarHBondContact O-N 2.87Å; Y134-I138 VanDerWaalsContact O-N 3.14Å; A135-I138 PolarHBondContact O-N 3.17Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-L140 PolarHBondContact O-N 2.97Å; I138-T141 PolarHBondContact O-N 3.26Å; I138-F142 HydrophobicContact CG2-CD2 3.91Å; I138-F142 HydrophobicContact CG2-CE1 4.28Å; I138-F142 HydrophobicContact CG2-CE2 3.61Å; I138-F142 HydrophobicContact CG2-CG 4.37Å; I138-F142 HydrophobicContact CG2-CZ 3.83Å; I138-F142 PolarHBondContact O-N 3.26Å; I138-L155 HydrophobicContact CD1-CD1 4.25Å; I138-L155 HydrophobicContact CG2-CD1 4.1Å; I138-L155 HydrophobicContact CG2-CD2 3.96Å; I138-L160 HydrophobicContact CD1-CD1 4.06Å; I138-L160 HydrophobicContact CD1-CD2 3.64Å; I138-L160 HydrophobicContact CG1-CD1 4.45Å; I138-I168 HydrophobicContact CD1-CG2 4.07Å; I138-V170 HydrophobicContact CD1-CG2 3.92Å; I138-L212 HydrophobicContact CB-CD1 4.06Å; I138-L212 HydrophobicContact CG2-CD1 3.85Å; I138-L215 HydrophobicContact CG1-CD2 4.12Å |
| 139 | V | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.3 | -45.4 | 174.6 | 168.6 | 0 | 0 | 0 | 0 | 111.1 | A135 A136 Q137 F142 E143 W209 L212 V276 I279 K280 F285 W290 | A135-V139 VanDerWaalsContact O-CG2 3.3Å; A135-V139 WeakPolarHBondContact O-CG2 3.27Å; A135-V139 PolarHBondContact O-N 2.59Å; A136-V139 PolarHBondContact O-N 3.16Å; Q137-V139 PolarHBondContact O-N 2.93Å; V139-F142 PolarHBondContact O-N 3.49Å; V139-E143 WeakPolarHBondContact O-CB 3.38Å; V139-E143 PolarHBondContact O-N 3.08Å; V139-W209 HydrophobicContact CG2-CZ3 4.29Å; V139-L212 HydrophobicContact CG2-CD2 3.56Å; V139-V276 HydrophobicContact CG1-CG2 3.71Å; V139-I279 HydrophobicContact CG1-CG2 4.46Å; V139-I279 HydrophobicContact CG2-CG2 3.84Å; V139-K280 HydrophobicContact CG1-CD 4.25Å; V139-K280 HydrophobicContact CG1-CG 3.77Å; V139-F285 HydrophobicContact CG2-CZ 4.29Å; V139-W290 HydrophobicContact CB-CH2 4.04Å; V139-W290 HydrophobicContact CB-CZ3 3.84Å; V139-W290 HydrophobicContact CG1-CH2 3.79Å; V139-W290 HydrophobicContact CG1-CZ3 3.68Å; V139-W290 HydrophobicContact CG2-CH2 4.37Å |
| 140 | L | 98.8 | Very high | 98.4 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 2% | 0.016 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 177.3 | -70.8 | 173.5 | 0 | 0 | 0 | 112 | F88 F90 A136 Q137 I138 E143 Y144 W290 I293 | F88-L140 HydrophobicContact CE1-CB 4.07Å; F88-L140 HydrophobicContact CZ-CB 3.96Å; F88-L140 WeakPolarHBondContact CZ-O 3.49Å; F90-L140 HydrophobicContact CE2-CB 4.21Å; F90-L140 HydrophobicContact CE2-CD1 3.96Å; A136-L140 WeakPolarHBondContact O-CG 3.32Å; A136-L140 PolarHBondContact O-N 3.29Å; A136-L140 VanDerWaalsContact O-N 3.13Å; Q137-L140 PolarHBondContact O-N 2.84Å; I138-L140 VanDerWaalsContact C-N 3.33Å; I138-L140 PolarHBondContact O-N 2.97Å; L140-E143 PolarHBondContact O-N 3.38Å; L140-Y144 PolarHBondContact O-N 3.15Å; L140-W290 HydrophobicContact CD1-CE3 4.25Å; L140-W290 HydrophobicContact CD2-CE3 3.93Å; L140-W290 HydrophobicContact CG-CE3 3.88Å; L140-W290 HydrophobicContact CG-CZ3 4.24Å; L140-I293 HydrophobicContact CD1-CB 4.33Å; L140-I293 HydrophobicContact CD1-CG2 3.82Å |
| 141 | T | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -62.1 | -46 | 175.7 | -64.8 | 0 | 0 | 0 | 0 | 111.7 | L91 Q137 I138 Y144 L145 V170 | L91-T141 HydrophobicContact CD2-CG2 3.39Å; L91-T141 HydrophobicContact CG-CG2 4.15Å; Q137-T141 PolarHBondContact O-N 2.94Å; Q137-T141 PolarHBondContact O-OG1 3.27Å; Q137-T141 VanDerWaalsContact O-OG1 3.08Å; I138-T141 PolarHBondContact O-N 3.26Å; T141-Y144 WeakPolarHBondContact O-CB 3.48Å; T141-Y144 PolarHBondContact O-N 2.67Å; T141-L145 HydrophobicContact CG2-CD1 3.98Å; T141-L145 HydrophobicContact CG2-CG 4.36Å; T141-L145 WeakPolarHBondContact O-CG 3.47Å; T141-L145 PolarHBondContact O-N 3Å; T141-V170 HydrophobicContact CG2-CG2 4.17Å |
| 142 | F | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 13 Ų | 13 | 1% | 0.013 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -67.7 | -39.5 | 176.5 | -71.9 | -13.8 | 0 | 0 | 0 | 112.4 | I138 V139 Y144 L145 H146 Y152 L155 D208 W209 L212 | I138-F142 HydrophobicContact CG2-CD2 3.91Å; I138-F142 HydrophobicContact CG2-CE1 4.28Å; I138-F142 HydrophobicContact CG2-CE2 3.61Å; I138-F142 HydrophobicContact CG2-CG 4.37Å; I138-F142 HydrophobicContact CG2-CZ 3.83Å; I138-F142 PolarHBondContact O-N 3.26Å; V139-F142 PolarHBondContact O-N 3.49Å; F142-Y144 VanDerWaalsContact C-N 3.26Å; F142-Y144 PolarHBondContact O-N 3.25Å; F142-L145 HydrophobicContact CD1-CD1 4.46Å; F142-L145 PolarHBondContact O-N 3.34Å; F142-H146 WeakPolarHBondContact O-CB 3.32Å; F142-H146 PolarHBondContact O-CD2 3.22Å; F142-H146 PolarHBondContact O-N 3.17Å; F142-Y152 AromaticContact CE1-CD1 3.96Å; F142-Y152 HydrophobicContact CE1-CD1 3.96Å; F142-Y152 HydrophobicContact CE1-CG 4.24Å; F142-Y152 HydrophobicContact CZ-CD1 4.33Å; F142-L155 HydrophobicContact CE2-CD2 3.88Å; F142-L155 HydrophobicContact CZ-CB 4.13Å; F142-L155 HydrophobicContact CZ-CD1 4.24Å; F142-L155 HydrophobicContact CZ-CD2 3.73Å; F142-L155 HydrophobicContact CZ-CG 4.26Å; F142-D208 HydrophobicContact CD1-CB 4.45Å; F142-D208 HydrophobicContact CD2-CB 3.96Å; F142-D208 HydrophobicContact CE1-CB 4.22Å; F142-D208 HydrophobicContact CE2-CB 3.7Å; F142-D208 VanDerWaalsContact CE2-O 3.25Å; F142-D208 WeakPolarHBondContact CE2-O 3.41Å; F142-D208 HydrophobicContact CG-CB 4.33Å; F142-D208 HydrophobicContact CZ-CB 3.82Å; F142-W209 HydrophobicContact CB-CH2 3.53Å; F142-W209 HydrophobicContact CB-CZ2 3.96Å; F142-W209 HydrophobicContact CB-CZ3 3.92Å; F142-W209 HydrophobicContact CD2-CE3 4Å; F142-W209 HydrophobicContact CD2-CH2 4.34Å; F142-W209 AromaticContact CD2-CZ3 3.87Å; F142-W209 HydrophobicContact CD2-CZ3 3.87Å; F142-W209 HydrophobicContact CG-CH2 4.48Å; F142-W209 HydrophobicContact CG-CZ3 4.43Å; F142-L212 HydrophobicContact CE2-CB 4.24Å |
| 143 | E | 98.6 | Very high | 98.3 | Very high | 37 Ų | 37 | 12 Ų | 12 | 17% | 0.173 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -54.3 | -45.3 | 171.7 | -178 | 172.2 | -155.3 | 0 | 0 | 111.2 | I8 V139 L140 S147 V276 K280 | I8-E143 HydrophobicContact CD1-CG 4.38Å; V139-E143 WeakPolarHBondContact O-CB 3.38Å; V139-E143 PolarHBondContact O-N 3.08Å; L140-E143 PolarHBondContact O-N 3.38Å; E143-S147 WeakPolarHBondContact O-CB 3.41Å; E143-S147 PolarHBondContact O-N 2.86Å; E143-V276 HydrophobicContact CB-CG1 4.48Å; E143-V276 HydrophobicContact CB-CG2 4.3Å; E143-V276 HydrophobicContact CG-CG1 4Å; E143-K280 IonicContact OE1-NZ 2.76Å; E143-K280 PolarHBondContact OE1-NZ 3.28Å; E143-K280 IonicContact OE2-NZ 3.63Å; E143-K280 PolarHBondContact OE2-NZ 3.09Å |
| 144 | Y | 98.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 11.6 Ų | 11.6 | 1% | 0.012 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -64.4 | -55.8 | 175.7 | 170.8 | -99.7 | 0 | 0 | 0 | 112.4 | V86 N87 F88 L91 L140 T141 F142 H146 S147 L148 | V86-Y144 HydrophobicContact CB-CE1 4.06Å; V86-Y144 HydrophobicContact CG1-CE1 4.19Å; N87-Y144 PolarHBondContact N-OH 3.42Å; F88-Y144 HydrophobicContact CB-CD1 3.82Å; F88-Y144 HydrophobicContact CB-CE1 3.93Å; F88-Y144 HydrophobicContact CB-CG 4.2Å; F88-Y144 AromaticContact CD2-CD1 3.97Å; F88-Y144 HydrophobicContact CD2-CD1 3.97Å; F88-Y144 AromaticContact CD2-CD2 3.59Å; F88-Y144 HydrophobicContact CD2-CD2 3.59Å; F88-Y144 HydrophobicContact CD2-CE2 4.21Å; F88-Y144 AromaticContact CD2-CG 3.44Å; F88-Y144 HydrophobicContact CD2-CG 3.44Å; F88-Y144 VanDerWaalsContact CD2-CG 3.44Å; F88-Y144 HydrophobicContact CE2-CD2 4.07Å; F88-Y144 AromaticContact CE2-CG 3.91Å; F88-Y144 HydrophobicContact CE2-CG 3.91Å; F88-Y144 AromaticContact CG-CD1 3.91Å; F88-Y144 HydrophobicContact CG-CD1 3.91Å; F88-Y144 HydrophobicContact CG-CD2 4.36Å; F88-Y144 HydrophobicContact CG-CE1 4.48Å; F88-Y144 AromaticContact CG-CG 3.85Å; F88-Y144 HydrophobicContact CG-CG 3.85Å; L91-Y144 HydrophobicContact CD1-CD1 4.14Å; L91-Y144 HydrophobicContact CD1-CE1 4.01Å; L140-Y144 PolarHBondContact O-N 3.15Å; T141-Y144 WeakPolarHBondContact O-CB 3.48Å; T141-Y144 PolarHBondContact O-N 2.67Å; F142-Y144 VanDerWaalsContact C-N 3.26Å; F142-Y144 PolarHBondContact O-N 3.25Å; Y144-H146 PolarHBondContact O-N 2.99Å; Y144-S147 WeakPolarHBondContact O-CB 3.36Å; Y144-S147 PolarHBondContact O-N 2.95Å; Y144-S147 VanDerWaalsContact O-N 3.16Å; Y144-S147 PolarHBondContact O-OG 3.25Å; Y144-L148 HydrophobicContact CE1-CD1 3.86Å; Y144-L148 HydrophobicContact CE2-CD1 4.02Å; Y144-L148 WeakPolarHBondContact OH-CD1 3.31Å |
| 145 | L | 97.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 11.7 Ų | 11.7 | 1% | 0.01 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.8 | -45.6 | -177.3 | -69.7 | 177 | 0 | 0 | 0 | 111.7 | V86 L91 T141 F142 S147 L148 L150 F173 | V86-L145 HydrophobicContact CG1-CD2 4.06Å; L91-L145 HydrophobicContact CD1-CD2 3.98Å; T141-L145 HydrophobicContact CG2-CD1 3.98Å; T141-L145 HydrophobicContact CG2-CG 4.36Å; T141-L145 WeakPolarHBondContact O-CG 3.47Å; T141-L145 PolarHBondContact O-N 3Å; F142-L145 HydrophobicContact CD1-CD1 4.46Å; F142-L145 PolarHBondContact O-N 3.34Å; L145-S147 PolarHBondContact O-N 3.39Å; L145-L148 WeakPolarHBondContact O-CA 3.44Å; L145-L148 WeakPolarHBondContact O-CB 3.36Å; L145-L148 PolarHBondContact O-N 3.41Å; L145-L150 CarbonylContact C-O 3.4Å; L145-L150 HydrophobicContact CB-CB 4.15Å; L145-L150 HydrophobicContact CD2-CB 4.36Å; L145-L150 HydrophobicContact CD2-CD1 3.92Å; L145-L150 WeakPolarHBondContact O-CB 3.01Å; L145-L150 PolarHBondContact O-N 3.22Å; L145-F173 HydrophobicContact CD1-CE1 4.48Å; L145-F173 HydrophobicContact CD2-CE1 4.2Å |
| 146 | H | 98.2 | Very high | 98.2 | Very high | 14 Ų | 14 | 13.3 Ų | 13.3 | 7% | 0.065 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -67.4 | -25.1 | -178.8 | -65.5 | -176.4 | 0 | 0 | 0 | 112.3 | F142 Y144 L148 D149 L150 K205 D208 W209 | F142-H146 WeakPolarHBondContact O-CB 3.32Å; F142-H146 PolarHBondContact O-CD2 3.22Å; F142-H146 PolarHBondContact O-N 3.17Å; Y144-H146 PolarHBondContact O-N 2.99Å; H146-L148 PolarHBondContact O-N 3.41Å; H146-D149 PolarHBondContact O-N 3.49Å; H146-L150 PolarHBondContact CD2-O 2.86Å; H146-K205 HydrophobicContact CB-CD 3.91Å; H146-K205 PolarHBondContact CE1-O 3.08Å; H146-D208 IonicContact CD2-OD2 3.09Å; H146-D208 IonicContact CE1-OD2 3.53Å; H146-D208 IonicContact NE2-OD2 3.72Å; H146-D208 PolarHBondContact NE2-OD2 3.21Å; H146-W209 AromaticContact CE1-CE2 3.71Å; H146-W209 AromaticContact CE1-CZ2 3.93Å; H146-W209 AromaticContact CE1-NE1 3.53Å; H146-W209 AromaticContact ND1-CE2 3.75Å; H146-W209 AromaticContact ND1-CZ2 3.71Å; H146-W209 AromaticContact ND1-NE1 3.5Å; H146-W209 PolarHBondContact ND1-NE1 3.06Å |
| 147 | S | 96.6 | Very high | 98.2 | Very high | 45 Ų | 45 | 13.3 Ų | 13.3 | 32% | 0.315 | 7% | 0.069 | S | C | . | . | H | α-helix | trans | -70 | -16.1 | 172.9 | 82.5 | 0 | 0 | 0 | 0 | 113.7 | E143 Y144 L145 | E143-S147 WeakPolarHBondContact O-CB 3.41Å; E143-S147 PolarHBondContact O-N 2.86Å; Y144-S147 WeakPolarHBondContact O-CB 3.36Å; Y144-S147 PolarHBondContact O-N 2.95Å; Y144-S147 VanDerWaalsContact O-N 3.16Å; Y144-S147 PolarHBondContact O-OG 3.25Å; L145-S147 PolarHBondContact O-N 3.39Å |
| 148 | L | 95.6 | Very high | 98 | Very high | 35 Ų | 35 | 16.1 Ų | 16.1 | 18% | 0.183 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 11.2 | 177.1 | -58.4 | 178 | 0 | 0 | 0 | 112.6 | Y144 L145 H146 L150 | Y144-L148 HydrophobicContact CE1-CD1 3.86Å; Y144-L148 HydrophobicContact CE2-CD1 4.02Å; Y144-L148 WeakPolarHBondContact OH-CD1 3.31Å; L145-L148 WeakPolarHBondContact O-CA 3.44Å; L145-L148 WeakPolarHBondContact O-CB 3.36Å; L145-L148 PolarHBondContact O-N 3.41Å; H146-L148 PolarHBondContact O-N 3.41Å; L148-L150 HydrophobicContact CB-CD1 4.04Å; L148-L150 HydrophobicContact CB-CG 4.09Å; L148-L150 HydrophobicContact CD1-CD1 4.25Å; L148-L150 PolarHBondContact O-N 2.91Å |
| 149 | D | 97.1 | Very high | 98 | Very high | 59 Ų | 59 | 16.7 Ų | 16.7 | 32% | 0.316 | 9% | 0.086 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 25.1 | -171 | -53.1 | -51.9 | 0 | 0 | 0 | 113.2 | H146 R178 V179 K180 | H146-D149 PolarHBondContact O-N 3.49Å; D149-R178 HydrophobicContact CB-CG 4.19Å; D149-R178 CarbonylContact O-C 3.51Å; D149-R178 VanDerWaalsContact O-CA 3.27Å; D149-R178 WeakPolarHBondContact O-CA 3.26Å; D149-V179 PolarHBondContact O-N 2.66Å; D149-K180 HydrophobicContact CB-CG 4.17Å; D149-K180 WeakPolarHBondContact OD2-CE 3.35Å |
| 150 | L | 98 | Very high | 98 | Very high | 14 Ų | 14 | 16.7 Ų | 16.7 | 7% | 0.073 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 135.9 | 176.8 | -62.6 | 170.4 | 0 | 0 | 0 | 110.4 | I82 V86 L145 H146 L148 K177 R178 | I82-L150 HydrophobicContact CD1-CD2 3.88Å; I82-L150 HydrophobicContact CG1-CD2 3.85Å; I82-L150 HydrophobicContact CG2-CD1 3.92Å; I82-L150 HydrophobicContact CG2-CD2 4.19Å; V86-L150 HydrophobicContact CG1-CD1 3.68Å; L145-L150 CarbonylContact C-O 3.4Å; L145-L150 HydrophobicContact CB-CB 4.15Å; L145-L150 HydrophobicContact CD2-CB 4.36Å; L145-L150 HydrophobicContact CD2-CD1 3.92Å; L145-L150 WeakPolarHBondContact O-CB 3.01Å; L145-L150 PolarHBondContact O-N 3.22Å; H146-L150 PolarHBondContact CD2-O 2.86Å; L148-L150 HydrophobicContact CB-CD1 4.04Å; L148-L150 HydrophobicContact CB-CG 4.09Å; L148-L150 HydrophobicContact CD1-CD1 4.25Å; L148-L150 PolarHBondContact O-N 2.91Å; L150-K177 WeakPolarHBondContact CA-O 3.44Å; L150-R178 HydrophobicContact CD2-CB 3.84Å; L150-R178 HydrophobicContact CD2-CG 4.23Å |
| 151 | I | 98.3 | Very high | 98 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 133.7 | 170.4 | -47.5 | 176.6 | 0 | 0 | 0 | 107.4 | R153 A176 K177 V179 K205 V207 D208 | I151-R153 HydrophobicContact CB-CG 4.06Å; I151-R153 HydrophobicContact CG2-CG 3.46Å; I151-R153 VanDerWaalsContact CG2-CG 3.46Å; I151-A176 VanDerWaalsContact O-CA 3.27Å; I151-A176 WeakPolarHBondContact O-CA 3.47Å; I151-K177 PolarHBondContact N-O 2.84Å; I151-K177 PolarHBondContact O-N 3.34Å; I151-V179 HydrophobicContact CD1-CB 3.72Å; I151-V179 HydrophobicContact CD1-CG1 4.08Å; I151-V179 HydrophobicContact CD1-CG2 3.92Å; I151-V179 HydrophobicContact CG1-CB 4.24Å; I151-V179 HydrophobicContact CG1-CG2 4.41Å; I151-K205 HydrophobicContact CD1-CB 4.47Å; I151-K205 HydrophobicContact CG1-CB 4.19Å; I151-V207 HydrophobicContact CG2-CG2 3.94Å; I151-D208 VanDerWaalsContact CG2-OD2 3.26Å; I151-D208 WeakPolarHBondContact CG2-OD2 3.38Å |
| 152 | Y | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 17.5 Ų | 17.5 | 1% | 0.008 | 9% | 0.09 | C | C | . | . | trans | -84.5 | -46.5 | -172.9 | 177.9 | -116.7 | 0 | 0 | 0 | 113.4 | F142 D154 L155 N159 V170 T171 D172 F173 F175 A176 D208 | F142-Y152 AromaticContact CE1-CD1 3.96Å; F142-Y152 HydrophobicContact CE1-CD1 3.96Å; F142-Y152 HydrophobicContact CE1-CG 4.24Å; F142-Y152 HydrophobicContact CZ-CD1 4.33Å; Y152-D154 VanDerWaalsContact C-N 3.26Å; Y152-D154 VanDerWaalsContact CE1-O 3.25Å; Y152-D154 WeakPolarHBondContact CE1-O 3.36Å; Y152-D154 PolarHBondContact O-N 2.88Å; Y152-D154 VanDerWaalsContact O-N 3.12Å; Y152-D154 PolarHBondContact OH-O 3.01Å; Y152-L155 HydrophobicContact CD1-CB 4.13Å; Y152-L155 HydrophobicContact CE1-CB 4.09Å; Y152-L155 HydrophobicContact CE1-CD1 4.38Å; Y152-N159 WeakPolarHBondContact OH-CB 3.34Å; Y152-V170 HydrophobicContact CD2-CG1 4.41Å; Y152-V170 HydrophobicContact CE1-CG1 4.01Å; Y152-V170 HydrophobicContact CE2-CG1 3.67Å; Y152-V170 VanDerWaalsContact CZ-CG1 3.46Å; Y152-V170 WeakPolarHBondContact OH-CG1 3.38Å; Y152-T171 PolarHBondContact OH-O 2.93Å; Y152-D172 WeakPolarHBondContact CE2-O 3.48Å; Y152-D172 PolarHBondContact OH-O 3.49Å; Y152-F173 HydrophobicContact CD2-CE1 4.43Å; Y152-F173 HydrophobicContact CD2-CZ 4.48Å; Y152-F173 HydrophobicContact CE2-CD2 4.15Å; Y152-F173 HydrophobicContact CE2-CE2 4.19Å; Y152-F173 HydrophobicContact CE2-CG 4.43Å; Y152-F173 HydrophobicContact CE2-CZ 4.49Å; Y152-F175 CarbonylContact O-C 3.58Å; Y152-A176 PolarHBondContact O-N 2.85Å; Y152-D208 PolarHBondContact N-OD1 3.08Å; Y152-D208 PolarHBondContact N-OD2 3.25Å | ||
| 153 | R | 98.1 | Very high | 97.9 | Very high | 14 Ų | 14 | 17.8 Ų | 17.8 | 5% | 0.053 | 9% | 0.091 | C | C | . | . | trans | 66.2 | -1.4 | 169.5 | -51.3 | -172 | -68.2 | 162.9 | 6 | 118.4 | I151 F175 C187 Y203 V207 D208 | I151-R153 HydrophobicContact CB-CG 4.06Å; I151-R153 HydrophobicContact CG2-CG 3.46Å; I151-R153 VanDerWaalsContact CG2-CG 3.46Å; R153-F175 HydrophobicContact CB-CB 4.12Å; R153-F175 PolarHBondContact NE-O 2.86Å; R153-F175 PolarHBondContact NH2-O 3.12Å; R153-C187 PolarHBondContact NH1-SG 3.06Å; R153-Y203 WeakPolarHBondContact CD-OH 3.26Å; R153-Y203 PolarHBondContact NH1-OH 2.95Å; R153-V207 HydrophobicContact CG-CG2 4.4Å; R153-D208 PolarHBondContact N-OD1 3.17Å | ||
| 154 | D | 97.3 | Very high | 97.7 | Very high | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | trans | -135 | 47.7 | 174.5 | -151.5 | 33.8 | 0 | 0 | 0 | 113.2 | Y152 K156 N159 F175 T189 | Y152-D154 VanDerWaalsContact C-N 3.26Å; Y152-D154 VanDerWaalsContact CE1-O 3.25Å; Y152-D154 WeakPolarHBondContact CE1-O 3.36Å; Y152-D154 PolarHBondContact O-N 2.88Å; Y152-D154 VanDerWaalsContact O-N 3.12Å; Y152-D154 PolarHBondContact OH-O 3.01Å; D154-K156 PolarHBondContact O-N 3.37Å; D154-K156 IonicContact OD1-NZ 2.63Å; D154-K156 VanDerWaalsContact OD2-CE 3.32Å; D154-K156 WeakPolarHBondContact OD2-CE 3.25Å; D154-K156 IonicContact OD2-NZ 2.94Å; D154-K156 PolarHBondContact OD2-NZ 3.11Å; D154-K156 VanDerWaalsContact OD2-NZ 3.12Å; D154-N159 PolarHBondContact O-ND2 2.81Å; D154-N159 PolarHBondContact OD2-ND2 3.47Å; D154-F175 HydrophobicContact CB-CB 4.4Å; D154-F175 HydrophobicContact CB-CD2 3.74Å; D154-F175 HydrophobicContact CB-CE2 4.5Å; D154-T189 PolarHBondContact OD1-OG1 3.43Å; D154-T189 VanDerWaalsContact OD1-OG1 3.08Å | ||
| 155 | L | 98.8 | Very high | 97.6 | Very high | 2 Ų | 2 | 24.5 Ų | 24.5 | 1% | 0.01 | 12% | 0.123 | C | C | . | . | trans | -73.5 | 122.9 | 172.7 | -174.7 | 70.8 | 0 | 0 | 0 | 110.1 | I138 F142 Y152 L160 Y192 A211 L212 L215 | I138-L155 HydrophobicContact CD1-CD1 4.25Å; I138-L155 HydrophobicContact CG2-CD1 4.1Å; I138-L155 HydrophobicContact CG2-CD2 3.96Å; F142-L155 HydrophobicContact CE2-CD2 3.88Å; F142-L155 HydrophobicContact CZ-CB 4.13Å; F142-L155 HydrophobicContact CZ-CD1 4.24Å; F142-L155 HydrophobicContact CZ-CD2 3.73Å; F142-L155 HydrophobicContact CZ-CG 4.26Å; Y152-L155 HydrophobicContact CD1-CB 4.13Å; Y152-L155 HydrophobicContact CE1-CB 4.09Å; Y152-L155 HydrophobicContact CE1-CD1 4.38Å; L155-L160 HydrophobicContact CD1-CD1 4.18Å; L155-L160 HydrophobicContact CD1-CD2 3.94Å; L155-L160 HydrophobicContact CD1-CG 4.36Å; L155-Y192 WeakPolarHBondContact O-CD1 3.4Å; L155-Y192 WeakPolarHBondContact O-CE1 3.46Å; L155-Y192 VanDerWaalsContact O-CG 3.22Å; L155-A211 HydrophobicContact CB-CB 3.95Å; L155-A211 HydrophobicContact CD2-CB 4.2Å; L155-L212 HydrophobicContact CD2-CB 4.34Å; L155-L215 HydrophobicContact CD1-CD2 4.04Å; L155-L215 HydrophobicContact CD2-CB 4.11Å; L155-L215 HydrophobicContact CD2-CD2 3.86Å; L155-L215 HydrophobicContact CG-CD2 4.07Å | ||
| 156 | K | 98.3 | Very high | 97.7 | Very high | 34 Ų | 34 | 24.4 Ų | 24.4 | 15% | 0.148 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -165.8 | 159.3 | 174.1 | 60.7 | -177 | 165.9 | -163.4 | 0 | 109.4 | D154 E158 N159 T189 Y192 | D154-K156 PolarHBondContact O-N 3.37Å; D154-K156 IonicContact OD1-NZ 2.63Å; D154-K156 VanDerWaalsContact OD2-CE 3.32Å; D154-K156 WeakPolarHBondContact OD2-CE 3.25Å; D154-K156 IonicContact OD2-NZ 2.94Å; D154-K156 PolarHBondContact OD2-NZ 3.11Å; D154-K156 VanDerWaalsContact OD2-NZ 3.12Å; K156-E158 VanDerWaalsContact CB-OE2 3.25Å; K156-E158 WeakPolarHBondContact CB-OE2 3.44Å; K156-E158 HydrophobicContact CD-CB 4.25Å; K156-E158 WeakPolarHBondContact CD-OE2 3.48Å; K156-E158 HydrophobicContact CG-CB 4.21Å; K156-E158 VanDerWaalsContact CG-OE2 3.25Å; K156-E158 WeakPolarHBondContact CG-OE2 3.25Å; K156-E158 PolarHBondContact O-N 3.36Å; K156-N159 VanDerWaalsContact CE-CG 3.49Å; K156-N159 WeakPolarHBondContact CE-ND2 3.41Å; K156-N159 WeakPolarHBondContact CE-OD1 3.35Å; K156-N159 HydrophobicContact CG-CB 4.22Å; K156-N159 PolarHBondContact O-N 3.5Å; K156-N159 VanDerWaalsContact O-N 3.1Å; K156-T189 HydrophobicContact CD-CG2 4.28Å; K156-T189 WeakPolarHBondContact CD-OG1 3.48Å; K156-T189 PolarHBondContact NZ-OG1 3.16Å; K156-Y192 HydrophobicContact CB-CD2 4.13Å; K156-Y192 HydrophobicContact CB-CE2 4.03Å; K156-Y192 HydrophobicContact CB-CG 4.48Å |
| 157 | P | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.12 | C | C | . | . | G | 310 helix | trans | -59 | -27.4 | -176.3 | -25 | 35 | 0 | 0 | 0 | 114.4 | M116 F117 N159 L160 Y192 L215 | M116-P157 HydrophobicContact CB-CB 4.37Å; M116-P157 WeakPolarHBondContact CB-O 3.35Å; M116-P157 HydrophobicContact CG-CB 4.34Å; M116-P157 PolarHBondContact N-O 3.5Å; M116-P157 HydrophobicContact SD-CB 4.47Å; F117-P157 HydrophobicContact CB-CB 3.83Å; F117-P157 HydrophobicContact CD2-CB 4.22Å; F117-P157 PolarHBondContact N-O 3.4Å; P157-N159 VanDerWaalsContact C-N 3.32Å; P157-L160 PolarHBondContact O-N 3.25Å; P157-Y192 VanDerWaalsContact CD-OH 3.27Å; P157-Y192 WeakPolarHBondContact CD-OH 3.36Å; P157-L215 HydrophobicContact CG-CD1 3.85Å |
| 158 | E | 96.7 | Very high | 97.8 | Very high | 60 Ų | 60 | 21.8 Ų | 21.8 | 28% | 0.28 | 11% | 0.105 | S | C | . | . | G | 310 helix | trans | -66.6 | -33.9 | 178.3 | -59.6 | 89.2 | 151.1 | 0 | 0 | 111.5 | F117 K156 L160 | F117-E158 HydrophobicContact CB-CG 3.96Å; F117-E158 HydrophobicContact CD2-CG 3.99Å; F117-E158 HydrophobicContact CG-CG 3.93Å; K156-E158 VanDerWaalsContact CB-OE2 3.25Å; K156-E158 WeakPolarHBondContact CB-OE2 3.44Å; K156-E158 HydrophobicContact CD-CB 4.25Å; K156-E158 WeakPolarHBondContact CD-OE2 3.48Å; K156-E158 HydrophobicContact CG-CB 4.21Å; K156-E158 VanDerWaalsContact CG-OE2 3.25Å; K156-E158 WeakPolarHBondContact CG-OE2 3.25Å; K156-E158 PolarHBondContact O-N 3.36Å; E158-L160 VanDerWaalsContact C-N 3.29Å; E158-L160 PolarHBondContact O-N 3.18Å |
| 159 | N | 97.9 | Very high | 97.9 | Very high | 12 Ų | 12 | 20.6 Ų | 20.6 | 6% | 0.064 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | -89.9 | 9.4 | 179.6 | -68.7 | -8.4 | 0 | 0 | 0 | 113.2 | Y152 D154 K156 P157 T171 | Y152-N159 WeakPolarHBondContact OH-CB 3.34Å; D154-N159 PolarHBondContact O-ND2 2.81Å; D154-N159 PolarHBondContact OD2-ND2 3.47Å; K156-N159 VanDerWaalsContact CE-CG 3.49Å; K156-N159 WeakPolarHBondContact CE-ND2 3.41Å; K156-N159 WeakPolarHBondContact CE-OD1 3.35Å; K156-N159 HydrophobicContact CG-CB 4.22Å; K156-N159 PolarHBondContact O-N 3.5Å; K156-N159 VanDerWaalsContact O-N 3.1Å; P157-N159 VanDerWaalsContact C-N 3.32Å; N159-T171 WeakPolarHBondContact O-CG2 3.36Å; N159-T171 PolarHBondContact O-N 2.7Å |
| 160 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 103.2 | 177.8 | -59.1 | -175.8 | 0 | 0 | 0 | 109.3 | M116 I138 L155 P157 E158 I168 V170 L215 | M116-L160 HydrophobicContact CB-CB 4.06Å; M116-L160 WeakPolarHBondContact CB-O 3.42Å; M116-L160 HydrophobicContact CE-CB 4.17Å; M116-L160 HydrophobicContact CE-CD1 3.74Å; M116-L160 PolarHBondContact N-O 3.35Å; M116-L160 HydrophobicContact SD-CD1 4Å; I138-L160 HydrophobicContact CD1-CD1 4.06Å; I138-L160 HydrophobicContact CD1-CD2 3.64Å; I138-L160 HydrophobicContact CG1-CD1 4.45Å; L155-L160 HydrophobicContact CD1-CD1 4.18Å; L155-L160 HydrophobicContact CD1-CD2 3.94Å; L155-L160 HydrophobicContact CD1-CG 4.36Å; P157-L160 PolarHBondContact O-N 3.25Å; E158-L160 VanDerWaalsContact C-N 3.29Å; E158-L160 PolarHBondContact O-N 3.18Å; L160-I168 HydrophobicContact CB-CG2 4.15Å; L160-I168 HydrophobicContact CD2-CG2 3.86Å; L160-I168 HydrophobicContact CG-CG2 4.45Å; L160-V170 HydrophobicContact CD2-CB 4.35Å; L160-V170 HydrophobicContact CD2-CG1 4.39Å; L160-V170 HydrophobicContact CD2-CG2 3.74Å; L160-L215 HydrophobicContact CD1-CD1 4.1Å; L160-L215 HydrophobicContact CD1-CD2 3.64Å |
| 161 | L | 98.4 | Very high | 97.9 | Very high | 21 Ų | 21 | 18.4 Ų | 18.4 | 11% | 0.11 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 148 | 176.5 | -56.7 | 178.8 | 0 | 0 | 0 | 110.3 | V111 G114 E115 I168 Q169 T171 | V111-L161 HydrophobicContact CB-CB 3.91Å; V111-L161 HydrophobicContact CB-CD1 3.84Å; V111-L161 HydrophobicContact CG1-CB 3.61Å; V111-L161 HydrophobicContact CG1-CD1 4.49Å; V111-L161 HydrophobicContact CG2-CB 4.49Å; V111-L161 HydrophobicContact CG2-CD1 4.18Å; G114-L161 CarbonylContact O-C 3.37Å; G114-L161 VanDerWaalsContact O-CA 3.3Å; G114-L161 WeakPolarHBondContact O-CA 3.47Å; E115-L161 HydrophobicContact CG-CD2 3.9Å; L161-I168 CarbonylContact O-C 3.59Å; L161-I168 WeakPolarHBondContact O-CA 3.39Å; L161-Q169 HydrophobicContact CB-CB 4.46Å; L161-Q169 PolarHBondContact N-O 3.11Å; L161-Q169 PolarHBondContact O-N 2.95Å; L161-T171 HydrophobicContact CD1-CG2 4.07Å; L161-T171 HydrophobicContact CG-CG2 3.98Å |
| 162 | I | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 123.8 | 174.6 | -53 | -171.3 | 0 | 0 | 0 | 108.8 | V111 G113 G114 H119 Y167 I168 F302 P304 | V111-I162 WeakPolarHBondContact CG1-O 3.22Å; G113-I162 CarbonylContact C-O 3.51Å; G113-I162 WeakPolarHBondContact CA-O 3.32Å; G113-I162 PolarHBondContact N-O 2.77Å; G113-I162 VanDerWaalsContact N-O 3.1Å; G114-I162 PolarHBondContact O-N 3.45Å; H119-I162 VanDerWaalsContact CD2-CD1 3.45Å; H119-I162 WeakPolarHBondContact CD2-CD1 3.44Å; I162-Y167 WeakPolarHBondContact CA-O 3.24Å; I162-I168 HydrophobicContact CG1-CD1 4.23Å; I162-F302 HydrophobicContact CD1-CD1 3.97Å; I162-F302 HydrophobicContact CD1-CE1 4.1Å; I162-F302 HydrophobicContact CG2-CD1 4.39Å; I162-P304 HydrophobicContact CG2-CG 4.05Å |
| 163 | D | 97.1 | Very high | 97.5 | Very high | 8 Ų | 8 | 20.4 Ų | 20.4 | 4% | 0.043 | 10% | 0.099 | C | C | . | . | trans | -83.9 | 174.9 | 177.4 | 70.5 | 39 | 0 | 0 | 0 | 113.2 | V111 Q165 G166 Y167 Q169 R296 P304 | V111-D163 HydrophobicContact CG1-CB 3.87Å; D163-Q165 PolarHBondContact O-N 3.4Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.48Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.36Å; D163-Q165 PolarHBondContact OD1-N 3.05Å; D163-G166 PolarHBondContact O-N 2.64Å; D163-G166 PolarHBondContact OD1-N 2.75Å; D163-Y167 PolarHBondContact N-O 2.84Å; D163-Y167 PolarHBondContact OD1-N 2.9Å; D163-Y167 VanDerWaalsContact OD1-N 3.17Å; D163-Q169 HydrophobicContact CB-CG 4.12Å; D163-Q169 PolarHBondContact OD2-NE2 3.38Å; D163-R296 IonicContact OD1-NH2 2.86Å; D163-R296 PolarHBondContact OD1-NH2 3.41Å; D163-R296 VanDerWaalsContact OD1-NH2 3.09Å; D163-R296 IonicContact OD2-CZ 2.64Å; D163-R296 VanDerWaalsContact OD2-CZ 3.23Å; D163-R296 IonicContact OD2-NH1 3.16Å; D163-R296 PolarHBondContact OD2-NH1 3.04Å; D163-R296 IonicContact OD2-NH2 3.74Å; D163-R296 PolarHBondContact OD2-NH2 2.95Å; D163-P304 WeakPolarHBondContact O-CD 3.27Å; D163-P304 VanDerWaalsContact O-CG 3.25Å; D163-P304 WeakPolarHBondContact O-CG 3.42Å | ||
| 164 | H | 95.6 | Very high | 97.2 | Very high | 100 Ų | 100 | 20.1 Ų | 20.1 | 46% | 0.463 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -19.8 | 179.9 | 68.5 | -45.2 | 0 | 0 | 0 | 115.8 | F306 | H164-F306 HydrophobicContact CB-CE1 3.68Å; H164-F306 HydrophobicContact CB-CZ 3.55Å |
| 165 | Q | 96.9 | Very high | 97.1 | Very high | 82 Ų | 82 | 22.3 Ų | 22.3 | 38% | 0.383 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 3.2 | 176.3 | -66.3 | 171.3 | 0.5 | 0 | 0 | 111.9 | D163 Y167 A300 I303 | D163-Q165 PolarHBondContact O-N 3.4Å; D163-Q165 WeakPolarHBondContact OD1-CA 3.48Å; D163-Q165 WeakPolarHBondContact OD1-CB 3.36Å; D163-Q165 PolarHBondContact OD1-N 3.05Å; Q165-Y167 VanDerWaalsContact C-N 3.34Å; Q165-Y167 HydrophobicContact CB-CD2 4.06Å; Q165-A300 WeakPolarHBondContact O-CB 3.45Å; Q165-I303 VanDerWaalsContact C-CD1 3.42Å; Q165-I303 WeakPolarHBondContact O-CD1 3.36Å |
| 166 | G | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | S | Bend | trans | 80.5 | 10.1 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y134 D163 F302 | Y134-G166 WeakPolarHBondContact CE1-O 3.12Å; D163-G166 PolarHBondContact O-N 2.64Å; D163-G166 PolarHBondContact OD1-N 2.75Å; G166-F302 WeakPolarHBondContact CA-O 3.46Å |
| 167 | Y | 98.8 | Very high | 96.8 | Very high | 4 Ų | 4 | 22.6 Ų | 22.6 | 2% | 0.016 | 11% | 0.111 | C | C | . | . | trans | -90.4 | 159.6 | 176.9 | -79.7 | -104.6 | 0 | 0 | 0 | 111.3 | F90 F133 Q137 I162 D163 Q165 R296 V298 | F90-Y167 HydrophobicContact CD1-CD1 4.23Å; F90-Y167 AromaticContact CE1-CD1 3.58Å; F90-Y167 HydrophobicContact CE1-CD1 3.58Å; F90-Y167 HydrophobicContact CE1-CE1 4.12Å; F90-Y167 HydrophobicContact CZ-CD1 4.42Å; F133-Y167 HydrophobicContact CE2-CE1 4Å; F133-Y167 HydrophobicContact CE2-CE2 4.38Å; F133-Y167 AromaticContact CE2-CZ 3.85Å; F133-Y167 AromaticContact CZ-CD1 3.96Å; F133-Y167 HydrophobicContact CZ-CD1 3.96Å; F133-Y167 HydrophobicContact CZ-CD2 4.05Å; F133-Y167 AromaticContact CZ-CE1 3.74Å; F133-Y167 HydrophobicContact CZ-CE1 3.74Å; F133-Y167 AromaticContact CZ-CE2 3.8Å; F133-Y167 HydrophobicContact CZ-CE2 3.8Å; F133-Y167 HydrophobicContact CZ-CG 4.12Å; F133-Y167 AromaticContact CZ-CZ 3.64Å; Q137-Y167 HydrophobicContact CG-CD1 4.31Å; I162-Y167 WeakPolarHBondContact CA-O 3.24Å; D163-Y167 PolarHBondContact N-O 2.84Å; D163-Y167 PolarHBondContact OD1-N 2.9Å; D163-Y167 VanDerWaalsContact OD1-N 3.17Å; Q165-Y167 VanDerWaalsContact C-N 3.34Å; Q165-Y167 HydrophobicContact CB-CD2 4.06Å; Y167-R296 HydrophobicContact CD1-CG 4.08Å; Y167-R296 HydrophobicContact CE1-CB 4.12Å; Y167-R296 HydrophobicContact CE1-CG 3.98Å; Y167-R296 HydrophobicContact CE2-CB 4.25Å; Y167-R296 HydrophobicContact CG-CG 4.47Å; Y167-R296 VanDerWaalsContact OH-C 3.31Å; Y167-R296 WeakPolarHBondContact OH-CA 3.3Å; Y167-V298 WeakPolarHBondContact CE2-O 3.19Å; Y167-V298 PolarHBondContact OH-N 3.37Å; Y167-V298 VanDerWaalsContact OH-N 3.11Å; Y167-V298 PolarHBondContact OH-O 2.95Å | ||
| 168 | I | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 138.2 | 179.1 | -61.4 | -53.3 | 0 | 0 | 0 | 111 | F90 M116 Y134 I138 L160 L161 I162 V170 | F90-I168 VanDerWaalsContact CA-O 3.26Å; F90-I168 WeakPolarHBondContact CA-O 3.33Å; F90-I168 WeakPolarHBondContact CB-O 3.19Å; M116-I168 HydrophobicContact CE-CD1 3.33Å; M116-I168 HydrophobicContact CE-CG1 4.13Å; Y134-I168 HydrophobicContact CD1-CD1 3.61Å; Y134-I168 HydrophobicContact CD1-CG1 3.6Å; Y134-I168 HydrophobicContact CE1-CD1 3.88Å; Y134-I168 HydrophobicContact CE1-CG1 4.26Å; Y134-I168 HydrophobicContact CG-CD1 4.03Å; Y134-I168 HydrophobicContact CG-CG1 4.09Å; I138-I168 HydrophobicContact CD1-CG2 4.07Å; L160-I168 HydrophobicContact CB-CG2 4.15Å; L160-I168 HydrophobicContact CD2-CG2 3.86Å; L160-I168 HydrophobicContact CG-CG2 4.45Å; L161-I168 CarbonylContact O-C 3.59Å; L161-I168 WeakPolarHBondContact O-CA 3.39Å; I162-I168 HydrophobicContact CG1-CD1 4.23Å; I168-V170 HydrophobicContact CG2-CG2 4.19Å |
| 169 | Q | 98.7 | Very high | 96.6 | Very high | 10 Ų | 10 | 28 Ų | 28 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 111.7 | 160.4 | -60.6 | -57.6 | -26.6 | 0 | 0 | 108.3 | P89 L91 V111 L161 D163 T171 | P89-Q169 PolarHBondContact O-NE2 3.31Å; P89-Q169 VanDerWaalsContact O-NE2 3.17Å; L91-Q169 PolarHBondContact O-OE1 3.19Å; V111-Q169 HydrophobicContact CG1-CB 4.3Å; V111-Q169 HydrophobicContact CG1-CG 4.12Å; V111-Q169 HydrophobicContact CG2-CB 3.88Å; V111-Q169 HydrophobicContact CG2-CG 3.86Å; L161-Q169 HydrophobicContact CB-CB 4.46Å; L161-Q169 PolarHBondContact N-O 3.11Å; L161-Q169 PolarHBondContact O-N 2.95Å; D163-Q169 HydrophobicContact CB-CG 4.12Å; D163-Q169 PolarHBondContact OD2-NE2 3.38Å; Q169-T171 PolarHBondContact O-N 3.43Å |
| 170 | V | 98.6 | Very high | 96.4 | Very high | 3 Ų | 3 | 35.1 Ų | 35.1 | 2% | 0.018 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 127.5 | 172.3 | -176.4 | 0 | 0 | 0 | 0 | 108.2 | F90 L91 V92 I138 T141 Y152 L160 I168 F173 | F90-V170 WeakPolarHBondContact O-CG2 3.49Å; F90-V170 PolarHBondContact O-N 3.08Å; L91-V170 HydrophobicContact CD2-CB 3.69Å; L91-V170 HydrophobicContact CD2-CG1 4.32Å; L91-V170 HydrophobicContact CD2-CG2 4.13Å; V92-V170 WeakPolarHBondContact CG1-O 3.49Å; V92-V170 PolarHBondContact N-O 2.94Å; I138-V170 HydrophobicContact CD1-CG2 3.92Å; T141-V170 HydrophobicContact CG2-CG2 4.17Å; Y152-V170 HydrophobicContact CD2-CG1 4.41Å; Y152-V170 HydrophobicContact CE1-CG1 4.01Å; Y152-V170 HydrophobicContact CE2-CG1 3.67Å; Y152-V170 VanDerWaalsContact CZ-CG1 3.46Å; Y152-V170 WeakPolarHBondContact OH-CG1 3.38Å; L160-V170 HydrophobicContact CD2-CB 4.35Å; L160-V170 HydrophobicContact CD2-CG1 4.39Å; L160-V170 HydrophobicContact CD2-CG2 3.74Å; I168-V170 HydrophobicContact CG2-CG2 4.19Å; V170-F173 HydrophobicContact CG1-CE2 4.26Å |
| 171 | T | 96.6 | Very high | 96.2 | Very high | 24 Ų | 24 | 37.7 Ų | 37.7 | 15% | 0.147 | 19% | 0.187 | C | C | . | . | trans | -116.9 | -175.3 | 177.1 | -169.5 | 0 | 0 | 0 | 0 | 110.6 | Y152 N159 L161 Q169 | Y152-T171 PolarHBondContact OH-O 2.93Å; N159-T171 WeakPolarHBondContact O-CG2 3.36Å; N159-T171 PolarHBondContact O-N 2.7Å; L161-T171 HydrophobicContact CD1-CG2 4.07Å; L161-T171 HydrophobicContact CG-CG2 3.98Å; Q169-T171 PolarHBondContact O-N 3.43Å | ||
| 172 | D | 92.7 | Very high | 96.1 | Very high | 47 Ų | 47 | 44.4 Ų | 44.4 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | trans | 50.5 | 88.1 | 176.4 | -159.3 | 0 | 0 | 0 | 0 | 115.8 | K60 Y152 G174 | K60-D172 IonicContact NZ-OD1 3.09Å; K60-D172 PolarHBondContact NZ-OD1 3.17Å; Y152-D172 WeakPolarHBondContact CE2-O 3.48Å; Y152-D172 PolarHBondContact OH-O 3.49Å; D172-G174 VanDerWaalsContact C-N 3.3Å; D172-G174 PolarHBondContact O-N 3.33Å; D172-G174 PolarHBondContact OD1-N 2.84Å | ||
| 173 | F | 95.1 | Very high | 96 | Very high | 1 Ų | 1 | 44.7 Ų | 44.7 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | trans | -95.8 | 18.6 | 179.8 | -83 | -117.3 | 0 | 0 | 0 | 112.1 | E79 I82 L83 L91 L145 Y152 V170 F175 A176 | E79-F173 HydrophobicContact CG-CB 3.89Å; E79-F173 PolarHBondContact OE1-N 3.02Å; I82-F173 HydrophobicContact CG2-CD1 3.67Å; I82-F173 HydrophobicContact CG2-CE1 4.07Å; L83-F173 HydrophobicContact CD1-CB 4.21Å; L83-F173 HydrophobicContact CD2-CB 4.14Å; L83-F173 HydrophobicContact CD2-CD1 4.25Å; L83-F173 HydrophobicContact CD2-CD2 3.47Å; L83-F173 VanDerWaalsContact CD2-CD2 3.47Å; L83-F173 HydrophobicContact CD2-CE2 3.83Å; L83-F173 HydrophobicContact CD2-CG 3.7Å; L83-F173 HydrophobicContact CD2-CZ 4.35Å; L83-F173 HydrophobicContact CG-CB 3.88Å; L83-F173 HydrophobicContact CG-CD2 4.18Å; L83-F173 HydrophobicContact CG-CG 3.96Å; L91-F173 HydrophobicContact CD1-CZ 4.12Å; L91-F173 HydrophobicContact CD2-CE2 4.19Å; L91-F173 HydrophobicContact CD2-CZ 3.61Å; L91-F173 HydrophobicContact CG-CZ 4.33Å; L145-F173 HydrophobicContact CD1-CE1 4.48Å; L145-F173 HydrophobicContact CD2-CE1 4.2Å; Y152-F173 HydrophobicContact CD2-CE1 4.43Å; Y152-F173 HydrophobicContact CD2-CZ 4.48Å; Y152-F173 HydrophobicContact CE2-CD2 4.15Å; Y152-F173 HydrophobicContact CE2-CE2 4.19Å; Y152-F173 HydrophobicContact CE2-CG 4.43Å; Y152-F173 HydrophobicContact CE2-CZ 4.49Å; V170-F173 HydrophobicContact CG1-CE2 4.26Å; F173-F175 PolarHBondContact O-N 2.87Å; F173-F175 VanDerWaalsContact O-N 3.15Å; F173-A176 HydrophobicContact CB-CB 3.95Å; F173-A176 HydrophobicContact CD1-CB 3.58Å; F173-A176 HydrophobicContact CG-CB 4.13Å; F173-A176 WeakPolarHBondContact O-CB 3.22Å; F173-A176 PolarHBondContact O-N 3.42Å | ||
| 174 | G | 92.1 | Very high | 96 | Very high | 8 Ų | 8 | 52.1 Ų | 52.1 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -32.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114 | H75 D172 | H75-G174 VanDerWaalsContact CB-O 3.32Å; H75-G174 WeakPolarHBondContact CB-O 3.38Å; D172-G174 VanDerWaalsContact C-N 3.3Å; D172-G174 PolarHBondContact O-N 3.33Å; D172-G174 PolarHBondContact OD1-N 2.84Å |
| 175 | F | 94.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 49.6 Ų | 49.6 | 23% | 0.228 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 4.3 | 174 | -57.7 | -29.7 | 0 | 0 | 0 | 113.7 | Y152 R153 D154 F173 K177 C187 | Y152-F175 CarbonylContact O-C 3.58Å; R153-F175 HydrophobicContact CB-CB 4.12Å; R153-F175 PolarHBondContact NE-O 2.86Å; R153-F175 PolarHBondContact NH2-O 3.12Å; D154-F175 HydrophobicContact CB-CB 4.4Å; D154-F175 HydrophobicContact CB-CD2 3.74Å; D154-F175 HydrophobicContact CB-CE2 4.5Å; F173-F175 PolarHBondContact O-N 2.87Å; F173-F175 VanDerWaalsContact O-N 3.15Å; F175-K177 PolarHBondContact O-N 2.79Å; F175-C187 HydrophobicContact CD1-CB 4.02Å; F175-C187 HydrophobicContact CD2-CB 4.04Å; F175-C187 HydrophobicContact CE1-CB 4.23Å; F175-C187 HydrophobicContact CE2-CB 4.28Å; F175-C187 HydrophobicContact CG-CB 3.95Å; F175-C187 HydrophobicContact CZ-CB 4.37Å |
| 176 | A | 96.2 | Very high | 95.8 | Very high | 2 Ų | 2 | 50.8 Ų | 50.8 | 2% | 0.017 | 24% | 0.241 | C | C | . | . | trans | -65.5 | 140.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | I82 I151 Y152 F173 | I82-A176 HydrophobicContact CD1-CB 3.75Å; I82-A176 WeakPolarHBondContact CD1-O 3.42Å; I82-A176 HydrophobicContact CG2-CB 4.39Å; I151-A176 VanDerWaalsContact O-CA 3.27Å; I151-A176 WeakPolarHBondContact O-CA 3.47Å; Y152-A176 PolarHBondContact O-N 2.85Å; F173-A176 HydrophobicContact CB-CB 3.95Å; F173-A176 HydrophobicContact CD1-CB 3.58Å; F173-A176 HydrophobicContact CG-CB 4.13Å; F173-A176 WeakPolarHBondContact O-CB 3.22Å; F173-A176 PolarHBondContact O-N 3.42Å | ||
| 177 | K | 95.6 | Very high | 95.6 | Very high | 40 Ų | 40 | 51.2 Ų | 51.2 | 17% | 0.174 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 140.3 | 178.8 | -172.8 | 165.5 | 178.1 | 149 | 0 | 111.8 | E74 L150 I151 F175 V179 | E74-K177 IonicContact OE1-NZ 2.7Å; E74-K177 PolarHBondContact OE1-NZ 3.33Å; L150-K177 WeakPolarHBondContact CA-O 3.44Å; I151-K177 PolarHBondContact N-O 2.84Å; I151-K177 PolarHBondContact O-N 3.34Å; F175-K177 PolarHBondContact O-N 2.79Å; K177-V179 HydrophobicContact CB-CG2 4.09Å; K177-V179 HydrophobicContact CD-CG2 4.25Å; K177-V179 HydrophobicContact CG-CG2 3.78Å |
| 178 | R | 95.4 | Very high | 95.3 | Very high | 159 Ų | 159 | 52.1 Ų | 52.1 | 60% | 0.6 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 117.6 | 169.5 | -163.7 | 179 | -174 | -170.4 | 3.1 | 110 | D149 L150 | D149-R178 HydrophobicContact CB-CG 4.19Å; D149-R178 CarbonylContact O-C 3.51Å; D149-R178 VanDerWaalsContact O-CA 3.27Å; D149-R178 WeakPolarHBondContact O-CA 3.26Å; L150-R178 HydrophobicContact CD2-CB 3.84Å; L150-R178 HydrophobicContact CD2-CG 4.23Å |
| 179 | V | 94.7 | Very high | 95.1 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 10% | 0.097 | 26% | 0.261 | C | S | . | . | trans | -136.6 | 110.8 | -173.1 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | D149 I151 K177 T183 | D149-V179 PolarHBondContact O-N 2.66Å; I151-V179 HydrophobicContact CD1-CB 3.72Å; I151-V179 HydrophobicContact CD1-CG1 4.08Å; I151-V179 HydrophobicContact CD1-CG2 3.92Å; I151-V179 HydrophobicContact CG1-CB 4.24Å; I151-V179 HydrophobicContact CG1-CG2 4.41Å; K177-V179 HydrophobicContact CB-CG2 4.09Å; K177-V179 HydrophobicContact CD-CG2 4.25Å; K177-V179 HydrophobicContact CG-CG2 3.78Å; V179-T183 HydrophobicContact CG1-CG2 4.39Å; V179-T183 HydrophobicContact CG2-CG2 4.04Å | ||
| 180 | K | 93.3 | Very high | 95 | Very high | 161 Ų | 161 | 54.5 Ų | 54.5 | 70% | 0.7 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -90.7 | 104.7 | 164 | -67.9 | -176.7 | 177.9 | -176.6 | 0 | 108.4 | D149 | D149-K180 HydrophobicContact CB-CG 4.17Å; D149-K180 WeakPolarHBondContact OD2-CE 3.35Å |
| 181 | G | 94.8 | Very high | 94.9 | Very high | 54 Ų | 54 | 57.2 Ų | 57.2 | 56% | 0.557 | 28% | 0.282 | S | S | * | . | S | Bend | trans | 97.2 | -106.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | N204 | G181-N204 VanDerWaalsContact O-CB 3.28Å; G181-N204 WeakPolarHBondContact O-CB 3.4Å |
| 182 | R | 96.5 | Very high | 95 | Very high | 161 Ų | 161 | 56.8 Ų | 56.8 | 61% | 0.608 | 28% | 0.278 | S | S | * | . | trans | -126.3 | 154.7 | -171.4 | -66.6 | -179.5 | -67.5 | 179.3 | -0.5 | 113.4 | W184 Y203 | R182-W184 HydrophobicContact CB-CH2 4.06Å; R182-W184 HydrophobicContact CB-CZ2 4.21Å; R182-W184 VanDerWaalsContact O-CZ3 3.31Å; R182-W184 WeakPolarHBondContact O-CZ3 3.48Å; R182-Y203 CarbonylContact C-O 3.55Å; R182-Y203 WeakPolarHBondContact CA-O 3.42Å | ||
| 183 | T | 96.6 | Very high | 95.3 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -135 | 168.7 | 169.9 | -173.8 | 0 | 0 | 0 | 0 | 110 | V179 G202 Y203 | V179-T183 HydrophobicContact CG1-CG2 4.39Å; V179-T183 HydrophobicContact CG2-CG2 4.04Å; T183-G202 CarbonylContact O-C 3.46Å; T183-G202 WeakPolarHBondContact O-CA 3.45Å; T183-Y203 HydrophobicContact CG2-CD2 3.82Å; T183-Y203 HydrophobicContact CG2-CE1 4.13Å; T183-Y203 HydrophobicContact CG2-CE2 3.3Å; T183-Y203 HydrophobicContact CG2-CG 4.42Å; T183-Y203 VanDerWaalsContact CG2-CZ 3.48Å; T183-Y203 PolarHBondContact N-O 3.47Å; T183-Y203 WeakPolarHBondContact O-CD1 3.34Å; T183-Y203 PolarHBondContact O-N 3.33Å |
| 184 | W | 96.9 | Very high | 95.4 | Very high | 163 Ų | 163 | 54.9 Ų | 54.9 | 62% | 0.617 | 27% | 0.268 | S | S | * | . | trans | -133 | -8.2 | -169.7 | -66.8 | -97.4 | 0 | 0 | 0 | 115.1 | R182 L186 | R182-W184 HydrophobicContact CB-CH2 4.06Å; R182-W184 HydrophobicContact CB-CZ2 4.21Å; R182-W184 VanDerWaalsContact O-CZ3 3.31Å; R182-W184 WeakPolarHBondContact O-CZ3 3.48Å; W184-L186 PolarHBondContact O-N 2.78Å | ||
| 185 | T | 93.6 | Very high | 95.8 | Very high | 47 Ų | 47 | 54.6 Ų | 54.6 | 29% | 0.288 | 27% | 0.265 | S | S | . | . | trans | -62.4 | 125.2 | -177.1 | -47.1 | 0 | 0 | 0 | 0 | 110.5 | C187 Y203 | T185-C187 HydrophobicContact CG2-CB 4.34Å; T185-C187 PolarHBondContact O-N 2.7Å; T185-Y203 VanDerWaalsContact O-CE1 3.31Å; T185-Y203 WeakPolarHBondContact O-CE1 3.16Å; T185-Y203 PolarHBondContact O-OH 3.3Å | ||
| 186 | L | 94.3 | Very high | 96 | Very high | 108 Ų | 108 | 52.3 Ų | 52.3 | 57% | 0.565 | 26% | 0.255 | S | S | * | . | trans | -76 | 109.2 | 168 | -172.9 | 152 | 0 | 0 | 0 | 108.3 | W184 I197 | W184-L186 PolarHBondContact O-N 2.78Å; L186-I197 HydrophobicContact CG-CG2 4.35Å | ||
| 187 | C | 93.4 | Very high | 96 | Very high | 9 Ų | 9 | 52.6 Ų | 52.6 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | trans | -153.5 | 162.2 | -180 | 61.9 | 0 | 0 | 0 | 0 | 110.2 | R153 F175 T185 L193 | R153-C187 PolarHBondContact NH1-SG 3.06Å; F175-C187 HydrophobicContact CD1-CB 4.02Å; F175-C187 HydrophobicContact CD2-CB 4.04Å; F175-C187 HydrophobicContact CE1-CB 4.23Å; F175-C187 HydrophobicContact CE2-CB 4.28Å; F175-C187 HydrophobicContact CG-CB 3.95Å; F175-C187 HydrophobicContact CZ-CB 4.37Å; T185-C187 HydrophobicContact CG2-CB 4.34Å; T185-C187 PolarHBondContact O-N 2.7Å; C187-L193 WeakPolarHBondContact O-CD2 3.32Å | ||
| 188 | G | 93.8 | Very high | 96.1 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 23% | 0.227 | 26% | 0.255 | C | S | . | . | S | Bend | trans | 112.5 | -178.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 189 | T | 94.2 | Very high | 96.2 | Very high | 26 Ų | 26 | 48.5 Ų | 48.5 | 16% | 0.16 | 25% | 0.247 | C | C | . | . | trans | -98.2 | 134.7 | -176.4 | -56.7 | 0 | 0 | 0 | 0 | 110.1 | D154 K156 E191 Y192 L193 | D154-T189 PolarHBondContact OD1-OG1 3.43Å; D154-T189 VanDerWaalsContact OD1-OG1 3.08Å; K156-T189 HydrophobicContact CD-CG2 4.28Å; K156-T189 WeakPolarHBondContact CD-OG1 3.48Å; K156-T189 PolarHBondContact NZ-OG1 3.16Å; T189-E191 VanDerWaalsContact C-N 3.34Å; T189-E191 PolarHBondContact O-N 3Å; T189-E191 VanDerWaalsContact O-N 3.14Å; T189-Y192 WeakPolarHBondContact O-CA 3.37Å; T189-Y192 PolarHBondContact O-N 3.4Å; T189-L193 PolarHBondContact O-N 3.1Å | ||
| 190 | P | 96.4 | Very high | 96.3 | Very high | 35 Ų | 35 | 52 Ų | 52 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -48.4 | -45.2 | -167.1 | -32.4 | 37.3 | 0 | 0 | 0 | 116.1 | Y192 L193 I234 Y235 I238 | P190-Y192 PolarHBondContact O-N 3.35Å; P190-L193 PolarHBondContact O-N 3.32Å; P190-I234 HydrophobicContact CB-CD1 4.43Å; P190-Y235 HydrophobicContact CB-CE1 3.91Å; P190-I238 WeakPolarHBondContact O-CD1 3.21Å |
| 191 | E | 97.1 | Very high | 96.4 | Very high | 59 Ų | 59 | 50 Ų | 50 | 28% | 0.276 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -66.3 | -22.9 | -178.5 | -64.6 | 80.6 | 177.5 | 0 | 0 | 113 | T189 V214 P224 I234 | T189-E191 VanDerWaalsContact C-N 3.34Å; T189-E191 PolarHBondContact O-N 3Å; T189-E191 VanDerWaalsContact O-N 3.14Å; E191-V214 WeakPolarHBondContact O-CG1 3.37Å; E191-P224 HydrophobicContact CB-CB 4.32Å; E191-P224 HydrophobicContact CB-CG 4.39Å; E191-P224 HydrophobicContact CG-CG 4.14Å; E191-I234 HydrophobicContact CG-CD1 4.24Å |
| 192 | Y | 98.6 | Very high | 96.5 | Very high | 16 Ų | 16 | 48.3 Ų | 48.3 | 6% | 0.063 | 25% | 0.247 | C | C | . | . | G | 310 helix | trans | -104.2 | -6.3 | -174.2 | -79.2 | -95.5 | 0 | 0 | 0 | 113.7 | L155 K156 P157 T189 P190 A194 A211 V214 L215 E218 | L155-Y192 WeakPolarHBondContact O-CD1 3.4Å; L155-Y192 WeakPolarHBondContact O-CE1 3.46Å; L155-Y192 VanDerWaalsContact O-CG 3.22Å; K156-Y192 HydrophobicContact CB-CD2 4.13Å; K156-Y192 HydrophobicContact CB-CE2 4.03Å; K156-Y192 HydrophobicContact CB-CG 4.48Å; P157-Y192 VanDerWaalsContact CD-OH 3.27Å; P157-Y192 WeakPolarHBondContact CD-OH 3.36Å; T189-Y192 WeakPolarHBondContact O-CA 3.37Å; T189-Y192 PolarHBondContact O-N 3.4Å; P190-Y192 PolarHBondContact O-N 3.35Å; Y192-A194 PolarHBondContact O-N 2.78Å; Y192-A211 HydrophobicContact CD1-CB 4.2Å; Y192-V214 HydrophobicContact CD1-CB 3.72Å; Y192-V214 HydrophobicContact CD1-CG1 3.56Å; Y192-V214 HydrophobicContact CD2-CG1 4.05Å; Y192-V214 HydrophobicContact CE1-CB 3.76Å; Y192-V214 HydrophobicContact CE1-CG1 3.48Å; Y192-V214 VanDerWaalsContact CE1-CG1 3.48Å; Y192-V214 HydrophobicContact CE2-CG1 3.93Å; Y192-V214 HydrophobicContact CG-CB 4.39Å; Y192-V214 HydrophobicContact CG-CG1 3.86Å; Y192-L215 HydrophobicContact CE1-CB 4.02Å; Y192-L215 HydrophobicContact CE1-CD1 4.47Å; Y192-E218 WeakPolarHBondContact CE2-OE2 3.3Å; Y192-E218 PolarHBondContact OH-OE2 3.08Å |
| 193 | L | 98.3 | Very high | 96.6 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.031 | 22% | 0.218 | C | C | . | . | trans | -65 | 134.4 | -179 | -69.1 | -178.2 | 0 | 0 | 0 | 111.7 | C187 T189 P190 I197 I198 W210 Y235 | C187-L193 WeakPolarHBondContact O-CD2 3.32Å; T189-L193 PolarHBondContact O-N 3.1Å; P190-L193 PolarHBondContact O-N 3.32Å; L193-I197 HydrophobicContact CD2-CD1 4.28Å; L193-I197 HydrophobicContact CD2-CG2 4.12Å; L193-I198 HydrophobicContact CB-CD1 4.07Å; L193-I198 HydrophobicContact CB-CG1 3.93Å; L193-I198 HydrophobicContact CD1-CG1 4.18Å; L193-W210 PolarHBondContact O-NE1 3.47Å; L193-Y235 HydrophobicContact CD1-CE1 3.86Å | ||
| 194 | A | 98.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.008 | 23% | 0.226 | C | C | . | . | trans | -74.5 | 149.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | Y192 E196 I197 I198 V207 W210 | Y192-A194 PolarHBondContact O-N 2.78Å; A194-E196 HydrophobicContact CB-CG 4.37Å; A194-E196 PolarHBondContact O-N 3Å; A194-E196 VanDerWaalsContact O-N 3.16Å; A194-I197 HydrophobicContact CB-CD1 4.37Å; A194-I197 HydrophobicContact CB-CG1 4.39Å; A194-I197 PolarHBondContact O-N 2.94Å; A194-I198 PolarHBondContact O-N 3.47Å; A194-V207 HydrophobicContact CB-CB 3.94Å; A194-V207 HydrophobicContact CB-CG1 3.8Å; A194-W210 HydrophobicContact CB-CB 3.93Å; A194-W210 HydrophobicContact CB-CD2 4.36Å; A194-W210 HydrophobicContact CB-CG 3.79Å | ||
| 195 | P | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 38.7 Ų | 38.7 | 1% | 0.013 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -54.3 | -38.7 | -178.3 | -26.6 | 33 | 0 | 0 | 0 | 113.5 | I197 I198 L199 W210 I238 V263 | P195-I197 VanDerWaalsContact C-N 3.31Å; P195-I197 PolarHBondContact O-N 3.4Å; P195-I198 PolarHBondContact O-N 3.14Å; P195-L199 WeakPolarHBondContact O-CB 3.01Å; P195-L199 VanDerWaalsContact O-CG 3.24Å; P195-L199 WeakPolarHBondContact O-CG 3.32Å; P195-L199 PolarHBondContact O-N 3.32Å; P195-W210 HydrophobicContact CG-CE3 4.24Å; P195-W210 HydrophobicContact CG-CH2 3.58Å; P195-W210 HydrophobicContact CG-CZ2 3.98Å; P195-W210 HydrophobicContact CG-CZ3 3.72Å; P195-I238 HydrophobicContact CB-CG2 4.28Å; P195-I238 HydrophobicContact CG-CG2 3.73Å; P195-V263 HydrophobicContact CB-CG1 4.04Å; P195-V263 HydrophobicContact CG-CB 4.36Å; P195-V263 HydrophobicContact CG-CG1 4.07Å; P195-V263 HydrophobicContact CG-CG2 4.15Å |
| 196 | E | 98.6 | Very high | 97 | Very high | 4 Ų | 4 | 36.5 Ų | 36.5 | 2% | 0.019 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.1 | -27 | 179.7 | 60.3 | -91.4 | -148.2 | 0 | 0 | 114.1 | A194 S200 K201 V207 L265 R268 | A194-E196 HydrophobicContact CB-CG 4.37Å; A194-E196 PolarHBondContact O-N 3Å; A194-E196 VanDerWaalsContact O-N 3.16Å; E196-S200 PolarHBondContact O-N 2.95Å; E196-K201 HydrophobicContact CB-CB 4.3Å; E196-K201 WeakPolarHBondContact O-CB 3.3Å; E196-K201 PolarHBondContact O-N 3.24Å; E196-V207 HydrophobicContact CG-CG1 4.02Å; E196-L265 HydrophobicContact CB-CD2 4.14Å; E196-L265 HydrophobicContact CG-CD2 4.13Å; E196-R268 IonicContact OE1-CZ 3.25Å; E196-R268 IonicContact OE1-NH1 3.75Å; E196-R268 PolarHBondContact OE1-NH1 2.91Å; E196-R268 IonicContact OE1-NH2 3.79Å; E196-R268 IonicContact OE2-CZ 2.67Å; E196-R268 IonicContact OE2-NH1 2.56Å; E196-R268 IonicContact OE2-NH2 2.81Å; E196-R268 PolarHBondContact OE2-NH2 3.35Å |
| 197 | I | 98.1 | Very high | 97.2 | Very high | 8 Ų | 8 | 31.5 Ų | 31.5 | 4% | 0.041 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.8 | -47 | 173.4 | -58.9 | 176 | 0 | 0 | 0 | 109.4 | L186 L193 A194 P195 L199 S200 Y203 V207 | L186-I197 HydrophobicContact CG-CG2 4.35Å; L193-I197 HydrophobicContact CD2-CD1 4.28Å; L193-I197 HydrophobicContact CD2-CG2 4.12Å; A194-I197 HydrophobicContact CB-CD1 4.37Å; A194-I197 HydrophobicContact CB-CG1 4.39Å; A194-I197 PolarHBondContact O-N 2.94Å; P195-I197 VanDerWaalsContact C-N 3.31Å; P195-I197 PolarHBondContact O-N 3.4Å; I197-L199 VanDerWaalsContact C-N 3.3Å; I197-L199 PolarHBondContact O-N 2.98Å; I197-S200 PolarHBondContact O-N 3.35Å; I197-Y203 HydrophobicContact CD1-CE2 4.34Å; I197-Y203 HydrophobicContact CG1-CD1 3.82Å; I197-Y203 HydrophobicContact CG1-CD2 4.21Å; I197-Y203 HydrophobicContact CG1-CE1 3.97Å; I197-Y203 HydrophobicContact CG1-CE2 4.34Å; I197-Y203 HydrophobicContact CG1-CG 3.95Å; I197-Y203 HydrophobicContact CG2-CE1 4.41Å; I197-V207 HydrophobicContact CD1-CB 3.9Å; I197-V207 HydrophobicContact CD1-CG1 3.8Å; I197-V207 HydrophobicContact CD1-CG2 4.29Å; I197-V207 HydrophobicContact CG1-CB 4.49Å; I197-V207 HydrophobicContact CG1-CG1 3.83Å |
| 198 | I | 97.6 | Very high | 97.4 | Very high | 31 Ų | 31 | 31.1 Ų | 31.1 | 16% | 0.159 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 179.2 | -62.9 | 170.3 | 0 | 0 | 0 | 110.6 | L193 A194 P195 S200 Y235 I238 V239 | L193-I198 HydrophobicContact CB-CD1 4.07Å; L193-I198 HydrophobicContact CB-CG1 3.93Å; L193-I198 HydrophobicContact CD1-CG1 4.18Å; A194-I198 PolarHBondContact O-N 3.47Å; P195-I198 PolarHBondContact O-N 3.14Å; I198-S200 PolarHBondContact O-N 3.28Å; I198-S200 VanDerWaalsContact O-N 3.14Å; I198-Y235 HydrophobicContact CD1-CD1 3.77Å; I198-Y235 HydrophobicContact CD1-CG 4.18Å; I198-Y235 HydrophobicContact CG1-CD1 4.13Å; I198-Y235 HydrophobicContact CG1-CG 4.41Å; I198-Y235 HydrophobicContact CG2-CD2 4.49Å; I198-Y235 HydrophobicContact CG2-CG 4.08Å; I198-I238 HydrophobicContact CD1-CB 3.81Å; I198-I238 HydrophobicContact CD1-CD1 3.8Å; I198-I238 HydrophobicContact CD1-CG1 4.41Å; I198-I238 HydrophobicContact CD1-CG2 3.47Å; I198-I238 VanDerWaalsContact CD1-CG2 3.47Å; I198-V239 HydrophobicContact CB-CG2 4.4Å; I198-V239 HydrophobicContact CG2-CG2 4.02Å |
| 199 | L | 96.8 | Very high | 97.7 | Very high | 82 Ų | 82 | 30.2 Ų | 30.2 | 43% | 0.429 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | 8.7 | 177.7 | -64.3 | 173.4 | 0 | 0 | 0 | 113.4 | P195 I197 K201 V239 | P195-L199 WeakPolarHBondContact O-CB 3.01Å; P195-L199 VanDerWaalsContact O-CG 3.24Å; P195-L199 WeakPolarHBondContact O-CG 3.32Å; P195-L199 PolarHBondContact O-N 3.32Å; I197-L199 VanDerWaalsContact C-N 3.3Å; I197-L199 PolarHBondContact O-N 2.98Å; L199-K201 HydrophobicContact CB-CD 4.41Å; L199-K201 HydrophobicContact CB-CG 4.19Å; L199-K201 PolarHBondContact O-N 3.3Å; L199-K201 VanDerWaalsContact O-N 3.15Å; L199-V239 HydrophobicContact CD1-CG1 4.31Å; L199-V239 HydrophobicContact CD2-CG1 4.26Å; L199-V239 HydrophobicContact CD2-CG2 4.24Å; L199-V239 HydrophobicContact CG-CG2 4.19Å |
| 200 | S | 96 | Very high | 97.9 | Very high | 91 Ų | 91 | 29 Ų | 29 | 64% | 0.636 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.4 | 33.2 | 178 | -58.5 | 0 | 0 | 0 | 0 | 113.9 | E196 I197 I198 | E196-S200 PolarHBondContact O-N 2.95Å; I197-S200 PolarHBondContact O-N 3.35Å; I198-S200 PolarHBondContact O-N 3.28Å; I198-S200 VanDerWaalsContact O-N 3.14Å |
| 201 | K | 96.5 | Very high | 98 | Very high | 118 Ų | 118 | 27.6 Ų | 27.6 | 51% | 0.513 | 15% | 0.146 | S | C | . | . | trans | -85.5 | 152.2 | 176 | -63.2 | -179.3 | -178.7 | 176.5 | 0 | 109.5 | E196 L199 Y203 | E196-K201 HydrophobicContact CB-CB 4.3Å; E196-K201 WeakPolarHBondContact O-CB 3.3Å; E196-K201 PolarHBondContact O-N 3.24Å; L199-K201 HydrophobicContact CB-CD 4.41Å; L199-K201 HydrophobicContact CB-CG 4.19Å; L199-K201 PolarHBondContact O-N 3.3Å; L199-K201 VanDerWaalsContact O-N 3.15Å; K201-Y203 WeakPolarHBondContact O-CD1 3.44Å; K201-Y203 PolarHBondContact O-N 3.11Å; K201-Y203 VanDerWaalsContact O-N 3.17Å | ||
| 202 | G | 96.4 | Very high | 98.1 | Very high | 19 Ų | 19 | 24.8 Ų | 24.8 | 20% | 0.196 | 13% | 0.133 | C | C | . | . | trans | -62.6 | 118.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | T183 | T183-G202 CarbonylContact O-C 3.46Å; T183-G202 WeakPolarHBondContact O-CA 3.45Å | ||
| 203 | Y | 98.1 | Very high | 98.1 | Very high | 3 Ų | 3 | 24 Ų | 24 | 1% | 0.012 | 13% | 0.13 | C | C | . | . | B | Isolated β-bridge | trans | -116.5 | 164.4 | -172.8 | 64.8 | -94.7 | 0 | 0 | 0 | 111.9 | R153 R182 T183 T185 I197 K201 V207 | R153-Y203 WeakPolarHBondContact CD-OH 3.26Å; R153-Y203 PolarHBondContact NH1-OH 2.95Å; R182-Y203 CarbonylContact C-O 3.55Å; R182-Y203 WeakPolarHBondContact CA-O 3.42Å; T183-Y203 HydrophobicContact CG2-CD2 3.82Å; T183-Y203 HydrophobicContact CG2-CE1 4.13Å; T183-Y203 HydrophobicContact CG2-CE2 3.3Å; T183-Y203 HydrophobicContact CG2-CG 4.42Å; T183-Y203 VanDerWaalsContact CG2-CZ 3.48Å; T183-Y203 PolarHBondContact N-O 3.47Å; T183-Y203 WeakPolarHBondContact O-CD1 3.34Å; T183-Y203 PolarHBondContact O-N 3.33Å; T185-Y203 VanDerWaalsContact O-CE1 3.31Å; T185-Y203 WeakPolarHBondContact O-CE1 3.16Å; T185-Y203 PolarHBondContact O-OH 3.3Å; I197-Y203 HydrophobicContact CD1-CE2 4.34Å; I197-Y203 HydrophobicContact CG1-CD1 3.82Å; I197-Y203 HydrophobicContact CG1-CD2 4.21Å; I197-Y203 HydrophobicContact CG1-CE1 3.97Å; I197-Y203 HydrophobicContact CG1-CE2 4.34Å; I197-Y203 HydrophobicContact CG1-CG 3.95Å; I197-Y203 HydrophobicContact CG2-CE1 4.41Å; K201-Y203 WeakPolarHBondContact O-CD1 3.44Å; K201-Y203 PolarHBondContact O-N 3.11Å; K201-Y203 VanDerWaalsContact O-N 3.17Å; Y203-V207 HydrophobicContact CD2-CB 4.44Å; Y203-V207 HydrophobicContact CD2-CG1 3.6Å; Y203-V207 HydrophobicContact CD2-CG2 3.99Å; Y203-V207 HydrophobicContact CE2-CG1 4.43Å; Y203-V207 HydrophobicContact CE2-CG2 4.19Å; Y203-V207 HydrophobicContact CG-CG1 3.98Å |
| 204 | N | 98 | Very high | 98.2 | Very high | 39 Ų | 39 | 23.8 Ų | 23.8 | 21% | 0.209 | 13% | 0.129 | C | C | . | . | trans | -130.6 | -164.7 | -177.3 | 72.6 | 0.7 | 0 | 0 | 0 | 110.5 | G181 A206 V207 N271 | G181-N204 VanDerWaalsContact O-CB 3.28Å; G181-N204 WeakPolarHBondContact O-CB 3.4Å; N204-A206 PolarHBondContact O-N 2.89Å; N204-A206 WeakPolarHBondContact OD1-CB 3.48Å; N204-A206 PolarHBondContact OD1-N 2.94Å; N204-V207 WeakPolarHBondContact O-CG2 3.46Å; N204-V207 PolarHBondContact O-N 2.85Å; N204-N271 PolarHBondContact ND2-OD1 3.28Å | ||
| 205 | K | 98.4 | Very high | 98.2 | Very high | 87 Ų | 87 | 23.7 Ų | 23.7 | 38% | 0.378 | 13% | 0.128 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -12.2 | 179.2 | 65.2 | 179.2 | 177.7 | 178.7 | 0 | 116 | H146 I151 V207 D208 | H146-K205 HydrophobicContact CB-CD 3.91Å; H146-K205 PolarHBondContact CE1-O 3.08Å; I151-K205 HydrophobicContact CD1-CB 4.47Å; I151-K205 HydrophobicContact CG1-CB 4.19Å; K205-V207 PolarHBondContact O-N 3.29Å; K205-D208 PolarHBondContact O-N 3.42Å |
| 206 | A | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62.1 | -19.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N204 W209 W210 L265 R268 N271 | N204-A206 PolarHBondContact O-N 2.89Å; N204-A206 WeakPolarHBondContact OD1-CB 3.48Å; N204-A206 PolarHBondContact OD1-N 2.94Å; A206-W209 PolarHBondContact O-N 3.13Å; A206-W210 PolarHBondContact O-N 2.9Å; A206-W210 VanDerWaalsContact O-N 3.17Å; A206-L265 HydrophobicContact CB-CB 4.43Å; A206-R268 PolarHBondContact O-NH1 3.47Å; A206-N271 HydrophobicContact CB-CB 3.87Å |
| 207 | V | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 23.7 Ų | 23.7 | 2% | 0.024 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.5 | -33.3 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 112.3 | I151 R153 A194 E196 I197 Y203 N204 K205 W209 W210 A211 | I151-V207 HydrophobicContact CG2-CG2 3.94Å; R153-V207 HydrophobicContact CG-CG2 4.4Å; A194-V207 HydrophobicContact CB-CB 3.94Å; A194-V207 HydrophobicContact CB-CG1 3.8Å; E196-V207 HydrophobicContact CG-CG1 4.02Å; I197-V207 HydrophobicContact CD1-CB 3.9Å; I197-V207 HydrophobicContact CD1-CG1 3.8Å; I197-V207 HydrophobicContact CD1-CG2 4.29Å; I197-V207 HydrophobicContact CG1-CB 4.49Å; I197-V207 HydrophobicContact CG1-CG1 3.83Å; Y203-V207 HydrophobicContact CD2-CB 4.44Å; Y203-V207 HydrophobicContact CD2-CG1 3.6Å; Y203-V207 HydrophobicContact CD2-CG2 3.99Å; Y203-V207 HydrophobicContact CE2-CG1 4.43Å; Y203-V207 HydrophobicContact CE2-CG2 4.19Å; Y203-V207 HydrophobicContact CG-CG1 3.98Å; N204-V207 WeakPolarHBondContact O-CG2 3.46Å; N204-V207 PolarHBondContact O-N 2.85Å; K205-V207 PolarHBondContact O-N 3.29Å; V207-W209 VanDerWaalsContact C-N 3.33Å; V207-W209 PolarHBondContact O-N 3.23Å; V207-W210 WeakPolarHBondContact O-CB 3.3Å; V207-W210 PolarHBondContact O-N 3.13Å; V207-A211 PolarHBondContact O-N 3.03Å |
| 208 | D | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -66.7 | -37.7 | 175.4 | -74.1 | -18.4 | 0 | 0 | 0 | 110.5 | F142 H146 I151 Y152 R153 K205 A211 L212 | F142-D208 HydrophobicContact CD1-CB 4.45Å; F142-D208 HydrophobicContact CD2-CB 3.96Å; F142-D208 HydrophobicContact CE1-CB 4.22Å; F142-D208 HydrophobicContact CE2-CB 3.7Å; F142-D208 VanDerWaalsContact CE2-O 3.25Å; F142-D208 WeakPolarHBondContact CE2-O 3.41Å; F142-D208 HydrophobicContact CG-CB 4.33Å; F142-D208 HydrophobicContact CZ-CB 3.82Å; H146-D208 IonicContact CD2-OD2 3.09Å; H146-D208 IonicContact CE1-OD2 3.53Å; H146-D208 IonicContact NE2-OD2 3.72Å; H146-D208 PolarHBondContact NE2-OD2 3.21Å; I151-D208 VanDerWaalsContact CG2-OD2 3.26Å; I151-D208 WeakPolarHBondContact CG2-OD2 3.38Å; Y152-D208 PolarHBondContact N-OD1 3.08Å; Y152-D208 PolarHBondContact N-OD2 3.25Å; R153-D208 PolarHBondContact N-OD1 3.17Å; K205-D208 PolarHBondContact O-N 3.42Å; D208-A211 PolarHBondContact O-N 2.94Å; D208-L212 PolarHBondContact O-N 2.9Å |
| 209 | W | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 1% | 0.011 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -69.5 | -32.9 | 176.4 | -61.1 | 123.4 | 0 | 0 | 0 | 113.2 | V139 F142 H146 A206 V207 L212 G213 L260 F269 G270 V276 I279 | V139-W209 HydrophobicContact CG2-CZ3 4.29Å; F142-W209 HydrophobicContact CB-CH2 3.53Å; F142-W209 HydrophobicContact CB-CZ2 3.96Å; F142-W209 HydrophobicContact CB-CZ3 3.92Å; F142-W209 HydrophobicContact CD2-CE3 4Å; F142-W209 HydrophobicContact CD2-CH2 4.34Å; F142-W209 AromaticContact CD2-CZ3 3.87Å; F142-W209 HydrophobicContact CD2-CZ3 3.87Å; F142-W209 HydrophobicContact CG-CH2 4.48Å; F142-W209 HydrophobicContact CG-CZ3 4.43Å; H146-W209 AromaticContact CE1-CE2 3.71Å; H146-W209 AromaticContact CE1-CZ2 3.93Å; H146-W209 AromaticContact CE1-NE1 3.53Å; H146-W209 AromaticContact ND1-CE2 3.75Å; H146-W209 AromaticContact ND1-CZ2 3.71Å; H146-W209 AromaticContact ND1-NE1 3.5Å; H146-W209 PolarHBondContact ND1-NE1 3.06Å; A206-W209 PolarHBondContact O-N 3.13Å; V207-W209 VanDerWaalsContact C-N 3.33Å; V207-W209 PolarHBondContact O-N 3.23Å; W209-L212 HydrophobicContact CE3-CD2 3.74Å; W209-L212 HydrophobicContact CZ3-CD2 3.85Å; W209-L212 PolarHBondContact O-N 2.83Å; W209-G213 PolarHBondContact O-N 3.43Å; W209-L260 HydrophobicContact CB-CD2 4.37Å; W209-F269 WeakPolarHBondContact CB-O 3.38Å; W209-G270 PolarHBondContact NE1-O 3.45Å; W209-V276 HydrophobicContact CH2-CB 4.23Å; W209-V276 HydrophobicContact CH2-CG2 3.6Å; W209-V276 HydrophobicContact CZ2-CB 4.13Å; W209-V276 HydrophobicContact CZ2-CG2 4.01Å; W209-V276 HydrophobicContact CZ3-CG2 4.44Å; W209-I279 HydrophobicContact CD2-CD1 3.73Å; W209-I279 HydrophobicContact CE3-CD1 3.29Å; W209-I279 HydrophobicContact CG-CD1 4.41Å; W209-I279 HydrophobicContact CH2-CD1 4.17Å; W209-I279 HydrophobicContact CZ3-CD1 3.55Å |
| 210 | W | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.5 | -49.9 | 168.8 | 173.5 | -84.6 | 0 | 0 | 0 | 110.9 | L193 A194 P195 A206 V207 L212 G213 V214 F226 I238 L261 V263 | L193-W210 PolarHBondContact O-NE1 3.47Å; A194-W210 HydrophobicContact CB-CB 3.93Å; A194-W210 HydrophobicContact CB-CD2 4.36Å; A194-W210 HydrophobicContact CB-CG 3.79Å; P195-W210 HydrophobicContact CG-CE3 4.24Å; P195-W210 HydrophobicContact CG-CH2 3.58Å; P195-W210 HydrophobicContact CG-CZ2 3.98Å; P195-W210 HydrophobicContact CG-CZ3 3.72Å; A206-W210 PolarHBondContact O-N 2.9Å; A206-W210 VanDerWaalsContact O-N 3.17Å; V207-W210 WeakPolarHBondContact O-CB 3.3Å; V207-W210 PolarHBondContact O-N 3.13Å; W210-L212 PolarHBondContact O-N 3.17Å; W210-G213 WeakPolarHBondContact O-CA 3.49Å; W210-G213 PolarHBondContact O-N 3.05Å; W210-V214 PolarHBondContact O-N 3.41Å; W210-F226 HydrophobicContact CH2-CE2 4.03Å; W210-F226 AromaticContact CH2-CZ 3.97Å; W210-F226 HydrophobicContact CH2-CZ 3.97Å; W210-F226 HydrophobicContact CZ2-CD2 4.29Å; W210-F226 AromaticContact CZ2-CE2 3.4Å; W210-F226 HydrophobicContact CZ2-CE2 3.4Å; W210-F226 VanDerWaalsContact CZ2-CE2 3.4Å; W210-F226 AromaticContact CZ2-CZ 3.81Å; W210-F226 HydrophobicContact CZ2-CZ 3.81Å; W210-I238 HydrophobicContact CH2-CG2 4.35Å; W210-I238 HydrophobicContact CZ2-CG2 3.74Å; W210-L261 HydrophobicContact CD2-CD2 4.08Å; W210-L261 HydrophobicContact CE3-CD2 4.34Å; W210-L261 HydrophobicContact CH2-CB 4.46Å; W210-L261 HydrophobicContact CZ2-CD2 4.29Å; W210-L261 HydrophobicContact CZ3-CB 4.26Å; W210-L261 WeakPolarHBondContact CZ3-O 3.29Å; W210-V263 HydrophobicContact CH2-CG2 4.3Å; W210-V263 HydrophobicContact CZ3-CG2 4.29Å |
| 211 | A | 98.9 | Very high | 98.5 | Very high | 7 Ų | 7 | 14.5 Ų | 14.5 | 6% | 0.058 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.3 | -34.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | L155 Y192 V207 D208 G213 V214 L215 | L155-A211 HydrophobicContact CB-CB 3.95Å; L155-A211 HydrophobicContact CD2-CB 4.2Å; Y192-A211 HydrophobicContact CD1-CB 4.2Å; V207-A211 PolarHBondContact O-N 3.03Å; D208-A211 PolarHBondContact O-N 2.94Å; A211-G213 VanDerWaalsContact C-N 3.32Å; A211-G213 PolarHBondContact O-N 3.17Å; A211-V214 PolarHBondContact O-N 2.68Å; A211-L215 WeakPolarHBondContact O-CB 3.32Å; A211-L215 PolarHBondContact O-N 3.09Å |
| 212 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 9.4 Ų | 9.4 | 0% | 0 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -60.6 | -41.2 | 170.7 | 176.9 | 64.5 | 0 | 0 | 0 | 111.8 | A135 I138 V139 F142 L155 D208 W209 W210 V214 L215 I216 L260 | A135-L212 HydrophobicContact CB-CD1 4.49Å; I138-L212 HydrophobicContact CB-CD1 4.06Å; I138-L212 HydrophobicContact CG2-CD1 3.85Å; V139-L212 HydrophobicContact CG2-CD2 3.56Å; F142-L212 HydrophobicContact CE2-CB 4.24Å; L155-L212 HydrophobicContact CD2-CB 4.34Å; D208-L212 PolarHBondContact O-N 2.9Å; W209-L212 HydrophobicContact CE3-CD2 3.74Å; W209-L212 HydrophobicContact CZ3-CD2 3.85Å; W209-L212 PolarHBondContact O-N 2.83Å; W210-L212 PolarHBondContact O-N 3.17Å; L212-V214 VanDerWaalsContact C-N 3.34Å; L212-L215 PolarHBondContact O-N 3.36Å; L212-I216 HydrophobicContact CD1-CD1 3.87Å; L212-I216 HydrophobicContact CD1-CG1 4.01Å; L212-I216 HydrophobicContact CD2-CD1 4.41Å; L212-I216 HydrophobicContact CG-CD1 3.81Å; L212-I216 HydrophobicContact CG-CG1 4.34Å; L212-I216 WeakPolarHBondContact O-CB 3.41Å; L212-I216 VanDerWaalsContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 2.88Å; L212-I216 PolarHBondContact O-N 2.88Å; L212-L260 HydrophobicContact CD2-CD1 4.39Å; L212-L260 HydrophobicContact CG-CD1 4.34Å |
| 213 | G | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.4 | -43.1 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | W209 W210 A211 Y217 L257 | W209-G213 PolarHBondContact O-N 3.43Å; W210-G213 WeakPolarHBondContact O-CA 3.49Å; W210-G213 PolarHBondContact O-N 3.05Å; A211-G213 VanDerWaalsContact C-N 3.32Å; A211-G213 PolarHBondContact O-N 3.17Å; G213-Y217 WeakPolarHBondContact O-CB 3.26Å; G213-Y217 PolarHBondContact O-N 2.9Å; G213-Y217 VanDerWaalsContact O-N 3.08Å; G213-L257 WeakPolarHBondContact O-CD2 3.4Å |
| 214 | V | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -62.2 | -47.3 | 175.7 | -180 | 0 | 0 | 0 | 0 | 110.2 | E191 Y192 W210 A211 L212 Y217 E218 P224 P225 L261 | E191-V214 WeakPolarHBondContact O-CG1 3.37Å; Y192-V214 HydrophobicContact CD1-CB 3.72Å; Y192-V214 HydrophobicContact CD1-CG1 3.56Å; Y192-V214 HydrophobicContact CD2-CG1 4.05Å; Y192-V214 HydrophobicContact CE1-CB 3.76Å; Y192-V214 HydrophobicContact CE1-CG1 3.48Å; Y192-V214 VanDerWaalsContact CE1-CG1 3.48Å; Y192-V214 HydrophobicContact CE2-CG1 3.93Å; Y192-V214 HydrophobicContact CG-CB 4.39Å; Y192-V214 HydrophobicContact CG-CG1 3.86Å; W210-V214 PolarHBondContact O-N 3.41Å; A211-V214 PolarHBondContact O-N 2.68Å; L212-V214 VanDerWaalsContact C-N 3.34Å; V214-Y217 PolarHBondContact O-N 3.26Å; V214-E218 WeakPolarHBondContact O-CB 3.15Å; V214-E218 PolarHBondContact O-N 2.88Å; V214-P224 HydrophobicContact CG1-CB 4.44Å; V214-P225 HydrophobicContact CB-CG 4.44Å; V214-P225 HydrophobicContact CG1-CG 4.18Å; V214-P225 HydrophobicContact CG2-CG 4.3Å; V214-L261 HydrophobicContact CG2-CD2 3.74Å |
| 215 | L | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 12.4 Ų | 12.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.1 | -47.7 | 179.9 | -175.6 | 69.3 | 0 | 0 | 0 | 112.3 | M116 I138 L155 P157 L160 Y192 A211 L212 Y217 E218 M219 | M116-L215 HydrophobicContact SD-CD1 4.45Å; I138-L215 HydrophobicContact CG1-CD2 4.12Å; L155-L215 HydrophobicContact CD1-CD2 4.04Å; L155-L215 HydrophobicContact CD2-CB 4.11Å; L155-L215 HydrophobicContact CD2-CD2 3.86Å; L155-L215 HydrophobicContact CG-CD2 4.07Å; P157-L215 HydrophobicContact CG-CD1 3.85Å; L160-L215 HydrophobicContact CD1-CD1 4.1Å; L160-L215 HydrophobicContact CD1-CD2 3.64Å; Y192-L215 HydrophobicContact CE1-CB 4.02Å; Y192-L215 HydrophobicContact CE1-CD1 4.47Å; A211-L215 WeakPolarHBondContact O-CB 3.32Å; A211-L215 PolarHBondContact O-N 3.09Å; L212-L215 PolarHBondContact O-N 3.36Å; L215-Y217 VanDerWaalsContact C-N 3.32Å; L215-Y217 PolarHBondContact O-N 3.31Å; L215-E218 PolarHBondContact O-N 3.07Å; L215-M219 HydrophobicContact CD2-CE 4.39Å; L215-M219 HydrophobicContact CG-CE 4.07Å; L215-M219 HydrophobicContact CG-CG 4.49Å; L215-M219 HydrophobicContact CG-SD 4.45Å; L215-M219 WeakPolarHBondContact O-CB 3.21Å; L215-M219 WeakPolarHBondContact O-CG 3.24Å; L215-M219 PolarHBondContact O-N 3.46Å |
| 216 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -62.1 | -43.2 | 179.4 | -68.8 | 170.3 | 0 | 0 | 0 | 110.4 | A135 L212 M219 A220 L253 L256 L257 L260 W284 | A135-I216 HydrophobicContact CB-CD1 3.85Å; A135-I216 HydrophobicContact CB-CG1 3.71Å; L212-I216 HydrophobicContact CD1-CD1 3.87Å; L212-I216 HydrophobicContact CD1-CG1 4.01Å; L212-I216 HydrophobicContact CD2-CD1 4.41Å; L212-I216 HydrophobicContact CG-CD1 3.81Å; L212-I216 HydrophobicContact CG-CG1 4.34Å; L212-I216 WeakPolarHBondContact O-CB 3.41Å; L212-I216 VanDerWaalsContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 2.88Å; L212-I216 PolarHBondContact O-N 2.88Å; I216-M219 HydrophobicContact CG1-CE 4.2Å; I216-A220 WeakPolarHBondContact O-CB 3.37Å; I216-A220 PolarHBondContact O-N 3.33Å; I216-A220 VanDerWaalsContact O-N 3.14Å; I216-L253 HydrophobicContact CG2-CD1 3.57Å; I216-L256 HydrophobicContact CD1-CD2 4.21Å; I216-L257 HydrophobicContact CB-CD2 4Å; I216-L257 HydrophobicContact CG2-CD2 3.92Å; I216-L260 HydrophobicContact CD1-CD1 4.03Å; I216-W284 HydrophobicContact CD1-CZ3 4.3Å; I216-W284 HydrophobicContact CG2-CH2 3.88Å; I216-W284 HydrophobicContact CG2-CZ2 4.38Å; I216-W284 HydrophobicContact CG2-CZ3 4.27Å |
| 217 | Y | 98.9 | Very high | 98.5 | Very high | 6 Ų | 6 | 13.5 Ų | 13.5 | 2% | 0.024 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -58.9 | -50.8 | 175.1 | -176.6 | -68.8 | 0 | 0 | 0 | 110.2 | G213 V214 L215 M219 A220 A221 Y223 P225 V243 R244 F245 F249 L257 | G213-Y217 WeakPolarHBondContact O-CB 3.26Å; G213-Y217 PolarHBondContact O-N 2.9Å; G213-Y217 VanDerWaalsContact O-N 3.08Å; V214-Y217 PolarHBondContact O-N 3.26Å; L215-Y217 VanDerWaalsContact C-N 3.32Å; L215-Y217 PolarHBondContact O-N 3.31Å; Y217-M219 PolarHBondContact O-N 3.1Å; Y217-A220 PolarHBondContact O-N 2.83Å; Y217-A221 HydrophobicContact CD1-CB 3.9Å; Y217-A221 HydrophobicContact CE1-CB 3.55Å; Y217-A221 VanDerWaalsContact O-CB 3.25Å; Y217-A221 WeakPolarHBondContact O-CB 3.43Å; Y217-A221 PolarHBondContact O-N 3.49Å; Y217-Y223 VanDerWaalsContact CD1-O 3.24Å; Y217-Y223 WeakPolarHBondContact CD1-O 3.5Å; Y217-Y223 HydrophobicContact CE1-CD2 4.11Å; Y217-Y223 AromaticContact CE1-CE2 3.92Å; Y217-Y223 HydrophobicContact CE1-CE2 3.92Å; Y217-Y223 VanDerWaalsContact CE1-O 3.25Å; Y217-Y223 WeakPolarHBondContact CE1-O 3.38Å; Y217-P225 HydrophobicContact CD1-CB 3.86Å; Y217-P225 HydrophobicContact CD1-CG 4.16Å; Y217-P225 HydrophobicContact CD2-CB 3.77Å; Y217-P225 HydrophobicContact CD2-CG 4.42Å; Y217-P225 HydrophobicContact CE1-CB 4.06Å; Y217-P225 HydrophobicContact CE2-CB 3.95Å; Y217-P225 HydrophobicContact CG-CB 3.75Å; Y217-P225 HydrophobicContact CG-CG 4Å; Y217-V243 HydrophobicContact CD2-CG1 4.12Å; Y217-V243 HydrophobicContact CE2-CG1 3.8Å; Y217-R244 WeakPolarHBondContact CE2-O 3.25Å; Y217-R244 PolarHBondContact OH-O 3.14Å; Y217-F245 HydrophobicContact CD2-CD1 4.1Å; Y217-F245 HydrophobicContact CD2-CE1 4.15Å; Y217-F245 AromaticContact CE2-CD1 3.85Å; Y217-F245 HydrophobicContact CE2-CD1 3.85Å; Y217-F245 HydrophobicContact CE2-CE1 4.24Å; Y217-F249 AromaticContact CD2-CE2 3.91Å; Y217-F249 HydrophobicContact CD2-CE2 3.91Å; Y217-F249 HydrophobicContact CD2-CZ 4.45Å; Y217-F249 HydrophobicContact CE2-CE2 4.11Å; Y217-F249 HydrophobicContact CG-CE2 4.32Å; Y217-L257 HydrophobicContact CD2-CD1 4.04Å |
| 218 | E | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 14.6 Ų | 14.6 | 3% | 0.033 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63 | -42.7 | -176.8 | -179 | 161.6 | -155.1 | 0 | 0 | 112.4 | L120 R121 Y192 V214 L215 A220 G222 Y223 | L120-E218 HydrophobicContact CD2-CG 3.9Å; R121-E218 IonicContact CZ-OE1 3.74Å; R121-E218 IonicContact NH2-OE1 2.67Å; R121-E218 PolarHBondContact NH2-OE1 2.92Å; Y192-E218 WeakPolarHBondContact CE2-OE2 3.3Å; Y192-E218 PolarHBondContact OH-OE2 3.08Å; V214-E218 WeakPolarHBondContact O-CB 3.15Å; V214-E218 PolarHBondContact O-N 2.88Å; L215-E218 PolarHBondContact O-N 3.07Å; E218-A220 VanDerWaalsContact C-N 3.32Å; E218-A220 PolarHBondContact O-N 3.44Å; E218-G222 VanDerWaalsContact O-CA 3.27Å; E218-G222 WeakPolarHBondContact O-CA 3.25Å; E218-G222 PolarHBondContact O-N 2.82Å; E218-Y223 WeakPolarHBondContact CA-O 3.38Å |
| 219 | M | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -58.4 | -43.8 | 174.7 | -73.9 | -170.4 | -63.7 | 0 | 0 | 112 | M116 F126 A131 Y134 A135 L215 I216 Y217 | M116-M219 HydrophobicContact CE-SD 4.12Å; M116-M219 HydrophobicContact SD-CG 4.05Å; M116-M219 HydrophobicContact SD-SD 3.72Å; F126-M219 HydrophobicContact CD2-CB 3.97Å; F126-M219 HydrophobicContact CD2-CG 3.95Å; F126-M219 HydrophobicContact CD2-SD 4.17Å; F126-M219 HydrophobicContact CE2-CG 4.26Å; F126-M219 HydrophobicContact CE2-SD 4.44Å; F126-M219 PolarHBondContact N-O 3.34Å; A131-M219 HydrophobicContact CB-CB 3.83Å; A131-M219 HydrophobicContact CB-CE 4.14Å; A131-M219 HydrophobicContact CB-SD 4.44Å; A131-M219 WeakPolarHBondContact O-CE 3.39Å; Y134-M219 HydrophobicContact CD2-SD 3.99Å; A135-M219 HydrophobicContact CB-CE 4.25Å; L215-M219 HydrophobicContact CD2-CE 4.39Å; L215-M219 HydrophobicContact CG-CE 4.07Å; L215-M219 HydrophobicContact CG-CG 4.49Å; L215-M219 HydrophobicContact CG-SD 4.45Å; L215-M219 WeakPolarHBondContact O-CB 3.21Å; L215-M219 WeakPolarHBondContact O-CG 3.24Å; L215-M219 PolarHBondContact O-N 3.46Å; I216-M219 HydrophobicContact CG1-CE 4.2Å; Y217-M219 PolarHBondContact O-N 3.1Å |
| 220 | A | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 27 Ų | 27 | 2% | 0.017 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -81.5 | -29.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R125 I216 Y217 E218 F249 L253 | R125-A220 WeakPolarHBondContact CD-O 3.33Å; R125-A220 PolarHBondContact NH1-O 3Å; I216-A220 WeakPolarHBondContact O-CB 3.37Å; I216-A220 PolarHBondContact O-N 3.33Å; I216-A220 VanDerWaalsContact O-N 3.14Å; Y217-A220 PolarHBondContact O-N 2.83Å; E218-A220 VanDerWaalsContact C-N 3.32Å; E218-A220 PolarHBondContact O-N 3.44Å; A220-F249 HydrophobicContact CB-CD1 4.45Å; A220-F249 HydrophobicContact CB-CE1 3.6Å; A220-F249 HydrophobicContact CB-CE2 4.47Å; A220-F249 HydrophobicContact CB-CZ 3.59Å; A220-L253 HydrophobicContact CB-CD2 3.87Å |
| 221 | A | 98.6 | Very high | 97.7 | Very high | 9 Ų | 9 | 29.8 Ų | 29.8 | 7% | 0.074 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -94.7 | -30.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y217 Y223 P246 F249 | Y217-A221 HydrophobicContact CD1-CB 3.9Å; Y217-A221 HydrophobicContact CE1-CB 3.55Å; Y217-A221 VanDerWaalsContact O-CB 3.25Å; Y217-A221 WeakPolarHBondContact O-CB 3.43Å; Y217-A221 PolarHBondContact O-N 3.49Å; A221-Y223 HydrophobicContact CB-CD1 4.07Å; A221-Y223 HydrophobicContact CB-CE1 3.89Å; A221-Y223 HydrophobicContact CB-CE2 4.42Å; A221-Y223 HydrophobicContact CB-CG 4.42Å; A221-Y223 WeakPolarHBondContact O-CD1 3.39Å; A221-P246 HydrophobicContact CB-CG 4.11Å; A221-F249 HydrophobicContact CB-CE1 4.08Å; A221-F249 HydrophobicContact CB-CZ 3.78Å |
| 222 | G | 98.4 | Very high | 97.5 | Very high | 11 Ų | 11 | 34.5 Ų | 34.5 | 11% | 0.113 | 18% | 0.18 | C | C | . | . | S | Bend | trans | 87.9 | 1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R121 G124 E218 | R121-G222 PolarHBondContact NH1-O 2.89Å; G124-G222 WeakPolarHBondContact O-CA 3.17Å; E218-G222 VanDerWaalsContact O-CA 3.27Å; E218-G222 WeakPolarHBondContact O-CA 3.25Å; E218-G222 PolarHBondContact O-N 2.82Å |
| 223 | Y | 98.2 | Very high | 97.5 | Very high | 93 Ų | 93 | 38.4 Ų | 38.4 | 37% | 0.365 | 20% | 0.199 | S | C | . | . | S | Bend | trans | -152.5 | 151.4 | 179.3 | 57.1 | -90 | 0 | 0 | 0 | 109.8 | Y217 E218 A221 F227 | Y217-Y223 VanDerWaalsContact CD1-O 3.24Å; Y217-Y223 WeakPolarHBondContact CD1-O 3.5Å; Y217-Y223 HydrophobicContact CE1-CD2 4.11Å; Y217-Y223 AromaticContact CE1-CE2 3.92Å; Y217-Y223 HydrophobicContact CE1-CE2 3.92Å; Y217-Y223 VanDerWaalsContact CE1-O 3.25Å; Y217-Y223 WeakPolarHBondContact CE1-O 3.38Å; E218-Y223 WeakPolarHBondContact CA-O 3.38Å; A221-Y223 HydrophobicContact CB-CD1 4.07Å; A221-Y223 HydrophobicContact CB-CE1 3.89Å; A221-Y223 HydrophobicContact CB-CE2 4.42Å; A221-Y223 HydrophobicContact CB-CG 4.42Å; A221-Y223 WeakPolarHBondContact O-CD1 3.39Å; Y223-F227 HydrophobicContact CD2-CD1 4.27Å; Y223-F227 AromaticContact CD2-CE1 3.86Å; Y223-F227 HydrophobicContact CD2-CE1 3.86Å; Y223-F227 HydrophobicContact CE2-CE1 4.21Å |
| 224 | P | 98.2 | Very high | 97.4 | Very high | 14 Ų | 14 | 38.6 Ų | 38.6 | 9% | 0.091 | 20% | 0.2 | C | C | . | . | trans | -71.3 | 155.5 | -177.7 | 28.3 | -32 | 0 | 0 | 0 | 111.7 | E191 V214 F226 F227 | E191-P224 HydrophobicContact CB-CB 4.32Å; E191-P224 HydrophobicContact CB-CG 4.39Å; E191-P224 HydrophobicContact CG-CG 4.14Å; V214-P224 HydrophobicContact CG1-CB 4.44Å; P224-F226 PolarHBondContact O-N 3.29Å; P224-F227 HydrophobicContact CG-CB 4.19Å; P224-F227 WeakPolarHBondContact O-CD1 3.33Å | ||
| 225 | P | 98.3 | Very high | 97.4 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 11% | 0.11 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -65.6 | -27.5 | -178.6 | 24.3 | -32 | 0 | 0 | 0 | 113.2 | V214 Y217 V243 L261 | V214-P225 HydrophobicContact CB-CG 4.44Å; V214-P225 HydrophobicContact CG1-CG 4.18Å; V214-P225 HydrophobicContact CG2-CG 4.3Å; Y217-P225 HydrophobicContact CD1-CB 3.86Å; Y217-P225 HydrophobicContact CD1-CG 4.16Å; Y217-P225 HydrophobicContact CD2-CB 3.77Å; Y217-P225 HydrophobicContact CD2-CG 4.42Å; Y217-P225 HydrophobicContact CE1-CB 4.06Å; Y217-P225 HydrophobicContact CE2-CB 3.95Å; Y217-P225 HydrophobicContact CG-CB 3.75Å; Y217-P225 HydrophobicContact CG-CG 4Å; P225-V243 HydrophobicContact CB-CG1 4.05Å; P225-L261 HydrophobicContact CB-CD1 4.29Å; P225-L261 HydrophobicContact CG-CD1 4.12Å |
| 226 | F | 97.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -123.3 | 105.2 | 179.3 | -45.1 | -74.2 | 0 | 0 | 0 | 108.7 | W210 P224 I234 K237 I238 V243 L261 | W210-F226 HydrophobicContact CH2-CE2 4.03Å; W210-F226 AromaticContact CH2-CZ 3.97Å; W210-F226 HydrophobicContact CH2-CZ 3.97Å; W210-F226 HydrophobicContact CZ2-CD2 4.29Å; W210-F226 AromaticContact CZ2-CE2 3.4Å; W210-F226 HydrophobicContact CZ2-CE2 3.4Å; W210-F226 VanDerWaalsContact CZ2-CE2 3.4Å; W210-F226 AromaticContact CZ2-CZ 3.81Å; W210-F226 HydrophobicContact CZ2-CZ 3.81Å; P224-F226 PolarHBondContact O-N 3.29Å; F226-I234 HydrophobicContact CB-CG2 4.28Å; F226-K237 HydrophobicContact CB-CB 4.41Å; F226-K237 HydrophobicContact CD1-CB 4.01Å; F226-I238 HydrophobicContact CB-CD1 4.41Å; F226-I238 HydrophobicContact CB-CG1 3.72Å; F226-I238 HydrophobicContact CD1-CG1 4.21Å; F226-I238 HydrophobicContact CD2-CG1 3.58Å; F226-I238 HydrophobicContact CE2-CG1 4.22Å; F226-I238 HydrophobicContact CG-CG1 3.57Å; F226-V243 HydrophobicContact CE1-CG2 3.7Å; F226-V243 HydrophobicContact CE2-CG2 4.38Å; F226-V243 HydrophobicContact CZ-CG2 3.42Å; F226-V243 VanDerWaalsContact CZ-CG2 3.42Å; F226-L261 HydrophobicContact CE2-CD2 4.4Å |
| 227 | F | 94.2 | Very high | 97.3 | Very high | 110 Ų | 110 | 51.7 Ų | 51.7 | 48% | 0.482 | 26% | 0.257 | S | S | . | . | trans | -137.1 | 149.6 | 174.1 | 67.8 | -82.4 | 0 | 0 | 0 | 110.1 | Y223 P224 K237 | Y223-F227 HydrophobicContact CD2-CD1 4.27Å; Y223-F227 AromaticContact CD2-CE1 3.86Å; Y223-F227 HydrophobicContact CD2-CE1 3.86Å; Y223-F227 HydrophobicContact CE2-CE1 4.21Å; P224-F227 HydrophobicContact CG-CB 4.19Å; P224-F227 WeakPolarHBondContact O-CD1 3.33Å; F227-K237 PolarHBondContact O-NZ 3.06Å | ||
| 228 | A | 95.6 | Very high | 97.2 | Very high | 26 Ų | 26 | 51.4 Ų | 51.4 | 22% | 0.215 | 26% | 0.256 | C | S | . | . | trans | -165.8 | 169 | 175.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q230 Q233 I234 | A228-Q230 VanDerWaalsContact C-N 3.3Å; A228-Q230 PolarHBondContact O-N 3.21Å; A228-Q233 HydrophobicContact CB-CB 3.5Å; A228-I234 HydrophobicContact CB-CG1 3.84Å | ||
| 229 | D | 93.9 | Very high | 97.2 | Very high | 152 Ų | 152 | 53.5 Ų | 53.5 | 81% | 0.813 | 27% | 0.269 | S | S | * | . | S | Bend | trans | -72.2 | -26.9 | -176.9 | -58.1 | -29.1 | 0 | 0 | 0 | 112.7 | ||
| 230 | Q | 95.1 | Very high | 97.1 | Very high | 113 Ų | 113 | 56.5 Ų | 56.5 | 53% | 0.528 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -121 | 136.6 | -178.1 | -64.6 | -61.3 | -42 | 0 | 0 | 111.1 | A228 I232 Q233 I234 | A228-Q230 VanDerWaalsContact C-N 3.3Å; A228-Q230 PolarHBondContact O-N 3.21Å; Q230-I232 HydrophobicContact CB-CG2 4.16Å; Q230-I232 PolarHBondContact O-N 3.33Å; Q230-I232 VanDerWaalsContact O-N 3.1Å; Q230-Q233 HydrophobicContact CB-CG 4.32Å; Q230-Q233 WeakPolarHBondContact O-CB 3.49Å; Q230-Q233 PolarHBondContact O-N 3.44Å; Q230-I234 PolarHBondContact O-N 3.24Å |
| 231 | P | 94.3 | Very high | 96.8 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 38% | 0.377 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -52.8 | -36.5 | -179.8 | -29.9 | 35.6 | 0 | 0 | 0 | 114.2 | Q233 I234 Y235 | P231-Q233 VanDerWaalsContact C-N 3.29Å; P231-Q233 PolarHBondContact O-N 3.28Å; P231-I234 WeakPolarHBondContact O-CB 3.43Å; P231-I234 PolarHBondContact O-N 2.8Å; P231-I234 VanDerWaalsContact O-N 3.13Å; P231-Y235 HydrophobicContact CB-CE2 4.21Å; P231-Y235 WeakPolarHBondContact O-CD1 3.5Å; P231-Y235 WeakPolarHBondContact O-CD2 3.48Å; P231-Y235 PolarHBondContact O-N 3.18Å |
| 232 | I | 95.6 | Very high | 96.5 | Very high | 106 Ų | 106 | 65.4 Ų | 65.4 | 54% | 0.544 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.7 | -37.8 | 178.4 | -168.2 | 61.6 | 0 | 0 | 0 | 112.7 | Q230 Y235 E236 | Q230-I232 HydrophobicContact CB-CG2 4.16Å; Q230-I232 PolarHBondContact O-N 3.33Å; Q230-I232 VanDerWaalsContact O-N 3.1Å; I232-Y235 HydrophobicContact CD1-CD2 4.41Å; I232-Y235 WeakPolarHBondContact O-CB 3.3Å; I232-Y235 PolarHBondContact O-N 3.39Å; I232-E236 WeakPolarHBondContact O-CG 3.46Å; I232-E236 PolarHBondContact O-N 2.85Å |
| 233 | Q | 97.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 66.2 Ų | 66.2 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -72.3 | -33.3 | 177.9 | -63.3 | 172.7 | -6.5 | 0 | 0 | 111.3 | A228 Q230 P231 Y235 K237 | A228-Q233 HydrophobicContact CB-CB 3.5Å; Q230-Q233 HydrophobicContact CB-CG 4.32Å; Q230-Q233 WeakPolarHBondContact O-CB 3.49Å; Q230-Q233 PolarHBondContact O-N 3.44Å; P231-Q233 VanDerWaalsContact C-N 3.29Å; P231-Q233 PolarHBondContact O-N 3.28Å; Q233-Y235 VanDerWaalsContact C-N 3.33Å; Q233-K237 WeakPolarHBondContact O-CG 3.32Å; Q233-K237 PolarHBondContact O-N 3.5Å |
| 234 | I | 97.6 | Very high | 96.4 | Very high | 4 Ų | 4 | 72.5 Ų | 72.5 | 2% | 0.021 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.7 | -46.2 | 171.7 | -58.2 | 177.2 | 0 | 0 | 0 | 109.1 | P190 E191 F226 A228 Q230 P231 E236 K237 I238 | P190-I234 HydrophobicContact CB-CD1 4.43Å; E191-I234 HydrophobicContact CG-CD1 4.24Å; F226-I234 HydrophobicContact CB-CG2 4.28Å; A228-I234 HydrophobicContact CB-CG1 3.84Å; Q230-I234 PolarHBondContact O-N 3.24Å; P231-I234 WeakPolarHBondContact O-CB 3.43Å; P231-I234 PolarHBondContact O-N 2.8Å; P231-I234 VanDerWaalsContact O-N 3.13Å; I234-E236 PolarHBondContact O-N 3.47Å; I234-K237 WeakPolarHBondContact O-CB 3.28Å; I234-K237 PolarHBondContact O-N 3.49Å; I234-I238 HydrophobicContact CG2-CD1 3.75Å; I234-I238 HydrophobicContact CG2-CG1 4.39Å; I234-I238 WeakPolarHBondContact O-CG1 3.43Å; I234-I238 PolarHBondContact O-N 3.04Å |
| 235 | Y | 97.8 | Very high | 96.4 | Very high | 60 Ų | 60 | 74.1 Ų | 74.1 | 24% | 0.235 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -62.4 | -43.2 | -179.8 | -59.3 | -18.6 | 0 | 0 | 0 | 112.9 | P190 L193 I198 P231 I232 Q233 K237 I238 V239 | P190-Y235 HydrophobicContact CB-CE1 3.91Å; L193-Y235 HydrophobicContact CD1-CE1 3.86Å; I198-Y235 HydrophobicContact CD1-CD1 3.77Å; I198-Y235 HydrophobicContact CD1-CG 4.18Å; I198-Y235 HydrophobicContact CG1-CD1 4.13Å; I198-Y235 HydrophobicContact CG1-CG 4.41Å; I198-Y235 HydrophobicContact CG2-CD2 4.49Å; I198-Y235 HydrophobicContact CG2-CG 4.08Å; P231-Y235 HydrophobicContact CB-CE2 4.21Å; P231-Y235 WeakPolarHBondContact O-CD1 3.5Å; P231-Y235 WeakPolarHBondContact O-CD2 3.48Å; P231-Y235 PolarHBondContact O-N 3.18Å; I232-Y235 HydrophobicContact CD1-CD2 4.41Å; I232-Y235 WeakPolarHBondContact O-CB 3.3Å; I232-Y235 PolarHBondContact O-N 3.39Å; Q233-Y235 VanDerWaalsContact C-N 3.33Å; Y235-K237 VanDerWaalsContact C-N 3.31Å; Y235-K237 PolarHBondContact O-N 2.86Å; Y235-I238 PolarHBondContact O-N 2.92Å; Y235-V239 WeakPolarHBondContact O-CG2 3.15Å; Y235-V239 PolarHBondContact O-N 2.94Å |
| 236 | E | 97.7 | Very high | 96.4 | Very high | 127 Ų | 127 | 74 Ų | 74 | 59% | 0.593 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.7 | -43.6 | 174 | -72.6 | 172.5 | 173.8 | 0 | 0 | 111.8 | I232 I234 S240 | I232-E236 WeakPolarHBondContact O-CG 3.46Å; I232-E236 PolarHBondContact O-N 2.85Å; I234-E236 PolarHBondContact O-N 3.47Å; E236-S240 WeakPolarHBondContact O-CB 3.46Å; E236-S240 PolarHBondContact O-N 2.87Å; E236-S240 VanDerWaalsContact O-N 3.09Å |
| 237 | K | 98 | Very high | 96.4 | Very high | 88 Ų | 88 | 79.4 Ų | 79.4 | 38% | 0.383 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 177.1 | -71.3 | 178.5 | -178.7 | -169 | 0 | 111.9 | F226 F227 Q233 I234 Y235 S240 G241 | F226-K237 HydrophobicContact CB-CB 4.41Å; F226-K237 HydrophobicContact CD1-CB 4.01Å; F227-K237 PolarHBondContact O-NZ 3.06Å; Q233-K237 WeakPolarHBondContact O-CG 3.32Å; Q233-K237 PolarHBondContact O-N 3.5Å; I234-K237 WeakPolarHBondContact O-CB 3.28Å; I234-K237 PolarHBondContact O-N 3.49Å; Y235-K237 VanDerWaalsContact C-N 3.31Å; Y235-K237 PolarHBondContact O-N 2.86Å; K237-S240 PolarHBondContact O-N 3.23Å; K237-S240 PolarHBondContact O-OG 3.17Å; K237-G241 PolarHBondContact O-N 3.44Å |
| 238 | I | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 78.4 Ų | 78.4 | 0% | 0 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -57.8 | -51.8 | 178.5 | -73.6 | 167.3 | 0 | 0 | 0 | 110.7 | P190 P195 I198 W210 F226 I234 Y235 S240 G241 | P190-I238 WeakPolarHBondContact O-CD1 3.21Å; P195-I238 HydrophobicContact CB-CG2 4.28Å; P195-I238 HydrophobicContact CG-CG2 3.73Å; I198-I238 HydrophobicContact CD1-CB 3.81Å; I198-I238 HydrophobicContact CD1-CD1 3.8Å; I198-I238 HydrophobicContact CD1-CG1 4.41Å; I198-I238 HydrophobicContact CD1-CG2 3.47Å; I198-I238 VanDerWaalsContact CD1-CG2 3.47Å; W210-I238 HydrophobicContact CH2-CG2 4.35Å; W210-I238 HydrophobicContact CZ2-CG2 3.74Å; F226-I238 HydrophobicContact CB-CD1 4.41Å; F226-I238 HydrophobicContact CB-CG1 3.72Å; F226-I238 HydrophobicContact CD1-CG1 4.21Å; F226-I238 HydrophobicContact CD2-CG1 3.58Å; F226-I238 HydrophobicContact CE2-CG1 4.22Å; F226-I238 HydrophobicContact CG-CG1 3.57Å; I234-I238 HydrophobicContact CG2-CD1 3.75Å; I234-I238 HydrophobicContact CG2-CG1 4.39Å; I234-I238 WeakPolarHBondContact O-CG1 3.43Å; I234-I238 PolarHBondContact O-N 3.04Å; Y235-I238 PolarHBondContact O-N 2.92Å; I238-S240 VanDerWaalsContact C-N 3.26Å; I238-S240 PolarHBondContact O-N 3.1Å; I238-G241 PolarHBondContact O-N 2.63Å; I238-G241 VanDerWaalsContact O-N 3.07Å |
| 239 | V | 97.5 | Very high | 96.7 | Very high | 50 Ų | 50 | 77.4 Ų | 77.4 | 30% | 0.303 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.9 | -30.2 | -177.6 | 175.5 | 0 | 0 | 0 | 0 | 111.7 | I198 L199 Y235 G241 | I198-V239 HydrophobicContact CB-CG2 4.4Å; I198-V239 HydrophobicContact CG2-CG2 4.02Å; L199-V239 HydrophobicContact CD1-CG1 4.31Å; L199-V239 HydrophobicContact CD2-CG1 4.26Å; L199-V239 HydrophobicContact CD2-CG2 4.24Å; L199-V239 HydrophobicContact CG-CG2 4.19Å; Y235-V239 WeakPolarHBondContact O-CG2 3.15Å; Y235-V239 PolarHBondContact O-N 2.94Å; V239-G241 PolarHBondContact O-N 3.05Å |
| 240 | S | 96.9 | Very high | 97 | Very high | 63 Ų | 63 | 72 Ų | 72 | 44% | 0.441 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -23.7 | 174.9 | 83.7 | 0 | 0 | 0 | 0 | 113.9 | E236 K237 I238 K242 | E236-S240 WeakPolarHBondContact O-CB 3.46Å; E236-S240 PolarHBondContact O-N 2.87Å; E236-S240 VanDerWaalsContact O-N 3.09Å; K237-S240 PolarHBondContact O-N 3.23Å; K237-S240 PolarHBondContact O-OG 3.17Å; I238-S240 VanDerWaalsContact C-N 3.26Å; I238-S240 PolarHBondContact O-N 3.1Å; S240-K242 PolarHBondContact O-N 3.46Å; S240-K242 VanDerWaalsContact O-N 3.16Å; S240-K242 PolarHBondContact OG-N 3.24Å |
| 241 | G | 92.1 | Very high | 97.1 | Very high | 26 Ų | 26 | 70.9 Ų | 70.9 | 27% | 0.268 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 7.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | K237 I238 V239 V243 | K237-G241 PolarHBondContact O-N 3.44Å; I238-G241 PolarHBondContact O-N 2.63Å; I238-G241 VanDerWaalsContact O-N 3.07Å; V239-G241 PolarHBondContact O-N 3.05Å; G241-V243 PolarHBondContact O-N 3.45Å; G241-V243 VanDerWaalsContact O-N 3.16Å |
| 242 | K | 93.9 | Very high | 97.4 | Very high | 173 Ų | 173 | 70.8 Ų | 70.8 | 75% | 0.752 | 37% | 0.366 | S | S | * | . | trans | -83.9 | 92.7 | -176.3 | -66.7 | -179.4 | -176.9 | 175.2 | 0 | 110.7 | S240 | S240-K242 PolarHBondContact O-N 3.46Å; S240-K242 VanDerWaalsContact O-N 3.16Å; S240-K242 PolarHBondContact OG-N 3.24Å | ||
| 243 | V | 96.3 | Very high | 97.5 | Very high | 28 Ų | 28 | 65.8 Ų | 65.8 | 17% | 0.17 | 34% | 0.34 | C | S | . | . | trans | -94.2 | 130.7 | 174.5 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | Y217 P225 F226 G241 F245 L261 | Y217-V243 HydrophobicContact CD2-CG1 4.12Å; Y217-V243 HydrophobicContact CE2-CG1 3.8Å; P225-V243 HydrophobicContact CB-CG1 4.05Å; F226-V243 HydrophobicContact CE1-CG2 3.7Å; F226-V243 HydrophobicContact CE2-CG2 4.38Å; F226-V243 HydrophobicContact CZ-CG2 3.42Å; F226-V243 VanDerWaalsContact CZ-CG2 3.42Å; G241-V243 PolarHBondContact O-N 3.45Å; G241-V243 VanDerWaalsContact O-N 3.16Å; V243-F245 HydrophobicContact CB-CE1 4.44Å; V243-F245 HydrophobicContact CB-CZ 4.11Å; V243-F245 HydrophobicContact CG1-CD1 4.09Å; V243-F245 HydrophobicContact CG1-CE1 3.58Å; V243-F245 HydrophobicContact CG1-CE2 4.37Å; V243-F245 HydrophobicContact CG1-CZ 3.74Å; V243-L261 HydrophobicContact CG1-CD1 4.29Å; V243-L261 HydrophobicContact CG2-CB 4.32Å; V243-L261 HydrophobicContact CG2-CD1 3.93Å | ||
| 244 | R | 96.7 | Very high | 97.6 | Very high | 224 Ų | 224 | 64 Ų | 64 | 85% | 0.845 | 33% | 0.331 | S | S | * | . | trans | -100.2 | 137.7 | 168.4 | -65.6 | -175.2 | -179.6 | -164.7 | 0.2 | 108.5 | Y217 | Y217-R244 WeakPolarHBondContact CE2-O 3.25Å; Y217-R244 PolarHBondContact OH-O 3.14Å | ||
| 245 | F | 98.3 | Very high | 97.6 | Very high | 48 Ų | 48 | 67.1 Ų | 67.1 | 21% | 0.211 | 35% | 0.348 | C | S | . | . | trans | -108.4 | 139.5 | -179.5 | -60.1 | -72.6 | 0 | 0 | 0 | 111 | Y217 V243 F249 K254 L257 R258 | Y217-F245 HydrophobicContact CD2-CD1 4.1Å; Y217-F245 HydrophobicContact CD2-CE1 4.15Å; Y217-F245 AromaticContact CE2-CD1 3.85Å; Y217-F245 HydrophobicContact CE2-CD1 3.85Å; Y217-F245 HydrophobicContact CE2-CE1 4.24Å; V243-F245 HydrophobicContact CB-CE1 4.44Å; V243-F245 HydrophobicContact CB-CZ 4.11Å; V243-F245 HydrophobicContact CG1-CD1 4.09Å; V243-F245 HydrophobicContact CG1-CE1 3.58Å; V243-F245 HydrophobicContact CG1-CE2 4.37Å; V243-F245 HydrophobicContact CG1-CZ 3.74Å; F245-F249 HydrophobicContact CB-CD2 4.29Å; F245-F249 AromaticContact CD1-CD2 3.94Å; F245-F249 HydrophobicContact CD1-CD2 3.94Å; F245-F249 HydrophobicContact CD1-CE2 4.2Å; F245-K254 HydrophobicContact CB-CD 4.16Å; F245-K254 HydrophobicContact CB-CG 3.93Å; F245-K254 HydrophobicContact CD1-CG 4.3Å; F245-K254 HydrophobicContact CD2-CB 4.44Å; F245-K254 HydrophobicContact CD2-CG 4.14Å; F245-K254 HydrophobicContact CG-CD 4.47Å; F245-K254 HydrophobicContact CG-CG 3.86Å; F245-L257 HydrophobicContact CD1-CD1 4.13Å; F245-L257 HydrophobicContact CE1-CB 3.66Å; F245-L257 HydrophobicContact CE1-CD1 3.8Å; F245-L257 HydrophobicContact CE1-CG 4.41Å; F245-L257 HydrophobicContact CZ-CB 4.1Å; F245-R258 HydrophobicContact CE2-CG 3.98Å; F245-R258 HydrophobicContact CZ-CG 4Å | ||
| 246 | P | 98.4 | Very high | 97.7 | Very high | 14 Ų | 14 | 64.3 Ų | 64.3 | 9% | 0.091 | 34% | 0.336 | C | S | . | . | trans | -55.9 | 148.3 | 169.4 | -24.6 | 34.6 | 0 | 0 | 0 | 112.1 | A221 H248 F249 K254 | A221-P246 HydrophobicContact CB-CG 4.11Å; P246-H248 WeakPolarHBondContact CB-CE1 3.2Å; P246-H248 WeakPolarHBondContact CB-NE2 3.4Å; P246-H248 PolarHBondContact O-N 2.91Å; P246-F249 HydrophobicContact CB-CD1 3.99Å; P246-F249 HydrophobicContact CB-CE1 4.19Å; P246-F249 HydrophobicContact CG-CD1 4Å; P246-F249 HydrophobicContact CG-CE1 3.74Å; P246-F249 HydrophobicContact CG-CZ 4.05Å; P246-F249 PolarHBondContact O-N 2.98Å; P246-K254 WeakPolarHBondContact O-CE 3.39Å | ||
| 247 | S | 98.1 | Very high | 97.8 | Very high | 116 Ų | 116 | 58.2 Ų | 58.2 | 81% | 0.811 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -36.3 | 179.7 | 53.4 | 0 | 0 | 0 | 0 | 112.1 | F249 K254 | S247-F249 VanDerWaalsContact C-N 3.28Å; S247-F249 PolarHBondContact O-N 3.3Å; S247-K254 PolarHBondContact O-NZ 2.85Å |
| 248 | H | 98.5 | Very high | 97.8 | Very high | 88 Ų | 88 | 60.1 Ų | 60.1 | 41% | 0.407 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -6.6 | -178.4 | 61.7 | -112.9 | 0 | 0 | 0 | 115 | R125 P246 | R125-H248 PolarHBondContact NH1-CD2 3.29Å; R125-H248 PolarHBondContact NH1-CE1 2.64Å; R125-H248 PolarHBondContact NH1-NE2 3.14Å; P246-H248 WeakPolarHBondContact CB-CE1 3.2Å; P246-H248 WeakPolarHBondContact CB-NE2 3.4Å; P246-H248 PolarHBondContact O-N 2.91Å |
| 249 | F | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.026 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -70.6 | 133.1 | 172.9 | -83.3 | 22.6 | 0 | 0 | 0 | 109.9 | Y217 A220 A221 F245 P246 S247 L253 K254 L257 | Y217-F249 AromaticContact CD2-CE2 3.91Å; Y217-F249 HydrophobicContact CD2-CE2 3.91Å; Y217-F249 HydrophobicContact CD2-CZ 4.45Å; Y217-F249 HydrophobicContact CE2-CE2 4.11Å; Y217-F249 HydrophobicContact CG-CE2 4.32Å; A220-F249 HydrophobicContact CB-CD1 4.45Å; A220-F249 HydrophobicContact CB-CE1 3.6Å; A220-F249 HydrophobicContact CB-CE2 4.47Å; A220-F249 HydrophobicContact CB-CZ 3.59Å; A221-F249 HydrophobicContact CB-CE1 4.08Å; A221-F249 HydrophobicContact CB-CZ 3.78Å; F245-F249 HydrophobicContact CB-CD2 4.29Å; F245-F249 AromaticContact CD1-CD2 3.94Å; F245-F249 HydrophobicContact CD1-CD2 3.94Å; F245-F249 HydrophobicContact CD1-CE2 4.2Å; P246-F249 HydrophobicContact CB-CD1 3.99Å; P246-F249 HydrophobicContact CB-CE1 4.19Å; P246-F249 HydrophobicContact CG-CD1 4Å; P246-F249 HydrophobicContact CG-CE1 3.74Å; P246-F249 HydrophobicContact CG-CZ 4.05Å; P246-F249 PolarHBondContact O-N 2.98Å; S247-F249 VanDerWaalsContact C-N 3.28Å; S247-F249 PolarHBondContact O-N 3.3Å; F249-L253 HydrophobicContact CB-CD2 4.12Å; F249-L253 HydrophobicContact CD1-CD2 3.92Å; F249-L253 HydrophobicContact CD2-CD2 3.57Å; F249-L253 HydrophobicContact CD2-CG 3.87Å; F249-L253 HydrophobicContact CE1-CD2 4.21Å; F249-L253 HydrophobicContact CE2-CD2 3.88Å; F249-L253 HydrophobicContact CE2-CG 4.31Å; F249-L253 HydrophobicContact CG-CD2 3.59Å; F249-L253 HydrophobicContact CG-CG 4.24Å; F249-L253 HydrophobicContact CZ-CD2 4.17Å; F249-K254 HydrophobicContact CB-CD 4.33Å; F249-K254 VanDerWaalsContact CB-CE 3.49Å; F249-K254 HydrophobicContact CB-CG 3.9Å; F249-K254 WeakPolarHBondContact O-CE 3.05Å; F249-K254 PolarHBondContact O-NZ 3.42Å; F249-L257 HydrophobicContact CD2-CD1 3.91Å; F249-L257 HydrophobicContact CE2-CD1 3.58Å |
| 250 | S | 98.9 | Very high | 97.9 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 27% | 0.273 | 31% | 0.308 | S | S | . | . | trans | -60.6 | 158.2 | 173.9 | 70.3 | 0 | 0 | 0 | 0 | 112 | E128 D252 L253 K254 | E128-S250 WeakPolarHBondContact OE1-CB 3.45Å; E128-S250 PolarHBondContact OE1-N 3.2Å; E128-S250 PolarHBondContact OE1-OG 2.99Å; E128-S250 WeakPolarHBondContact OE2-CB 3.25Å; E128-S250 PolarHBondContact OE2-OG 3.1Å; S250-D252 PolarHBondContact O-N 3.13Å; S250-L253 PolarHBondContact O-N 2.61Å; S250-L253 VanDerWaalsContact OG-CB 3.27Å; S250-L253 WeakPolarHBondContact OG-CB 3.32Å; S250-L253 PolarHBondContact OG-N 3.43Å; S250-K254 WeakPolarHBondContact O-CG 3.24Å; S250-K254 PolarHBondContact O-N 3.11Å; S250-K254 VanDerWaalsContact O-N 3.07Å | ||
| 251 | S | 98.8 | Very high | 98 | Very high | 88 Ų | 88 | 57 Ų | 57 | 62% | 0.615 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -58 | -41.3 | 174.4 | 51.2 | 0 | 0 | 0 | 0 | 111.5 | K254 D255 | S251-K254 PolarHBondContact O-N 3.45Å; S251-D255 WeakPolarHBondContact O-CB 3.32Å; S251-D255 PolarHBondContact O-N 3.12Å |
| 252 | D | 98.9 | Very high | 98.3 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 31% | 0.305 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -69.2 | -39.5 | -178.4 | -63.4 | -16 | 0 | 0 | 0 | 111.3 | S250 D255 L256 H282 K283 W284 | S250-D252 PolarHBondContact O-N 3.13Å; D252-D255 PolarHBondContact O-N 3.33Å; D252-L256 PolarHBondContact O-N 2.91Å; D252-H282 PolarHBondContact O-CE1 3.04Å; D252-K283 HydrophobicContact CB-CB 4.39Å; D252-W284 HydrophobicContact CB-CB 4.04Å |
| 253 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 174.2 | 178 | 55.5 | 0 | 0 | 0 | 111.3 | E128 I216 A220 F249 S250 D255 L256 L257 W284 | E128-L253 HydrophobicContact CG-CD2 3.91Å; E128-L253 WeakPolarHBondContact OE1-CD2 3.48Å; I216-L253 HydrophobicContact CG2-CD1 3.57Å; A220-L253 HydrophobicContact CB-CD2 3.87Å; F249-L253 HydrophobicContact CB-CD2 4.12Å; F249-L253 HydrophobicContact CD1-CD2 3.92Å; F249-L253 HydrophobicContact CD2-CD2 3.57Å; F249-L253 HydrophobicContact CD2-CG 3.87Å; F249-L253 HydrophobicContact CE1-CD2 4.21Å; F249-L253 HydrophobicContact CE2-CD2 3.88Å; F249-L253 HydrophobicContact CE2-CG 4.31Å; F249-L253 HydrophobicContact CG-CD2 3.59Å; F249-L253 HydrophobicContact CG-CG 4.24Å; F249-L253 HydrophobicContact CZ-CD2 4.17Å; S250-L253 PolarHBondContact O-N 2.61Å; S250-L253 VanDerWaalsContact OG-CB 3.27Å; S250-L253 WeakPolarHBondContact OG-CB 3.32Å; S250-L253 PolarHBondContact OG-N 3.43Å; L253-D255 VanDerWaalsContact C-N 3.27Å; L253-D255 PolarHBondContact O-N 3.13Å; L253-L256 PolarHBondContact O-N 2.9Å; L253-L257 HydrophobicContact CD1-CD1 3.75Å; L253-L257 HydrophobicContact CD1-CG 3.89Å; L253-L257 HydrophobicContact CG-CD1 3.85Å; L253-L257 HydrophobicContact CG-CG 4.4Å; L253-L257 WeakPolarHBondContact O-CB 3.45Å; L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.27Å; L253-L257 PolarHBondContact O-N 3.19Å; L253-W284 HydrophobicContact CD1-CD2 4.29Å; L253-W284 HydrophobicContact CD1-CZ2 3.89Å |
| 254 | K | 98.9 | Very high | 98.6 | Very high | 44 Ų | 44 | 54 Ų | 54 | 19% | 0.191 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -40.8 | 177.3 | -69.5 | 171.6 | -176.3 | 156.6 | 0 | 111.3 | F245 P246 S247 F249 S250 S251 R258 | F245-K254 HydrophobicContact CB-CD 4.16Å; F245-K254 HydrophobicContact CB-CG 3.93Å; F245-K254 HydrophobicContact CD1-CG 4.3Å; F245-K254 HydrophobicContact CD2-CB 4.44Å; F245-K254 HydrophobicContact CD2-CG 4.14Å; F245-K254 HydrophobicContact CG-CD 4.47Å; F245-K254 HydrophobicContact CG-CG 3.86Å; P246-K254 WeakPolarHBondContact O-CE 3.39Å; S247-K254 PolarHBondContact O-NZ 2.85Å; F249-K254 HydrophobicContact CB-CD 4.33Å; F249-K254 VanDerWaalsContact CB-CE 3.49Å; F249-K254 HydrophobicContact CB-CG 3.9Å; F249-K254 WeakPolarHBondContact O-CE 3.05Å; F249-K254 PolarHBondContact O-NZ 3.42Å; S250-K254 WeakPolarHBondContact O-CG 3.24Å; S250-K254 PolarHBondContact O-N 3.11Å; S250-K254 VanDerWaalsContact O-N 3.07Å; S251-K254 PolarHBondContact O-N 3.45Å; K254-R258 VanDerWaalsContact O-CG 3.3Å; K254-R258 WeakPolarHBondContact O-CG 3.32Å; K254-R258 PolarHBondContact O-N 3.4Å |
| 255 | D | 98.9 | Very high | 98.6 | Very high | 71 Ų | 71 | 45.6 Ų | 45.6 | 38% | 0.38 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -65.7 | -46.8 | 178.7 | -164.3 | 58.8 | 0 | 0 | 0 | 112.3 | S251 D252 L253 L257 R258 N259 H282 | S251-D255 WeakPolarHBondContact O-CB 3.32Å; S251-D255 PolarHBondContact O-N 3.12Å; D252-D255 PolarHBondContact O-N 3.33Å; L253-D255 VanDerWaalsContact C-N 3.27Å; L253-D255 PolarHBondContact O-N 3.13Å; D255-L257 VanDerWaalsContact C-N 3.34Å; D255-L257 PolarHBondContact O-N 2.87Å; D255-R258 PolarHBondContact O-N 3.5Å; D255-N259 PolarHBondContact O-N 2.87Å; D255-N259 PolarHBondContact O-ND2 3.28Å; D255-H282 IonicContact OD2-NE2 3.17Å; D255-H282 PolarHBondContact OD2-NE2 3.28Å; D255-H282 VanDerWaalsContact OD2-NE2 3.17Å |
| 256 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -57.1 | -48.8 | 174.7 | 178.8 | 61.5 | 0 | 0 | 0 | 111.3 | I216 D252 L253 R258 N259 L260 F269 I279 H282 W284 F285 | I216-L256 HydrophobicContact CD1-CD2 4.21Å; D252-L256 PolarHBondContact O-N 2.91Å; L253-L256 PolarHBondContact O-N 2.9Å; L256-R258 VanDerWaalsContact C-N 3.34Å; L256-R258 PolarHBondContact O-N 3.02Å; L256-N259 PolarHBondContact O-N 3.06Å; L256-N259 VanDerWaalsContact O-N 3.09Å; L256-L260 HydrophobicContact CD1-CD1 3.97Å; L256-L260 HydrophobicContact CD1-CG 4.2Å; L256-L260 HydrophobicContact CD2-CD1 4.43Å; L256-L260 HydrophobicContact CG-CD1 3.89Å; L256-L260 HydrophobicContact CG-CG 4.46Å; L256-L260 PolarHBondContact O-N 2.87Å; L256-F269 HydrophobicContact CD1-CD2 4.48Å; L256-I279 HydrophobicContact CD1-CG2 4.5Å; L256-H282 HydrophobicContact CD1-CB 4.22Å; L256-W284 HydrophobicContact CB-CB 4.43Å; L256-W284 HydrophobicContact CD2-CB 4.16Å; L256-W284 HydrophobicContact CD2-CD2 3.96Å; L256-W284 HydrophobicContact CD2-CE3 3.41Å; L256-W284 VanDerWaalsContact CD2-CE3 3.41Å; L256-W284 HydrophobicContact CD2-CG 4.29Å; L256-W284 HydrophobicContact CD2-CZ3 4.06Å; L256-F285 HydrophobicContact CD2-CD2 4.21Å; L256-F285 HydrophobicContact CD2-CE2 3.68Å; L256-F285 HydrophobicContact CD2-CZ 4.46Å |
| 257 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.9 | -35.7 | -177.3 | -71 | 174.3 | 0 | 0 | 0 | 112.4 | G213 I216 Y217 F245 F249 L253 D255 N259 L260 L261 | G213-L257 WeakPolarHBondContact O-CD2 3.4Å; I216-L257 HydrophobicContact CB-CD2 4Å; I216-L257 HydrophobicContact CG2-CD2 3.92Å; Y217-L257 HydrophobicContact CD2-CD1 4.04Å; F245-L257 HydrophobicContact CD1-CD1 4.13Å; F245-L257 HydrophobicContact CE1-CB 3.66Å; F245-L257 HydrophobicContact CE1-CD1 3.8Å; F245-L257 HydrophobicContact CE1-CG 4.41Å; F245-L257 HydrophobicContact CZ-CB 4.1Å; F249-L257 HydrophobicContact CD2-CD1 3.91Å; F249-L257 HydrophobicContact CE2-CD1 3.58Å; L253-L257 HydrophobicContact CD1-CD1 3.75Å; L253-L257 HydrophobicContact CD1-CG 3.89Å; L253-L257 HydrophobicContact CG-CD1 3.85Å; L253-L257 HydrophobicContact CG-CG 4.4Å; L253-L257 WeakPolarHBondContact O-CB 3.45Å; L253-L257 VanDerWaalsContact O-CG 3.28Å; L253-L257 WeakPolarHBondContact O-CG 3.27Å; L253-L257 PolarHBondContact O-N 3.19Å; D255-L257 VanDerWaalsContact C-N 3.34Å; D255-L257 PolarHBondContact O-N 2.87Å; L257-N259 VanDerWaalsContact C-N 3.26Å; L257-N259 PolarHBondContact O-N 2.72Å; L257-L260 PolarHBondContact O-N 3.41Å; L257-L261 WeakPolarHBondContact O-CA 3.12Å; L257-L261 WeakPolarHBondContact O-CB 3.18Å; L257-L261 WeakPolarHBondContact O-CG 3.31Å; L257-L261 PolarHBondContact O-N 3.06Å |
| 258 | R | 98.8 | Very high | 98.6 | Very high | 128 Ų | 128 | 47.1 Ų | 47.1 | 48% | 0.483 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.7 | -34 | 173.1 | -74.5 | -179.5 | -160.9 | 110.8 | -2.2 | 112.6 | F245 K254 D255 L256 | F245-R258 HydrophobicContact CE2-CG 3.98Å; F245-R258 HydrophobicContact CZ-CG 4Å; K254-R258 VanDerWaalsContact O-CG 3.3Å; K254-R258 WeakPolarHBondContact O-CG 3.32Å; K254-R258 PolarHBondContact O-N 3.4Å; D255-R258 PolarHBondContact O-N 3.5Å; L256-R258 VanDerWaalsContact C-N 3.34Å; L256-R258 PolarHBondContact O-N 3.02Å |
| 259 | N | 98.8 | Very high | 98.6 | Very high | 39 Ų | 39 | 44.4 Ų | 44.4 | 21% | 0.209 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -81.2 | -29.1 | 180 | -75.9 | -71.5 | 0 | 0 | 0 | 113.3 | D255 L256 L257 R268 F269 | D255-N259 PolarHBondContact O-N 2.87Å; D255-N259 PolarHBondContact O-ND2 3.28Å; L256-N259 PolarHBondContact O-N 3.06Å; L256-N259 VanDerWaalsContact O-N 3.09Å; L257-N259 VanDerWaalsContact C-N 3.26Å; L257-N259 PolarHBondContact O-N 2.72Å; N259-R268 WeakPolarHBondContact O-CA 3.34Å; N259-F269 HydrophobicContact CB-CB 4.28Å; N259-F269 HydrophobicContact CB-CD1 3.59Å; N259-F269 HydrophobicContact CB-CD2 3.76Å; N259-F269 HydrophobicContact CB-CE1 3.72Å; N259-F269 HydrophobicContact CB-CE2 3.89Å; N259-F269 HydrophobicContact CB-CG 3.6Å; N259-F269 HydrophobicContact CB-CZ 3.87Å; N259-F269 PolarHBondContact O-N 2.87Å; N259-F269 VanDerWaalsContact OD1-CE1 3.29Å; N259-F269 WeakPolarHBondContact OD1-CE1 3.22Å |
| 260 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -82.1 | -44.7 | 173.5 | -68.8 | 173.4 | 0 | 0 | 0 | 112.5 | W209 L212 I216 L256 L257 Q262 R268 F269 I279 | W209-L260 HydrophobicContact CB-CD2 4.37Å; L212-L260 HydrophobicContact CD2-CD1 4.39Å; L212-L260 HydrophobicContact CG-CD1 4.34Å; I216-L260 HydrophobicContact CD1-CD1 4.03Å; L256-L260 HydrophobicContact CD1-CD1 3.97Å; L256-L260 HydrophobicContact CD1-CG 4.2Å; L256-L260 HydrophobicContact CD2-CD1 4.43Å; L256-L260 HydrophobicContact CG-CD1 3.89Å; L256-L260 HydrophobicContact CG-CG 4.46Å; L256-L260 PolarHBondContact O-N 2.87Å; L257-L260 PolarHBondContact O-N 3.41Å; L260-Q262 PolarHBondContact O-N 3.37Å; L260-R268 WeakPolarHBondContact O-CD 3.3Å; L260-R268 VanDerWaalsContact O-CG 3.24Å; L260-R268 WeakPolarHBondContact O-CG 3.46Å; L260-R268 PolarHBondContact O-NE 3.4Å; L260-F269 HydrophobicContact CD2-CB 4.03Å; L260-I279 HydrophobicContact CD2-CD1 3.83Å; L260-I279 HydrophobicContact CD2-CG1 4.15Å |
| 261 | L | 98.8 | Very high | 98.5 | Very high | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.042 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -83.9 | 35.5 | 176.5 | -57.9 | 177.3 | 0 | 0 | 0 | 111.9 | W210 V214 P225 F226 V243 L257 | W210-L261 HydrophobicContact CD2-CD2 4.08Å; W210-L261 HydrophobicContact CE3-CD2 4.34Å; W210-L261 HydrophobicContact CH2-CB 4.46Å; W210-L261 HydrophobicContact CZ2-CD2 4.29Å; W210-L261 HydrophobicContact CZ3-CB 4.26Å; W210-L261 WeakPolarHBondContact CZ3-O 3.29Å; V214-L261 HydrophobicContact CG2-CD2 3.74Å; P225-L261 HydrophobicContact CB-CD1 4.29Å; P225-L261 HydrophobicContact CG-CD1 4.12Å; F226-L261 HydrophobicContact CE2-CD2 4.4Å; V243-L261 HydrophobicContact CG1-CD1 4.29Å; V243-L261 HydrophobicContact CG2-CB 4.32Å; V243-L261 HydrophobicContact CG2-CD1 3.93Å; L257-L261 WeakPolarHBondContact O-CA 3.12Å; L257-L261 WeakPolarHBondContact O-CB 3.18Å; L257-L261 WeakPolarHBondContact O-CG 3.31Å; L257-L261 PolarHBondContact O-N 3.06Å |
| 262 | Q | 98.7 | Very high | 98.5 | Very high | 60 Ų | 60 | 42.8 Ų | 42.8 | 28% | 0.28 | 21% | 0.213 | S | C | . | . | trans | -83 | 118.9 | 176.3 | 175.7 | 54.4 | -95.7 | 0 | 0 | 109.6 | L260 D264 K267 R268 | L260-Q262 PolarHBondContact O-N 3.37Å; Q262-D264 VanDerWaalsContact C-N 3.34Å; Q262-D264 HydrophobicContact CG-CB 4.45Å; Q262-D264 WeakPolarHBondContact CG-O 3.27Å; Q262-D264 PolarHBondContact O-N 2.8Å; Q262-K267 HydrophobicContact CG-CB 3.71Å; Q262-R268 HydrophobicContact CB-CB 4.18Å; Q262-R268 HydrophobicContact CB-CG 4.34Å; Q262-R268 VanDerWaalsContact O-CZ 3.29Å; Q262-R268 PolarHBondContact O-NE 3.42Å; Q262-R268 PolarHBondContact O-NH2 2.91Å | ||
| 263 | V | 98.4 | Very high | 98.4 | Very high | 47 Ų | 47 | 50.1 Ų | 50.1 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | S | Bend | trans | -65 | -39.8 | -178.3 | 175.5 | 0 | 0 | 0 | 0 | 111.4 | P195 W210 L265 | P195-V263 HydrophobicContact CB-CG1 4.04Å; P195-V263 HydrophobicContact CG-CB 4.36Å; P195-V263 HydrophobicContact CG-CG1 4.07Å; P195-V263 HydrophobicContact CG-CG2 4.15Å; W210-V263 HydrophobicContact CH2-CG2 4.3Å; W210-V263 HydrophobicContact CZ3-CG2 4.29Å; V263-L265 PolarHBondContact O-N 2.94Å; V263-L265 VanDerWaalsContact O-N 3.08Å |
| 264 | D | 98.1 | Very high | 98.2 | Very high | 58 Ų | 58 | 54.9 Ų | 54.9 | 31% | 0.31 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -74.4 | 97.6 | 173.3 | -177.4 | -5.8 | 0 | 0 | 0 | 109.9 | Q262 T266 K267 R268 | Q262-D264 VanDerWaalsContact C-N 3.34Å; Q262-D264 HydrophobicContact CG-CB 4.45Å; Q262-D264 WeakPolarHBondContact CG-O 3.27Å; Q262-D264 PolarHBondContact O-N 2.8Å; D264-T266 VanDerWaalsContact CG-OG1 3.29Å; D264-T266 PolarHBondContact O-N 2.93Å; D264-T266 WeakPolarHBondContact OD1-CB 3.49Å; D264-T266 PolarHBondContact OD1-N 2.86Å; D264-T266 VanDerWaalsContact OD1-N 3.11Å; D264-T266 PolarHBondContact OD1-OG1 2.85Å; D264-T266 PolarHBondContact OD2-OG1 2.97Å; D264-K267 HydrophobicContact CB-CB 4.47Å; D264-K267 HydrophobicContact CB-CD 4.24Å; D264-K267 HydrophobicContact CB-CG 4.48Å; D264-K267 PolarHBondContact O-N 3.42Å; D264-K267 WeakPolarHBondContact OD2-CD 3.35Å; D264-K267 WeakPolarHBondContact OD2-CE 3.49Å; D264-K267 IonicContact OD2-NZ 2.7Å; D264-K267 PolarHBondContact OD2-NZ 3.09Å; D264-R268 PolarHBondContact O-N 3.26Å |
| 265 | L | 96.6 | Very high | 98.2 | Very high | 47 Ų | 47 | 53.7 Ų | 53.7 | 25% | 0.246 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -54.9 | -22 | -178 | 69.6 | 86.4 | 0 | 0 | 0 | 113.8 | E196 A206 V263 K267 R268 N271 | E196-L265 HydrophobicContact CB-CD2 4.14Å; E196-L265 HydrophobicContact CG-CD2 4.13Å; A206-L265 HydrophobicContact CB-CB 4.43Å; V263-L265 PolarHBondContact O-N 2.94Å; V263-L265 VanDerWaalsContact O-N 3.08Å; L265-K267 PolarHBondContact O-N 3.17Å; L265-R268 PolarHBondContact O-N 2.92Å; L265-N271 PolarHBondContact O-ND2 2.81Å |
| 266 | T | 97.4 | Very high | 98.1 | Very high | 89 Ų | 89 | 51.5 Ų | 51.5 | 55% | 0.546 | 26% | 0.257 | S | S | . | . | G | 310 helix | trans | -73.8 | -14.3 | 177.4 | 72.5 | 0 | 0 | 0 | 0 | 113.1 | D264 L272 | D264-T266 VanDerWaalsContact CG-OG1 3.29Å; D264-T266 PolarHBondContact O-N 2.93Å; D264-T266 WeakPolarHBondContact OD1-CB 3.49Å; D264-T266 PolarHBondContact OD1-N 2.86Å; D264-T266 VanDerWaalsContact OD1-N 3.11Å; D264-T266 PolarHBondContact OD1-OG1 2.85Å; D264-T266 PolarHBondContact OD2-OG1 2.97Å; T266-L272 WeakPolarHBondContact O-CD2 3.48Å |
| 267 | K | 98.5 | Very high | 98.1 | Very high | 121 Ų | 121 | 52.5 Ų | 52.5 | 53% | 0.526 | 26% | 0.264 | S | S | . | . | G | 310 helix | trans | -110.9 | -1.3 | 178 | -64.2 | 175.7 | -172.5 | 158.2 | 0 | 112.7 | Q262 D264 L265 | Q262-K267 HydrophobicContact CG-CB 3.71Å; D264-K267 HydrophobicContact CB-CB 4.47Å; D264-K267 HydrophobicContact CB-CD 4.24Å; D264-K267 HydrophobicContact CB-CG 4.48Å; D264-K267 PolarHBondContact O-N 3.42Å; D264-K267 WeakPolarHBondContact OD2-CD 3.35Å; D264-K267 WeakPolarHBondContact OD2-CE 3.49Å; D264-K267 IonicContact OD2-NZ 2.7Å; D264-K267 PolarHBondContact OD2-NZ 3.09Å; L265-K267 PolarHBondContact O-N 3.17Å |
| 268 | R | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 27% | 0.27 | C | S | . | . | S | Bend | trans | -77.8 | 132.6 | -176.6 | -166.7 | 179.7 | -60.4 | 150.5 | 4 | 111.1 | E196 A206 N259 L260 Q262 D264 L265 N271 | E196-R268 IonicContact OE1-CZ 3.25Å; E196-R268 IonicContact OE1-NH1 3.75Å; E196-R268 PolarHBondContact OE1-NH1 2.91Å; E196-R268 IonicContact OE1-NH2 3.79Å; E196-R268 IonicContact OE2-CZ 2.67Å; E196-R268 IonicContact OE2-NH1 2.56Å; E196-R268 IonicContact OE2-NH2 2.81Å; E196-R268 PolarHBondContact OE2-NH2 3.35Å; A206-R268 PolarHBondContact O-NH1 3.47Å; N259-R268 WeakPolarHBondContact O-CA 3.34Å; L260-R268 WeakPolarHBondContact O-CD 3.3Å; L260-R268 VanDerWaalsContact O-CG 3.24Å; L260-R268 WeakPolarHBondContact O-CG 3.46Å; L260-R268 PolarHBondContact O-NE 3.4Å; Q262-R268 HydrophobicContact CB-CB 4.18Å; Q262-R268 HydrophobicContact CB-CG 4.34Å; Q262-R268 VanDerWaalsContact O-CZ 3.29Å; Q262-R268 PolarHBondContact O-NE 3.42Å; Q262-R268 PolarHBondContact O-NH2 2.91Å; D264-R268 PolarHBondContact O-N 3.26Å; L265-R268 PolarHBondContact O-N 2.92Å; R268-N271 PolarHBondContact O-N 3.25Å; R268-N271 VanDerWaalsContact O-N 3.11Å |
| 269 | F | 98.8 | Very high | 98.1 | Very high | 30 Ų | 30 | 47.5 Ų | 47.5 | 13% | 0.132 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 145.4 | 173.3 | -87.2 | 22.7 | 0 | 0 | 0 | 111.4 | W209 L256 N259 L260 N271 L272 D278 I279 H282 | W209-F269 WeakPolarHBondContact CB-O 3.38Å; L256-F269 HydrophobicContact CD1-CD2 4.48Å; N259-F269 HydrophobicContact CB-CB 4.28Å; N259-F269 HydrophobicContact CB-CD1 3.59Å; N259-F269 HydrophobicContact CB-CD2 3.76Å; N259-F269 HydrophobicContact CB-CE1 3.72Å; N259-F269 HydrophobicContact CB-CE2 3.89Å; N259-F269 HydrophobicContact CB-CG 3.6Å; N259-F269 HydrophobicContact CB-CZ 3.87Å; N259-F269 PolarHBondContact O-N 2.87Å; N259-F269 VanDerWaalsContact OD1-CE1 3.29Å; N259-F269 WeakPolarHBondContact OD1-CE1 3.22Å; L260-F269 HydrophobicContact CD2-CB 4.03Å; F269-N271 PolarHBondContact O-N 3.25Å; F269-L272 HydrophobicContact CD1-CD1 3.85Å; F269-L272 HydrophobicContact CE1-CD1 4.06Å; F269-D278 HydrophobicContact CD1-CB 4.18Å; F269-D278 HydrophobicContact CD2-CB 3.99Å; F269-D278 HydrophobicContact CE1-CB 4.33Å; F269-D278 HydrophobicContact CE2-CB 4.14Å; F269-D278 WeakPolarHBondContact CE2-O 3.49Å; F269-D278 HydrophobicContact CG-CB 4.01Å; F269-D278 HydrophobicContact CZ-CB 4.32Å; F269-I279 HydrophobicContact CB-CD1 4.46Å; F269-I279 HydrophobicContact CB-CG1 3.87Å; F269-I279 HydrophobicContact CD2-CG1 4.31Å; F269-H282 AromaticContact CE2-CD2 3.95Å |
| 270 | G | 98.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 46.8 Ų | 46.8 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.5 | -17.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | W209 G275 | W209-G270 PolarHBondContact NE1-O 3.45Å; G270-G275 WeakPolarHBondContact CA-O 3.48Å; G270-G275 PolarHBondContact N-O 2.99Å |
| 271 | N | 98 | Very high | 98.1 | Very high | 38 Ų | 38 | 51.8 Ų | 51.8 | 20% | 0.203 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -117.5 | 4.2 | 179.2 | -163.2 | 52.9 | 0 | 0 | 0 | 114 | N204 A206 L265 R268 F269 | N204-N271 PolarHBondContact ND2-OD1 3.28Å; A206-N271 HydrophobicContact CB-CB 3.87Å; L265-N271 PolarHBondContact O-ND2 2.81Å; R268-N271 PolarHBondContact O-N 3.25Å; R268-N271 VanDerWaalsContact O-N 3.11Å; F269-N271 PolarHBondContact O-N 3.25Å |
| 272 | L | 97.6 | Very high | 98.1 | Very high | 59 Ų | 59 | 52.2 Ų | 52.2 | 31% | 0.309 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -82.9 | -179 | 174 | -52.6 | -176.5 | 0 | 0 | 0 | 111.5 | T266 F269 N274 G275 D278 | T266-L272 WeakPolarHBondContact O-CD2 3.48Å; F269-L272 HydrophobicContact CD1-CD1 3.85Å; F269-L272 HydrophobicContact CE1-CD1 4.06Å; L272-N274 VanDerWaalsContact C-N 3.27Å; L272-N274 PolarHBondContact O-N 3.48Å; L272-G275 PolarHBondContact O-N 3.19Å; L272-D278 WeakPolarHBondContact CB-OD2 3.27Å |
| 273 | K | 96.8 | Very high | 98.1 | Very high | 210 Ų | 210 | 56.6 Ų | 56.6 | 91% | 0.913 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -38.2 | 178.7 | -172.8 | -179.7 | 178.4 | -176.6 | 0 | 113.4 | G275 | K273-G275 VanDerWaalsContact C-N 3.3Š|
| 274 | N | 96.1 | Very high | 98.1 | Very high | 101 Ų | 101 | 54.5 Ų | 54.5 | 54% | 0.54 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | -2.9 | 179.5 | -49.5 | -36.6 | 0 | 0 | 0 | 112.8 | L272 V276 S277 D278 | L272-N274 VanDerWaalsContact C-N 3.27Å; L272-N274 PolarHBondContact O-N 3.48Å; N274-V276 PolarHBondContact O-N 3.41Å; N274-S277 WeakPolarHBondContact O-CB 3.48Å; N274-S277 PolarHBondContact O-N 2.81Å; N274-S277 VanDerWaalsContact O-N 3.08Å; N274-D278 WeakPolarHBondContact CB-OD1 3.43Å; N274-D278 PolarHBondContact ND2-OD1 3.3Å |
| 275 | G | 97.6 | Very high | 98.1 | Very high | 19 Ų | 19 | 51.9 Ų | 51.9 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | -129.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | G270 L272 K273 S277 D278 | G270-G275 WeakPolarHBondContact CA-O 3.48Å; G270-G275 PolarHBondContact N-O 2.99Å; L272-G275 PolarHBondContact O-N 3.19Å; K273-G275 VanDerWaalsContact C-N 3.3Å; G275-S277 PolarHBondContact O-N 2.89Å; G275-D278 PolarHBondContact O-N 3.17Å |
| 276 | V | 98.1 | Very high | 98.2 | Very high | 25 Ų | 25 | 53.7 Ų | 53.7 | 15% | 0.152 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -20.4 | 179.8 | 67.3 | 0 | 0 | 0 | 0 | 113.3 | V139 E143 W209 N274 D278 I279 K280 | V139-V276 HydrophobicContact CG1-CG2 3.71Å; E143-V276 HydrophobicContact CB-CG1 4.48Å; E143-V276 HydrophobicContact CB-CG2 4.3Å; E143-V276 HydrophobicContact CG-CG1 4Å; W209-V276 HydrophobicContact CH2-CB 4.23Å; W209-V276 HydrophobicContact CH2-CG2 3.6Å; W209-V276 HydrophobicContact CZ2-CB 4.13Å; W209-V276 HydrophobicContact CZ2-CG2 4.01Å; W209-V276 HydrophobicContact CZ3-CG2 4.44Å; N274-V276 PolarHBondContact O-N 3.41Å; V276-D278 VanDerWaalsContact C-N 3.26Å; V276-D278 PolarHBondContact O-N 3.07Å; V276-I279 WeakPolarHBondContact O-CB 3.48Å; V276-I279 PolarHBondContact O-N 3.39Å; V276-K280 HydrophobicContact CG1-CD 4.37Å; V276-K280 HydrophobicContact CG2-CD 3.93Å; V276-K280 HydrophobicContact CG2-CG 4.13Å; V276-K280 PolarHBondContact O-N 2.69Å |
| 277 | S | 98.3 | Very high | 98.3 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 15% | 0.147 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61 | -37.1 | -180 | -166.3 | 0 | 0 | 0 | 0 | 111.8 | N274 G275 I279 K280 T281 | N274-S277 WeakPolarHBondContact O-CB 3.48Å; N274-S277 PolarHBondContact O-N 2.81Å; N274-S277 VanDerWaalsContact O-N 3.08Å; G275-S277 PolarHBondContact O-N 2.89Å; S277-I279 PolarHBondContact O-N 2.51Å; S277-I279 VanDerWaalsContact O-N 3.17Å; S277-K280 PolarHBondContact O-N 3.32Å; S277-K280 VanDerWaalsContact O-N 3.13Å; S277-T281 PolarHBondContact O-N 3.35Å; S277-T281 PolarHBondContact O-OG1 3.19Å |
| 278 | D | 98.4 | Very high | 98.3 | Very high | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.123 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.4 | -29.4 | 178.3 | -65.4 | -40.5 | 0 | 0 | 0 | 112 | F269 L272 N274 G275 V276 | F269-D278 HydrophobicContact CD1-CB 4.18Å; F269-D278 HydrophobicContact CD2-CB 3.99Å; F269-D278 HydrophobicContact CE1-CB 4.33Å; F269-D278 HydrophobicContact CE2-CB 4.14Å; F269-D278 WeakPolarHBondContact CE2-O 3.49Å; F269-D278 HydrophobicContact CG-CB 4.01Å; F269-D278 HydrophobicContact CZ-CB 4.32Å; L272-D278 WeakPolarHBondContact CB-OD2 3.27Å; N274-D278 WeakPolarHBondContact CB-OD1 3.43Å; N274-D278 PolarHBondContact ND2-OD1 3.3Å; G275-D278 PolarHBondContact O-N 3.17Å; V276-D278 VanDerWaalsContact C-N 3.26Å; V276-D278 PolarHBondContact O-N 3.07Å |
| 279 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -79.9 | -49.9 | 174.7 | -56 | 170.7 | 0 | 0 | 0 | 109.9 | V139 W209 L256 L260 F269 V276 S277 T281 H282 F285 | V139-I279 HydrophobicContact CG1-CG2 4.46Å; V139-I279 HydrophobicContact CG2-CG2 3.84Å; W209-I279 HydrophobicContact CD2-CD1 3.73Å; W209-I279 HydrophobicContact CE3-CD1 3.29Å; W209-I279 HydrophobicContact CG-CD1 4.41Å; W209-I279 HydrophobicContact CH2-CD1 4.17Å; W209-I279 HydrophobicContact CZ3-CD1 3.55Å; L256-I279 HydrophobicContact CD1-CG2 4.5Å; L260-I279 HydrophobicContact CD2-CD1 3.83Å; L260-I279 HydrophobicContact CD2-CG1 4.15Å; F269-I279 HydrophobicContact CB-CD1 4.46Å; F269-I279 HydrophobicContact CB-CG1 3.87Å; F269-I279 HydrophobicContact CD2-CG1 4.31Å; V276-I279 WeakPolarHBondContact O-CB 3.48Å; V276-I279 PolarHBondContact O-N 3.39Å; S277-I279 PolarHBondContact O-N 2.51Å; S277-I279 VanDerWaalsContact O-N 3.17Å; I279-T281 VanDerWaalsContact C-N 3.27Å; I279-T281 PolarHBondContact O-N 2.93Å; I279-H282 VanDerWaalsContact O-CB 3.27Å; I279-H282 WeakPolarHBondContact O-CB 3.39Å; I279-H282 PolarHBondContact O-N 3.17Å; I279-H282 VanDerWaalsContact O-N 3.13Å; I279-F285 HydrophobicContact CG2-CD2 4.21Å; I279-F285 HydrophobicContact CG2-CE2 3.73Å; I279-F285 VanDerWaalsContact O-CD2 3.32Å; I279-F285 WeakPolarHBondContact O-CD2 3.44Å |
| 280 | K | 98.8 | Very high | 98.2 | Very high | 24 Ų | 24 | 54.5 Ų | 54.5 | 10% | 0.104 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.1 | -28.8 | -173.8 | -69.4 | 174.1 | 73.6 | 166.7 | 0 | 113.8 | V139 E143 V276 S277 W290 | V139-K280 HydrophobicContact CG1-CD 4.25Å; V139-K280 HydrophobicContact CG1-CG 3.77Å; E143-K280 IonicContact OE1-NZ 2.76Å; E143-K280 PolarHBondContact OE1-NZ 3.28Å; E143-K280 IonicContact OE2-NZ 3.63Å; E143-K280 PolarHBondContact OE2-NZ 3.09Å; V276-K280 HydrophobicContact CG1-CD 4.37Å; V276-K280 HydrophobicContact CG2-CD 3.93Å; V276-K280 HydrophobicContact CG2-CG 4.13Å; V276-K280 PolarHBondContact O-N 2.69Å; S277-K280 PolarHBondContact O-N 3.32Å; S277-K280 VanDerWaalsContact O-N 3.13Å; K280-W290 VanDerWaalsContact CA-CZ2 3.48Å; K280-W290 HydrophobicContact CB-CD2 4.47Å; K280-W290 HydrophobicContact CB-CH2 4.43Å; K280-W290 HydrophobicContact CB-CZ2 3.77Å; K280-W290 HydrophobicContact CD-CD2 4.47Å; K280-W290 HydrophobicContact CG-CD2 4.14Å; K280-W290 HydrophobicContact CG-CE3 4.29Å; K280-W290 HydrophobicContact CG-CH2 3.85Å; K280-W290 HydrophobicContact CG-CZ2 3.68Å; K280-W290 HydrophobicContact CG-CZ3 4.13Å; K280-W290 PolarHBondContact O-NE1 3.18Å |
| 281 | T | 98.4 | Very high | 98.2 | Very high | 105 Ų | 105 | 57.8 Ų | 57.8 | 64% | 0.644 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.6 | 1.7 | 178.5 | 63.2 | 0 | 0 | 0 | 0 | 113.3 | S277 I279 | S277-T281 PolarHBondContact O-N 3.35Å; S277-T281 PolarHBondContact O-OG1 3.19Å; I279-T281 VanDerWaalsContact C-N 3.27Å; I279-T281 PolarHBondContact O-N 2.93Å |
| 282 | H | 98.9 | Very high | 98.2 | Very high | 17 Ų | 17 | 56.7 Ų | 56.7 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -64.1 | 144.4 | 177.5 | -173 | -89 | 0 | 0 | 0 | 110.9 | D252 D255 L256 F269 I279 W284 F285 A286 | D252-H282 PolarHBondContact O-CE1 3.04Å; D255-H282 IonicContact OD2-NE2 3.17Å; D255-H282 PolarHBondContact OD2-NE2 3.28Å; D255-H282 VanDerWaalsContact OD2-NE2 3.17Å; L256-H282 HydrophobicContact CD1-CB 4.22Å; F269-H282 AromaticContact CE2-CD2 3.95Å; I279-H282 VanDerWaalsContact O-CB 3.27Å; I279-H282 WeakPolarHBondContact O-CB 3.39Å; I279-H282 PolarHBondContact O-N 3.17Å; I279-H282 VanDerWaalsContact O-N 3.13Å; H282-W284 WeakPolarHBondContact ND1-CB 3.37Å; H282-W284 PolarHBondContact ND1-N 3.31Å; H282-W284 PolarHBondContact O-N 3.29Å; H282-W284 VanDerWaalsContact O-N 3.12Å; H282-F285 WeakPolarHBondContact O-CA 3.48Å; H282-F285 PolarHBondContact O-N 2.96Å; H282-A286 PolarHBondContact O-N 3.47Å |
| 283 | K | 98.8 | Very high | 98.2 | Very high | 152 Ų | 152 | 54.1 Ų | 54.1 | 66% | 0.661 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -54.6 | -36.3 | -176.4 | -69.4 | -176.4 | -180 | 178.3 | 0 | 113.6 | D252 F285 A286 | D252-K283 HydrophobicContact CB-CB 4.39Å; K283-F285 PolarHBondContact O-N 3.18Å; K283-A286 WeakPolarHBondContact O-CB 3.42Å; K283-A286 PolarHBondContact O-N 3.09Å |
| 284 | W | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 1% | 0.011 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -59.5 | -26.9 | 176 | -166.3 | 73.2 | 0 | 0 | 0 | 113.4 | E128 A131 R132 A135 I216 D252 L253 L256 H282 | E128-W284 HydrophobicContact CB-CZ2 4.28Å; E128-W284 PolarHBondContact OE2-NE1 2.96Å; A131-W284 HydrophobicContact CB-CH2 4.46Å; R132-W284 HydrophobicContact CB-CE3 4.43Å; R132-W284 HydrophobicContact CB-CH2 3.57Å; R132-W284 HydrophobicContact CB-CZ2 3.92Å; R132-W284 HydrophobicContact CB-CZ3 3.84Å; R132-W284 WeakPolarHBondContact CD-O 3.41Å; R132-W284 HydrophobicContact CG-CE3 4.16Å; R132-W284 HydrophobicContact CG-CH2 4.17Å; R132-W284 HydrophobicContact CG-CZ3 3.91Å; R132-W284 PolarHBondContact NE-O 2.96Å; R132-W284 PolarHBondContact NH2-O 3.07Å; A135-W284 HydrophobicContact CB-CH2 4.45Å; A135-W284 HydrophobicContact CB-CZ3 4.15Å; I216-W284 HydrophobicContact CD1-CZ3 4.3Å; I216-W284 HydrophobicContact CG2-CH2 3.88Å; I216-W284 HydrophobicContact CG2-CZ2 4.38Å; I216-W284 HydrophobicContact CG2-CZ3 4.27Å; D252-W284 HydrophobicContact CB-CB 4.04Å; L253-W284 HydrophobicContact CD1-CD2 4.29Å; L253-W284 HydrophobicContact CD1-CZ2 3.89Å; L256-W284 HydrophobicContact CB-CB 4.43Å; L256-W284 HydrophobicContact CD2-CB 4.16Å; L256-W284 HydrophobicContact CD2-CD2 3.96Å; L256-W284 HydrophobicContact CD2-CE3 3.41Å; L256-W284 VanDerWaalsContact CD2-CE3 3.41Å; L256-W284 HydrophobicContact CD2-CG 4.29Å; L256-W284 HydrophobicContact CD2-CZ3 4.06Å; H282-W284 WeakPolarHBondContact ND1-CB 3.37Å; H282-W284 PolarHBondContact ND1-N 3.31Å; H282-W284 PolarHBondContact O-N 3.29Å; H282-W284 VanDerWaalsContact O-N 3.12Å |
| 285 | F | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -99.3 | 11.1 | 174.7 | -73.8 | -72.2 | 0 | 0 | 0 | 113.5 | R132 A135 A136 V139 L256 I279 H282 K283 T287 T288 W290 | R132-F285 HydrophobicContact CG-CD1 3.65Å; R132-F285 HydrophobicContact CG-CE1 3.78Å; A135-F285 HydrophobicContact CB-CE1 4.14Å; A135-F285 HydrophobicContact CB-CZ 3.91Å; A136-F285 HydrophobicContact CB-CE1 4.22Å; V139-F285 HydrophobicContact CG2-CZ 4.29Å; L256-F285 HydrophobicContact CD2-CD2 4.21Å; L256-F285 HydrophobicContact CD2-CE2 3.68Å; L256-F285 HydrophobicContact CD2-CZ 4.46Å; I279-F285 HydrophobicContact CG2-CD2 4.21Å; I279-F285 HydrophobicContact CG2-CE2 3.73Å; I279-F285 VanDerWaalsContact O-CD2 3.32Å; I279-F285 WeakPolarHBondContact O-CD2 3.44Å; H282-F285 WeakPolarHBondContact O-CA 3.48Å; H282-F285 PolarHBondContact O-N 2.96Å; K283-F285 PolarHBondContact O-N 3.18Å; F285-T287 PolarHBondContact O-N 2.91Å; F285-T288 HydrophobicContact CD1-CG2 4.49Å; F285-T288 VanDerWaalsContact O-CB 3.28Å; F285-T288 WeakPolarHBondContact O-CB 3.13Å; F285-T288 PolarHBondContact O-N 2.7Å; F285-W290 HydrophobicContact CB-CZ2 3.82Å; F285-W290 AromaticContact CD1-CH2 3.82Å; F285-W290 HydrophobicContact CD1-CH2 3.82Å; F285-W290 AromaticContact CD1-CZ2 3.85Å; F285-W290 HydrophobicContact CD1-CZ2 3.85Å; F285-W290 HydrophobicContact CD2-CZ2 4.4Å; F285-W290 HydrophobicContact CE1-CH2 4.02Å; F285-W290 HydrophobicContact CE1-CZ2 4.5Å; F285-W290 HydrophobicContact CG-CH2 4.09Å; F285-W290 AromaticContact CG-CZ2 3.79Å; F285-W290 HydrophobicContact CG-CZ2 3.79Å; F285-W290 HydrophobicContact CZ-CH2 4.44Å |
| 286 | A | 98.4 | Very high | 98.3 | Very high | 84 Ų | 84 | 47.4 Ų | 47.4 | 69% | 0.694 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -27.4 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | H282 K283 | H282-A286 PolarHBondContact O-N 3.47Å; K283-A286 WeakPolarHBondContact O-CB 3.42Å; K283-A286 PolarHBondContact O-N 3.09Å |
| 287 | T | 98.2 | Very high | 98.3 | Very high | 111 Ų | 111 | 53.3 Ų | 53.3 | 68% | 0.681 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 4.6 | 178.3 | 70.4 | 0 | 0 | 0 | 0 | 113.5 | R132 F285 | R132-T287 PolarHBondContact NH1-OG1 3.44Å; F285-T287 PolarHBondContact O-N 2.91Å |
| 288 | T | 98.6 | Very high | 98.3 | Very high | 21 Ų | 21 | 54.7 Ų | 54.7 | 13% | 0.129 | 29% | 0.287 | C | S | . | . | trans | -91.1 | 113.5 | -174.9 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | R132 A136 F285 W290 I293 | R132-T288 WeakPolarHBondContact CD-OG1 3.34Å; A136-T288 HydrophobicContact CB-CG2 3.74Å; F285-T288 HydrophobicContact CD1-CG2 4.49Å; F285-T288 VanDerWaalsContact O-CB 3.28Å; F285-T288 WeakPolarHBondContact O-CB 3.13Å; F285-T288 PolarHBondContact O-N 2.7Å; T288-W290 HydrophobicContact CG2-CD2 3.88Å; T288-W290 HydrophobicContact CG2-CE3 4.13Å; T288-W290 HydrophobicContact CG2-CG 4.34Å; T288-W290 HydrophobicContact CG2-CH2 4.28Å; T288-W290 HydrophobicContact CG2-CZ2 4Å; T288-W290 HydrophobicContact CG2-CZ3 4.35Å; T288-W290 PolarHBondContact O-N 3.17Å; T288-I293 HydrophobicContact CG2-CG1 4.28Å | ||
| 289 | D | 98.1 | Very high | 98.3 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | trans | -81 | 96.6 | 165 | -174.8 | -21.5 | 0 | 0 | 0 | 109.8 | I291 A292 I293 | D289-I291 VanDerWaalsContact C-N 3.25Å; D289-I291 PolarHBondContact O-N 3.38Å; D289-I291 PolarHBondContact OD1-N 3.48Å; D289-A292 HydrophobicContact CB-CB 3.84Å; D289-A292 VanDerWaalsContact CG-CB 3.44Å; D289-A292 PolarHBondContact O-N 2.98Å; D289-A292 PolarHBondContact OD1-N 3.19Å; D289-I293 VanDerWaalsContact O-CG1 3.3Å; D289-I293 WeakPolarHBondContact O-CG1 3.4Å; D289-I293 PolarHBondContact O-N 3.35Å | ||
| 290 | W | 98.3 | Very high | 98.3 | Very high | 33 Ų | 33 | 62.6 Ų | 62.6 | 13% | 0.125 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -59 | -32.9 | -179.1 | -63.3 | 98.9 | 0 | 0 | 0 | 113.8 | L4 A136 V139 L140 K280 F285 T288 Y294 | L4-W290 HydrophobicContact CD1-CB 4.42Å; A136-W290 HydrophobicContact CB-CE3 4.4Å; A136-W290 HydrophobicContact CB-CH2 4.16Å; A136-W290 HydrophobicContact CB-CZ3 3.8Å; A136-W290 WeakPolarHBondContact O-CZ3 3.16Å; V139-W290 HydrophobicContact CB-CH2 4.04Å; V139-W290 HydrophobicContact CB-CZ3 3.84Å; V139-W290 HydrophobicContact CG1-CH2 3.79Å; V139-W290 HydrophobicContact CG1-CZ3 3.68Å; V139-W290 HydrophobicContact CG2-CH2 4.37Å; L140-W290 HydrophobicContact CD1-CE3 4.25Å; L140-W290 HydrophobicContact CD2-CE3 3.93Å; L140-W290 HydrophobicContact CG-CE3 3.88Å; L140-W290 HydrophobicContact CG-CZ3 4.24Å; K280-W290 VanDerWaalsContact CA-CZ2 3.48Å; K280-W290 HydrophobicContact CB-CD2 4.47Å; K280-W290 HydrophobicContact CB-CH2 4.43Å; K280-W290 HydrophobicContact CB-CZ2 3.77Å; K280-W290 HydrophobicContact CD-CD2 4.47Å; K280-W290 HydrophobicContact CG-CD2 4.14Å; K280-W290 HydrophobicContact CG-CE3 4.29Å; K280-W290 HydrophobicContact CG-CH2 3.85Å; K280-W290 HydrophobicContact CG-CZ2 3.68Å; K280-W290 HydrophobicContact CG-CZ3 4.13Å; K280-W290 PolarHBondContact O-NE1 3.18Å; F285-W290 HydrophobicContact CB-CZ2 3.82Å; F285-W290 AromaticContact CD1-CH2 3.82Å; F285-W290 HydrophobicContact CD1-CH2 3.82Å; F285-W290 AromaticContact CD1-CZ2 3.85Å; F285-W290 HydrophobicContact CD1-CZ2 3.85Å; F285-W290 HydrophobicContact CD2-CZ2 4.4Å; F285-W290 HydrophobicContact CE1-CH2 4.02Å; F285-W290 HydrophobicContact CE1-CZ2 4.5Å; F285-W290 HydrophobicContact CG-CH2 4.09Å; F285-W290 AromaticContact CG-CZ2 3.79Å; F285-W290 HydrophobicContact CG-CZ2 3.79Å; F285-W290 HydrophobicContact CZ-CH2 4.44Å; T288-W290 HydrophobicContact CG2-CD2 3.88Å; T288-W290 HydrophobicContact CG2-CE3 4.13Å; T288-W290 HydrophobicContact CG2-CG 4.34Å; T288-W290 HydrophobicContact CG2-CH2 4.28Å; T288-W290 HydrophobicContact CG2-CZ2 4Å; T288-W290 HydrophobicContact CG2-CZ3 4.35Å; T288-W290 PolarHBondContact O-N 3.17Å; W290-Y294 WeakPolarHBondContact O-CB 3.38Å; W290-Y294 PolarHBondContact O-N 2.83Å; W290-Y294 VanDerWaalsContact O-N 3.11Å |
| 291 | I | 97.7 | Very high | 98.2 | Very high | 71 Ų | 71 | 64.5 Ų | 64.5 | 36% | 0.364 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -76.5 | -44.1 | -179.3 | -63.3 | 175.2 | 0 | 0 | 0 | 109.2 | L4 D289 I293 Y294 Q295 | L4-I291 HydrophobicContact CD1-CG1 4.07Å; D289-I291 VanDerWaalsContact C-N 3.25Å; D289-I291 PolarHBondContact O-N 3.38Å; D289-I291 PolarHBondContact OD1-N 3.48Å; I291-I293 VanDerWaalsContact C-N 3.33Å; I291-I293 PolarHBondContact O-N 2.8Å; I291-Y294 PolarHBondContact O-N 3.33Å; I291-Q295 HydrophobicContact CG2-CG 4.32Å; I291-Q295 WeakPolarHBondContact O-CB 3.46Å; I291-Q295 VanDerWaalsContact O-CG 3.32Å; I291-Q295 WeakPolarHBondContact O-CG 3.43Å; I291-Q295 PolarHBondContact O-N 3.06Å |
| 292 | A | 97.8 | Very high | 98.1 | Very high | 15 Ų | 15 | 61.5 Ų | 61.5 | 12% | 0.124 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -63.1 | -39.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | D289 Q295 R296 K297 V298 | D289-A292 HydrophobicContact CB-CB 3.84Å; D289-A292 VanDerWaalsContact CG-CB 3.44Å; D289-A292 PolarHBondContact O-N 2.98Å; D289-A292 PolarHBondContact OD1-N 3.19Å; A292-Q295 CarbonylContact O-C 3.58Å; A292-Q295 PolarHBondContact O-N 3.41Å; A292-R296 PolarHBondContact O-N 3.36Å; A292-R296 VanDerWaalsContact O-N 3.08Å; A292-K297 HydrophobicContact CB-CB 4.29Å; A292-K297 PolarHBondContact O-N 3.35Å; A292-V298 HydrophobicContact CB-CG2 3.67Å |
| 293 | I | 98.5 | Very high | 98 | Very high | 6 Ų | 6 | 64.9 Ų | 64.9 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -53.3 | 173 | -67.7 | -71.7 | 0 | 0 | 0 | 109.9 | F90 F133 A136 Q137 L140 T288 D289 I291 Q295 R296 V298 | F90-I293 HydrophobicContact CE2-CG2 4.36Å; F90-I293 HydrophobicContact CZ-CG2 4.01Å; F90-I293 WeakPolarHBondContact CZ-O 3.15Å; F133-I293 HydrophobicContact CD2-CD1 3.57Å; F133-I293 HydrophobicContact CE2-CD1 3.7Å; A136-I293 HydrophobicContact CB-CG1 4.45Å; A136-I293 HydrophobicContact CB-CG2 4.42Å; Q137-I293 HydrophobicContact CG-CG2 3.71Å; L140-I293 HydrophobicContact CD1-CB 4.33Å; L140-I293 HydrophobicContact CD1-CG2 3.82Å; T288-I293 HydrophobicContact CG2-CG1 4.28Å; D289-I293 VanDerWaalsContact O-CG1 3.3Å; D289-I293 WeakPolarHBondContact O-CG1 3.4Å; D289-I293 PolarHBondContact O-N 3.35Å; I291-I293 VanDerWaalsContact C-N 3.33Å; I291-I293 PolarHBondContact O-N 2.8Å; I293-Q295 VanDerWaalsContact C-N 3.28Å; I293-Q295 PolarHBondContact O-N 3.09Å; I293-R296 WeakPolarHBondContact O-CA 3.28Å; I293-R296 PolarHBondContact O-N 3.31Å; I293-V298 HydrophobicContact CD1-CB 3.89Å; I293-V298 HydrophobicContact CD1-CG1 4.19Å; I293-V298 HydrophobicContact CD1-CG2 3.71Å; I293-V298 HydrophobicContact CG1-CG2 4.05Å |
| 294 | Y | 97.8 | Very high | 97.8 | Very high | 33 Ų | 33 | 57.9 Ų | 57.9 | 13% | 0.129 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -55.9 | -41.6 | 178.8 | 175.2 | -101.4 | 0 | 0 | 0 | 112.9 | Y11 F88 P89 W290 I291 R296 | Y11-Y294 WeakPolarHBondContact CE2-OH 3.46Å; Y11-Y294 PolarHBondContact OH-OH 2.87Å; Y11-Y294 VanDerWaalsContact OH-OH 3.06Å; F88-Y294 HydrophobicContact CD2-CE2 4.26Å; F88-Y294 HydrophobicContact CE2-CD2 4.06Å; F88-Y294 AromaticContact CE2-CE2 3.57Å; F88-Y294 HydrophobicContact CE2-CE2 3.57Å; F88-Y294 AromaticContact CZ-CD2 3.9Å; F88-Y294 HydrophobicContact CZ-CD2 3.9Å; F88-Y294 AromaticContact CZ-CE2 3.9Å; F88-Y294 HydrophobicContact CZ-CE2 3.9Å; P89-Y294 HydrophobicContact CG-CD2 4.07Å; P89-Y294 HydrophobicContact CG-CE2 3.64Å; W290-Y294 WeakPolarHBondContact O-CB 3.38Å; W290-Y294 PolarHBondContact O-N 2.83Å; W290-Y294 VanDerWaalsContact O-N 3.11Å; I291-Y294 PolarHBondContact O-N 3.33Å; Y294-R296 PolarHBondContact O-N 3.43Å |
| 295 | Q | 97.4 | Very high | 97.5 | Very high | 96 Ų | 96 | 66.4 Ų | 66.4 | 45% | 0.449 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | 1.8 | 178.5 | -67.7 | -178.5 | -6.9 | 0 | 0 | 113.7 | I291 A292 I293 K297 | I291-Q295 HydrophobicContact CG2-CG 4.32Å; I291-Q295 WeakPolarHBondContact O-CB 3.46Å; I291-Q295 VanDerWaalsContact O-CG 3.32Å; I291-Q295 WeakPolarHBondContact O-CG 3.43Å; I291-Q295 PolarHBondContact O-N 3.06Å; A292-Q295 CarbonylContact O-C 3.58Å; A292-Q295 PolarHBondContact O-N 3.41Å; I293-Q295 VanDerWaalsContact C-N 3.28Å; I293-Q295 PolarHBondContact O-N 3.09Å; Q295-K297 VanDerWaalsContact C-N 3.27Å; Q295-K297 HydrophobicContact CB-CD 4.01Å; Q295-K297 HydrophobicContact CB-CG 3.98Å; Q295-K297 PolarHBondContact O-N 3.45Å; Q295-K297 VanDerWaalsContact OE1-CE 3.25Å |
| 296 | R | 98.2 | Very high | 97 | Very high | 60 Ų | 60 | 69.7 Ų | 69.7 | 23% | 0.226 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 38.7 | -178.5 | -56.5 | 174.2 | 62.5 | 115.7 | 4.6 | 113.2 | P89 F90 D163 Y167 A292 I293 Y294 | P89-R296 PolarHBondContact O-NH1 2.9Å; F90-R296 HydrophobicContact CE1-CG 4.08Å; D163-R296 IonicContact OD1-NH2 2.86Å; D163-R296 PolarHBondContact OD1-NH2 3.41Å; D163-R296 VanDerWaalsContact OD1-NH2 3.09Å; D163-R296 IonicContact OD2-CZ 2.64Å; D163-R296 VanDerWaalsContact OD2-CZ 3.23Å; D163-R296 IonicContact OD2-NH1 3.16Å; D163-R296 PolarHBondContact OD2-NH1 3.04Å; D163-R296 IonicContact OD2-NH2 3.74Å; D163-R296 PolarHBondContact OD2-NH2 2.95Å; Y167-R296 HydrophobicContact CD1-CG 4.08Å; Y167-R296 HydrophobicContact CE1-CB 4.12Å; Y167-R296 HydrophobicContact CE1-CG 3.98Å; Y167-R296 HydrophobicContact CE2-CB 4.25Å; Y167-R296 HydrophobicContact CG-CG 4.47Å; Y167-R296 VanDerWaalsContact OH-C 3.31Å; Y167-R296 WeakPolarHBondContact OH-CA 3.3Å; A292-R296 PolarHBondContact O-N 3.36Å; A292-R296 VanDerWaalsContact O-N 3.08Å; I293-R296 WeakPolarHBondContact O-CA 3.28Å; I293-R296 PolarHBondContact O-N 3.31Å; Y294-R296 PolarHBondContact O-N 3.43Å |
| 297 | K | 98 | Very high | 96.5 | Very high | 148 Ų | 148 | 77.1 Ų | 77.1 | 64% | 0.643 | 37% | 0.368 | S | S | * | . | trans | -99.8 | -8.4 | -178.1 | -71.1 | -179 | 176.5 | 171.3 | 0 | 114.1 | A292 Q295 | A292-K297 HydrophobicContact CB-CB 4.29Å; A292-K297 PolarHBondContact O-N 3.35Å; Q295-K297 VanDerWaalsContact C-N 3.27Å; Q295-K297 HydrophobicContact CB-CD 4.01Å; Q295-K297 HydrophobicContact CB-CG 3.98Å; Q295-K297 PolarHBondContact O-N 3.45Å; Q295-K297 VanDerWaalsContact OE1-CE 3.25Å | ||
| 298 | V | 98.1 | Very high | 96.1 | Very high | 50 Ų | 50 | 73.2 Ų | 73.2 | 30% | 0.303 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -84.6 | 134.8 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 108.6 | F133 Y167 A292 I293 A300 | F133-V298 HydrophobicContact CD2-CG1 4.13Å; F133-V298 HydrophobicContact CE2-CB 4.15Å; F133-V298 HydrophobicContact CE2-CG1 4.05Å; Y167-V298 WeakPolarHBondContact CE2-O 3.19Å; Y167-V298 PolarHBondContact OH-N 3.37Å; Y167-V298 VanDerWaalsContact OH-N 3.11Å; Y167-V298 PolarHBondContact OH-O 2.95Å; A292-V298 HydrophobicContact CB-CG2 3.67Å; I293-V298 HydrophobicContact CD1-CB 3.89Å; I293-V298 HydrophobicContact CD1-CG1 4.19Å; I293-V298 HydrophobicContact CD1-CG2 3.71Å; I293-V298 HydrophobicContact CG1-CG2 4.05Å; V298-A300 PolarHBondContact O-N 3.4Å |
| 299 | E | 98.2 | Very high | 95.7 | Very high | 180 Ų | 180 | 76.2 Ų | 76.2 | 84% | 0.841 | 37% | 0.371 | S | S | * | . | P | Polyproline II helix | trans | -65.4 | 129.3 | 173.2 | -172.5 | 177.6 | 176.7 | 0 | 0 | 109.9 | ||
| 300 | A | 98.3 | Very high | 95.4 | Very high | 10 Ų | 10 | 73 Ų | 73 | 8% | 0.083 | 36% | 0.359 | C | S | . | . | P | Polyproline II helix | trans | -74.3 | 142 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | F133 Q165 V298 F302 I303 | F133-A300 HydrophobicContact CE1-CB 3.87Å; F133-A300 HydrophobicContact CZ-CB 3.77Å; Q165-A300 WeakPolarHBondContact O-CB 3.45Å; V298-A300 PolarHBondContact O-N 3.4Å; A300-F302 PolarHBondContact O-N 3.07Å; A300-I303 HydrophobicContact CB-CD1 3.96Å |
| 301 | P | 97.3 | Very high | 95.3 | Very high | 64 Ų | 64 | 72.7 Ų | 72.7 | 42% | 0.416 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -67.8 | -16 | 179.3 | 29 | -36.5 | 0 | 0 | 0 | 113.4 | H130 F133 | H130-P301 HydrophobicContact CB-CB 4.05Å; H130-P301 HydrophobicContact CB-CG 4.16Å; H130-P301 WeakPolarHBondContact CD2-CG 3.38Å; F133-P301 HydrophobicContact CB-CG 4.29Å; F133-P301 HydrophobicContact CD1-CG 3.81Å; F133-P301 HydrophobicContact CE1-CG 4.44Å; F133-P301 HydrophobicContact CG-CG 4.19Å |
| 302 | F | 95.5 | Very high | 95.2 | Very high | 42 Ų | 42 | 70.5 Ų | 70.5 | 18% | 0.184 | 35% | 0.35 | C | S | . | . | trans | -147.7 | 128.3 | -179.8 | 169.4 | -103.4 | 0 | 0 | 0 | 109.6 | H119 I162 G166 A300 P304 | H119-F302 AromaticContact CD2-CE1 3.9Å; H119-F302 AromaticContact CE1-CE1 3.64Å; H119-F302 AromaticContact CE1-CZ 3.52Å; H119-F302 AromaticContact CG-CE1 3.93Å; H119-F302 AromaticContact ND1-CE1 3.79Å; H119-F302 AromaticContact ND1-CZ 3.6Å; H119-F302 AromaticContact NE2-CE1 3.64Å; I162-F302 HydrophobicContact CD1-CD1 3.97Å; I162-F302 HydrophobicContact CD1-CE1 4.1Å; I162-F302 HydrophobicContact CG2-CD1 4.39Å; G166-F302 WeakPolarHBondContact CA-O 3.46Å; A300-F302 PolarHBondContact O-N 3.07Å; F302-P304 HydrophobicContact CE1-CB 3.92Å; F302-P304 HydrophobicContact CZ-CB 4.18Å | ||
| 303 | I | 96.9 | Very high | 95.1 | Very high | 88 Ų | 88 | 73.5 Ų | 73.5 | 45% | 0.451 | 37% | 0.37 | S | S | . | . | trans | -108.9 | 121.2 | 170.5 | -55.8 | -61.1 | 0 | 0 | 0 | 107.8 | Q165 A300 | Q165-I303 VanDerWaalsContact C-CD1 3.42Å; Q165-I303 WeakPolarHBondContact O-CD1 3.36Å; A300-I303 HydrophobicContact CB-CD1 3.96Å | ||
| 304 | P | 94.1 | Very high | 94.9 | Very high | 4 Ų | 4 | 74.3 Ų | 74.3 | 3% | 0.026 | 38% | 0.375 | C | S | . | . | trans | -65.1 | 139.8 | 178.6 | 26.5 | -32.5 | 0 | 0 | 0 | 110.4 | I162 D163 F302 F306 | I162-P304 HydrophobicContact CG2-CG 4.05Å; D163-P304 WeakPolarHBondContact O-CD 3.27Å; D163-P304 VanDerWaalsContact O-CG 3.25Å; D163-P304 WeakPolarHBondContact O-CG 3.42Å; F302-P304 HydrophobicContact CE1-CB 3.92Å; F302-P304 HydrophobicContact CZ-CB 4.18Å; P304-F306 WeakPolarHBondContact O-CD1 3.41Å | ||
| 305 | K | 92.4 | Very high | 94.7 | Very high | 182 Ų | 182 | 73.8 Ų | 73.8 | 79% | 0.791 | 37% | 0.373 | S | S | * | . | trans | -83.1 | 127.1 | 173.7 | -64.6 | -176.6 | -179.3 | -179.1 | 0 | 108.5 | N314 | K305-N314 PolarHBondContact O-ND2 3.18Š| ||
| 306 | F | 90.3 | Very high | 94.5 | Very high | 73 Ų | 73 | 74.1 Ų | 74.1 | 32% | 0.32 | 38% | 0.378 | S | S | . | . | trans | -151.9 | 155.3 | 171.7 | 65.8 | -81.3 | 0 | 0 | 0 | 109.8 | P112 H164 P304 G308 D311 | P112-F306 HydrophobicContact CB-CD2 4.3Å; P112-F306 HydrophobicContact CB-CG 4.37Å; P112-F306 HydrophobicContact CG-CD2 4.3Å; P112-F306 HydrophobicContact CG-CE2 4.24Å; P112-F306 HydrophobicContact CG-CG 4.47Å; P112-F306 HydrophobicContact CG-CZ 4.36Å; H164-F306 HydrophobicContact CB-CE1 3.68Å; H164-F306 HydrophobicContact CB-CZ 3.55Å; P304-F306 WeakPolarHBondContact O-CD1 3.41Å; F306-G308 WeakPolarHBondContact CD2-O 3.25Å; F306-D311 WeakPolarHBondContact CA-OD2 3.38Å; F306-D311 HydrophobicContact CB-CB 4.2Å; F306-D311 WeakPolarHBondContact CB-OD2 3.42Å | ||
| 307 | R | 87.9 | Confident | 94.2 | Very high | 240 Ų | 240 | 77.9 Ų | 77.9 | 91% | 0.906 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -100.1 | -3.9 | -169.6 | -61.5 | -178.5 | -178.2 | 179.5 | 1.5 | 114.1 | D311 | R307-D311 HydrophobicContact CB-CB 4.5Å; R307-D311 PolarHBondContact N-OD2 3.14Å |
| 308 | G | 89.4 | Confident | 94 | Very high | 29 Ų | 29 | 74.2 Ų | 74.2 | 30% | 0.299 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 166.4 | 176.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F306 G310 D311 | F306-G308 WeakPolarHBondContact CD2-O 3.25Å; G308-G310 PolarHBondContact O-N 3.21Å; G308-G310 VanDerWaalsContact O-N 3.17Å; G308-D311 WeakPolarHBondContact O-CB 3.24Å; G308-D311 PolarHBondContact O-N 3.39Å |
| 309 | S | 89.6 | Confident | 93.7 | Very high | 84 Ų | 84 | 79.6 Ų | 79.6 | 59% | 0.587 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -19.8 | -174.6 | 44.6 | 0 | 0 | 0 | 0 | 115 | Y110 | Y110-S309 WeakPolarHBondContact CD1-O 3.42Å; Y110-S309 WeakPolarHBondContact CE1-O 3.49Å |
| 310 | G | 92.4 | Very high | 93.5 | Very high | 24 Ų | 24 | 75.3 Ų | 75.3 | 25% | 0.247 | 39% | 0.387 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 13 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G308 T312 | G308-G310 PolarHBondContact O-N 3.21Å; G308-G310 VanDerWaalsContact O-N 3.17Å; G310-T312 PolarHBondContact O-N 3.08Å |
| 311 | D | 95.5 | Very high | 93 | Very high | 27 Ų | 27 | 80.6 Ų | 80.6 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | trans | -73.4 | 122.3 | -179.9 | 179.7 | 14.8 | 0 | 0 | 0 | 111.3 | Y110 F306 R307 G308 S313 | Y110-D311 PolarHBondContact OH-O 3.46Å; F306-D311 WeakPolarHBondContact CA-OD2 3.38Å; F306-D311 HydrophobicContact CB-CB 4.2Å; F306-D311 WeakPolarHBondContact CB-OD2 3.42Å; R307-D311 HydrophobicContact CB-CB 4.5Å; R307-D311 PolarHBondContact N-OD2 3.14Å; G308-D311 WeakPolarHBondContact O-CB 3.24Å; G308-D311 PolarHBondContact O-N 3.39Å; D311-S313 VanDerWaalsContact CG-OG 3.26Å; D311-S313 WeakPolarHBondContact OD1-CB 3.25Å; D311-S313 PolarHBondContact OD1-N 3.32Å; D311-S313 PolarHBondContact OD1-OG 2.79Å; D311-S313 PolarHBondContact OD2-OG 2.8Å | ||
| 312 | T | 96 | Very high | 92.6 | Very high | 25 Ų | 25 | 83.5 Ų | 83.5 | 15% | 0.153 | 42% | 0.422 | C | S | . | . | trans | -104.5 | 13.8 | 179.8 | 61.6 | 0 | 0 | 0 | 0 | 113.4 | K35 L37 L47 G310 N314 F315 | K35-T312 HydrophobicContact CB-CG2 4.34Å; K35-T312 HydrophobicContact CD-CG2 3.97Å; K35-T312 VanDerWaalsContact CD-OG1 3.26Å; K35-T312 WeakPolarHBondContact CD-OG1 3.27Å; L37-T312 HydrophobicContact CD2-CG2 3.83Å; L47-T312 HydrophobicContact CB-CG2 4.48Å; L47-T312 HydrophobicContact CD2-CG2 3.47Å; L47-T312 VanDerWaalsContact CD2-CG2 3.47Å; G310-T312 PolarHBondContact O-N 3.08Å; T312-N314 PolarHBondContact O-N 3.38Å; T312-F315 PolarHBondContact O-N 2.97Å | ||
| 313 | S | 95.4 | Very high | 92.2 | Very high | 78 Ų | 78 | 82.6 Ų | 82.6 | 55% | 0.545 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14.6 | -173.6 | 61.1 | 0 | 0 | 0 | 0 | 115.2 | D311 | D311-S313 VanDerWaalsContact CG-OG 3.26Å; D311-S313 WeakPolarHBondContact OD1-CB 3.25Å; D311-S313 PolarHBondContact OD1-N 3.32Å; D311-S313 PolarHBondContact OD1-OG 2.79Å; D311-S313 PolarHBondContact OD2-OG 2.8Å |
| 314 | N | 95.3 | Very high | 91.9 | Very high | 24 Ų | 24 | 87.9 Ų | 87.9 | 13% | 0.128 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92 | 5.6 | 172 | -62.4 | -62.4 | 0 | 0 | 0 | 113.5 | P112 G113 K305 T312 | P112-N314 PolarHBondContact O-ND2 3.47Å; P112-N314 VanDerWaalsContact O-ND2 3.17Å; G113-N314 VanDerWaalsContact O-CB 3.31Å; G113-N314 WeakPolarHBondContact O-CB 3.22Å; K305-N314 PolarHBondContact O-ND2 3.18Å; T312-N314 PolarHBondContact O-N 3.38Å |
| 315 | F | 93.8 | Very high | 91.9 | Very high | 22 Ų | 22 | 91 Ų | 91 | 10% | 0.096 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -116.5 | 144 | 175.8 | -66.4 | -94.4 | 0 | 0 | 0 | 109.9 | L37 Y110 V111 T312 | L37-F315 HydrophobicContact CB-CD1 3.98Å; L37-F315 HydrophobicContact CB-CE1 4.27Å; L37-F315 HydrophobicContact CB-CG 4.48Å; L37-F315 HydrophobicContact CD2-CB 4.19Å; L37-F315 HydrophobicContact CD2-CD1 4.11Å; L37-F315 HydrophobicContact CD2-CD2 3.94Å; L37-F315 HydrophobicContact CD2-CE2 4.36Å; L37-F315 HydrophobicContact CD2-CG 3.81Å; Y110-F315 HydrophobicContact CE2-CD2 4.49Å; Y110-F315 AromaticContact CE2-CE2 3.68Å; Y110-F315 HydrophobicContact CE2-CE2 3.68Å; Y110-F315 AromaticContact CE2-CZ 3.93Å; Y110-F315 HydrophobicContact CE2-CZ 3.93Å; Y110-F315 AromaticContact CZ-CE2 3.9Å; Y110-F315 VanDerWaalsContact OH-CE2 3.3Å; Y110-F315 WeakPolarHBondContact OH-CE2 3.16Å; V111-F315 VanDerWaalsContact O-CZ 3.32Å; V111-F315 WeakPolarHBondContact O-CZ 3.28Å; T312-F315 PolarHBondContact O-N 2.97Å |
| 316 | D | 91.7 | Very high | 92 | Very high | 102 Ų | 102 | 84.1 Ų | 84.1 | 55% | 0.545 | 43% | 0.427 | S | S | . | . | trans | -65.5 | 162.1 | 177 | -66.6 | -28.1 | 0 | 0 | 0 | 111.6 | K35 Y318 | K35-D316 PolarHBondContact NZ-O 3.38Å; D316-Y318 HydrophobicContact CB-CE2 3.96Å; D316-Y318 WeakPolarHBondContact O-CD2 3.32Å | ||
| 317 | D | 92.6 | Very high | 92.2 | Very high | 139 Ų | 139 | 88.6 Ų | 88.6 | 74% | 0.743 | 45% | 0.452 | S | S | * | . | trans | -86.8 | 129.3 | 174 | -68.4 | -41.9 | 0 | 0 | 0 | 110 | K35 | K35-D317 WeakPolarHBondContact CE-OD1 3.45Å; K35-D317 IonicContact NZ-OD1 3.55Å; K35-D317 PolarHBondContact NZ-OD1 2.91Å | ||
| 318 | Y | 93.3 | Very high | 92.6 | Very high | 72 Ų | 72 | 80.7 Ų | 80.7 | 28% | 0.282 | 43% | 0.431 | S | S | . | . | trans | -120.1 | 153.7 | 177 | -64.3 | -90.4 | 0 | 0 | 0 | 109.9 | T36 L37 T39 D316 E320 | T36-Y318 HydrophobicContact CG2-CD2 4.31Å; T36-Y318 HydrophobicContact CG2-CG 4.14Å; L37-Y318 WeakPolarHBondContact O-CE2 3.4Å; T39-Y318 HydrophobicContact CG2-CD1 3.94Å; T39-Y318 HydrophobicContact CG2-CG 4.33Å; D316-Y318 HydrophobicContact CB-CE2 3.96Å; D316-Y318 WeakPolarHBondContact O-CD2 3.32Å; Y318-E320 PolarHBondContact O-N 2.92Å | ||
| 319 | E | 92.8 | Very high | 93 | Very high | 163 Ų | 163 | 84.8 Ų | 84.8 | 76% | 0.762 | 44% | 0.442 | S | S | * | . | trans | -63 | 125.8 | 171.8 | -170.9 | 175.2 | -180 | 0 | 0 | 110.2 | R44 | R44-E319 PolarHBondContact NH2-O 3.32Š| ||
| 320 | E | 92.8 | Very high | 93.3 | Very high | 89 Ų | 89 | 83.6 Ų | 83.6 | 42% | 0.416 | 43% | 0.426 | S | S | . | . | trans | -77.4 | 128.5 | 176.1 | -62.4 | -61.3 | 168 | 0 | 0 | 109.6 | K35 T36 R44 Y318 | K35-E320 WeakPolarHBondContact CA-OE1 3.34Å; K35-E320 WeakPolarHBondContact CG-OE1 3.27Å; T36-E320 WeakPolarHBondContact CB-OE2 3.46Å; T36-E320 PolarHBondContact N-OE1 3.07Å; T36-E320 PolarHBondContact N-OE2 2.8Å; T36-E320 PolarHBondContact OG1-OE2 2.67Å; R44-E320 IonicContact NH2-OE2 3.51Å; Y318-E320 PolarHBondContact O-N 2.92Å | ||
| 321 | E | 88.8 | Confident | 93.5 | Very high | 122 Ų | 122 | 83.7 Ų | 83.7 | 57% | 0.57 | 42% | 0.423 | S | S | * | . | trans | -122.1 | 148.9 | 173.6 | -42 | 172.6 | 162.5 | 0 | 0 | 110 | R44 I323 | R44-E321 VanDerWaalsContact NH1-CG 3.31Å; R44-E321 IonicContact NH1-OE2 2.71Å; E321-I323 PolarHBondContact O-N 2.77Å | ||
| 322 | D | 88.2 | Confident | 93.5 | Very high | 124 Ų | 124 | 84.4 Ų | 84.4 | 66% | 0.663 | 43% | 0.433 | S | S | * | . | trans | -64.8 | 127.7 | 174.3 | -71.4 | -39.1 | 0 | 0 | 0 | 111.7 | R324 | D322-R324 HydrophobicContact CB-CG 4.44Å; D322-R324 PolarHBondContact O-N 2.89Å; D322-R324 VanDerWaalsContact O-N 3.12Å | ||
| 323 | I | 86.8 | Confident | 93.4 | Very high | 23 Ų | 23 | 92.6 Ų | 92.6 | 12% | 0.118 | 47% | 0.466 | C | S | . | . | trans | -73 | 105.4 | 164.5 | -50.9 | 173.1 | 0 | 0 | 0 | 107.8 | M46 I61 E321 | M46-I323 HydrophobicContact SD-CD1 3.81Å; M46-I323 HydrophobicContact SD-CG1 4.19Å; I61-I323 HydrophobicContact CD1-CD1 3.33Å; I61-I323 HydrophobicContact CD1-CG1 4.14Å; I61-I323 HydrophobicContact CG1-CD1 4.23Å; I61-I323 HydrophobicContact CG2-CG2 4.27Å; E321-I323 PolarHBondContact O-N 2.77Å | ||
| 324 | R | 90.4 | Very high | 93.5 | Very high | 200 Ų | 200 | 92.7 Ų | 92.7 | 76% | 0.755 | 46% | 0.458 | S | S | * | . | trans | -89.1 | 131.6 | 176.7 | -64.1 | -175.8 | 179.5 | -175.6 | 0.7 | 110.6 | N103 D322 | N103-R324 PolarHBondContact ND2-O 3.16Å; D322-R324 HydrophobicContact CB-CG 4.44Å; D322-R324 PolarHBondContact O-N 2.89Å; D322-R324 VanDerWaalsContact O-N 3.12Å | ||
| 325 | V | 94.4 | Very high | 93.5 | Very high | 70 Ų | 70 | 91.6 Ų | 91.6 | 42% | 0.424 | 45% | 0.452 | S | S | . | . | trans | -111.2 | 120.6 | 173.1 | -173.6 | 0 | 0 | 0 | 0 | 108.3 | L28 D100 N101 | L28-V325 HydrophobicContact CD2-CG2 4.32Å; D100-V325 HydrophobicContact CB-CG1 4.13Å; D100-V325 WeakPolarHBondContact OD2-CG1 3.34Å; D100-V325 WeakPolarHBondContact OD2-CG2 3.39Å; N101-V325 HydrophobicContact CB-CG1 4.19Å | ||
| 326 | S | 94.9 | Very high | 93.4 | Very high | 37 Ų | 37 | 92.9 Ų | 92.9 | 26% | 0.259 | 47% | 0.471 | S | S | . | . | trans | -69.4 | 148.6 | 178.8 | -170.6 | 0 | 0 | 0 | 0 | 110.6 | N101 S102 T328 K330 | N101-S326 WeakPolarHBondContact CB-O 3.34Å; N101-S326 PolarHBondContact ND2-O 3.16Å; S102-S326 VanDerWaalsContact OG-CB 3.29Å; S102-S326 WeakPolarHBondContact OG-CB 3.3Å; S102-S326 PolarHBondContact OG-N 3.3Å; S326-T328 WeakPolarHBondContact CB-O 3.49Å; S326-T328 PolarHBondContact O-N 3.32Å; S326-T328 PolarHBondContact OG-N 3.44Å; S326-T328 PolarHBondContact OG-O 3.4Å; S326-T328 PolarHBondContact OG-OG1 2.69Å; S326-K330 WeakPolarHBondContact OG-CE 3.37Å | ||
| 327 | I | 95.3 | Very high | 93.3 | Very high | 166 Ų | 166 | 96 Ų | 96 | 85% | 0.851 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -68 | -27.1 | 172 | -56.7 | 166.8 | 0 | 0 | 0 | 110.7 | N101 | N101-I327 PolarHBondContact ND2-O 2.76Å; N101-I327 VanDerWaalsContact ND2-O 3.15Å |
| 328 | T | 96.1 | Very high | 93.3 | Very high | 75 Ų | 75 | 90.5 Ų | 90.5 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | S | Bend | trans | -105.3 | 136.5 | -179.5 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | S326 K330 | S326-T328 WeakPolarHBondContact CB-O 3.49Å; S326-T328 PolarHBondContact O-N 3.32Å; S326-T328 PolarHBondContact OG-N 3.44Å; S326-T328 PolarHBondContact OG-O 3.4Å; S326-T328 PolarHBondContact OG-OG1 2.69Å; T328-K330 PolarHBondContact O-N 2.8Å; T328-K330 VanDerWaalsContact OG1-CE 3.3Å; T328-K330 WeakPolarHBondContact OG1-CE 3.4Å; T328-K330 PolarHBondContact OG1-NZ 2.92Å |
| 329 | E | 96.9 | Very high | 93.2 | Very high | 114 Ų | 114 | 91.4 Ų | 91.4 | 53% | 0.533 | 46% | 0.461 | S | S | . | . | trans | -62.5 | 131.3 | 176.4 | -167.6 | 176.6 | -161.8 | 0 | 0 | 112 | N101 A332 | N101-E329 WeakPolarHBondContact OD1-CA 3.41Å; E329-A332 VanDerWaalsContact CD-CB 3.41Å; E329-A332 HydrophobicContact CG-CB 3.92Å | ||
| 330 | K | 96.9 | Very high | 93.3 | Very high | 59 Ų | 59 | 87.6 Ų | 87.6 | 26% | 0.257 | 45% | 0.445 | S | S | . | . | trans | -108.9 | 140.9 | 176.4 | -52.7 | -53.1 | -173.4 | -170.8 | 0 | 110.3 | K64 Q65 N101 S326 T328 A332 | K64-K330 WeakPolarHBondContact CD-O 3.11Å; K64-K330 PolarHBondContact NZ-O 2.91Å; Q65-K330 HydrophobicContact CG-CB 4.15Å; Q65-K330 HydrophobicContact CG-CG 4.36Å; N101-K330 VanDerWaalsContact O-CB 3.27Å; N101-K330 WeakPolarHBondContact O-CB 3.37Å; N101-K330 WeakPolarHBondContact O-CG 3.48Å; N101-K330 PolarHBondContact O-N 3.18Å; S326-K330 WeakPolarHBondContact OG-CE 3.37Å; T328-K330 PolarHBondContact O-N 2.8Å; T328-K330 VanDerWaalsContact OG1-CE 3.3Å; T328-K330 WeakPolarHBondContact OG1-CE 3.4Å; T328-K330 PolarHBondContact OG1-NZ 2.92Å; K330-A332 PolarHBondContact O-N 2.84Å; K330-A332 VanDerWaalsContact O-N 3.16Å | ||
| 331 | C | 96.1 | Very high | 93.3 | Very high | 26 Ų | 26 | 87.6 Ų | 87.6 | 18% | 0.176 | 45% | 0.447 | C | S | . | . | S | Bend | trans | 52.5 | 37.5 | 171 | -51.3 | 0 | 0 | 0 | 0 | 113.9 | K64 V68 K333 E334 F335 | K64-C331 HydrophobicContact CB-CB 4.03Å; K64-C331 HydrophobicContact CD-CB 4.37Å; V68-C331 HydrophobicContact CG2-CB 4.14Å; C331-K333 VanDerWaalsContact C-N 3.29Å; C331-K333 PolarHBondContact O-N 3.41Å; C331-E334 WeakPolarHBondContact CA-OE2 3.46Å; C331-E334 HydrophobicContact CB-CB 4.35Å; C331-E334 PolarHBondContact O-N 3.35Å; C331-F335 HydrophobicContact CB-CD2 3.71Å; C331-F335 HydrophobicContact CB-CE2 3.74Å; C331-F335 WeakPolarHBondContact O-CD2 3.45Å; C331-F335 PolarHBondContact O-N 3.49Å |
| 332 | A | 94.2 | Very high | 93.6 | Very high | 42 Ų | 42 | 85.5 Ų | 85.5 | 35% | 0.347 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -39.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E329 K330 G336 | E329-A332 VanDerWaalsContact CD-CB 3.41Å; E329-A332 HydrophobicContact CG-CB 3.92Å; K330-A332 PolarHBondContact O-N 2.84Å; K330-A332 VanDerWaalsContact O-N 3.16Å; A332-G336 WeakPolarHBondContact O-CA 3.4Å; A332-G336 PolarHBondContact O-N 3.32Å; A332-G336 VanDerWaalsContact O-N 3.09Å |
| 333 | K | 95.4 | Very high | 93.9 | Very high | 198 Ų | 198 | 83.1 Ų | 83.1 | 86% | 0.861 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -42.6 | -179.3 | -68 | -175.4 | 178.5 | -178.5 | 0 | 111.4 | C331 F335 | C331-K333 VanDerWaalsContact C-N 3.29Å; C331-K333 PolarHBondContact O-N 3.41Å; K333-F335 VanDerWaalsContact C-N 3.33Å; K333-F335 PolarHBondContact O-N 2.9Å |
| 334 | E | 96.4 | Very high | 94.4 | Very high | 79 Ų | 79 | 87.1 Ų | 87.1 | 37% | 0.369 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -34.1 | -176.6 | -64.8 | 88 | 157.6 | 0 | 0 | 112.4 | V68 I73 C331 | V68-E334 HydrophobicContact CG2-CB 4.35Å; V68-E334 HydrophobicContact CG2-CG 4.15Å; I73-E334 HydrophobicContact CD1-CB 4.14Å; I73-E334 HydrophobicContact CD1-CG 3.93Å; I73-E334 HydrophobicContact CG2-CB 4.35Å; C331-E334 WeakPolarHBondContact CA-OE2 3.46Å; C331-E334 HydrophobicContact CB-CB 4.35Å; C331-E334 PolarHBondContact O-N 3.35Å |
| 335 | F | 95.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 79.1 Ų | 79.1 | 0% | 0.004 | 42% | 0.424 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 23.6 | -176.6 | -57.6 | -68.9 | 0 | 0 | 0 | 113.4 | K64 V67 V68 I73 L77 K99 L104 C331 K333 E337 F338 | K64-F335 HydrophobicContact CB-CD2 4.02Å; K64-F335 HydrophobicContact CB-CE2 3.71Å; K64-F335 HydrophobicContact CD-CD2 3.9Å; K64-F335 HydrophobicContact CD-CE2 4.44Å; K64-F335 HydrophobicContact CG-CD2 3.76Å; K64-F335 HydrophobicContact CG-CE2 3.88Å; V67-F335 HydrophobicContact CB-CZ 3.91Å; V67-F335 HydrophobicContact CG1-CE1 3.88Å; V67-F335 HydrophobicContact CG1-CZ 3.51Å; V68-F335 HydrophobicContact CG2-CE2 3.85Å; V68-F335 HydrophobicContact CG2-CZ 4.1Å; I73-F335 HydrophobicContact CB-CE1 4.41Å; I73-F335 HydrophobicContact CG1-CE1 4.43Å; I73-F335 HydrophobicContact CG1-CZ 4.14Å; I73-F335 HydrophobicContact CG2-CD1 4.46Å; I73-F335 HydrophobicContact CG2-CE1 3.96Å; I73-F335 HydrophobicContact CG2-CZ 4.43Å; L77-F335 HydrophobicContact CD2-CD1 4.38Å; K99-F335 PolarHBondContact NZ-O 3.47Å; L104-F335 HydrophobicContact CD1-CD1 3.55Å; L104-F335 HydrophobicContact CD1-CD2 4.45Å; L104-F335 HydrophobicContact CD1-CE1 3.61Å; L104-F335 HydrophobicContact CD1-CE2 4.5Å; L104-F335 HydrophobicContact CD1-CG 3.99Å; L104-F335 HydrophobicContact CD1-CZ 4.11Å; L104-F335 HydrophobicContact CD2-CB 4Å; L104-F335 HydrophobicContact CD2-CD1 4.32Å; L104-F335 HydrophobicContact CD2-CG 4.03Å; C331-F335 HydrophobicContact CB-CD2 3.71Å; C331-F335 HydrophobicContact CB-CE2 3.74Å; C331-F335 WeakPolarHBondContact O-CD2 3.45Å; C331-F335 PolarHBondContact O-N 3.49Å; K333-F335 VanDerWaalsContact C-N 3.33Å; K333-F335 PolarHBondContact O-N 2.9Å; F335-E337 PolarHBondContact O-N 3.27Å; F335-F338 HydrophobicContact CB-CB 4.11Å; F335-F338 WeakPolarHBondContact O-CB 3.29Å; F335-F338 PolarHBondContact O-N 3.01Å; F335-F338 VanDerWaalsContact O-N 3.11Å |
| 336 | G | 91.9 | Very high | 94.7 | Very high | 49 Ų | 49 | 79.8 Ų | 79.8 | 51% | 0.505 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -40.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | K99 A332 | K99-G336 PolarHBondContact NZ-O 3.19Å; A332-G336 WeakPolarHBondContact O-CA 3.4Å; A332-G336 PolarHBondContact O-N 3.32Å; A332-G336 VanDerWaalsContact O-N 3.09Å |
| 337 | E | 90.2 | Very high | 94.7 | Very high | 169 Ų | 169 | 83.3 Ų | 83.3 | 79% | 0.79 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -3.4 | -180 | -59.6 | -174.4 | 173.9 | 0 | 0 | 114.9 | F335 | F335-E337 PolarHBondContact O-N 3.27Š|
| 338 | F | 91 | Very high | 94.6 | Very high | 22 Ų | 22 | 75.8 Ų | 75.8 | 10% | 0.096 | 40% | 0.4 | C | S | . | . | trans | -62.3 | 0 | 176.8 | -173 | -82.3 | 0 | 0 | 0 | 110.3 | T76 L77 K80 A97 F98 K99 L104 M106 F335 | T76-F338 HydrophobicContact CG2-CD2 4.28Å; T76-F338 HydrophobicContact CG2-CE2 3.93Å; L77-F338 HydrophobicContact CD2-CB 3.83Å; L77-F338 HydrophobicContact CD2-CD2 4.14Å; L77-F338 HydrophobicContact CD2-CG 4.5Å; K80-F338 HydrophobicContact CB-CD2 4.41Å; K80-F338 HydrophobicContact CB-CE2 3.86Å; K80-F338 HydrophobicContact CB-CZ 4.24Å; K80-F338 WeakPolarHBondContact CD-OXT 3.45Å; K80-F338 WeakPolarHBondContact CE-OXT 3.42Å; K80-F338 HydrophobicContact CG-CE1 4.43Å; K80-F338 HydrophobicContact CG-CE2 4.04Å; K80-F338 HydrophobicContact CG-CZ 3.99Å; K80-F338 PolarHBondContact NZ-OXT 2.99Å; A97-F338 HydrophobicContact CB-CE1 4.43Å; F98-F338 WeakPolarHBondContact O-CE1 2.97Å; K99-F338 HydrophobicContact CB-CD1 4.3Å; K99-F338 HydrophobicContact CD-CB 4.15Å; K99-F338 HydrophobicContact CD-CD1 4.37Å; K99-F338 PolarHBondContact NZ-O 3.46Å; L104-F338 HydrophobicContact CB-CD1 4.47Å; L104-F338 HydrophobicContact CB-CD2 4.34Å; L104-F338 HydrophobicContact CB-CE1 4.03Å; L104-F338 HydrophobicContact CB-CE2 3.89Å; L104-F338 HydrophobicContact CB-CZ 3.72Å; L104-F338 HydrophobicContact CD1-CD2 3.83Å; L104-F338 HydrophobicContact CD1-CE2 3.95Å; L104-F338 HydrophobicContact CD1-CG 4.41Å; L104-F338 HydrophobicContact CD2-CB 4.2Å; L104-F338 HydrophobicContact CD2-CD1 3.94Å; L104-F338 HydrophobicContact CD2-CD2 4.05Å; L104-F338 HydrophobicContact CD2-CE1 4.34Å; L104-F338 HydrophobicContact CD2-CE2 4.44Å; L104-F338 HydrophobicContact CD2-CG 3.78Å; L104-F338 HydrophobicContact CG-CD2 4.29Å; L104-F338 HydrophobicContact CG-CE2 4.31Å; L104-F338 HydrophobicContact CG-CG 4.49Å; M106-F338 HydrophobicContact CG-CZ 3.92Å; F335-F338 HydrophobicContact CB-CB 4.11Å; F335-F338 WeakPolarHBondContact O-CB 3.29Å; F335-F338 PolarHBondContact O-N 3.01Å; F335-F338 VanDerWaalsContact O-N 3.11Å |
Retrieved 338 of 338 residues in 328.1 ms
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