| 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 | 55.6 | Low | 63.5 | Low | 68 Ų | 68 | 89.1 Ų | 89.1 | 34% | 0.335 | 48% | 0.482 | S | S | . | . | 0 | -52.7 | 0 | -63.8 | -53.7 | -94 | 0 | 0 | 111.9 | T3 L4 K5 C44 Y48 | M1-T3 PolarHBondContact N-OG1 3.12Å; M1-T3 PolarHBondContact O-N 3.34Å; M1-L4 HydrophobicContact CE-CD1 4.03Å; M1-L4 WeakPolarHBondContact O-CB 3.38Å; M1-L4 PolarHBondContact O-N 3.46Å; M1-L4 HydrophobicContact SD-CD1 3.37Å; M1-L4 WeakPolarHBondContact SD-CD1 3.23Å; M1-L4 HydrophobicContact SD-CG 4.5Å; M1-K5 PolarHBondContact O-N 2.97Å; M1-C44 HydrophobicContact CE-CB 4.47Å; M1-Y48 HydrophobicContact CE-CD2 3.25Å; M1-Y48 HydrophobicContact CE-CE2 3.27Å; M1-Y48 HydrophobicContact CE-CG 4.33Å | |||
| 2 | E | 55.6 | Low | 65.5 | Low | 138 Ų | 138 | 92.1 Ų | 92.1 | 65% | 0.645 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -53.8 | -35.7 | 162.3 | -75.3 | -171.3 | 179.7 | 0 | 0 | 111.6 | L4 K5 K6 | E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 PolarHBondContact O-N 2.89Å; E2-K5 CarbonylContact O-C 3.59Å; E2-K5 PolarHBondContact O-N 2.83Å; E2-K5 VanDerWaalsContact O-N 3.15Å; E2-K6 WeakPolarHBondContact O-CB 3.37Å; E2-K6 VanDerWaalsContact O-CG 3.27Å; E2-K6 WeakPolarHBondContact O-CG 3.25Å; E2-K6 PolarHBondContact O-N 3.3Å; E2-K6 IonicContact OE2-NZ 3.36Å; E2-K6 PolarHBondContact OE2-NZ 3.25Å; E2-K6 VanDerWaalsContact OE2-NZ 3.14Å |
| 3 | T | 55 | Low | 67.2 | Low | 62 Ų | 62 | 96.2 Ų | 96.2 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.6 | -33 | 171.5 | 48.7 | 0 | 0 | 0 | 0 | 114.5 | M1 K6 G7 D8 C9 | M1-T3 PolarHBondContact N-OG1 3.12Å; M1-T3 PolarHBondContact O-N 3.34Å; T3-K6 PolarHBondContact O-N 2.91Å; T3-G7 PolarHBondContact O-N 2.92Å; T3-G7 VanDerWaalsContact O-N 3.14Å; T3-D8 HydrophobicContact CG2-CB 4.35Å; T3-D8 PolarHBondContact O-N 2.83Å; T3-C9 PolarHBondContact O-N 3.23Å |
| 4 | L | 55.8 | Low | 68.8 | Low | 33 Ų | 33 | 90 Ų | 90 | 17% | 0.173 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -69.5 | -42.8 | 173.7 | -75.7 | 164 | 0 | 0 | 0 | 111.1 | M1 E2 K6 G7 C9 V14 | M1-L4 HydrophobicContact CE-CD1 4.03Å; M1-L4 WeakPolarHBondContact O-CB 3.38Å; M1-L4 PolarHBondContact O-N 3.46Å; M1-L4 HydrophobicContact SD-CD1 3.37Å; M1-L4 WeakPolarHBondContact SD-CD1 3.23Å; M1-L4 HydrophobicContact SD-CG 4.5Å; E2-L4 VanDerWaalsContact C-N 3.3Å; E2-L4 PolarHBondContact O-N 2.89Å; L4-K6 VanDerWaalsContact C-N 3.3Å; L4-K6 PolarHBondContact O-N 2.69Å; L4-G7 PolarHBondContact O-N 3.41Å; L4-C9 HydrophobicContact CD2-CB 3.83Å; L4-C9 VanDerWaalsContact CD2-O 3.29Å; L4-C9 WeakPolarHBondContact CD2-O 3.39Å; L4-C9 HydrophobicContact CG-CB 4.19Å; L4-V14 HydrophobicContact CD1-CG1 4.44Å; L4-V14 HydrophobicContact CD1-CG2 3.58Å; L4-V14 HydrophobicContact CD2-CG2 3.32Å; L4-V14 HydrophobicContact CG-CG2 3.85Å |
| 5 | K | 58.9 | Low | 70.3 | Confident | 170 Ų | 170 | 86.3 Ų | 86.3 | 74% | 0.739 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.8 | -32.8 | 175.3 | -73.6 | -174 | 173.1 | -177.2 | 0 | 112.3 | M1 E2 G7 Y48 | M1-K5 PolarHBondContact O-N 2.97Å; E2-K5 CarbonylContact O-C 3.59Å; E2-K5 PolarHBondContact O-N 2.83Å; E2-K5 VanDerWaalsContact O-N 3.15Å; K5-G7 VanDerWaalsContact C-N 3.26Å; K5-G7 PolarHBondContact O-N 3.08Å; K5-Y48 VanDerWaalsContact CE-OH 3.29Å; K5-Y48 WeakPolarHBondContact CE-OH 3.36Å |
| 6 | K | 64.1 | Low | 71.7 | Confident | 137 Ų | 137 | 90.3 Ų | 90.3 | 60% | 0.596 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -8.3 | 176.1 | -70.5 | 172.6 | -176.7 | 170.3 | 0 | 113.3 | E2 T3 L4 D8 | E2-K6 WeakPolarHBondContact O-CB 3.37Å; E2-K6 VanDerWaalsContact O-CG 3.27Å; E2-K6 WeakPolarHBondContact O-CG 3.25Å; E2-K6 PolarHBondContact O-N 3.3Å; E2-K6 IonicContact OE2-NZ 3.36Å; E2-K6 PolarHBondContact OE2-NZ 3.25Å; E2-K6 VanDerWaalsContact OE2-NZ 3.14Å; T3-K6 PolarHBondContact O-N 2.91Å; L4-K6 VanDerWaalsContact C-N 3.3Å; L4-K6 PolarHBondContact O-N 2.69Å; K6-D8 VanDerWaalsContact C-N 3.29Å; K6-D8 WeakPolarHBondContact CB-OD2 3.47Å |
| 7 | G | 58.8 | Low | 72.9 | Confident | 63 Ų | 63 | 89.9 Ų | 89.9 | 65% | 0.649 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.4 | 3.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | T3 L4 K5 C9 | T3-G7 PolarHBondContact O-N 2.92Å; T3-G7 VanDerWaalsContact O-N 3.14Å; L4-G7 PolarHBondContact O-N 3.41Å; K5-G7 VanDerWaalsContact C-N 3.26Å; K5-G7 PolarHBondContact O-N 3.08Å; G7-C9 VanDerWaalsContact C-N 3.27Å; G7-C9 PolarHBondContact O-N 3.23Å |
| 8 | D | 59.9 | Low | 74.2 | Confident | 119 Ų | 119 | 84.9 Ų | 84.9 | 64% | 0.636 | 43% | 0.427 | S | S | * | . | trans | -76.7 | -10.6 | -176.9 | -60.1 | -38.5 | 0 | 0 | 0 | 113.5 | T3 K6 | T3-D8 HydrophobicContact CG2-CB 4.35Å; T3-D8 PolarHBondContact O-N 2.83Å; K6-D8 VanDerWaalsContact C-N 3.29Å; K6-D8 WeakPolarHBondContact CB-OD2 3.47Å | ||
| 9 | C | 69.1 | Low | 75.2 | Confident | 28 Ų | 28 | 82.4 Ų | 82.4 | 19% | 0.189 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -133 | 126.7 | -176.8 | -173.7 | 0 | 0 | 0 | 0 | 109.7 | T3 L4 G7 Y13 | T3-C9 PolarHBondContact O-N 3.23Å; L4-C9 HydrophobicContact CD2-CB 3.83Å; L4-C9 VanDerWaalsContact CD2-O 3.29Å; L4-C9 WeakPolarHBondContact CD2-O 3.39Å; L4-C9 HydrophobicContact CG-CB 4.19Å; G7-C9 VanDerWaalsContact C-N 3.27Å; G7-C9 PolarHBondContact O-N 3.23Å; C9-Y13 WeakPolarHBondContact SG-CD1 3.4Å |
| 10 | S | 81.4 | Confident | 76.1 | Confident | 67 Ų | 67 | 80.5 Ų | 80.5 | 47% | 0.469 | 42% | 0.42 | S | S | . | . | trans | -72.6 | 147.2 | 177.5 | 67.7 | 0 | 0 | 0 | 0 | 110.9 | E12 Y13 V14 | S10-E12 PolarHBondContact O-N 3.44Å; S10-Y13 WeakPolarHBondContact O-CB 3.31Å; S10-Y13 PolarHBondContact O-N 3.29Å; S10-Y13 PolarHBondContact OG-N 3.41Å; S10-V14 PolarHBondContact O-N 3Å | ||
| 11 | I | 84.5 | Confident | 76.9 | Confident | 95 Ų | 95 | 77 Ų | 77 | 49% | 0.487 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -55.5 | -38 | 174 | -65.3 | 170.4 | 0 | 0 | 0 | 110.5 | Y13 V14 E15 L51 | I11-Y13 VanDerWaalsContact C-N 3.32Å; I11-Y13 PolarHBondContact O-N 2.94Å; I11-V14 PolarHBondContact O-N 3.16Å; I11-V14 VanDerWaalsContact O-N 3.14Å; I11-E15 WeakPolarHBondContact CG2-OE1 3.33Å; I11-E15 PolarHBondContact O-N 3.45Å; I11-L51 HydrophobicContact CG2-CD2 3.81Å |
| 12 | E | 86.7 | Confident | 78.6 | Confident | 125 Ų | 125 | 73.7 Ų | 73.7 | 58% | 0.584 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.4 | -37.8 | 175.7 | -64.3 | -178.9 | -177.8 | 0 | 0 | 113.4 | S10 V14 E15 K16 | S10-E12 PolarHBondContact O-N 3.44Å; E12-V14 VanDerWaalsContact C-N 3.3Å; E12-V14 PolarHBondContact O-N 3.26Å; E12-E15 PolarHBondContact O-N 3.1Å; E12-K16 WeakPolarHBondContact O-CG 3.5Å; E12-K16 PolarHBondContact O-N 2.87Å |
| 13 | Y | 88.5 | Confident | 80.3 | Confident | 146 Ų | 146 | 68.2 Ų | 68.2 | 57% | 0.573 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.9 | -41 | 176.8 | 178.2 | -88.6 | 0 | 0 | 0 | 110.8 | C9 S10 I11 K16 F17 | C9-Y13 WeakPolarHBondContact SG-CD1 3.4Å; S10-Y13 WeakPolarHBondContact O-CB 3.31Å; S10-Y13 PolarHBondContact O-N 3.29Å; S10-Y13 PolarHBondContact OG-N 3.41Å; I11-Y13 VanDerWaalsContact C-N 3.32Å; I11-Y13 PolarHBondContact O-N 2.94Å; Y13-K16 PolarHBondContact O-N 3.11Å; Y13-F17 VanDerWaalsContact O-CB 3.3Å; Y13-F17 WeakPolarHBondContact O-CB 3.42Å; Y13-F17 PolarHBondContact O-N 3.28Å |
| 14 | V | 88.9 | Confident | 81.8 | Confident | 9 Ų | 9 | 71.5 Ų | 71.5 | 6% | 0.055 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -69.6 | -40.4 | 179.4 | -173.6 | 0 | 0 | 0 | 0 | 111.3 | L4 S10 I11 E12 F17 L18 L51 | L4-V14 HydrophobicContact CD1-CG1 4.44Å; L4-V14 HydrophobicContact CD1-CG2 3.58Å; L4-V14 HydrophobicContact CD2-CG2 3.32Å; L4-V14 HydrophobicContact CG-CG2 3.85Å; S10-V14 PolarHBondContact O-N 3Å; I11-V14 PolarHBondContact O-N 3.16Å; I11-V14 VanDerWaalsContact O-N 3.14Å; E12-V14 VanDerWaalsContact C-N 3.3Å; E12-V14 PolarHBondContact O-N 3.26Å; V14-F17 WeakPolarHBondContact O-CB 2.98Å; V14-F17 PolarHBondContact O-N 3.18Å; V14-L18 HydrophobicContact CG1-CD1 4.26Å; V14-L18 HydrophobicContact CG1-CG 4.33Å; V14-L18 WeakPolarHBondContact O-CB 2.89Å; V14-L18 WeakPolarHBondContact O-CG 2.91Å; V14-L18 PolarHBondContact O-N 2.99Å; V14-L51 HydrophobicContact CG1-CD1 3.7Å |
| 15 | E | 91.9 | Very high | 83.3 | Confident | 34 Ų | 34 | 70 Ų | 70 | 16% | 0.159 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -56.8 | -51.7 | 172.4 | -75 | 173.1 | -134.7 | 0 | 0 | 111.4 | I11 E12 F17 L18 C19 K54 V57 | I11-E15 WeakPolarHBondContact CG2-OE1 3.33Å; I11-E15 PolarHBondContact O-N 3.45Å; E12-E15 PolarHBondContact O-N 3.1Å; E15-F17 PolarHBondContact O-N 3.22Å; E15-L18 PolarHBondContact O-N 3.29Å; E15-L18 VanDerWaalsContact O-N 3.17Å; E15-C19 WeakPolarHBondContact O-CB 3.01Å; E15-C19 PolarHBondContact O-N 2.84Å; E15-C19 PolarHBondContact O-SG 2.95Å; E15-K54 HydrophobicContact CG-CD 3.76Å; E15-K54 WeakPolarHBondContact OE1-CD 3.37Å; E15-K54 VanDerWaalsContact OE1-CE 3.24Å; E15-K54 WeakPolarHBondContact OE1-CE 3.31Å; E15-K54 IonicContact OE1-NZ 2.58Å; E15-K54 PolarHBondContact OE1-NZ 3.41Å; E15-V57 HydrophobicContact CB-CG2 4.14Å; E15-V57 HydrophobicContact CG-CG2 4.03Å |
| 16 | K | 92.9 | Very high | 84.6 | Confident | 150 Ų | 150 | 67.7 Ų | 67.7 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -58.5 | -39.6 | 177.3 | -73.2 | 176.5 | -176.6 | 174.7 | 0 | 111.7 | E12 Y13 G20 | E12-K16 WeakPolarHBondContact O-CG 3.5Å; E12-K16 PolarHBondContact O-N 2.87Å; Y13-K16 PolarHBondContact O-N 3.11Å; K16-G20 PolarHBondContact O-N 3.42Å |
| 17 | F | 92.5 | Very high | 85.3 | Confident | 84 Ų | 84 | 69 Ų | 69 | 37% | 0.368 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -65 | -45.5 | 176.5 | 177.1 | -99.7 | 0 | 0 | 0 | 112.2 | Y13 V14 E15 G20 I21 L40 | Y13-F17 VanDerWaalsContact O-CB 3.3Å; Y13-F17 WeakPolarHBondContact O-CB 3.42Å; Y13-F17 PolarHBondContact O-N 3.28Å; V14-F17 WeakPolarHBondContact O-CB 2.98Å; V14-F17 PolarHBondContact O-N 3.18Å; E15-F17 PolarHBondContact O-N 3.22Å; F17-G20 PolarHBondContact O-N 3.48Å; F17-I21 HydrophobicContact CD1-CD1 4.05Å; F17-I21 HydrophobicContact CE1-CD1 3.47Å; F17-I21 VanDerWaalsContact CE1-CD1 3.47Å; F17-I21 HydrophobicContact CE1-CG1 4.35Å; F17-I21 HydrophobicContact CZ-CD1 3.82Å; F17-I21 HydrophobicContact CZ-CG1 4.38Å; F17-I21 WeakPolarHBondContact O-CG1 3.38Å; F17-I21 PolarHBondContact O-N 3.34Å; F17-L40 HydrophobicContact CE1-CD2 3.52Å; F17-L40 HydrophobicContact CZ-CD2 3.7Å |
| 18 | L | 95 | Very high | 85.6 | Confident | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.1 | -44.9 | 176.1 | -71.6 | 176.7 | 0 | 0 | 0 | 111.7 | V14 E15 G20 I21 A22 L41 L51 F52 V57 F61 | V14-L18 HydrophobicContact CG1-CD1 4.26Å; V14-L18 HydrophobicContact CG1-CG 4.33Å; V14-L18 WeakPolarHBondContact O-CB 2.89Å; V14-L18 WeakPolarHBondContact O-CG 2.91Å; V14-L18 PolarHBondContact O-N 2.99Å; E15-L18 PolarHBondContact O-N 3.29Å; E15-L18 VanDerWaalsContact O-N 3.17Å; L18-G20 VanDerWaalsContact C-N 3.28Å; L18-G20 PolarHBondContact O-N 3.27Å; L18-I21 WeakPolarHBondContact O-CB 3.23Å; L18-I21 PolarHBondContact O-N 3.47Å; L18-I21 VanDerWaalsContact O-N 3.15Å; L18-A22 PolarHBondContact O-N 3.41Å; L18-L41 HydrophobicContact CD2-CD2 3.73Å; L18-L51 HydrophobicContact CD1-CB 4.01Å; L18-F52 HydrophobicContact CD1-CE1 4.48Å; L18-F52 HydrophobicContact CD1-CE2 4.49Å; L18-F52 HydrophobicContact CD1-CZ 4.31Å; L18-F52 HydrophobicContact CD2-CE1 4.27Å; L18-F52 HydrophobicContact CD2-CZ 3.94Å; L18-V57 HydrophobicContact CB-CG1 4.07Å; L18-V57 HydrophobicContact CB-CG2 4.36Å; L18-V57 HydrophobicContact CD1-CG1 4.07Å; L18-V57 HydrophobicContact CD1-CG2 4.47Å; L18-F61 HydrophobicContact CB-CE2 4.29Å |
| 19 | C | 94.6 | Very high | 85.6 | Confident | 38 Ų | 38 | 69.5 Ų | 69.5 | 26% | 0.257 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.1 | -37.8 | 173.4 | -66.7 | 0 | 0 | 0 | 0 | 111.6 | E15 I21 A22 G23 | E15-C19 WeakPolarHBondContact O-CB 3.01Å; E15-C19 PolarHBondContact O-N 2.84Å; E15-C19 PolarHBondContact O-SG 2.95Å; C19-I21 VanDerWaalsContact C-N 3.34Å; C19-I21 PolarHBondContact O-N 3.42Å; C19-A22 PolarHBondContact O-N 3.31Å; C19-G23 PolarHBondContact O-N 2.88Å |
| 20 | G | 92.6 | Very high | 85.2 | Confident | 44 Ų | 44 | 70.1 Ų | 70.1 | 45% | 0.454 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | K16 F17 L18 R24 | K16-G20 PolarHBondContact O-N 3.42Å; F17-G20 PolarHBondContact O-N 3.48Å; L18-G20 VanDerWaalsContact C-N 3.28Å; L18-G20 PolarHBondContact O-N 3.27Å; G20-R24 WeakPolarHBondContact O-CB 3.37Å; G20-R24 PolarHBondContact O-N 2.92Å |
| 21 | I | 92.4 | Very high | 84.5 | Confident | 6 Ų | 6 | 67.4 Ų | 67.4 | 3% | 0.031 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64 | -46.5 | 172.5 | -66.5 | 170.7 | 0 | 0 | 0 | 110.6 | F17 L18 C19 G23 R24 F25 L37 L40 L41 F61 | F17-I21 HydrophobicContact CD1-CD1 4.05Å; F17-I21 HydrophobicContact CE1-CD1 3.47Å; F17-I21 VanDerWaalsContact CE1-CD1 3.47Å; F17-I21 HydrophobicContact CE1-CG1 4.35Å; F17-I21 HydrophobicContact CZ-CD1 3.82Å; F17-I21 HydrophobicContact CZ-CG1 4.38Å; F17-I21 WeakPolarHBondContact O-CG1 3.38Å; F17-I21 PolarHBondContact O-N 3.34Å; L18-I21 WeakPolarHBondContact O-CB 3.23Å; L18-I21 PolarHBondContact O-N 3.47Å; L18-I21 VanDerWaalsContact O-N 3.15Å; C19-I21 VanDerWaalsContact C-N 3.34Å; C19-I21 PolarHBondContact O-N 3.42Å; I21-G23 PolarHBondContact O-N 3.43Å; I21-R24 PolarHBondContact O-N 3.07Å; I21-F25 HydrophobicContact CG2-CD2 3.98Å; I21-F25 HydrophobicContact CG2-CE2 3.45Å; I21-F25 VanDerWaalsContact CG2-CE2 3.45Å; I21-F25 HydrophobicContact CG2-CZ 3.81Å; I21-F25 PolarHBondContact O-N 3.27Å; I21-L37 HydrophobicContact CD1-CD2 4.2Å; I21-L37 HydrophobicContact CG1-CD2 4.25Å; I21-L40 HydrophobicContact CD1-CD2 4.46Å; I21-L41 HydrophobicContact CD1-CD2 4.19Å; I21-L41 HydrophobicContact CG2-CD1 3.98Å; I21-L41 HydrophobicContact CG2-CD2 4.31Å; I21-L41 HydrophobicContact CG2-CG 4.39Å; I21-F61 HydrophobicContact CG2-CZ 4.44Å |
| 22 | A | 92.2 | Very high | 83.8 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -61.1 | -43 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L18 C19 R24 F25 R26 A60 F61 L64 | L18-A22 PolarHBondContact O-N 3.41Å; C19-A22 PolarHBondContact O-N 3.31Å; A22-R24 PolarHBondContact O-N 2.96Å; A22-F25 PolarHBondContact O-N 3Å; A22-R26 PolarHBondContact O-N 3.28Å; A22-R26 VanDerWaalsContact O-N 3.09Å; A22-A60 HydrophobicContact CB-CB 3.73Å; A22-F61 HydrophobicContact CB-CD1 4.05Å; A22-F61 HydrophobicContact CB-CD2 4.25Å; A22-F61 HydrophobicContact CB-CE1 3.91Å; A22-F61 HydrophobicContact CB-CE2 4.11Å; A22-F61 HydrophobicContact CB-CG 4.21Å; A22-F61 HydrophobicContact CB-CZ 3.93Å; A22-L64 HydrophobicContact CB-CD1 4.19Å |
| 23 | G | 90 | Very high | 83.1 | Confident | 23 Ų | 23 | 63.2 Ų | 63.2 | 24% | 0.237 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -58.9 | -45.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | C19 I21 F25 R26 E27 | C19-G23 PolarHBondContact O-N 2.88Å; I21-G23 PolarHBondContact O-N 3.43Å; G23-F25 VanDerWaalsContact C-N 3.3Å; G23-F25 PolarHBondContact O-N 3.43Å; G23-R26 WeakPolarHBondContact O-CB 3.24Å; G23-R26 PolarHBondContact O-N 3.21Å; G23-E27 PolarHBondContact O-N 2.88Å |
| 24 | R | 87.7 | Confident | 82.8 | Confident | 130 Ų | 130 | 58.5 Ų | 58.5 | 49% | 0.491 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -60.2 | -37.2 | 176.3 | -174.7 | 176.9 | 176.6 | 139.8 | -5.3 | 112.7 | G20 I21 A22 R28 E34 | G20-R24 WeakPolarHBondContact O-CB 3.37Å; G20-R24 PolarHBondContact O-N 2.92Å; I21-R24 PolarHBondContact O-N 3.07Å; A22-R24 PolarHBondContact O-N 2.96Å; R24-R28 WeakPolarHBondContact O-CB 3.45Å; R24-R28 PolarHBondContact O-N 3.21Å; R24-E34 IonicContact CZ-OE1 2.71Å; R24-E34 IonicContact CZ-OE2 3.19Å; R24-E34 IonicContact NE-OE1 3.88Å; R24-E34 PolarHBondContact NE-OE1 3.08Å; R24-E34 IonicContact NE-OE2 2.89Å; R24-E34 VanDerWaalsContact NH2-CD 3.33Å; R24-E34 IonicContact NH2-OE1 2.66Å; R24-E34 PolarHBondContact NH2-OE1 3.04Å; R24-E34 IonicContact NH2-OE2 3.95Å; R24-E34 PolarHBondContact NH2-OE2 2.87Å |
| 25 | F | 87.5 | Confident | 82.7 | Confident | 2 Ų | 2 | 63.4 Ų | 63.4 | 1% | 0.009 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70 | -32.2 | 174.9 | -67.8 | -35.3 | 0 | 0 | 0 | 113.3 | I21 A22 G23 L37 L41 L64 L81 | I21-F25 HydrophobicContact CG2-CD2 3.98Å; I21-F25 HydrophobicContact CG2-CE2 3.45Å; I21-F25 VanDerWaalsContact CG2-CE2 3.45Å; I21-F25 HydrophobicContact CG2-CZ 3.81Å; I21-F25 PolarHBondContact O-N 3.27Å; A22-F25 PolarHBondContact O-N 3Å; G23-F25 VanDerWaalsContact C-N 3.3Å; G23-F25 PolarHBondContact O-N 3.43Å; F25-L37 HydrophobicContact CE1-CD1 4.46Å; F25-L37 HydrophobicContact CZ-CB 4.25Å; F25-L41 HydrophobicContact CE2-CD1 3.74Å; F25-L41 HydrophobicContact CZ-CD1 4.31Å; F25-L64 HydrophobicContact CB-CD1 4.08Å; F25-L64 HydrophobicContact CB-CD2 4.49Å; F25-L64 HydrophobicContact CD2-CD1 4.38Å; F25-L81 HydrophobicContact CB-CD1 4.14Å; F25-L81 HydrophobicContact CB-CD2 3.94Å; F25-L81 HydrophobicContact CD1-CD1 4.2Å; F25-L81 HydrophobicContact CD2-CD1 3.59Å; F25-L81 HydrophobicContact CE2-CD1 3.92Å; F25-L81 HydrophobicContact CG-CD1 3.74Å; F25-L81 HydrophobicContact CG-CD2 4.42Å; F25-L81 HydrophobicContact CZ-CD1 4.39Å |
| 26 | R | 84.3 | Confident | 82.6 | Confident | 121 Ų | 121 | 69.3 Ų | 69.3 | 46% | 0.457 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -70.1 | -44.1 | 177.8 | -168.1 | -177.6 | -57.4 | -157.4 | -4.2 | 112.7 | A22 G23 R28 A60 E63 L64 | A22-R26 PolarHBondContact O-N 3.28Å; A22-R26 VanDerWaalsContact O-N 3.09Å; G23-R26 WeakPolarHBondContact O-CB 3.24Å; G23-R26 PolarHBondContact O-N 3.21Å; R26-R28 VanDerWaalsContact C-N 3.34Å; R26-A60 PolarHBondContact NH2-O 3.35Å; R26-E63 IonicContact CZ-OE2 3.38Å; R26-E63 IonicContact NH1-OE2 2.59Å; R26-E63 PolarHBondContact NH1-OE2 3.34Å; R26-E63 IonicContact NH2-OE2 2.75Å; R26-E63 PolarHBondContact NH2-OE2 3.5Å; R26-L64 HydrophobicContact CB-CD2 3.94Å; R26-L64 HydrophobicContact CG-CD2 4.42Å |
| 27 | E | 79.3 | Confident | 82.4 | Confident | 166 Ų | 166 | 63.2 Ų | 63.2 | 78% | 0.776 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -73 | -27.5 | -176.5 | -70.2 | 174.5 | -176.3 | 0 | 0 | 112.8 | G23 S29 | G23-E27 PolarHBondContact O-N 2.88Å; E27-S29 PolarHBondContact O-N 2.94Å |
| 28 | R | 66.6 | Low | 82.4 | Confident | 100 Ų | 100 | 60.1 Ų | 60.1 | 38% | 0.377 | 32% | 0.319 | S | S | . | . | trans | -76.9 | 110.4 | -174.7 | -155.5 | 178 | -172.3 | -149.5 | 1.9 | 110.1 | R24 R26 S30 F31 H32 | R24-R28 WeakPolarHBondContact O-CB 3.45Å; R24-R28 PolarHBondContact O-N 3.21Å; R26-R28 VanDerWaalsContact C-N 3.34Å; R28-S30 PolarHBondContact O-N 3.33Å; R28-F31 PolarHBondContact O-N 3.46Å; R28-H32 PolarHBondContact NH1-O 2.85Å | ||
| 29 | S | 58.8 | Low | 82.3 | Confident | 91 Ų | 91 | 62.5 Ų | 62.5 | 64% | 0.636 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.6 | -26 | 176.7 | -20.3 | 0 | 0 | 0 | 0 | 113.4 | E27 | E27-S29 PolarHBondContact O-N 2.94Š|
| 30 | S | 61 | Low | 82.2 | Confident | 41 Ų | 41 | 63 Ų | 63 | 29% | 0.287 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -17 | -177.2 | 161.9 | 0 | 0 | 0 | 0 | 114 | R28 H32 A77 | R28-S30 PolarHBondContact O-N 3.33Å; S30-H32 PolarHBondContact O-N 3.24Å; S30-H32 PolarHBondContact OG-CD2 3.39Å; S30-A77 WeakPolarHBondContact O-CB 3.27Å |
| 31 | F | 66.1 | Low | 82.3 | Confident | 10 Ų | 10 | 61 Ų | 61 | 4% | 0.044 | 32% | 0.318 | C | S | . | . | trans | 50.5 | 7.5 | -174.8 | -62.7 | -83.5 | 0 | 0 | 0 | 116.1 | R28 P33 V70 A77 H78 L81 | R28-F31 PolarHBondContact O-N 3.46Å; F31-P33 WeakPolarHBondContact O-CD 3.23Å; F31-P33 VanDerWaalsContact O-N 3.13Å; F31-V70 HydrophobicContact CE2-CB 4.47Å; F31-V70 HydrophobicContact CE2-CG2 3.91Å; F31-V70 HydrophobicContact CZ-CG2 4.1Å; F31-A77 HydrophobicContact CB-CB 4.13Å; F31-H78 HydrophobicContact CB-CB 4.17Å; F31-H78 HydrophobicContact CD1-CB 4.46Å; F31-H78 AromaticContact CD1-CD2 4Å; F31-H78 HydrophobicContact CD2-CB 4.12Å; F31-H78 AromaticContact CE1-CD2 3.9Å; F31-H78 HydrophobicContact CG-CB 4Å; F31-L81 HydrophobicContact CB-CD2 4.42Å; F31-L81 HydrophobicContact CD1-CD2 3.83Å | ||
| 32 | H | 70.1 | Confident | 82.4 | Confident | 101 Ų | 101 | 63 Ų | 63 | 47% | 0.468 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 118.1 | -175.5 | -86 | -40.9 | 0 | 0 | 0 | 110.6 | R28 S30 E34 A77 | R28-H32 PolarHBondContact NH1-O 2.85Å; S30-H32 PolarHBondContact O-N 3.24Å; S30-H32 PolarHBondContact OG-CD2 3.39Å; H32-E34 PolarHBondContact O-N 3.49Å; H32-A77 WeakPolarHBondContact ND1-CB 3.11Å |
| 33 | P | 71.6 | Confident | 82.5 | Confident | 32 Ų | 32 | 67.6 Ų | 67.6 | 21% | 0.208 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 119.3 | 172.9 | 24.5 | -29.7 | 0 | 0 | 0 | 108.8 | F31 S38 N80 L84 | F31-P33 WeakPolarHBondContact O-CD 3.23Å; F31-P33 VanDerWaalsContact O-N 3.13Å; P33-S38 WeakPolarHBondContact CB-OG 3.46Å; P33-N80 HydrophobicContact CG-CB 4.18Å; P33-L84 HydrophobicContact CB-CD2 4.02Å |
| 34 | E | 82 | Confident | 82.7 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 123.9 | 175.8 | -71.3 | 178.4 | -150.1 | 0 | 0 | 109.1 | R24 H32 M36 L37 S38 | R24-E34 IonicContact CZ-OE1 2.71Å; R24-E34 IonicContact CZ-OE2 3.19Å; R24-E34 IonicContact NE-OE1 3.88Å; R24-E34 PolarHBondContact NE-OE1 3.08Å; R24-E34 IonicContact NE-OE2 2.89Å; R24-E34 VanDerWaalsContact NH2-CD 3.33Å; R24-E34 IonicContact NH2-OE1 2.66Å; R24-E34 PolarHBondContact NH2-OE1 3.04Å; R24-E34 IonicContact NH2-OE2 3.95Å; R24-E34 PolarHBondContact NH2-OE2 2.87Å; H32-E34 PolarHBondContact O-N 3.49Å; E34-M36 PolarHBondContact O-N 3.48Å; E34-L37 HydrophobicContact CB-CB 4.18Å; E34-L37 HydrophobicContact CB-CD1 4.07Å; E34-L37 HydrophobicContact CB-CG 4.08Å; E34-L37 HydrophobicContact CG-CD1 4.43Å; E34-L37 PolarHBondContact O-N 3.11Å; E34-S38 PolarHBondContact O-N 3Å; E34-S38 PolarHBondContact O-OG 2.98Å; E34-S38 VanDerWaalsContact O-OG 3.1Å |
| 35 | P | 87.8 | Confident | 83 | Confident | 113 Ų | 113 | 60.5 Ų | 60.5 | 73% | 0.734 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -52.8 | -39.7 | -170.5 | -30.3 | 35 | 0 | 0 | 0 | 114.3 | A39 | P35-A39 WeakPolarHBondContact O-CB 3.47Å; P35-A39 PolarHBondContact O-N 3.16Å |
| 36 | M | 89.1 | Confident | 83.4 | Confident | 158 Ų | 158 | 67.5 Ų | 67.5 | 78% | 0.778 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -69.8 | -40.6 | 179.3 | -169.1 | 168.5 | 72.7 | 0 | 0 | 112.5 | E34 L40 | E34-M36 PolarHBondContact O-N 3.48Å; M36-L40 WeakPolarHBondContact O-CB 3.27Å; M36-L40 PolarHBondContact O-N 2.99Å |
| 37 | L | 90 | Very high | 83.8 | Confident | 22 Ų | 22 | 64.9 Ų | 64.9 | 12% | 0.115 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.8 | -40.6 | 175.9 | -64.5 | -177.7 | 0 | 0 | 0 | 110.8 | I21 F25 E34 L40 L41 | I21-L37 HydrophobicContact CD1-CD2 4.2Å; I21-L37 HydrophobicContact CG1-CD2 4.25Å; F25-L37 HydrophobicContact CE1-CD1 4.46Å; F25-L37 HydrophobicContact CZ-CB 4.25Å; E34-L37 HydrophobicContact CB-CB 4.18Å; E34-L37 HydrophobicContact CB-CD1 4.07Å; E34-L37 HydrophobicContact CB-CG 4.08Å; E34-L37 HydrophobicContact CG-CD1 4.43Å; E34-L37 PolarHBondContact O-N 3.11Å; L37-L40 WeakPolarHBondContact O-CB 3.35Å; L37-L40 PolarHBondContact O-N 3.35Å; L37-L41 WeakPolarHBondContact O-CG 3.38Å; L37-L41 PolarHBondContact O-N 2.8Å |
| 38 | S | 91.8 | Very high | 84.5 | Confident | 18 Ų | 18 | 59.5 Ų | 59.5 | 13% | 0.126 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -62.2 | -46.6 | 176 | -55 | 0 | 0 | 0 | 0 | 112.2 | P33 E34 L40 L41 C42 L84 | P33-S38 WeakPolarHBondContact CB-OG 3.46Å; E34-S38 PolarHBondContact O-N 3Å; E34-S38 PolarHBondContact O-OG 2.98Å; E34-S38 VanDerWaalsContact O-OG 3.1Å; S38-L40 VanDerWaalsContact C-N 3.31Å; S38-L40 PolarHBondContact O-N 2.85Å; S38-L41 PolarHBondContact O-N 3.24Å; S38-C42 PolarHBondContact O-N 3.15Å; S38-C42 PolarHBondContact O-SG 3.45Å; S38-C42 VanDerWaalsContact O-SG 3.34Å; S38-L84 VanDerWaalsContact OG-CD2 3.25Å; S38-L84 WeakPolarHBondContact OG-CD2 3.32Å |
| 39 | A | 92.5 | Very high | 85.9 | Confident | 51 Ų | 51 | 56.3 Ų | 56.3 | 42% | 0.421 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P35 C42 I43 | P35-A39 WeakPolarHBondContact O-CB 3.47Å; P35-A39 PolarHBondContact O-N 3.16Å; A39-C42 PolarHBondContact O-N 3.3Å; A39-I43 VanDerWaalsContact O-CG1 3.3Å; A39-I43 WeakPolarHBondContact O-CG1 3.47Å; A39-I43 PolarHBondContact O-N 3.15Å |
| 40 | L | 92.5 | Very high | 87.6 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 176.6 | -178.9 | 59.8 | 0 | 0 | 0 | 111.8 | F17 I21 M36 L37 S38 C42 I43 C44 | F17-L40 HydrophobicContact CE1-CD2 3.52Å; F17-L40 HydrophobicContact CZ-CD2 3.7Å; I21-L40 HydrophobicContact CD1-CD2 4.46Å; M36-L40 WeakPolarHBondContact O-CB 3.27Å; M36-L40 PolarHBondContact O-N 2.99Å; L37-L40 WeakPolarHBondContact O-CB 3.35Å; L37-L40 PolarHBondContact O-N 3.35Å; S38-L40 VanDerWaalsContact C-N 3.31Å; S38-L40 PolarHBondContact O-N 2.85Å; L40-C42 VanDerWaalsContact C-N 3.33Å; L40-C42 PolarHBondContact O-N 3.38Å; L40-I43 PolarHBondContact O-N 3.01Å; L40-C44 WeakPolarHBondContact O-CB 3.48Å; L40-C44 PolarHBondContact O-N 2.52Å; L40-C44 PolarHBondContact O-SG 3.39Å |
| 41 | L | 95.2 | Very high | 89.2 | Confident | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -58.7 | -44.3 | 177.1 | -70.7 | 175.4 | 0 | 0 | 0 | 111.9 | L18 I21 F25 L37 S38 I43 C44 A45 F52 F61 L84 V88 | L18-L41 HydrophobicContact CD2-CD2 3.73Å; I21-L41 HydrophobicContact CD1-CD2 4.19Å; I21-L41 HydrophobicContact CG2-CD1 3.98Å; I21-L41 HydrophobicContact CG2-CD2 4.31Å; I21-L41 HydrophobicContact CG2-CG 4.39Å; F25-L41 HydrophobicContact CE2-CD1 3.74Å; F25-L41 HydrophobicContact CZ-CD1 4.31Å; L37-L41 WeakPolarHBondContact O-CG 3.38Å; L37-L41 PolarHBondContact O-N 2.8Å; S38-L41 PolarHBondContact O-N 3.24Å; L41-I43 PolarHBondContact O-N 3.39Å; L41-C44 PolarHBondContact O-N 3.42Å; L41-A45 WeakPolarHBondContact O-CB 3.34Å; L41-A45 PolarHBondContact O-N 3.13Å; L41-F52 HydrophobicContact CD2-CE1 3.99Å; L41-F52 HydrophobicContact CD2-CZ 3.92Å; L41-F61 HydrophobicContact CD1-CE1 3.99Å; L41-F61 HydrophobicContact CD1-CZ 4.24Å; L41-F61 HydrophobicContact CD2-CE1 4.24Å; L41-F61 HydrophobicContact CD2-CE2 4.48Å; L41-F61 HydrophobicContact CD2-CZ 3.67Å; L41-L84 HydrophobicContact CD1-CD2 4.3Å; L41-V88 HydrophobicContact CB-CG2 4Å |
| 42 | C | 95 | Very high | 90.7 | Very high | 48 Ų | 48 | 55.1 Ų | 55.1 | 32% | 0.324 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 176.4 | -69.8 | 0 | 0 | 0 | 0 | 112.5 | S38 A39 L40 A45 K46 | S38-C42 PolarHBondContact O-N 3.15Å; S38-C42 PolarHBondContact O-SG 3.45Å; S38-C42 VanDerWaalsContact O-SG 3.34Å; A39-C42 PolarHBondContact O-N 3.3Å; L40-C42 VanDerWaalsContact C-N 3.33Å; L40-C42 PolarHBondContact O-N 3.38Å; C42-A45 PolarHBondContact O-N 2.97Å; C42-K46 WeakPolarHBondContact O-CG 3.41Å; C42-K46 PolarHBondContact O-N 2.92Å; C42-K46 VanDerWaalsContact O-N 3.14Å |
| 43 | I | 93.9 | Very high | 91.9 | Very high | 96 Ų | 96 | 53.2 Ų | 53.2 | 49% | 0.492 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.9 | -43 | 176.9 | -68.5 | 165.6 | 0 | 0 | 0 | 110.6 | A39 L40 L41 K46 S47 | A39-I43 VanDerWaalsContact O-CG1 3.3Å; A39-I43 WeakPolarHBondContact O-CG1 3.47Å; A39-I43 PolarHBondContact O-N 3.15Å; L40-I43 PolarHBondContact O-N 3.01Å; L41-I43 PolarHBondContact O-N 3.39Å; I43-K46 PolarHBondContact O-N 3.29Å; I43-S47 VanDerWaalsContact O-CB 3.29Å; I43-S47 WeakPolarHBondContact O-CB 3.41Å; I43-S47 PolarHBondContact O-N 2.85Å; I43-S47 PolarHBondContact O-OG 3.01Å |
| 44 | C | 93.5 | Very high | 93.1 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 176.5 | -69 | 0 | 0 | 0 | 0 | 111 | M1 L40 L41 K46 S47 Y48 F52 | M1-C44 HydrophobicContact CE-CB 4.47Å; L40-C44 WeakPolarHBondContact O-CB 3.48Å; L40-C44 PolarHBondContact O-N 2.52Å; L40-C44 PolarHBondContact O-SG 3.39Å; L41-C44 PolarHBondContact O-N 3.42Å; C44-K46 PolarHBondContact O-N 3.48Å; C44-S47 PolarHBondContact O-N 3.45Å; C44-Y48 CarbonylContact O-C 3.59Å; C44-Y48 WeakPolarHBondContact O-CA 3.26Å; C44-Y48 PolarHBondContact O-N 3.23Å; C44-F52 HydrophobicContact CB-CE2 3.64Å; C44-F52 HydrophobicContact CB-CZ 3.94Å |
| 45 | A | 95.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.008 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.9 | -43.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L41 C42 P49 F52 V88 E91 | L41-A45 WeakPolarHBondContact O-CB 3.34Å; L41-A45 PolarHBondContact O-N 3.13Å; C42-A45 PolarHBondContact O-N 2.97Å; A45-P49 WeakPolarHBondContact O-CA 3.39Å; A45-P49 WeakPolarHBondContact O-CB 3.16Å; A45-F52 HydrophobicContact CB-CD2 4.24Å; A45-F52 HydrophobicContact CB-CE2 3.96Å; A45-V88 HydrophobicContact CB-CB 4.43Å; A45-V88 HydrophobicContact CB-CG1 4.08Å; A45-V88 HydrophobicContact CB-CG2 4.44Å; A45-E91 HydrophobicContact CB-CB 4.17Å; A45-E91 HydrophobicContact CB-CG 4.14Å |
| 46 | K | 94.8 | Very high | 94.1 | Very high | 149 Ų | 149 | 55.7 Ų | 55.7 | 65% | 0.648 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -65.6 | -37.7 | 176.9 | -73.7 | -176.7 | 175.8 | -173.5 | 0 | 113.5 | C42 I43 C44 E91 | C42-K46 WeakPolarHBondContact O-CG 3.41Å; C42-K46 PolarHBondContact O-N 2.92Å; C42-K46 VanDerWaalsContact O-N 3.14Å; I43-K46 PolarHBondContact O-N 3.29Å; C44-K46 PolarHBondContact O-N 3.48Å; K46-E91 HydrophobicContact CB-CG 4.45Å; K46-E91 HydrophobicContact CG-CG 3.78Å |
| 47 | S | 93.1 | Very high | 94.5 | Very high | 67 Ų | 67 | 48.1 Ų | 48.1 | 47% | 0.469 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -94.5 | -27.9 | -170.1 | -52.8 | 0 | 0 | 0 | 0 | 113.3 | I43 C44 | I43-S47 VanDerWaalsContact O-CB 3.29Å; I43-S47 WeakPolarHBondContact O-CB 3.41Å; I43-S47 PolarHBondContact O-N 2.85Å; I43-S47 PolarHBondContact O-OG 3.01Å; C44-S47 PolarHBondContact O-N 3.45Å |
| 48 | Y | 93.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 48.7 Ų | 48.7 | 21% | 0.208 | 26% | 0.263 | C | S | . | . | trans | -146 | 61.2 | -172.6 | -53.7 | -83.6 | 0 | 0 | 0 | 110.6 | M1 K5 C44 D50 L51 | M1-Y48 HydrophobicContact CE-CD2 3.25Å; M1-Y48 HydrophobicContact CE-CE2 3.27Å; M1-Y48 HydrophobicContact CE-CG 4.33Å; K5-Y48 VanDerWaalsContact CE-OH 3.29Å; K5-Y48 WeakPolarHBondContact CE-OH 3.36Å; C44-Y48 CarbonylContact O-C 3.59Å; C44-Y48 WeakPolarHBondContact O-CA 3.26Å; C44-Y48 PolarHBondContact O-N 3.23Å; Y48-D50 PolarHBondContact O-N 2.89Å; Y48-D50 VanDerWaalsContact O-N 3.16Å; Y48-L51 HydrophobicContact CG-CD1 4.26Å; Y48-L51 WeakPolarHBondContact O-CB 3.4Å; Y48-L51 PolarHBondContact O-N 2.89Å; Y48-L51 VanDerWaalsContact O-N 3.09Å | ||
| 49 | P | 95.8 | Very high | 95 | Very high | 33 Ų | 33 | 52.8 Ų | 52.8 | 21% | 0.214 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.2 | -29 | -175.7 | 27.3 | -37.1 | 0 | 0 | 0 | 112.5 | A45 L51 F52 R53 | A45-P49 WeakPolarHBondContact O-CA 3.39Å; A45-P49 WeakPolarHBondContact O-CB 3.16Å; P49-L51 PolarHBondContact O-N 2.85Å; P49-F52 PolarHBondContact O-N 3.13Å; P49-R53 PolarHBondContact O-N 2.9Å |
| 50 | D | 95.3 | Very high | 95.1 | Very high | 101 Ų | 101 | 51 Ų | 51 | 54% | 0.54 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.7 | -32.2 | 175 | -68.8 | -73.6 | 0 | 0 | 0 | 114.3 | Y48 F52 R53 K54 | Y48-D50 PolarHBondContact O-N 2.89Å; Y48-D50 VanDerWaalsContact O-N 3.16Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.28Å; D50-R53 PolarHBondContact O-N 3.11Å; D50-R53 VanDerWaalsContact O-N 3.16Å; D50-R53 IonicContact OD1-CZ 3.68Å; D50-R53 IonicContact OD1-NE 3.14Å; D50-R53 IonicContact OD1-NH2 2.81Å; D50-R53 PolarHBondContact OD1-NH2 3.43Å; D50-R53 IonicContact OD2-NH2 3.45Å; D50-R53 PolarHBondContact OD2-NH2 3.32Å; D50-K54 PolarHBondContact O-N 3.25Å |
| 51 | L | 95.1 | Very high | 95.3 | Very high | 15 Ų | 15 | 48.8 Ų | 48.8 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65 | -37.3 | -179.5 | -67.9 | 176.6 | 0 | 0 | 0 | 111.7 | I11 V14 L18 Y48 P49 R53 K54 V57 | I11-L51 HydrophobicContact CG2-CD2 3.81Å; V14-L51 HydrophobicContact CG1-CD1 3.7Å; L18-L51 HydrophobicContact CD1-CB 4.01Å; Y48-L51 HydrophobicContact CG-CD1 4.26Å; Y48-L51 WeakPolarHBondContact O-CB 3.4Å; Y48-L51 PolarHBondContact O-N 2.89Å; Y48-L51 VanDerWaalsContact O-N 3.09Å; P49-L51 PolarHBondContact O-N 2.85Å; L51-R53 VanDerWaalsContact C-N 3.28Å; L51-R53 PolarHBondContact O-N 3.39Å; L51-K54 PolarHBondContact O-N 3.29Å; L51-V57 WeakPolarHBondContact O-CB 3.43Å; L51-V57 WeakPolarHBondContact O-CG2 3.4Å |
| 52 | F | 96.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -73.7 | -23.1 | 177.5 | -70.9 | -85.2 | 0 | 0 | 0 | 112.4 | L18 L41 C44 A45 P49 D50 K54 V57 F58 F61 V88 S92 W93 | L18-F52 HydrophobicContact CD1-CE1 4.48Å; L18-F52 HydrophobicContact CD1-CE2 4.49Å; L18-F52 HydrophobicContact CD1-CZ 4.31Å; L18-F52 HydrophobicContact CD2-CE1 4.27Å; L18-F52 HydrophobicContact CD2-CZ 3.94Å; L41-F52 HydrophobicContact CD2-CE1 3.99Å; L41-F52 HydrophobicContact CD2-CZ 3.92Å; C44-F52 HydrophobicContact CB-CE2 3.64Å; C44-F52 HydrophobicContact CB-CZ 3.94Å; A45-F52 HydrophobicContact CB-CD2 4.24Å; A45-F52 HydrophobicContact CB-CE2 3.96Å; P49-F52 PolarHBondContact O-N 3.13Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3.28Å; F52-K54 VanDerWaalsContact C-N 3.32Å; F52-V57 HydrophobicContact CD1-CG1 4.03Å; F52-F58 WeakPolarHBondContact O-CB 3.3Å; F52-F61 HydrophobicContact CD1-CD2 4.29Å; F52-F61 HydrophobicContact CD1-CE2 4.31Å; F52-F61 HydrophobicContact CE1-CD2 4.33Å; F52-F61 AromaticContact CE1-CE2 3.95Å; F52-F61 HydrophobicContact CE1-CE2 3.95Å; F52-F61 HydrophobicContact CE1-CZ 4.36Å; F52-V88 HydrophobicContact CD1-CG1 3.52Å; F52-V88 HydrophobicContact CD2-CG1 4.42Å; F52-V88 HydrophobicContact CE1-CG1 3.41Å; F52-V88 VanDerWaalsContact CE1-CG1 3.41Å; F52-V88 HydrophobicContact CE2-CG1 4.34Å; F52-V88 HydrophobicContact CG-CG1 4.04Å; F52-V88 HydrophobicContact CZ-CG1 3.84Å; F52-S92 WeakPolarHBondContact CB-OG 3.29Å; F52-W93 HydrophobicContact CB-CZ3 4.1Å; F52-W93 WeakPolarHBondContact O-CH2 3.42Å |
| 53 | R | 96.2 | Very high | 95 | Very high | 62 Ų | 62 | 51.4 Ų | 51.4 | 23% | 0.234 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -79.8 | -10 | 177.5 | -61.2 | -165 | -72.5 | -100 | 7.7 | 114.2 | P49 D50 L51 S92 W93 | P49-R53 PolarHBondContact O-N 2.9Å; D50-R53 PolarHBondContact O-N 3.11Å; D50-R53 VanDerWaalsContact O-N 3.16Å; D50-R53 IonicContact OD1-CZ 3.68Å; D50-R53 IonicContact OD1-NE 3.14Å; D50-R53 IonicContact OD1-NH2 2.81Å; D50-R53 PolarHBondContact OD1-NH2 3.43Å; D50-R53 IonicContact OD2-NH2 3.45Å; D50-R53 PolarHBondContact OD2-NH2 3.32Å; L51-R53 VanDerWaalsContact C-N 3.28Å; L51-R53 PolarHBondContact O-N 3.39Å; R53-S92 PolarHBondContact NH1-O 3.43Å; R53-W93 HydrophobicContact CB-CH2 4.16Å; R53-W93 HydrophobicContact CB-CZ2 4.01Å; R53-W93 HydrophobicContact CG-CD2 4.03Å; R53-W93 HydrophobicContact CG-CE3 4.14Å; R53-W93 HydrophobicContact CG-CH2 3.78Å; R53-W93 HydrophobicContact CG-CZ2 3.64Å; R53-W93 HydrophobicContact CG-CZ3 3.99Å |
| 54 | K | 95.8 | Very high | 94.9 | Very high | 76 Ų | 76 | 46.9 Ų | 46.9 | 33% | 0.33 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -66.6 | 135.9 | 173.2 | -66.9 | -165.1 | 171 | -153.7 | 0 | 110.2 | E15 D50 L51 F52 T56 V57 F58 | E15-K54 HydrophobicContact CG-CD 3.76Å; E15-K54 WeakPolarHBondContact OE1-CD 3.37Å; E15-K54 VanDerWaalsContact OE1-CE 3.24Å; E15-K54 WeakPolarHBondContact OE1-CE 3.31Å; E15-K54 IonicContact OE1-NZ 2.58Å; E15-K54 PolarHBondContact OE1-NZ 3.41Å; D50-K54 PolarHBondContact O-N 3.25Å; L51-K54 PolarHBondContact O-N 3.29Å; F52-K54 VanDerWaalsContact C-N 3.32Å; K54-T56 VanDerWaalsContact C-N 3.3Å; K54-T56 PolarHBondContact O-N 2.78Å; K54-V57 HydrophobicContact CB-CG2 4.45Å; K54-V57 PolarHBondContact O-N 3.27Å; K54-V57 VanDerWaalsContact O-N 3.08Å; K54-F58 VanDerWaalsContact O-CB 3.31Å; K54-F58 WeakPolarHBondContact O-CB 3.48Å; K54-F58 PolarHBondContact O-N 3.31Å |
| 55 | V | 95.6 | Very high | 94.8 | Very high | 97 Ų | 97 | 47 Ų | 47 | 59% | 0.588 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -47.5 | -50.6 | -173 | 176.8 | 0 | 0 | 0 | 0 | 112.3 | V57 F58 E59 | V55-V57 PolarHBondContact O-N 3.08Å; V55-F58 PolarHBondContact O-N 3.16Å; V55-E59 HydrophobicContact CG1-CG 4.31Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.47Å; V55-E59 WeakPolarHBondContact O-CB 3.47Å; V55-E59 VanDerWaalsContact O-CG 3.24Å; V55-E59 WeakPolarHBondContact O-CG 3.47Å; V55-E59 PolarHBondContact O-N 2.75Å |
| 56 | T | 95.9 | Very high | 94.6 | Very high | 69 Ų | 69 | 51.9 Ų | 51.9 | 42% | 0.423 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | -178.2 | 50.3 | 0 | 0 | 0 | 0 | 113.5 | K54 A60 | K54-T56 VanDerWaalsContact C-N 3.3Å; K54-T56 PolarHBondContact O-N 2.78Å; T56-A60 WeakPolarHBondContact O-CB 3.09Å; T56-A60 PolarHBondContact O-N 2.8Å; T56-A60 VanDerWaalsContact O-N 3.16Å |
| 57 | V | 97 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.7 | -45.7 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 109.7 | E15 L18 L51 F52 K54 V55 A60 F61 | E15-V57 HydrophobicContact CB-CG2 4.14Å; E15-V57 HydrophobicContact CG-CG2 4.03Å; L18-V57 HydrophobicContact CB-CG1 4.07Å; L18-V57 HydrophobicContact CB-CG2 4.36Å; L18-V57 HydrophobicContact CD1-CG1 4.07Å; L18-V57 HydrophobicContact CD1-CG2 4.47Å; L51-V57 WeakPolarHBondContact O-CB 3.43Å; L51-V57 WeakPolarHBondContact O-CG2 3.4Å; F52-V57 HydrophobicContact CD1-CG1 4.03Å; K54-V57 HydrophobicContact CB-CG2 4.45Å; K54-V57 PolarHBondContact O-N 3.27Å; K54-V57 VanDerWaalsContact O-N 3.08Å; V55-V57 PolarHBondContact O-N 3.08Å; V57-A60 PolarHBondContact O-N 3.18Å; V57-F61 HydrophobicContact CG1-CD2 3.83Å; V57-F61 HydrophobicContact CG1-CE2 3.9Å; V57-F61 VanDerWaalsContact O-CD2 3.31Å; V57-F61 WeakPolarHBondContact O-CD2 3.46Å; V57-F61 PolarHBondContact O-N 3.24Å; V57-F61 VanDerWaalsContact O-N 3.14Å |
| 58 | F | 97.3 | Very high | 93.6 | Very high | 33 Ų | 33 | 48.3 Ų | 48.3 | 15% | 0.145 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.3 | -48.2 | 178.1 | 169.9 | -111.7 | 0 | 0 | 0 | 112.1 | F52 K54 V55 A60 F61 G62 M89 W93 P100 I102 F103 | F52-F58 WeakPolarHBondContact O-CB 3.3Å; K54-F58 VanDerWaalsContact O-CB 3.31Å; K54-F58 WeakPolarHBondContact O-CB 3.48Å; K54-F58 PolarHBondContact O-N 3.31Å; V55-F58 PolarHBondContact O-N 3.16Å; F58-A60 PolarHBondContact O-N 3.43Å; F58-F61 PolarHBondContact O-N 3.14Å; F58-G62 WeakPolarHBondContact O-CA 3.43Å; F58-G62 PolarHBondContact O-N 2.86Å; F58-M89 HydrophobicContact CD2-SD 4.39Å; F58-W93 HydrophobicContact CB-CH2 4.2Å; F58-W93 AromaticContact CD2-CH2 3.45Å; F58-W93 HydrophobicContact CD2-CH2 3.45Å; F58-W93 VanDerWaalsContact CD2-CH2 3.45Å; F58-W93 AromaticContact CD2-CZ2 3.77Å; F58-W93 HydrophobicContact CD2-CZ2 3.77Å; F58-W93 HydrophobicContact CD2-CZ3 4.37Å; F58-W93 HydrophobicContact CE2-CH2 4.16Å; F58-W93 HydrophobicContact CE2-CZ2 4.17Å; F58-W93 HydrophobicContact CG-CH2 4.09Å; F58-W93 HydrophobicContact CG-CZ2 4.3Å; F58-P100 HydrophobicContact CE1-CB 3.89Å; F58-P100 HydrophobicContact CE1-CG 4.14Å; F58-P100 HydrophobicContact CE2-CB 4.11Å; F58-P100 HydrophobicContact CE2-CG 3.45Å; F58-P100 VanDerWaalsContact CE2-CG 3.45Å; F58-P100 HydrophobicContact CZ-CB 3.32Å; F58-P100 HydrophobicContact CZ-CG 3.2Å; F58-I102 HydrophobicContact CE1-CG2 4.19Å; F58-I102 HydrophobicContact CE2-CG2 3.74Å; F58-I102 HydrophobicContact CZ-CB 4.17Å; F58-I102 HydrophobicContact CZ-CG2 3.22Å; F58-F103 HydrophobicContact CE2-CD1 4.38Å; F58-F103 AromaticContact CE2-CE1 3.6Å; F58-F103 HydrophobicContact CE2-CE1 3.6Å; F58-F103 AromaticContact CE2-CZ 3.84Å; F58-F103 HydrophobicContact CE2-CZ 3.84Å; F58-F103 HydrophobicContact CZ-CE1 4.45Å |
| 59 | E | 95.3 | Very high | 92.8 | Very high | 104 Ų | 104 | 47.8 Ų | 47.8 | 49% | 0.486 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -58.9 | -46.8 | 176.6 | -75.9 | 172.7 | 168.7 | 0 | 0 | 111.1 | V55 F61 G62 E63 | V55-E59 HydrophobicContact CG1-CG 4.31Å; V55-E59 WeakPolarHBondContact CG1-OE1 3.47Å; V55-E59 WeakPolarHBondContact O-CB 3.47Å; V55-E59 VanDerWaalsContact O-CG 3.24Å; V55-E59 WeakPolarHBondContact O-CG 3.47Å; V55-E59 PolarHBondContact O-N 2.75Å; E59-F61 VanDerWaalsContact C-N 3.33Å; E59-F61 PolarHBondContact O-N 3.36Å; E59-G62 PolarHBondContact O-N 2.97Å; E59-E63 WeakPolarHBondContact O-CB 3.34Å; E59-E63 VanDerWaalsContact O-CG 3.31Å; E59-E63 WeakPolarHBondContact O-CG 3.4Å; E59-E63 PolarHBondContact O-N 2.82Å |
| 60 | A | 94.5 | Very high | 91.8 | Very high | 15 Ų | 15 | 51.7 Ų | 51.7 | 12% | 0.124 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -59.2 | -41.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113 | A22 R26 T56 V57 F58 | A22-A60 HydrophobicContact CB-CB 3.73Å; R26-A60 PolarHBondContact NH2-O 3.35Å; T56-A60 WeakPolarHBondContact O-CB 3.09Å; T56-A60 PolarHBondContact O-N 2.8Å; T56-A60 VanDerWaalsContact O-N 3.16Å; V57-A60 PolarHBondContact O-N 3.18Å; F58-A60 PolarHBondContact O-N 3.43Å |
| 61 | F | 95.4 | Very high | 91 | Very high | 1 Ų | 1 | 49.9 Ų | 49.9 | 0% | 0.004 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -85.7 | -32.2 | 177.6 | -75.5 | -75.1 | 0 | 0 | 0 | 113.6 | L18 I21 A22 L41 F52 V57 F58 E59 E63 L64 I85 M89 | L18-F61 HydrophobicContact CB-CE2 4.29Å; I21-F61 HydrophobicContact CG2-CZ 4.44Å; A22-F61 HydrophobicContact CB-CD1 4.05Å; A22-F61 HydrophobicContact CB-CD2 4.25Å; A22-F61 HydrophobicContact CB-CE1 3.91Å; A22-F61 HydrophobicContact CB-CE2 4.11Å; A22-F61 HydrophobicContact CB-CG 4.21Å; A22-F61 HydrophobicContact CB-CZ 3.93Å; L41-F61 HydrophobicContact CD1-CE1 3.99Å; L41-F61 HydrophobicContact CD1-CZ 4.24Å; L41-F61 HydrophobicContact CD2-CE1 4.24Å; L41-F61 HydrophobicContact CD2-CE2 4.48Å; L41-F61 HydrophobicContact CD2-CZ 3.67Å; F52-F61 HydrophobicContact CD1-CD2 4.29Å; F52-F61 HydrophobicContact CD1-CE2 4.31Å; F52-F61 HydrophobicContact CE1-CD2 4.33Å; F52-F61 AromaticContact CE1-CE2 3.95Å; F52-F61 HydrophobicContact CE1-CE2 3.95Å; F52-F61 HydrophobicContact CE1-CZ 4.36Å; V57-F61 HydrophobicContact CG1-CD2 3.83Å; V57-F61 HydrophobicContact CG1-CE2 3.9Å; V57-F61 VanDerWaalsContact O-CD2 3.31Å; V57-F61 WeakPolarHBondContact O-CD2 3.46Å; V57-F61 PolarHBondContact O-N 3.24Å; V57-F61 VanDerWaalsContact O-N 3.14Å; F58-F61 PolarHBondContact O-N 3.14Å; E59-F61 VanDerWaalsContact C-N 3.33Å; E59-F61 PolarHBondContact O-N 3.36Å; F61-E63 VanDerWaalsContact C-N 3.34Å; F61-L64 HydrophobicContact CD1-CD1 4.12Å; F61-L64 WeakPolarHBondContact O-CB 3.01Å; F61-L64 PolarHBondContact O-N 3.41Å; F61-I85 HydrophobicContact CB-CG2 4.33Å; F61-I85 HydrophobicContact CD1-CG1 4.29Å; F61-M89 HydrophobicContact CB-CE 3.24Å; F61-M89 HydrophobicContact CG-CE 4.16Å |
| 62 | G | 93.8 | Very high | 90.1 | Very high | 3 Ų | 3 | 59 Ų | 59 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -65 | -38.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | F58 E59 L64 L65 | F58-G62 WeakPolarHBondContact O-CA 3.43Å; F58-G62 PolarHBondContact O-N 2.86Å; E59-G62 PolarHBondContact O-N 2.97Å; G62-L64 VanDerWaalsContact C-N 3.28Å; G62-L64 PolarHBondContact O-N 3.4Å; G62-L65 PolarHBondContact O-N 3.11Å |
| 63 | E | 90.6 | Very high | 89.3 | Confident | 101 Ų | 101 | 62.7 Ų | 62.7 | 47% | 0.472 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -62.2 | -33.2 | 173.4 | -74.8 | 177.5 | 176.8 | 0 | 0 | 112.9 | R26 E59 F61 L65 R66 S67 | R26-E63 IonicContact CZ-OE2 3.38Å; R26-E63 IonicContact NH1-OE2 2.59Å; R26-E63 PolarHBondContact NH1-OE2 3.34Å; R26-E63 IonicContact NH2-OE2 2.75Å; R26-E63 PolarHBondContact NH2-OE2 3.5Å; E59-E63 WeakPolarHBondContact O-CB 3.34Å; E59-E63 VanDerWaalsContact O-CG 3.31Å; E59-E63 WeakPolarHBondContact O-CG 3.4Å; E59-E63 PolarHBondContact O-N 2.82Å; F61-E63 VanDerWaalsContact C-N 3.34Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.05Å; E63-R66 CarbonylContact O-C 3.6Å; E63-R66 PolarHBondContact O-N 3.03Å; E63-S67 PolarHBondContact O-N 3.48Å; E63-S67 VanDerWaalsContact O-N 3.13Å |
| 64 | L | 92.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65 | -34.9 | 177.6 | -69.3 | 173.5 | 0 | 0 | 0 | 111.9 | A22 F25 R26 F61 G62 R66 S67 I85 | A22-L64 HydrophobicContact CB-CD1 4.19Å; F25-L64 HydrophobicContact CB-CD1 4.08Å; F25-L64 HydrophobicContact CB-CD2 4.49Å; F25-L64 HydrophobicContact CD2-CD1 4.38Å; R26-L64 HydrophobicContact CB-CD2 3.94Å; R26-L64 HydrophobicContact CG-CD2 4.42Å; F61-L64 HydrophobicContact CD1-CD1 4.12Å; F61-L64 WeakPolarHBondContact O-CB 3.01Å; F61-L64 PolarHBondContact O-N 3.41Å; G62-L64 VanDerWaalsContact C-N 3.28Å; G62-L64 PolarHBondContact O-N 3.4Å; L64-R66 PolarHBondContact O-N 3.13Å; L64-S67 WeakPolarHBondContact O-CB 3.42Å; L64-S67 PolarHBondContact O-N 3.2Å; L64-S67 PolarHBondContact O-OG 2.84Å; L64-I85 HydrophobicContact CB-CD1 3.47Å; L64-I85 VanDerWaalsContact CB-CD1 3.47Å; L64-I85 HydrophobicContact CD1-CD1 3.76Å; L64-I85 HydrophobicContact CG-CD1 4.27Å |
| 65 | L | 92.3 | Very high | 88.3 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.1 | -25.5 | 175.8 | -70.8 | 177.8 | 0 | 0 | 0 | 113.2 | G62 E63 C82 I85 A106 F126 | G62-L65 PolarHBondContact O-N 3.11Å; E63-L65 VanDerWaalsContact C-N 3.31Å; E63-L65 PolarHBondContact O-N 3.05Å; L65-C82 HydrophobicContact CD2-CB 4.13Å; L65-I85 HydrophobicContact CD1-CG2 3.95Å; L65-I85 HydrophobicContact CD2-CB 3.85Å; L65-I85 HydrophobicContact CD2-CG2 3.8Å; L65-I85 HydrophobicContact CG-CB 4.27Å; L65-I85 HydrophobicContact CG-CG2 3.67Å; L65-A106 HydrophobicContact CB-CB 3.92Å; L65-F126 HydrophobicContact CD1-CE1 4.33Å; L65-F126 HydrophobicContact CD1-CZ 4.35Å |
| 66 | R | 91.2 | Very high | 88 | Confident | 105 Ų | 105 | 59.8 Ų | 59.8 | 40% | 0.396 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 0.6 | 178.5 | -60.5 | -173.7 | 68.4 | -149.8 | 0.9 | 113.2 | E63 L64 I102 A106 D109 Y193 | E63-R66 CarbonylContact O-C 3.6Å; E63-R66 PolarHBondContact O-N 3.03Å; L64-R66 PolarHBondContact O-N 3.13Å; R66-I102 VanDerWaalsContact CD-CD1 3.4Å; R66-A106 HydrophobicContact CG-CB 3.73Å; R66-D109 IonicContact CZ-OD2 2.81Å; R66-D109 IonicContact NE-OD2 3.65Å; R66-D109 PolarHBondContact NE-OD2 3.31Å; R66-D109 IonicContact NH2-OD2 4Å; R66-D109 PolarHBondContact NH2-OD2 3.38Å; R66-Y193 PolarHBondContact NH2-OH 3.38Å; R66-Y193 VanDerWaalsContact NH2-OH 3.11Å |
| 67 | S | 86.7 | Confident | 87.6 | Confident | 37 Ų | 37 | 56.7 Ų | 56.7 | 26% | 0.259 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 150.4 | 176.9 | 72.3 | 0 | 0 | 0 | 0 | 111.1 | E63 L64 H78 | E63-S67 PolarHBondContact O-N 3.48Å; E63-S67 VanDerWaalsContact O-N 3.13Å; L64-S67 WeakPolarHBondContact O-CB 3.42Å; L64-S67 PolarHBondContact O-N 3.2Å; L64-S67 PolarHBondContact O-OG 2.84Å; S67-H78 PolarHBondContact O-CE1 3.19Å; S67-H78 VanDerWaalsContact O-CE1 3.3Å; S67-H78 PolarHBondContact O-NE2 3.47Å; S67-H78 PolarHBondContact OG-NE2 2.88Å |
| 68 | C | 79.6 | Confident | 87.3 | Confident | 103 Ų | 103 | 56.9 Ų | 56.9 | 70% | 0.696 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -101.5 | 148.6 | 175.7 | -65 | 0 | 0 | 0 | 0 | 111.1 | V70 | C68-V70 PolarHBondContact O-N 2.86Š|
| 69 | P | 75.8 | Confident | 87 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 131.9 | 173.5 | 26.3 | -32.9 | 0 | 0 | 0 | 110.7 | S71 F75 H78 | P69-S71 PolarHBondContact O-N 2.7Å; P69-F75 HydrophobicContact CG-CD2 4.06Å; P69-H78 HydrophobicContact CB-CB 4.06Å |
| 70 | V | 74.6 | Confident | 86.9 | Confident | 116 Ų | 116 | 53.1 Ų | 53.1 | 70% | 0.703 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -64.2 | -27.7 | -179.5 | -179.4 | 0 | 0 | 0 | 0 | 112.2 | F31 C68 | F31-V70 HydrophobicContact CE2-CB 4.47Å; F31-V70 HydrophobicContact CE2-CG2 3.91Å; F31-V70 HydrophobicContact CZ-CG2 4.1Å; C68-V70 PolarHBondContact O-N 2.86Å |
| 71 | S | 79.2 | Confident | 86.8 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 44% | 0.441 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -150.6 | 160.6 | 179.5 | 73.8 | 0 | 0 | 0 | 0 | 111.7 | P69 G73 S74 | P69-S71 PolarHBondContact O-N 2.7Å; S71-G73 PolarHBondContact O-N 3.5Å; S71-G73 PolarHBondContact OG-N 3.26Å; S71-S74 PolarHBondContact N-OG 3.14Å; S71-S74 PolarHBondContact O-N 3.45Å; S71-S74 PolarHBondContact O-OG 2.92Å; S71-S74 PolarHBondContact OG-N 2.66Å; S71-S74 PolarHBondContact OG-OG 3.08Å |
| 72 | K | 76.6 | Confident | 86.8 | Confident | 206 Ų | 206 | 52.4 Ų | 52.4 | 90% | 0.896 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -57.3 | -32.7 | 173.1 | -69.1 | -175 | 177 | -177.6 | 0 | 112.6 | S74 F75 | K72-S74 VanDerWaalsContact C-N 3.27Å; K72-S74 PolarHBondContact O-N 2.9Å; K72-F75 WeakPolarHBondContact O-CB 3.06Å; K72-F75 PolarHBondContact O-N 2.84Å |
| 73 | G | 80.4 | Confident | 86.9 | Confident | 78 Ų | 78 | 52.6 Ų | 52.6 | 80% | 0.804 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -69.3 | -21.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | S71 | S71-G73 PolarHBondContact O-N 3.5Å; S71-G73 PolarHBondContact OG-N 3.26Å |
| 74 | S | 83.9 | Confident | 87.1 | Confident | 7 Ų | 7 | 48.7 Ų | 48.7 | 5% | 0.049 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -97 | 1 | 178.3 | 60.5 | 0 | 0 | 0 | 0 | 113.9 | S71 K72 Q76 A77 H78 | S71-S74 PolarHBondContact N-OG 3.14Å; S71-S74 PolarHBondContact O-N 3.45Å; S71-S74 PolarHBondContact O-OG 2.92Å; S71-S74 PolarHBondContact OG-N 2.66Å; S71-S74 PolarHBondContact OG-OG 3.08Å; K72-S74 VanDerWaalsContact C-N 3.27Å; K72-S74 PolarHBondContact O-N 2.9Å; S74-Q76 PolarHBondContact O-N 3.32Å; S74-A77 PolarHBondContact O-N 3.13Å; S74-H78 WeakPolarHBondContact O-CB 3.36Å; S74-H78 PolarHBondContact O-N 3.38Å |
| 75 | F | 86.2 | Confident | 87.3 | Confident | 66 Ų | 66 | 48.8 Ų | 48.8 | 29% | 0.289 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -55.4 | -48.9 | -176.7 | -174.2 | -93.7 | 0 | 0 | 0 | 113.1 | P69 K72 A77 H78 S79 E114 | P69-F75 HydrophobicContact CG-CD2 4.06Å; K72-F75 WeakPolarHBondContact O-CB 3.06Å; K72-F75 PolarHBondContact O-N 2.84Å; F75-A77 VanDerWaalsContact C-N 3.33Å; F75-A77 PolarHBondContact O-N 2.92Å; F75-H78 PolarHBondContact O-N 2.85Å; F75-S79 WeakPolarHBondContact O-CB 3.47Å; F75-S79 PolarHBondContact O-N 3.23Å; F75-E114 HydrophobicContact CE2-CB 3.77Å; F75-E114 HydrophobicContact CZ-CB 4.28Å |
| 76 | Q | 89.2 | Confident | 87.5 | Confident | 100 Ų | 100 | 48.6 Ų | 48.6 | 47% | 0.467 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65.3 | -37.3 | -179.1 | -175.3 | 59.2 | 49.5 | 0 | 0 | 112.4 | S74 N80 | S74-Q76 PolarHBondContact O-N 3.32Å; Q76-N80 PolarHBondContact NE2-OD1 3.47Å; Q76-N80 WeakPolarHBondContact O-CB 3.33Å; Q76-N80 PolarHBondContact O-N 3.24Å; Q76-N80 PolarHBondContact O-ND2 3.1Å; Q76-N80 PolarHBondContact O-OD1 3.15Å |
| 77 | A | 88.6 | Confident | 87.7 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -71.7 | -41.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S30 F31 H32 S74 F75 N80 L81 | S30-A77 WeakPolarHBondContact O-CB 3.27Å; F31-A77 HydrophobicContact CB-CB 4.13Å; H32-A77 WeakPolarHBondContact ND1-CB 3.11Å; S74-A77 PolarHBondContact O-N 3.13Å; F75-A77 VanDerWaalsContact C-N 3.33Å; F75-A77 PolarHBondContact O-N 2.92Å; A77-N80 PolarHBondContact O-N 3.08Å; A77-L81 PolarHBondContact O-N 3.31Å |
| 78 | H | 89.9 | Confident | 88.2 | Confident | 3 Ų | 3 | 44.3 Ų | 44.3 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.5 | -48 | 172 | 173.2 | -89.3 | 0 | 0 | 0 | 111.4 | F31 S67 P69 S74 F75 N80 L81 C82 | F31-H78 HydrophobicContact CB-CB 4.17Å; F31-H78 HydrophobicContact CD1-CB 4.46Å; F31-H78 AromaticContact CD1-CD2 4Å; F31-H78 HydrophobicContact CD2-CB 4.12Å; F31-H78 AromaticContact CE1-CD2 3.9Å; F31-H78 HydrophobicContact CG-CB 4Å; S67-H78 PolarHBondContact O-CE1 3.19Å; S67-H78 VanDerWaalsContact O-CE1 3.3Å; S67-H78 PolarHBondContact O-NE2 3.47Å; S67-H78 PolarHBondContact OG-NE2 2.88Å; P69-H78 HydrophobicContact CB-CB 4.06Å; S74-H78 WeakPolarHBondContact O-CB 3.36Å; S74-H78 PolarHBondContact O-N 3.38Å; F75-H78 PolarHBondContact O-N 2.85Å; H78-N80 VanDerWaalsContact C-N 3.33Å; H78-N80 PolarHBondContact O-N 3.34Å; H78-L81 WeakPolarHBondContact O-CB 3.38Å; H78-L81 PolarHBondContact O-N 2.87Å; H78-L81 VanDerWaalsContact O-N 3.1Å; H78-C82 PolarHBondContact CE1-SG 3.23Å; H78-C82 PolarHBondContact O-N 3.26Å; H78-C82 PolarHBondContact O-SG 3.41Å |
| 79 | S | 92.3 | Very high | 89.1 | Confident | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -53.7 | -47.3 | 173.4 | 174.8 | 0 | 0 | 0 | 0 | 112.3 | F75 L81 C82 C83 S116 | F75-S79 WeakPolarHBondContact O-CB 3.47Å; F75-S79 PolarHBondContact O-N 3.23Å; S79-L81 PolarHBondContact O-N 3.17Å; S79-C82 PolarHBondContact O-N 3.37Å; S79-C83 PolarHBondContact O-N 3.29Å; S79-C83 PolarHBondContact O-SG 2.88Å; S79-S116 VanDerWaalsContact CB-O 3.26Å; S79-S116 WeakPolarHBondContact CB-O 3.4Å; S79-S116 PolarHBondContact OG-O 3.14Å |
| 80 | N | 92.8 | Very high | 90.1 | Very high | 56 Ų | 56 | 39 Ų | 39 | 30% | 0.299 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -63.4 | -38.9 | 177.9 | -70.3 | -13 | 0 | 0 | 0 | 112.6 | P33 Q76 A77 H78 C83 L84 | P33-N80 HydrophobicContact CG-CB 4.18Å; Q76-N80 PolarHBondContact NE2-OD1 3.47Å; Q76-N80 WeakPolarHBondContact O-CB 3.33Å; Q76-N80 PolarHBondContact O-N 3.24Å; Q76-N80 PolarHBondContact O-ND2 3.1Å; Q76-N80 PolarHBondContact O-OD1 3.15Å; A77-N80 PolarHBondContact O-N 3.08Å; H78-N80 VanDerWaalsContact C-N 3.33Å; H78-N80 PolarHBondContact O-N 3.34Å; N80-C83 PolarHBondContact O-N 3.36Å; N80-L84 PolarHBondContact O-N 3.26Å; N80-L84 VanDerWaalsContact O-N 3.1Å |
| 81 | L | 92.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 35.9 Ų | 35.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 174.8 | 174.9 | 64.7 | 0 | 0 | 0 | 111 | F25 F31 A77 H78 S79 C83 L84 I85 | F25-L81 HydrophobicContact CB-CD1 4.14Å; F25-L81 HydrophobicContact CB-CD2 3.94Å; F25-L81 HydrophobicContact CD1-CD1 4.2Å; F25-L81 HydrophobicContact CD2-CD1 3.59Å; F25-L81 HydrophobicContact CE2-CD1 3.92Å; F25-L81 HydrophobicContact CG-CD1 3.74Å; F25-L81 HydrophobicContact CG-CD2 4.42Å; F25-L81 HydrophobicContact CZ-CD1 4.39Å; F31-L81 HydrophobicContact CB-CD2 4.42Å; F31-L81 HydrophobicContact CD1-CD2 3.83Å; A77-L81 PolarHBondContact O-N 3.31Å; H78-L81 WeakPolarHBondContact O-CB 3.38Å; H78-L81 PolarHBondContact O-N 2.87Å; H78-L81 VanDerWaalsContact O-N 3.1Å; S79-L81 PolarHBondContact O-N 3.17Å; L81-C83 VanDerWaalsContact C-N 3.32Å; L81-C83 PolarHBondContact O-N 3.48Å; L81-L84 WeakPolarHBondContact O-CB 3.46Å; L81-L84 PolarHBondContact O-N 3.2Å; L81-I85 HydrophobicContact CD1-CD1 4.01Å; L81-I85 HydrophobicContact CD1-CG1 4.33Å; L81-I85 HydrophobicContact CG-CD1 3.89Å; L81-I85 WeakPolarHBondContact O-CG1 3.39Å; L81-I85 PolarHBondContact O-N 3.38Å |
| 82 | C | 94.6 | Very high | 92 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.6 | -43.8 | 176 | -69.3 | 0 | 0 | 0 | 0 | 111.4 | L65 H78 S79 L84 I85 C86 W117 | L65-C82 HydrophobicContact CD2-CB 4.13Å; H78-C82 PolarHBondContact CE1-SG 3.23Å; H78-C82 PolarHBondContact O-N 3.26Å; H78-C82 PolarHBondContact O-SG 3.41Å; S79-C82 PolarHBondContact O-N 3.37Å; C82-L84 VanDerWaalsContact C-N 3.34Å; C82-L84 PolarHBondContact O-N 3.4Å; C82-I85 PolarHBondContact O-N 3.08Å; C82-I85 VanDerWaalsContact O-N 3.13Å; C82-C86 WeakPolarHBondContact O-CB 3.37Å; C82-C86 PolarHBondContact O-N 3.16Å; C82-C86 PolarHBondContact O-SG 2.83Å; C82-W117 HydrophobicContact CB-CB 3.61Å; C82-W117 VanDerWaalsContact CB-CD1 3.47Å; C82-W117 HydrophobicContact CB-CD2 4.43Å; C82-W117 HydrophobicContact CB-CG 3.56Å |
| 83 | C | 95 | Very high | 92.9 | Very high | 7 Ų | 7 | 23.9 Ų | 23.9 | 5% | 0.047 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -42.1 | 176.2 | -67.6 | 0 | 0 | 0 | 0 | 113.1 | S79 N80 L81 C86 S87 R120 E122 S123 | S79-C83 PolarHBondContact O-N 3.29Å; S79-C83 PolarHBondContact O-SG 2.88Å; N80-C83 PolarHBondContact O-N 3.36Å; L81-C83 VanDerWaalsContact C-N 3.32Å; L81-C83 PolarHBondContact O-N 3.48Å; C83-C86 PolarHBondContact O-N 3.47Å; C83-S87 PolarHBondContact O-N 2.88Å; C83-S87 PolarHBondContact O-OG 3.32Å; C83-R120 WeakPolarHBondContact SG-CB 3.4Å; C83-R120 VanDerWaalsContact SG-CG 3.53Å; C83-E122 HydrophobicContact CB-CB 3.87Å; C83-S123 PolarHBondContact SG-OG 2.72Å |
| 84 | L | 95.3 | Very high | 93.5 | Very high | 20 Ų | 20 | 23.7 Ų | 23.7 | 11% | 0.105 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61 | -46.4 | 174.5 | 171.9 | 65.8 | 0 | 0 | 0 | 110.8 | P33 S38 L41 N80 L81 C82 S87 V88 | P33-L84 HydrophobicContact CB-CD2 4.02Å; S38-L84 VanDerWaalsContact OG-CD2 3.25Å; S38-L84 WeakPolarHBondContact OG-CD2 3.32Å; L41-L84 HydrophobicContact CD1-CD2 4.3Å; N80-L84 PolarHBondContact O-N 3.26Å; N80-L84 VanDerWaalsContact O-N 3.1Å; L81-L84 WeakPolarHBondContact O-CB 3.46Å; L81-L84 PolarHBondContact O-N 3.2Å; C82-L84 VanDerWaalsContact C-N 3.34Å; C82-L84 PolarHBondContact O-N 3.4Å; L84-S87 WeakPolarHBondContact O-CB 3.4Å; L84-S87 PolarHBondContact O-N 2.78Å; L84-V88 HydrophobicContact CD1-CG2 4.41Å; L84-V88 WeakPolarHBondContact O-CG2 3.29Å; L84-V88 PolarHBondContact O-N 2.87Å |
| 85 | I | 96.1 | Very high | 93.9 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.015 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.5 | -43.6 | 179.8 | -62 | 164.5 | 0 | 0 | 0 | 110.4 | F61 L64 L65 L81 C82 S87 V88 M89 | F61-I85 HydrophobicContact CB-CG2 4.33Å; F61-I85 HydrophobicContact CD1-CG1 4.29Å; L64-I85 HydrophobicContact CB-CD1 3.47Å; L64-I85 VanDerWaalsContact CB-CD1 3.47Å; L64-I85 HydrophobicContact CD1-CD1 3.76Å; L64-I85 HydrophobicContact CG-CD1 4.27Å; L65-I85 HydrophobicContact CD1-CG2 3.95Å; L65-I85 HydrophobicContact CD2-CB 3.85Å; L65-I85 HydrophobicContact CD2-CG2 3.8Å; L65-I85 HydrophobicContact CG-CB 4.27Å; L65-I85 HydrophobicContact CG-CG2 3.67Å; L81-I85 HydrophobicContact CD1-CD1 4.01Å; L81-I85 HydrophobicContact CD1-CG1 4.33Å; L81-I85 HydrophobicContact CG-CD1 3.89Å; L81-I85 WeakPolarHBondContact O-CG1 3.39Å; L81-I85 PolarHBondContact O-N 3.38Å; C82-I85 PolarHBondContact O-N 3.08Å; C82-I85 VanDerWaalsContact O-N 3.13Å; I85-S87 VanDerWaalsContact C-N 3.27Å; I85-S87 PolarHBondContact O-N 2.97Å; I85-V88 PolarHBondContact O-N 3.21Å; I85-M89 HydrophobicContact CG2-CE 4.11Å; I85-M89 HydrophobicContact CG2-CG 3.97Å; I85-M89 WeakPolarHBondContact O-CB 3.35Å; I85-M89 WeakPolarHBondContact O-CG 3.43Å; I85-M89 PolarHBondContact O-N 3.35Å |
| 86 | C | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.4 | -42.8 | 173.5 | -69.6 | 0 | 0 | 0 | 0 | 111.7 | C82 C83 M89 M90 W117 F126 | C82-C86 WeakPolarHBondContact O-CB 3.37Å; C82-C86 PolarHBondContact O-N 3.16Å; C82-C86 PolarHBondContact O-SG 2.83Å; C83-C86 PolarHBondContact O-N 3.47Å; C86-M89 PolarHBondContact O-N 3.05Å; C86-M90 WeakPolarHBondContact O-CB 3.46Å; C86-M90 PolarHBondContact O-N 3.34Å; C86-W117 VanDerWaalsContact SG-CE3 3.58Å; C86-F126 HydrophobicContact CB-CB 3.99Å; C86-F126 HydrophobicContact CB-CD1 3.84Å; C86-F126 HydrophobicContact CB-CG 4.01Å; C86-F126 VanDerWaalsContact SG-CD1 3.53Å |
| 87 | S | 96.2 | Very high | 94.3 | Very high | 49 Ų | 49 | 30.7 Ų | 30.7 | 34% | 0.343 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -64.9 | -43.8 | 177.6 | -59.9 | 0 | 0 | 0 | 0 | 112.3 | C83 L84 I85 E91 | C83-S87 PolarHBondContact O-N 2.88Å; C83-S87 PolarHBondContact O-OG 3.32Å; L84-S87 WeakPolarHBondContact O-CB 3.4Å; L84-S87 PolarHBondContact O-N 2.78Å; I85-S87 VanDerWaalsContact C-N 3.27Å; I85-S87 PolarHBondContact O-N 2.97Å; S87-E91 WeakPolarHBondContact O-CB 3.32Å; S87-E91 PolarHBondContact O-N 3.3Å |
| 88 | V | 97.1 | Very high | 94.5 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 2% | 0.018 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 176.6 | 164.4 | 0 | 0 | 0 | 0 | 111.4 | L41 A45 F52 L84 I85 E91 S92 | L41-V88 HydrophobicContact CB-CG2 4Å; A45-V88 HydrophobicContact CB-CB 4.43Å; A45-V88 HydrophobicContact CB-CG1 4.08Å; A45-V88 HydrophobicContact CB-CG2 4.44Å; F52-V88 HydrophobicContact CD1-CG1 3.52Å; F52-V88 HydrophobicContact CD2-CG1 4.42Å; F52-V88 HydrophobicContact CE1-CG1 3.41Å; F52-V88 VanDerWaalsContact CE1-CG1 3.41Å; F52-V88 HydrophobicContact CE2-CG1 4.34Å; F52-V88 HydrophobicContact CG-CG1 4.04Å; F52-V88 HydrophobicContact CZ-CG1 3.84Å; L84-V88 HydrophobicContact CD1-CG2 4.41Å; L84-V88 WeakPolarHBondContact O-CG2 3.29Å; L84-V88 PolarHBondContact O-N 2.87Å; I85-V88 PolarHBondContact O-N 3.21Å; V88-E91 PolarHBondContact O-N 3.12Å; V88-S92 VanDerWaalsContact O-CB 3.3Å; V88-S92 WeakPolarHBondContact O-CB 3.37Å; V88-S92 PolarHBondContact O-N 3.05Å; V88-S92 PolarHBondContact O-OG 3.27Å |
| 89 | M | 97.2 | Very high | 94.8 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67 | -43.9 | 178.7 | -68 | -61.2 | 166.1 | 0 | 0 | 111.1 | F58 F61 I85 C86 E91 S92 W93 F103 F126 | F58-M89 HydrophobicContact CD2-SD 4.39Å; F61-M89 HydrophobicContact CB-CE 3.24Å; F61-M89 HydrophobicContact CG-CE 4.16Å; I85-M89 HydrophobicContact CG2-CE 4.11Å; I85-M89 HydrophobicContact CG2-CG 3.97Å; I85-M89 WeakPolarHBondContact O-CB 3.35Å; I85-M89 WeakPolarHBondContact O-CG 3.43Å; I85-M89 PolarHBondContact O-N 3.35Å; C86-M89 PolarHBondContact O-N 3.05Å; M89-E91 PolarHBondContact O-N 3.16Å; M89-S92 CarbonylContact O-C 3.5Å; M89-S92 PolarHBondContact O-N 2.97Å; M89-W93 WeakPolarHBondContact O-CB 3.21Å; M89-W93 PolarHBondContact O-N 2.83Å; M89-W93 HydrophobicContact SD-CE3 4.02Å; M89-W93 HydrophobicContact SD-CH2 4.08Å; M89-W93 HydrophobicContact SD-CZ3 3.42Å; M89-W93 WeakPolarHBondContact SD-CZ3 3.49Å; M89-F103 HydrophobicContact CB-CE1 4.1Å; M89-F103 HydrophobicContact CB-CZ 3.93Å; M89-F103 HydrophobicContact CG-CE1 3.96Å; M89-F103 HydrophobicContact CG-CZ 4.13Å; M89-F103 HydrophobicContact SD-CE1 3.97Å; M89-F103 HydrophobicContact SD-CZ 3.91Å; M89-F126 HydrophobicContact CB-CD2 4.34Å; M89-F126 HydrophobicContact CB-CE2 3.88Å; M89-F126 HydrophobicContact CB-CZ 4.46Å |
| 90 | M | 96.3 | Very high | 95 | Very high | 33 Ų | 33 | 36.9 Ų | 36.9 | 16% | 0.163 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57.7 | -49.5 | 175.3 | -174.9 | 67.9 | -118.5 | 0 | 0 | 111.1 | C86 S92 W93 K94 W99 A125 F126 A129 | C86-M90 WeakPolarHBondContact O-CB 3.46Å; C86-M90 PolarHBondContact O-N 3.34Å; M90-S92 VanDerWaalsContact C-N 3.27Å; M90-S92 PolarHBondContact O-N 3.29Å; M90-W93 PolarHBondContact O-N 3.29Å; M90-K94 HydrophobicContact CE-CB 3.54Å; M90-K94 VanDerWaalsContact O-CB 3.28Å; M90-K94 WeakPolarHBondContact O-CB 3.44Å; M90-K94 PolarHBondContact O-N 3.46Å; M90-W99 HydrophobicContact CE-CH2 4.03Å; M90-W99 HydrophobicContact CE-CZ2 3.92Å; M90-W99 HydrophobicContact SD-CH2 3.83Å; M90-W99 HydrophobicContact SD-CZ2 4.33Å; M90-A125 HydrophobicContact CG-CB 4.09Å; M90-A125 HydrophobicContact SD-CB 4.28Å; M90-F126 HydrophobicContact CB-CB 4.24Å; M90-F126 HydrophobicContact CB-CD2 4.31Å; M90-F126 HydrophobicContact SD-CB 4.42Å; M90-A129 HydrophobicContact CE-CB 4.44Å; M90-A129 HydrophobicContact SD-CB 4.2Å |
| 91 | E | 97.1 | Very high | 95.1 | Very high | 52 Ų | 52 | 36 Ų | 36 | 24% | 0.243 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -63 | -36.2 | 178.3 | -175 | 62 | -165.2 | 0 | 0 | 112 | A45 K46 S87 V88 M89 K94 | A45-E91 HydrophobicContact CB-CB 4.17Å; A45-E91 HydrophobicContact CB-CG 4.14Å; K46-E91 HydrophobicContact CB-CG 4.45Å; K46-E91 HydrophobicContact CG-CG 3.78Å; S87-E91 WeakPolarHBondContact O-CB 3.32Å; S87-E91 PolarHBondContact O-N 3.3Å; V88-E91 PolarHBondContact O-N 3.12Å; M89-E91 PolarHBondContact O-N 3.16Å; E91-K94 WeakPolarHBondContact OE1-CE 3.46Å; E91-K94 IonicContact OE1-NZ 2.71Å; E91-K94 PolarHBondContact OE1-NZ 2.9Å; E91-K94 IonicContact OE2-NZ 3.8Å; E91-K94 PolarHBondContact OE2-NZ 3.31Å |
| 92 | S | 97 | Very high | 95.2 | Very high | 1 Ų | 1 | 37.7 Ų | 37.7 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -79 | -19 | -178.7 | -54.7 | 0 | 0 | 0 | 0 | 113.9 | F52 R53 V88 M89 M90 | F52-S92 WeakPolarHBondContact CB-OG 3.29Å; R53-S92 PolarHBondContact NH1-O 3.43Å; V88-S92 VanDerWaalsContact O-CB 3.3Å; V88-S92 WeakPolarHBondContact O-CB 3.37Å; V88-S92 PolarHBondContact O-N 3.05Å; V88-S92 PolarHBondContact O-OG 3.27Å; M89-S92 CarbonylContact O-C 3.5Å; M89-S92 PolarHBondContact O-N 2.97Å; M90-S92 VanDerWaalsContact C-N 3.27Å; M90-S92 PolarHBondContact O-N 3.29Å |
| 93 | W | 96.4 | Very high | 95.3 | Very high | 15 Ų | 15 | 37.7 Ų | 37.7 | 6% | 0.057 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -120.5 | -1.9 | -177.4 | -92.3 | -97.2 | 0 | 0 | 0 | 115.1 | F52 R53 F58 M89 M90 E95 Q96 W99 P100 F103 R182 | F52-W93 HydrophobicContact CB-CZ3 4.1Å; F52-W93 WeakPolarHBondContact O-CH2 3.42Å; R53-W93 HydrophobicContact CB-CH2 4.16Å; R53-W93 HydrophobicContact CB-CZ2 4.01Å; R53-W93 HydrophobicContact CG-CD2 4.03Å; R53-W93 HydrophobicContact CG-CE3 4.14Å; R53-W93 HydrophobicContact CG-CH2 3.78Å; R53-W93 HydrophobicContact CG-CZ2 3.64Å; R53-W93 HydrophobicContact CG-CZ3 3.99Å; F58-W93 HydrophobicContact CB-CH2 4.2Å; F58-W93 AromaticContact CD2-CH2 3.45Å; F58-W93 HydrophobicContact CD2-CH2 3.45Å; F58-W93 VanDerWaalsContact CD2-CH2 3.45Å; F58-W93 AromaticContact CD2-CZ2 3.77Å; F58-W93 HydrophobicContact CD2-CZ2 3.77Å; F58-W93 HydrophobicContact CD2-CZ3 4.37Å; F58-W93 HydrophobicContact CE2-CH2 4.16Å; F58-W93 HydrophobicContact CE2-CZ2 4.17Å; F58-W93 HydrophobicContact CG-CH2 4.09Å; F58-W93 HydrophobicContact CG-CZ2 4.3Å; M89-W93 WeakPolarHBondContact O-CB 3.21Å; M89-W93 PolarHBondContact O-N 2.83Å; M89-W93 HydrophobicContact SD-CE3 4.02Å; M89-W93 HydrophobicContact SD-CH2 4.08Å; M89-W93 HydrophobicContact SD-CZ3 3.42Å; M89-W93 WeakPolarHBondContact SD-CZ3 3.49Å; M90-W93 PolarHBondContact O-N 3.29Å; W93-E95 PolarHBondContact O-N 3.43Å; W93-E95 VanDerWaalsContact O-N 3.13Å; W93-Q96 HydrophobicContact CG-CB 4.44Å; W93-Q96 HydrophobicContact CG-CG 4.33Å; W93-Q96 WeakPolarHBondContact O-CB 3.45Å; W93-Q96 PolarHBondContact O-N 3.31Å; W93-W99 HydrophobicContact CB-CD2 4.48Å; W93-W99 HydrophobicContact CB-CZ2 3.89Å; W93-W99 AromaticContact CD1-CD1 3.82Å; W93-W99 PolarHBondContact O-NE1 3.32Å; W93-P100 HydrophobicContact CZ2-CG 4.48Å; W93-F103 HydrophobicContact CB-CE2 4.33Å; W93-F103 HydrophobicContact CD2-CE2 4.01Å; W93-F103 AromaticContact CD2-CZ 3.98Å; W93-F103 HydrophobicContact CD2-CZ 3.98Å; W93-F103 HydrophobicContact CE3-CE2 4.45Å; W93-F103 HydrophobicContact CE3-CZ 4.03Å; W93-F103 AromaticContact CG-CE2 3.95Å; W93-F103 HydrophobicContact CG-CE2 3.95Å; W93-F103 HydrophobicContact CG-CZ 4.4Å; W93-F103 HydrophobicContact CZ3-CZ 4.34Å; W93-R182 PolarHBondContact O-NH1 3.4Å |
| 94 | K | 93.3 | Very high | 95.3 | Very high | 74 Ų | 74 | 37.4 Ų | 37.4 | 32% | 0.322 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -34.4 | -177.4 | 62.2 | -178.1 | -179.2 | -170.7 | 0 | 114.3 | M90 E91 R182 | M90-K94 HydrophobicContact CE-CB 3.54Å; M90-K94 VanDerWaalsContact O-CB 3.28Å; M90-K94 WeakPolarHBondContact O-CB 3.44Å; M90-K94 PolarHBondContact O-N 3.46Å; E91-K94 WeakPolarHBondContact OE1-CE 3.46Å; E91-K94 IonicContact OE1-NZ 2.71Å; E91-K94 PolarHBondContact OE1-NZ 2.9Å; E91-K94 IonicContact OE2-NZ 3.8Å; E91-K94 PolarHBondContact OE2-NZ 3.31Å; K94-R182 PolarHBondContact O-NH1 3.01Å; K94-R182 PolarHBondContact O-NH2 3.41Å |
| 95 | E | 91.8 | Very high | 95.4 | Very high | 144 Ų | 144 | 38.3 Ų | 38.3 | 67% | 0.673 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.3 | 0.5 | 178.1 | -54.1 | -50.5 | 141.1 | 0 | 0 | 113.7 | W93 | W93-E95 PolarHBondContact O-N 3.43Å; W93-E95 VanDerWaalsContact O-N 3.13Å |
| 96 | Q | 93.5 | Very high | 95.4 | Very high | 66 Ų | 66 | 38.2 Ų | 38.2 | 31% | 0.308 | 19% | 0.188 | S | C | . | . | trans | -96.5 | 131.8 | -176.5 | -57.3 | -58.7 | -73 | 0 | 0 | 111.5 | W93 W99 R182 | W93-Q96 HydrophobicContact CG-CB 4.44Å; W93-Q96 HydrophobicContact CG-CG 4.33Å; W93-Q96 WeakPolarHBondContact O-CB 3.45Å; W93-Q96 PolarHBondContact O-N 3.31Å; Q96-W99 PolarHBondContact O-NE1 3.3Å; Q96-R182 PolarHBondContact O-NH1 3.44Å | ||
| 97 | N | 91.1 | Very high | 95.4 | Very high | 111 Ų | 111 | 38.5 Ų | 38.5 | 59% | 0.594 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -83.7 | -16.5 | 177.5 | -65.2 | -31.5 | 0 | 0 | 0 | 113.2 | R182 | N97-R182 CarbonylContact O-C 3.41Å; N97-R182 VanDerWaalsContact O-CA 3.27Å; N97-R182 WeakPolarHBondContact O-CA 3.18Å |
| 98 | E | 92.4 | Very high | 95.3 | Very high | 118 Ų | 118 | 36.1 Ų | 36.1 | 55% | 0.551 | 17% | 0.173 | S | C | * | . | trans | -112.7 | 102.6 | 179.1 | -72.4 | 160.9 | -142.4 | 0 | 0 | 109.6 | E185 | E98-E185 HydrophobicContact CG-CG 4.33Š| ||
| 99 | W | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 37.9 Ų | 37.9 | 1% | 0.008 | 18% | 0.183 | C | C | . | . | trans | -92 | 140.9 | 175.4 | -80.7 | 30.3 | 0 | 0 | 0 | 110.4 | M90 W93 Q96 F103 F126 A129 I130 R182 F183 | M90-W99 HydrophobicContact CE-CH2 4.03Å; M90-W99 HydrophobicContact CE-CZ2 3.92Å; M90-W99 HydrophobicContact SD-CH2 3.83Å; M90-W99 HydrophobicContact SD-CZ2 4.33Å; W93-W99 HydrophobicContact CB-CD2 4.48Å; W93-W99 HydrophobicContact CB-CZ2 3.89Å; W93-W99 AromaticContact CD1-CD1 3.82Å; W93-W99 PolarHBondContact O-NE1 3.32Å; Q96-W99 PolarHBondContact O-NE1 3.3Å; W99-F103 HydrophobicContact CB-CD2 4.2Å; W99-F103 AromaticContact CD2-CD2 3.9Å; W99-F103 HydrophobicContact CD2-CD2 3.9Å; W99-F103 HydrophobicContact CD2-CE2 4.18Å; W99-F103 HydrophobicContact CE3-CB 4.46Å; W99-F103 AromaticContact CE3-CD2 3.43Å; W99-F103 HydrophobicContact CE3-CD2 3.43Å; W99-F103 VanDerWaalsContact CE3-CD2 3.43Å; W99-F103 HydrophobicContact CE3-CE2 4.05Å; W99-F103 HydrophobicContact CE3-CG 4.38Å; W99-F103 HydrophobicContact CG-CD2 4.27Å; W99-F103 HydrophobicContact CG-CE2 4.5Å; W99-F103 AromaticContact CZ3-CD2 4Å; W99-F103 HydrophobicContact CZ3-CD2 4Å; W99-F103 HydrophobicContact CZ3-CE2 4.47Å; W99-F126 AromaticContact CH2-CD2 3.99Å; W99-F126 HydrophobicContact CH2-CD2 3.99Å; W99-F126 HydrophobicContact CH2-CE2 4.22Å; W99-F126 AromaticContact CZ3-CD2 3.89Å; W99-F126 HydrophobicContact CZ3-CD2 3.89Å; W99-F126 AromaticContact CZ3-CE2 3.8Å; W99-F126 HydrophobicContact CZ3-CE2 3.8Å; W99-A129 HydrophobicContact CH2-CB 3.31Å; W99-A129 HydrophobicContact CZ2-CB 3.98Å; W99-A129 HydrophobicContact CZ3-CB 3.65Å; W99-I130 HydrophobicContact CE3-CG1 4.38Å; W99-I130 HydrophobicContact CZ3-CG1 4.07Å; W99-R182 HydrophobicContact CB-CB 3.81Å; W99-R182 VanDerWaalsContact CD1-CD 3.46Å; W99-R182 HydrophobicContact CD2-CB 4.17Å; W99-R182 HydrophobicContact CG-CB 3.6Å; W99-R182 HydrophobicContact CG-CG 4.36Å; W99-R182 PolarHBondContact N-O 2.97Å; W99-F183 HydrophobicContact CB-CD1 3.89Å; W99-F183 HydrophobicContact CB-CE1 3.5Å; W99-F183 HydrophobicContact CB-CZ 4.23Å; W99-F183 HydrophobicContact CE3-CZ 4.33Å; W99-F183 WeakPolarHBondContact O-CD1 3.24Å | ||
| 100 | P | 95.8 | Very high | 95 | Very high | 19 Ų | 19 | 38.4 Ų | 38.4 | 12% | 0.123 | 19% | 0.185 | C | C | . | . | trans | -70.1 | 138.9 | 176.2 | 29 | -34.7 | 0 | 0 | 0 | 110.8 | F58 W93 I102 F103 F183 | F58-P100 HydrophobicContact CE1-CB 3.89Å; F58-P100 HydrophobicContact CE1-CG 4.14Å; F58-P100 HydrophobicContact CE2-CB 4.11Å; F58-P100 HydrophobicContact CE2-CG 3.45Å; F58-P100 VanDerWaalsContact CE2-CG 3.45Å; F58-P100 HydrophobicContact CZ-CB 3.32Å; F58-P100 HydrophobicContact CZ-CG 3.2Å; W93-P100 HydrophobicContact CZ2-CG 4.48Å; P100-I102 HydrophobicContact CB-CG2 4.46Å; P100-I102 HydrophobicContact CG-CG2 4.41Å; P100-I102 PolarHBondContact O-N 3.44Å; P100-F103 VanDerWaalsContact CD-CE2 3.48Å; P100-F103 HydrophobicContact CG-CD1 4.26Å; P100-F103 HydrophobicContact CG-CD2 3.72Å; P100-F103 HydrophobicContact CG-CE1 4.13Å; P100-F103 HydrophobicContact CG-CE2 3.56Å; P100-F103 HydrophobicContact CG-CG 4.09Å; P100-F103 HydrophobicContact CG-CZ 3.77Å; P100-F103 PolarHBondContact O-N 2.86Å; P100-F103 VanDerWaalsContact O-N 3.08Å; P100-F183 WeakPolarHBondContact O-CE1 3.28Å | ||
| 101 | E | 95.1 | Very high | 94.9 | Very high | 38 Ų | 38 | 36.8 Ų | 36.8 | 18% | 0.178 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.5 | -179.5 | 67.1 | -169.5 | -130.3 | 0 | 0 | 113.6 | F103 A104 K105 R186 Q189 V190 | E101-F103 PolarHBondContact O-N 3.26Å; E101-F103 VanDerWaalsContact O-N 3.09Å; E101-A104 PolarHBondContact O-N 2.78Å; E101-A104 VanDerWaalsContact O-N 3.1Å; E101-K105 HydrophobicContact CG-CD 4.44Å; E101-K105 WeakPolarHBondContact O-CG 3.47Å; E101-K105 PolarHBondContact O-N 2.97Å; E101-K105 WeakPolarHBondContact OE1-CE 3.35Å; E101-K105 IonicContact OE1-NZ 3.09Å; E101-K105 PolarHBondContact OE1-NZ 3.07Å; E101-R186 HydrophobicContact CB-CB 4.38Å; E101-R186 IonicContact OE2-NH1 2.66Å; E101-Q189 WeakPolarHBondContact OE2-CB 3.41Å; E101-Q189 VanDerWaalsContact OE2-CG 3.3Å; E101-Q189 WeakPolarHBondContact OE2-CG 3.47Å; E101-V190 HydrophobicContact CB-CG2 4Å |
| 102 | I | 95.6 | Very high | 94.7 | Very high | 37 Ų | 37 | 35.1 Ų | 35.1 | 19% | 0.19 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -55.7 | -29.9 | 178 | -153.2 | 68.8 | 0 | 0 | 0 | 111.8 | F58 R66 P100 K105 A106 | F58-I102 HydrophobicContact CE1-CG2 4.19Å; F58-I102 HydrophobicContact CE2-CG2 3.74Å; F58-I102 HydrophobicContact CZ-CB 4.17Å; F58-I102 HydrophobicContact CZ-CG2 3.22Å; R66-I102 VanDerWaalsContact CD-CD1 3.4Å; P100-I102 HydrophobicContact CB-CG2 4.46Å; P100-I102 HydrophobicContact CG-CG2 4.41Å; P100-I102 PolarHBondContact O-N 3.44Å; I102-K105 PolarHBondContact O-N 2.89Å; I102-A106 VanDerWaalsContact O-CB 3.25Å; I102-A106 WeakPolarHBondContact O-CB 3.46Å; I102-A106 PolarHBondContact O-N 3.49Å |
| 103 | F | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -46 | -179.9 | -67.7 | -19.5 | 0 | 0 | 0 | 110.9 | F58 M89 W93 W99 P100 E101 Y107 F126 I130 F183 | F58-F103 HydrophobicContact CE2-CD1 4.38Å; F58-F103 AromaticContact CE2-CE1 3.6Å; F58-F103 HydrophobicContact CE2-CE1 3.6Å; F58-F103 AromaticContact CE2-CZ 3.84Å; F58-F103 HydrophobicContact CE2-CZ 3.84Å; F58-F103 HydrophobicContact CZ-CE1 4.45Å; M89-F103 HydrophobicContact CB-CE1 4.1Å; M89-F103 HydrophobicContact CB-CZ 3.93Å; M89-F103 HydrophobicContact CG-CE1 3.96Å; M89-F103 HydrophobicContact CG-CZ 4.13Å; M89-F103 HydrophobicContact SD-CE1 3.97Å; M89-F103 HydrophobicContact SD-CZ 3.91Å; W93-F103 HydrophobicContact CB-CE2 4.33Å; W93-F103 HydrophobicContact CD2-CE2 4.01Å; W93-F103 AromaticContact CD2-CZ 3.98Å; W93-F103 HydrophobicContact CD2-CZ 3.98Å; W93-F103 HydrophobicContact CE3-CE2 4.45Å; W93-F103 HydrophobicContact CE3-CZ 4.03Å; W93-F103 AromaticContact CG-CE2 3.95Å; W93-F103 HydrophobicContact CG-CE2 3.95Å; W93-F103 HydrophobicContact CG-CZ 4.4Å; W93-F103 HydrophobicContact CZ3-CZ 4.34Å; W99-F103 HydrophobicContact CB-CD2 4.2Å; W99-F103 AromaticContact CD2-CD2 3.9Å; W99-F103 HydrophobicContact CD2-CD2 3.9Å; W99-F103 HydrophobicContact CD2-CE2 4.18Å; W99-F103 HydrophobicContact CE3-CB 4.46Å; W99-F103 AromaticContact CE3-CD2 3.43Å; W99-F103 HydrophobicContact CE3-CD2 3.43Å; W99-F103 VanDerWaalsContact CE3-CD2 3.43Å; W99-F103 HydrophobicContact CE3-CE2 4.05Å; W99-F103 HydrophobicContact CE3-CG 4.38Å; W99-F103 HydrophobicContact CG-CD2 4.27Å; W99-F103 HydrophobicContact CG-CE2 4.5Å; W99-F103 AromaticContact CZ3-CD2 4Å; W99-F103 HydrophobicContact CZ3-CD2 4Å; W99-F103 HydrophobicContact CZ3-CE2 4.47Å; P100-F103 VanDerWaalsContact CD-CE2 3.48Å; P100-F103 HydrophobicContact CG-CD1 4.26Å; P100-F103 HydrophobicContact CG-CD2 3.72Å; P100-F103 HydrophobicContact CG-CE1 4.13Å; P100-F103 HydrophobicContact CG-CE2 3.56Å; P100-F103 HydrophobicContact CG-CG 4.09Å; P100-F103 HydrophobicContact CG-CZ 3.77Å; P100-F103 PolarHBondContact O-N 2.86Å; P100-F103 VanDerWaalsContact O-N 3.08Å; E101-F103 PolarHBondContact O-N 3.26Å; E101-F103 VanDerWaalsContact O-N 3.09Å; F103-Y107 PolarHBondContact O-N 3.18Å; F103-F126 HydrophobicContact CB-CE2 4.38Å; F103-F126 HydrophobicContact CB-CZ 3.85Å; F103-F126 AromaticContact CD1-CE2 4Å; F103-F126 HydrophobicContact CD1-CE2 4Å; F103-F126 AromaticContact CD1-CZ 3.53Å; F103-F126 HydrophobicContact CD1-CZ 3.53Å; F103-F126 AromaticContact CD2-CE2 3.93Å; F103-F126 HydrophobicContact CD2-CE2 3.93Å; F103-F126 HydrophobicContact CD2-CZ 4.15Å; F103-F126 HydrophobicContact CE1-CE2 4.15Å; F103-F126 HydrophobicContact CE1-CZ 4.01Å; F103-F126 HydrophobicContact CE2-CE2 4.1Å; F103-F126 AromaticContact CG-CE2 3.87Å; F103-F126 HydrophobicContact CG-CE2 3.87Å; F103-F126 AromaticContact CG-CZ 3.59Å; F103-F126 HydrophobicContact CG-CZ 3.59Å; F103-F126 HydrophobicContact CZ-CE2 4.21Å; F103-I130 HydrophobicContact CB-CD1 4.1Å; F103-I130 HydrophobicContact CB-CG1 4.25Å; F103-I130 WeakPolarHBondContact O-CD1 3.44Å; F103-F183 HydrophobicContact CB-CE1 4.38Å; F103-F183 HydrophobicContact CB-CZ 4.21Å |
| 104 | A | 95.7 | Very high | 93.8 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -43.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | E101 Y107 L108 I130 F134 F183 V190 | E101-A104 PolarHBondContact O-N 2.78Å; E101-A104 VanDerWaalsContact O-N 3.1Å; A104-Y107 PolarHBondContact O-N 3.03Å; A104-L108 WeakPolarHBondContact O-CG 3.32Å; A104-L108 PolarHBondContact O-N 2.64Å; A104-I130 HydrophobicContact CB-CG2 4.41Å; A104-F134 HydrophobicContact CB-CE1 3.87Å; A104-F134 HydrophobicContact CB-CZ 4.17Å; A104-F183 HydrophobicContact CB-CE1 4.41Å; A104-F183 HydrophobicContact CB-CE2 4Å; A104-F183 HydrophobicContact CB-CZ 3.92Å; A104-V190 HydrophobicContact CB-CG1 3.85Å; A104-V190 HydrophobicContact CB-CG2 3.96Å |
| 105 | K | 96.5 | Very high | 93.7 | Very high | 38 Ų | 38 | 42.5 Ų | 42.5 | 17% | 0.165 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.4 | -50.4 | 177.7 | -64.6 | -178.1 | 170.5 | 174.6 | 0 | 111.8 | E101 I102 Y107 L108 D109 Y193 | E101-K105 HydrophobicContact CG-CD 4.44Å; E101-K105 WeakPolarHBondContact O-CG 3.47Å; E101-K105 PolarHBondContact O-N 2.97Å; E101-K105 WeakPolarHBondContact OE1-CE 3.35Å; E101-K105 IonicContact OE1-NZ 3.09Å; E101-K105 PolarHBondContact OE1-NZ 3.07Å; I102-K105 PolarHBondContact O-N 2.89Å; K105-Y107 PolarHBondContact O-N 3.29Å; K105-L108 PolarHBondContact O-N 2.98Å; K105-D109 WeakPolarHBondContact O-CB 3.39Å; K105-D109 PolarHBondContact O-N 3.48Å; K105-Y193 HydrophobicContact CB-CD1 4.04Å; K105-Y193 HydrophobicContact CB-CE1 3.72Å; K105-Y193 HydrophobicContact CB-CE2 4.43Å; K105-Y193 HydrophobicContact CB-CG 4.5Å; K105-Y193 HydrophobicContact CD-CD1 4.48Å; K105-Y193 HydrophobicContact CD-CD2 3.91Å; K105-Y193 HydrophobicContact CD-CE2 4.07Å; K105-Y193 HydrophobicContact CD-CG 4.1Å; K105-Y193 HydrophobicContact CG-CD1 3.6Å; K105-Y193 HydrophobicContact CG-CD2 3.93Å; K105-Y193 HydrophobicContact CG-CE1 3.79Å; K105-Y193 HydrophobicContact CG-CE2 4.09Å; K105-Y193 HydrophobicContact CG-CG 3.65Å |
| 106 | A | 96.2 | Very high | 93.6 | Very high | 1 Ų | 1 | 36 Ų | 36 | 1% | 0.008 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L65 R66 I102 D109 D110 W117 | L65-A106 HydrophobicContact CB-CB 3.92Å; R66-A106 HydrophobicContact CG-CB 3.73Å; I102-A106 VanDerWaalsContact O-CB 3.25Å; I102-A106 WeakPolarHBondContact O-CB 3.46Å; I102-A106 PolarHBondContact O-N 3.49Å; A106-D109 PolarHBondContact O-N 3.44Å; A106-D110 PolarHBondContact O-N 3.16Å; A106-D110 VanDerWaalsContact O-N 3.13Å; A106-W117 HydrophobicContact CB-CZ2 4.26Å; A106-W117 WeakPolarHBondContact O-CZ2 3.36Å |
| 107 | Y | 95.9 | Very high | 93.5 | Very high | 6 Ų | 6 | 33 Ų | 33 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -57.5 | -48.8 | 173.5 | 165.1 | -97.8 | 0 | 0 | 0 | 111.3 | F103 A104 K105 D110 A111 V118 V127 I130 L131 F134 | F103-Y107 PolarHBondContact O-N 3.18Å; A104-Y107 PolarHBondContact O-N 3.03Å; K105-Y107 PolarHBondContact O-N 3.29Å; Y107-D110 PolarHBondContact O-N 3.31Å; Y107-A111 HydrophobicContact CD2-CB 4.39Å; Y107-A111 HydrophobicContact CE1-CB 4.1Å; Y107-A111 HydrophobicContact CE2-CB 3.96Å; Y107-A111 WeakPolarHBondContact O-CA 3.34Å; Y107-A111 WeakPolarHBondContact O-CB 3.29Å; Y107-A111 PolarHBondContact O-N 2.83Å; Y107-V118 HydrophobicContact CD2-CB 4.21Å; Y107-V118 HydrophobicContact CD2-CG1 3.52Å; Y107-V118 HydrophobicContact CE2-CB 4.13Å; Y107-V118 HydrophobicContact CE2-CG1 3.9Å; Y107-V118 HydrophobicContact CG-CG1 4.46Å; Y107-V127 HydrophobicContact CD2-CG1 4.03Å; Y107-V127 HydrophobicContact CD2-CG2 4.39Å; Y107-V127 HydrophobicContact CE2-CG1 3.75Å; Y107-I130 HydrophobicContact CD1-CG2 4.29Å; Y107-I130 HydrophobicContact CG-CG2 4.22Å; Y107-L131 HydrophobicContact CD1-CD2 4.43Å; Y107-L131 HydrophobicContact CE1-CD2 3.67Å; Y107-L131 HydrophobicContact CE2-CD2 4.31Å; Y107-F134 HydrophobicContact CD1-CE2 4.05Å; Y107-F134 HydrophobicContact CD1-CZ 4.09Å; Y107-F134 AromaticContact CE1-CE2 3.92Å; Y107-F134 HydrophobicContact CE1-CE2 3.92Å; Y107-F134 HydrophobicContact CE1-CZ 4.44Å |
| 108 | L | 95.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | -178.7 | -68.9 | 164.2 | 0 | 0 | 0 | 112.1 | A104 K105 D110 A111 L112 Y193 V194 I197 F198 | A104-L108 WeakPolarHBondContact O-CG 3.32Å; A104-L108 PolarHBondContact O-N 2.64Å; K105-L108 PolarHBondContact O-N 2.98Å; L108-D110 VanDerWaalsContact C-N 3.33Å; L108-D110 PolarHBondContact O-N 3.14Å; L108-A111 PolarHBondContact O-N 3.41Å; L108-L112 WeakPolarHBondContact O-CB 3.49Å; L108-L112 PolarHBondContact O-N 3.1Å; L108-Y193 HydrophobicContact CB-CE1 4.26Å; L108-Y193 HydrophobicContact CD1-CD1 3.86Å; L108-Y193 HydrophobicContact CD1-CE1 4.34Å; L108-V194 HydrophobicContact CD1-CG2 3.52Å; L108-I197 HydrophobicContact CB-CD1 4.11Å; L108-I197 HydrophobicContact CB-CG2 4.44Å; L108-I197 HydrophobicContact CD1-CG2 4.49Å; L108-F198 HydrophobicContact CD2-CE2 4.4Å |
| 109 | D | 94.7 | Very high | 93.5 | Very high | 40 Ų | 40 | 25.2 Ų | 25.2 | 21% | 0.214 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -56.9 | -46 | 176.5 | -68.8 | -17.2 | 0 | 0 | 0 | 111.2 | R66 K105 A106 S113 Y193 I197 | R66-D109 IonicContact CZ-OD2 2.81Å; R66-D109 IonicContact NE-OD2 3.65Å; R66-D109 PolarHBondContact NE-OD2 3.31Å; R66-D109 IonicContact NH2-OD2 4Å; R66-D109 PolarHBondContact NH2-OD2 3.38Å; K105-D109 WeakPolarHBondContact O-CB 3.39Å; K105-D109 PolarHBondContact O-N 3.48Å; A106-D109 PolarHBondContact O-N 3.44Å; D109-S113 VanDerWaalsContact O-CB 3.23Å; D109-S113 WeakPolarHBondContact O-CB 3.45Å; D109-S113 PolarHBondContact O-OG 3.46Å; D109-Y193 PolarHBondContact OD1-OH 2.93Å; D109-Y193 PolarHBondContact OD2-OH 3.44Å; D109-I197 WeakPolarHBondContact OD1-CD1 3.47Å |
| 110 | D | 93.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 28.7 Ų | 28.7 | 5% | 0.053 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -76.4 | -42.5 | 177.6 | -168.8 | 64.5 | 0 | 0 | 0 | 112.2 | A106 Y107 L108 L112 S113 R115 S116 W117 V118 | A106-D110 PolarHBondContact O-N 3.16Å; A106-D110 VanDerWaalsContact O-N 3.13Å; Y107-D110 PolarHBondContact O-N 3.31Å; L108-D110 VanDerWaalsContact C-N 3.33Å; L108-D110 PolarHBondContact O-N 3.14Å; D110-L112 VanDerWaalsContact C-N 3.27Å; D110-L112 PolarHBondContact O-N 2.73Å; D110-S113 WeakPolarHBondContact CA-OG 3.15Å; D110-S113 PolarHBondContact O-N 2.93Å; D110-S113 VanDerWaalsContact O-N 3.15Å; D110-S113 PolarHBondContact O-OG 2.77Å; D110-R115 VanDerWaalsContact O-CA 3.28Å; D110-R115 WeakPolarHBondContact O-CA 3.45Å; D110-R115 WeakPolarHBondContact O-CG 3.38Å; D110-R115 PolarHBondContact O-N 3.11Å; D110-R115 VanDerWaalsContact OD2-C 3.28Å; D110-R115 WeakPolarHBondContact OD2-CA 3.31Å; D110-S116 VanDerWaalsContact CG-N 3.33Å; D110-S116 WeakPolarHBondContact OD1-CB 3.26Å; D110-S116 PolarHBondContact OD1-N 3.08Å; D110-S116 PolarHBondContact OD1-OG 3.19Å; D110-S116 PolarHBondContact OD2-N 2.82Å; D110-W117 HydrophobicContact CB-CD2 4.42Å; D110-W117 HydrophobicContact CB-CZ2 3.98Å; D110-W117 VanDerWaalsContact CG-CD1 3.44Å; D110-W117 PolarHBondContact OD2-N 3.46Å; D110-V118 HydrophobicContact CB-CG1 3.85Å; D110-V118 VanDerWaalsContact OD2-CG1 3.3Å; D110-V118 WeakPolarHBondContact OD2-CG1 3.34Å; D110-V118 WeakPolarHBondContact OD2-CG2 3.16Å; D110-V118 PolarHBondContact OD2-N 3.3Å |
| 111 | A | 93.1 | Very high | 93 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.8 | -24.1 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y107 L108 R115 V118 T216 | Y107-A111 HydrophobicContact CD2-CB 4.39Å; Y107-A111 HydrophobicContact CE1-CB 4.1Å; Y107-A111 HydrophobicContact CE2-CB 3.96Å; Y107-A111 WeakPolarHBondContact O-CA 3.34Å; Y107-A111 WeakPolarHBondContact O-CB 3.29Å; Y107-A111 PolarHBondContact O-N 2.83Å; L108-A111 PolarHBondContact O-N 3.41Å; A111-R115 PolarHBondContact O-NE 3.04Å; A111-V118 HydrophobicContact CB-CG1 4.37Å; A111-V118 HydrophobicContact CB-CG2 4.26Å; A111-T216 HydrophobicContact CB-CG2 3.63Å; A111-T216 PolarHBondContact O-OG1 2.66Å |
| 112 | L | 92.3 | Very high | 92.9 | Very high | 16 Ų | 16 | 36.7 Ų | 36.7 | 8% | 0.084 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -2.9 | 176.9 | -65.4 | 177.7 | 0 | 0 | 0 | 113.7 | L108 D110 I197 F198 W201 V213 T216 | L108-L112 WeakPolarHBondContact O-CB 3.49Å; L108-L112 PolarHBondContact O-N 3.1Å; D110-L112 VanDerWaalsContact C-N 3.27Å; D110-L112 PolarHBondContact O-N 2.73Å; L112-I197 HydrophobicContact CD1-CD1 4.06Å; L112-I197 HydrophobicContact CD1-CG1 3.95Å; L112-I197 HydrophobicContact CD1-CG2 3.92Å; L112-F198 HydrophobicContact CD1-CD1 4.29Å; L112-F198 HydrophobicContact CD1-CE1 4.11Å; L112-F198 HydrophobicContact CD1-CZ 4.31Å; L112-F198 HydrophobicContact CD2-CE1 3.79Å; L112-F198 HydrophobicContact CD2-CZ 4.22Å; L112-W201 PolarHBondContact O-NE1 3.02Å; L112-V213 HydrophobicContact CD2-CG1 3.98Å; L112-T216 HydrophobicContact CD2-CG2 3.72Å; L112-T216 HydrophobicContact CG-CG2 4.1Å |
| 113 | S | 89.6 | Confident | 92.8 | Very high | 71 Ų | 71 | 35 Ų | 35 | 50% | 0.497 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -123.1 | 177.1 | 65.3 | 0 | 0 | 0 | 0 | 111.5 | D109 D110 | D109-S113 VanDerWaalsContact O-CB 3.23Å; D109-S113 WeakPolarHBondContact O-CB 3.45Å; D109-S113 PolarHBondContact O-OG 3.46Å; D110-S113 WeakPolarHBondContact CA-OG 3.15Å; D110-S113 PolarHBondContact O-N 2.93Å; D110-S113 VanDerWaalsContact O-N 3.15Å; D110-S113 PolarHBondContact O-OG 2.77Å |
| 114 | E | 86.4 | Confident | 92.5 | Very high | 151 Ų | 151 | 38 Ų | 38 | 71% | 0.706 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | -5.6 | -175.3 | -61.9 | -65.6 | 152.6 | 0 | 0 | 113.1 | F75 S116 | F75-E114 HydrophobicContact CE2-CB 3.77Å; F75-E114 HydrophobicContact CZ-CB 4.28Å; E114-S116 VanDerWaalsContact C-N 3.33Å; E114-S116 PolarHBondContact O-N 3.46Å |
| 115 | R | 89.8 | Confident | 92.3 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 9% | 0.091 | 21% | 0.208 | C | C | . | . | trans | 53.2 | 49 | 178.5 | -54.6 | -176 | 116.4 | -111.8 | 2.9 | 112.3 | D110 A111 W117 V118 D119 K212 T216 | D110-R115 VanDerWaalsContact O-CA 3.28Å; D110-R115 WeakPolarHBondContact O-CA 3.45Å; D110-R115 WeakPolarHBondContact O-CG 3.38Å; D110-R115 PolarHBondContact O-N 3.11Å; D110-R115 VanDerWaalsContact OD2-C 3.28Å; D110-R115 WeakPolarHBondContact OD2-CA 3.31Å; A111-R115 PolarHBondContact O-NE 3.04Å; R115-W117 VanDerWaalsContact C-N 3.34Å; R115-W117 PolarHBondContact O-N 3.04Å; R115-V118 HydrophobicContact CB-CG2 3.85Å; R115-V118 HydrophobicContact CG-CG2 4.18Å; R115-D119 IonicContact CZ-OD1 2.67Å; R115-D119 IonicContact CZ-OD2 3.88Å; R115-D119 IonicContact NH1-OD1 3.69Å; R115-D119 PolarHBondContact NH1-OD1 3.43Å; R115-D119 IonicContact NH1-OD2 2.8Å; R115-D119 PolarHBondContact NH1-OD2 2.96Å; R115-K212 VanDerWaalsContact CD-CB 3.45Å; R115-K212 PolarHBondContact NH2-O 3.35Å; R115-T216 PolarHBondContact NH2-OG1 3.1Å | ||
| 116 | S | 89.6 | Confident | 92.2 | Very high | 8 Ų | 8 | 39 Ų | 39 | 6% | 0.056 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -66.8 | -32.4 | -173.3 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | S79 D110 E114 | S79-S116 VanDerWaalsContact CB-O 3.26Å; S79-S116 WeakPolarHBondContact CB-O 3.4Å; S79-S116 PolarHBondContact OG-O 3.14Å; D110-S116 VanDerWaalsContact CG-N 3.33Å; D110-S116 WeakPolarHBondContact OD1-CB 3.26Å; D110-S116 PolarHBondContact OD1-N 3.08Å; D110-S116 PolarHBondContact OD1-OG 3.19Å; D110-S116 PolarHBondContact OD2-N 2.82Å; E114-S116 VanDerWaalsContact C-N 3.33Å; E114-S116 PolarHBondContact O-N 3.46Å |
| 117 | W | 93 | Very high | 92.1 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -133.4 | -20.2 | -174.6 | 63.7 | -100.7 | 0 | 0 | 0 | 114.3 | C82 C86 A106 D110 R115 D119 R120 S123 F126 V127 | C82-W117 HydrophobicContact CB-CB 3.61Å; C82-W117 VanDerWaalsContact CB-CD1 3.47Å; C82-W117 HydrophobicContact CB-CD2 4.43Å; C82-W117 HydrophobicContact CB-CG 3.56Å; C86-W117 VanDerWaalsContact SG-CE3 3.58Å; A106-W117 HydrophobicContact CB-CZ2 4.26Å; A106-W117 WeakPolarHBondContact O-CZ2 3.36Å; D110-W117 HydrophobicContact CB-CD2 4.42Å; D110-W117 HydrophobicContact CB-CZ2 3.98Å; D110-W117 VanDerWaalsContact CG-CD1 3.44Å; D110-W117 PolarHBondContact OD2-N 3.46Å; R115-W117 VanDerWaalsContact C-N 3.34Å; R115-W117 PolarHBondContact O-N 3.04Å; W117-D119 PolarHBondContact O-N 2.91Å; W117-R120 WeakPolarHBondContact O-CB 3.42Å; W117-R120 PolarHBondContact O-N 3.44Å; W117-R120 VanDerWaalsContact O-N 3.11Å; W117-S123 WeakPolarHBondContact O-CB 3.23Å; W117-S123 PolarHBondContact O-OG 3.13Å; W117-S123 VanDerWaalsContact O-OG 3.06Å; W117-F126 HydrophobicContact CH2-CD1 4.43Å; W117-F126 HydrophobicContact CH2-CE1 4.2Å; W117-F126 HydrophobicContact CZ3-CD1 4.09Å; W117-F126 HydrophobicContact CZ3-CE1 4.31Å; W117-V127 HydrophobicContact CE3-CG2 4.34Å; W117-V127 HydrophobicContact CZ3-CG2 3.75Å |
| 118 | V | 92.5 | Very high | 91.7 | Very high | 11 Ų | 11 | 42.7 Ų | 42.7 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -25.6 | -177.3 | -67.1 | 0 | 0 | 0 | 0 | 113.9 | Y107 D110 A111 R115 V127 | Y107-V118 HydrophobicContact CD2-CB 4.21Å; Y107-V118 HydrophobicContact CD2-CG1 3.52Å; Y107-V118 HydrophobicContact CE2-CB 4.13Å; Y107-V118 HydrophobicContact CE2-CG1 3.9Å; Y107-V118 HydrophobicContact CG-CG1 4.46Å; D110-V118 HydrophobicContact CB-CG1 3.85Å; D110-V118 VanDerWaalsContact OD2-CG1 3.3Å; D110-V118 WeakPolarHBondContact OD2-CG1 3.34Å; D110-V118 WeakPolarHBondContact OD2-CG2 3.16Å; D110-V118 PolarHBondContact OD2-N 3.3Å; A111-V118 HydrophobicContact CB-CG1 4.37Å; A111-V118 HydrophobicContact CB-CG2 4.26Å; R115-V118 HydrophobicContact CB-CG2 3.85Å; R115-V118 HydrophobicContact CG-CG2 4.18Å; V118-V127 HydrophobicContact CB-CG2 4.42Å |
| 119 | D | 89.6 | Confident | 91.4 | Very high | 55 Ų | 55 | 43 Ų | 43 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -2.7 | 178.2 | -67.9 | -34.2 | 0 | 0 | 0 | 113.4 | R115 W117 K212 | R115-D119 IonicContact CZ-OD1 2.67Å; R115-D119 IonicContact CZ-OD2 3.88Å; R115-D119 IonicContact NH1-OD1 3.69Å; R115-D119 PolarHBondContact NH1-OD1 3.43Å; R115-D119 IonicContact NH1-OD2 2.8Å; R115-D119 PolarHBondContact NH1-OD2 2.96Å; W117-D119 PolarHBondContact O-N 2.91Å; D119-K212 VanDerWaalsContact OD2-CD 3.3Å; D119-K212 WeakPolarHBondContact OD2-CD 3.3Å; D119-K212 WeakPolarHBondContact OD2-CE 3.37Å; D119-K212 IonicContact OD2-NZ 3.13Å; D119-K212 PolarHBondContact OD2-NZ 3.04Å |
| 120 | R | 91.6 | Very high | 91.4 | Very high | 75 Ų | 75 | 41.1 Ų | 41.1 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | trans | -74.5 | 135.1 | -179.3 | -71.3 | -71.3 | -46.4 | -156.1 | 4.7 | 110.3 | C83 W117 E122 S123 K124 | C83-R120 WeakPolarHBondContact SG-CB 3.4Å; C83-R120 VanDerWaalsContact SG-CG 3.53Å; W117-R120 WeakPolarHBondContact O-CB 3.42Å; W117-R120 PolarHBondContact O-N 3.44Å; W117-R120 VanDerWaalsContact O-N 3.11Å; R120-E122 IonicContact CZ-OE1 2.84Å; R120-E122 IonicContact CZ-OE2 2.67Å; R120-E122 VanDerWaalsContact CZ-OE2 3.3Å; R120-E122 IonicContact NE-OE2 3.7Å; R120-E122 PolarHBondContact NE-OE2 3.04Å; R120-E122 IonicContact NH2-OE1 3.19Å; R120-E122 PolarHBondContact NH2-OE1 3.24Å; R120-E122 IonicContact NH2-OE2 3.16Å; R120-E122 PolarHBondContact NH2-OE2 3.31Å; R120-E122 PolarHBondContact O-N 2.86Å; R120-E122 VanDerWaalsContact O-N 3.17Å; R120-S123 PolarHBondContact O-N 3.19Å; R120-K124 PolarHBondContact O-N 3.17Å | ||
| 121 | Q | 89.9 | Confident | 91.3 | Very high | 134 Ų | 134 | 41.2 Ų | 41.2 | 63% | 0.626 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -57.1 | -33.3 | 177.9 | -179.6 | 62.7 | 11.3 | 0 | 0 | 112.2 | S123 K124 | Q121-S123 VanDerWaalsContact C-N 3.33Å; Q121-S123 PolarHBondContact O-N 3.29Å; Q121-K124 WeakPolarHBondContact O-CB 3.07Å; Q121-K124 PolarHBondContact O-N 3.46Å |
| 122 | E | 92.3 | Very high | 90.9 | Very high | 92 Ų | 92 | 41.8 Ų | 41.8 | 43% | 0.43 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -68.6 | -30.6 | 178.9 | -60.1 | 82.5 | 177.2 | 0 | 0 | 112.8 | C83 R120 K124 | C83-E122 HydrophobicContact CB-CB 3.87Å; R120-E122 IonicContact CZ-OE1 2.84Å; R120-E122 IonicContact CZ-OE2 2.67Å; R120-E122 VanDerWaalsContact CZ-OE2 3.3Å; R120-E122 IonicContact NE-OE2 3.7Å; R120-E122 PolarHBondContact NE-OE2 3.04Å; R120-E122 IonicContact NH2-OE1 3.19Å; R120-E122 PolarHBondContact NH2-OE1 3.24Å; R120-E122 IonicContact NH2-OE2 3.16Å; R120-E122 PolarHBondContact NH2-OE2 3.31Å; R120-E122 PolarHBondContact O-N 2.86Å; R120-E122 VanDerWaalsContact O-N 3.17Å; E122-K124 VanDerWaalsContact C-N 3.35Å |
| 123 | S | 94.2 | Very high | 90.7 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -86.6 | -8.4 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 112.7 | C83 W117 R120 Q121 A125 F126 V127 | C83-S123 PolarHBondContact SG-OG 2.72Å; W117-S123 WeakPolarHBondContact O-CB 3.23Å; W117-S123 PolarHBondContact O-OG 3.13Å; W117-S123 VanDerWaalsContact O-OG 3.06Å; R120-S123 PolarHBondContact O-N 3.19Å; Q121-S123 VanDerWaalsContact C-N 3.33Å; Q121-S123 PolarHBondContact O-N 3.29Å; S123-A125 PolarHBondContact O-N 2.89Å; S123-F126 WeakPolarHBondContact O-CB 3.45Å; S123-F126 PolarHBondContact O-N 2.73Å; S123-V127 WeakPolarHBondContact O-CG2 3.37Å; S123-V127 PolarHBondContact O-N 3.21Å |
| 124 | K | 90.5 | Very high | 90.8 | Very high | 63 Ų | 63 | 38 Ų | 38 | 27% | 0.274 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -56.9 | -42.7 | -167.8 | -174.3 | 173 | -176.2 | 167.1 | 0 | 113.8 | R120 Q121 E122 F126 V127 K128 S164 | R120-K124 PolarHBondContact O-N 3.17Å; Q121-K124 WeakPolarHBondContact O-CB 3.07Å; Q121-K124 PolarHBondContact O-N 3.46Å; E122-K124 VanDerWaalsContact C-N 3.35Å; K124-F126 VanDerWaalsContact C-N 3.33Å; K124-F126 PolarHBondContact O-N 3.28Å; K124-V127 PolarHBondContact O-N 2.94Å; K124-K128 VanDerWaalsContact O-CB 3.22Å; K124-K128 WeakPolarHBondContact O-CB 3.3Å; K124-K128 PolarHBondContact O-N 3.11Å; K124-S164 WeakPolarHBondContact CE-O 3.31Å; K124-S164 PolarHBondContact NZ-O 3.46Å |
| 125 | A | 91.2 | Very high | 90.8 | Very high | 60 Ų | 60 | 33.1 Ų | 33.1 | 50% | 0.496 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -63.2 | -41.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M90 S123 A129 | M90-A125 HydrophobicContact CG-CB 4.09Å; M90-A125 HydrophobicContact SD-CB 4.28Å; S123-A125 PolarHBondContact O-N 2.89Å; A125-A129 PolarHBondContact O-N 2.81Å; A125-A129 VanDerWaalsContact O-N 3.13Å |
| 126 | F | 94.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 0% | 0.004 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.9 | -47.2 | 177.6 | -177.3 | -111.1 | 0 | 0 | 0 | 111.6 | L65 C86 M89 M90 W99 F103 W117 S123 K124 K128 A129 I130 | L65-F126 HydrophobicContact CD1-CE1 4.33Å; L65-F126 HydrophobicContact CD1-CZ 4.35Å; C86-F126 HydrophobicContact CB-CB 3.99Å; C86-F126 HydrophobicContact CB-CD1 3.84Å; C86-F126 HydrophobicContact CB-CG 4.01Å; C86-F126 VanDerWaalsContact SG-CD1 3.53Å; M89-F126 HydrophobicContact CB-CD2 4.34Å; M89-F126 HydrophobicContact CB-CE2 3.88Å; M89-F126 HydrophobicContact CB-CZ 4.46Å; M90-F126 HydrophobicContact CB-CB 4.24Å; M90-F126 HydrophobicContact CB-CD2 4.31Å; M90-F126 HydrophobicContact SD-CB 4.42Å; W99-F126 AromaticContact CH2-CD2 3.99Å; W99-F126 HydrophobicContact CH2-CD2 3.99Å; W99-F126 HydrophobicContact CH2-CE2 4.22Å; W99-F126 AromaticContact CZ3-CD2 3.89Å; W99-F126 HydrophobicContact CZ3-CD2 3.89Å; W99-F126 AromaticContact CZ3-CE2 3.8Å; W99-F126 HydrophobicContact CZ3-CE2 3.8Å; F103-F126 HydrophobicContact CB-CE2 4.38Å; F103-F126 HydrophobicContact CB-CZ 3.85Å; F103-F126 AromaticContact CD1-CE2 4Å; F103-F126 HydrophobicContact CD1-CE2 4Å; F103-F126 AromaticContact CD1-CZ 3.53Å; F103-F126 HydrophobicContact CD1-CZ 3.53Å; F103-F126 AromaticContact CD2-CE2 3.93Å; F103-F126 HydrophobicContact CD2-CE2 3.93Å; F103-F126 HydrophobicContact CD2-CZ 4.15Å; F103-F126 HydrophobicContact CE1-CE2 4.15Å; F103-F126 HydrophobicContact CE1-CZ 4.01Å; F103-F126 HydrophobicContact CE2-CE2 4.1Å; F103-F126 AromaticContact CG-CE2 3.87Å; F103-F126 HydrophobicContact CG-CE2 3.87Å; F103-F126 AromaticContact CG-CZ 3.59Å; F103-F126 HydrophobicContact CG-CZ 3.59Å; F103-F126 HydrophobicContact CZ-CE2 4.21Å; W117-F126 HydrophobicContact CH2-CD1 4.43Å; W117-F126 HydrophobicContact CH2-CE1 4.2Å; W117-F126 HydrophobicContact CZ3-CD1 4.09Å; W117-F126 HydrophobicContact CZ3-CE1 4.31Å; S123-F126 WeakPolarHBondContact O-CB 3.45Å; S123-F126 PolarHBondContact O-N 2.73Å; K124-F126 VanDerWaalsContact C-N 3.33Å; K124-F126 PolarHBondContact O-N 3.28Å; F126-K128 VanDerWaalsContact C-N 3.35Å; F126-K128 PolarHBondContact O-N 2.83Å; F126-A129 PolarHBondContact O-N 3.25Å; F126-I130 HydrophobicContact CD1-CD1 3.85Å; F126-I130 HydrophobicContact CE1-CD1 3.51Å; F126-I130 HydrophobicContact CE2-CD1 4.43Å; F126-I130 HydrophobicContact CG-CD1 4.46Å; F126-I130 HydrophobicContact CZ-CD1 3.83Å; F126-I130 WeakPolarHBondContact O-CG1 3.32Å; F126-I130 PolarHBondContact O-N 2.86Å; F126-I130 VanDerWaalsContact O-N 3.14Å |
| 127 | V | 93.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 7% | 0.073 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -43.3 | 176.1 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | Y107 W117 V118 S123 K124 A129 I130 L131 | Y107-V127 HydrophobicContact CD2-CG1 4.03Å; Y107-V127 HydrophobicContact CD2-CG2 4.39Å; Y107-V127 HydrophobicContact CE2-CG1 3.75Å; W117-V127 HydrophobicContact CE3-CG2 4.34Å; W117-V127 HydrophobicContact CZ3-CG2 3.75Å; V118-V127 HydrophobicContact CB-CG2 4.42Å; S123-V127 WeakPolarHBondContact O-CG2 3.37Å; S123-V127 PolarHBondContact O-N 3.21Å; K124-V127 PolarHBondContact O-N 2.94Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 3.13Å; V127-I130 PolarHBondContact O-N 3.2Å; V127-L131 HydrophobicContact CG1-CD1 3.88Å; V127-L131 HydrophobicContact CG1-CG 4.19Å; V127-L131 WeakPolarHBondContact O-CG 3.19Å; V127-L131 PolarHBondContact O-N 3Å |
| 128 | K | 88.3 | Confident | 89.9 | Confident | 72 Ų | 72 | 36.1 Ų | 36.1 | 31% | 0.313 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -55.4 | -46.8 | 175.3 | 165.2 | 156.1 | -165.7 | 157.5 | 0 | 111.8 | K124 F126 I130 L131 A132 S168 D170 | K124-K128 VanDerWaalsContact O-CB 3.22Å; K124-K128 WeakPolarHBondContact O-CB 3.3Å; K124-K128 PolarHBondContact O-N 3.11Å; F126-K128 VanDerWaalsContact C-N 3.35Å; F126-K128 PolarHBondContact O-N 2.83Å; K128-I130 VanDerWaalsContact C-N 3.35Å; K128-I130 PolarHBondContact O-N 2.87Å; K128-L131 PolarHBondContact O-N 2.75Å; K128-A132 WeakPolarHBondContact O-CB 3.49Å; K128-A132 PolarHBondContact O-N 3.46Å; K128-S168 WeakPolarHBondContact CD-O 3.35Å; K128-S168 WeakPolarHBondContact CE-O 3.47Å; K128-S168 WeakPolarHBondContact CG-O 3.32Å; K128-S168 PolarHBondContact NZ-O 2.82Å; K128-D170 IonicContact NZ-OD2 3.48Å |
| 129 | A | 90.3 | Very high | 89.1 | Confident | 8 Ų | 8 | 36 Ų | 36 | 7% | 0.066 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65 | -37.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | M90 W99 A125 F126 V127 S133 | M90-A129 HydrophobicContact CE-CB 4.44Å; M90-A129 HydrophobicContact SD-CB 4.2Å; W99-A129 HydrophobicContact CH2-CB 3.31Å; W99-A129 HydrophobicContact CZ2-CB 3.98Å; W99-A129 HydrophobicContact CZ3-CB 3.65Å; A125-A129 PolarHBondContact O-N 2.81Å; A125-A129 VanDerWaalsContact O-N 3.13Å; F126-A129 PolarHBondContact O-N 3.25Å; V127-A129 VanDerWaalsContact C-N 3.34Å; V127-A129 PolarHBondContact O-N 3.13Å; A129-S133 PolarHBondContact O-OG 3.42Å |
| 130 | I | 93.2 | Very high | 88.5 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.5 | -53.2 | 174.7 | -66.2 | 167.4 | 0 | 0 | 0 | 110.3 | W99 F103 A104 Y107 F126 V127 K128 A132 S133 F134 F183 | W99-I130 HydrophobicContact CE3-CG1 4.38Å; W99-I130 HydrophobicContact CZ3-CG1 4.07Å; F103-I130 HydrophobicContact CB-CD1 4.1Å; F103-I130 HydrophobicContact CB-CG1 4.25Å; F103-I130 WeakPolarHBondContact O-CD1 3.44Å; A104-I130 HydrophobicContact CB-CG2 4.41Å; Y107-I130 HydrophobicContact CD1-CG2 4.29Å; Y107-I130 HydrophobicContact CG-CG2 4.22Å; F126-I130 HydrophobicContact CD1-CD1 3.85Å; F126-I130 HydrophobicContact CE1-CD1 3.51Å; F126-I130 HydrophobicContact CE2-CD1 4.43Å; F126-I130 HydrophobicContact CG-CD1 4.46Å; F126-I130 HydrophobicContact CZ-CD1 3.83Å; F126-I130 WeakPolarHBondContact O-CG1 3.32Å; F126-I130 PolarHBondContact O-N 2.86Å; F126-I130 VanDerWaalsContact O-N 3.14Å; V127-I130 PolarHBondContact O-N 3.2Å; K128-I130 VanDerWaalsContact C-N 3.35Å; K128-I130 PolarHBondContact O-N 2.87Å; I130-A132 VanDerWaalsContact C-N 3.34Å; I130-A132 PolarHBondContact O-N 3.25Å; I130-S133 WeakPolarHBondContact O-CA 3.44Å; I130-S133 WeakPolarHBondContact O-CB 3.36Å; I130-S133 PolarHBondContact O-N 3.17Å; I130-F134 HydrophobicContact CG2-CE1 3.84Å; I130-F134 HydrophobicContact CG2-CE2 4.48Å; I130-F134 HydrophobicContact CG2-CZ 3.73Å; I130-F183 HydrophobicContact CB-CE2 4.45Å; I130-F183 HydrophobicContact CG1-CZ 4.28Å; I130-F183 HydrophobicContact CG2-CE2 4.08Å; I130-F183 HydrophobicContact CG2-CZ 4.38Å |
| 131 | L | 91.5 | Very high | 87.8 | Confident | 11 Ų | 11 | 37.1 Ų | 37.1 | 6% | 0.058 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.2 | -37.1 | -175.7 | -69.8 | -177 | 0 | 0 | 0 | 112.9 | Y107 V127 K128 S133 F134 A219 | Y107-L131 HydrophobicContact CD1-CD2 4.43Å; Y107-L131 HydrophobicContact CE1-CD2 3.67Å; Y107-L131 HydrophobicContact CE2-CD2 4.31Å; V127-L131 HydrophobicContact CG1-CD1 3.88Å; V127-L131 HydrophobicContact CG1-CG 4.19Å; V127-L131 WeakPolarHBondContact O-CG 3.19Å; V127-L131 PolarHBondContact O-N 3Å; K128-L131 PolarHBondContact O-N 2.75Å; L131-S133 PolarHBondContact O-N 3.3Å; L131-S133 VanDerWaalsContact O-N 3.14Å; L131-F134 HydrophobicContact CD2-CD2 3.78Å; L131-F134 HydrophobicContact CD2-CE2 3.8Å; L131-F134 WeakPolarHBondContact O-CB 3.31Å; L131-F134 PolarHBondContact O-N 3.06Å; L131-A219 HydrophobicContact CD1-CB 4.47Å; L131-A219 HydrophobicContact CD2-CB 3.87Å |
| 132 | A | 86.1 | Confident | 87.1 | Confident | 13 Ų | 13 | 35.4 Ų | 35.4 | 11% | 0.107 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.2 | -26 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | K128 I130 T171 V179 | K128-A132 WeakPolarHBondContact O-CB 3.49Å; K128-A132 PolarHBondContact O-N 3.46Å; I130-A132 VanDerWaalsContact C-N 3.34Å; I130-A132 PolarHBondContact O-N 3.25Å; A132-T171 HydrophobicContact CB-CG2 3.82Å; A132-V179 HydrophobicContact CB-CB 4.43Å; A132-V179 HydrophobicContact CB-CG1 4.27Å |
| 133 | S | 88 | Confident | 86.3 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -2.8 | -179.4 | -55.1 | 0 | 0 | 0 | 0 | 113.4 | A129 I130 L131 G135 N181 R182 | A129-S133 PolarHBondContact O-OG 3.42Å; I130-S133 WeakPolarHBondContact O-CA 3.44Å; I130-S133 WeakPolarHBondContact O-CB 3.36Å; I130-S133 PolarHBondContact O-N 3.17Å; L131-S133 PolarHBondContact O-N 3.3Å; L131-S133 VanDerWaalsContact O-N 3.14Å; S133-G135 VanDerWaalsContact C-N 3.3Å; S133-N181 WeakPolarHBondContact CB-OD1 3.39Å; S133-N181 VanDerWaalsContact O-CG 3.31Å; S133-N181 PolarHBondContact O-ND2 2.85Å; S133-N181 PolarHBondContact O-OD1 3.34Å; S133-R182 PolarHBondContact OG-N 2.86Å |
| 134 | F | 90.3 | Very high | 85.3 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -6.7 | 175.9 | -70.9 | -2.9 | 0 | 0 | 0 | 113.4 | A104 Y107 I130 L131 T136 F183 V190 F223 | A104-F134 HydrophobicContact CB-CE1 3.87Å; A104-F134 HydrophobicContact CB-CZ 4.17Å; Y107-F134 HydrophobicContact CD1-CE2 4.05Å; Y107-F134 HydrophobicContact CD1-CZ 4.09Å; Y107-F134 AromaticContact CE1-CE2 3.92Å; Y107-F134 HydrophobicContact CE1-CE2 3.92Å; Y107-F134 HydrophobicContact CE1-CZ 4.44Å; I130-F134 HydrophobicContact CG2-CE1 3.84Å; I130-F134 HydrophobicContact CG2-CE2 4.48Å; I130-F134 HydrophobicContact CG2-CZ 3.73Å; L131-F134 HydrophobicContact CD2-CD2 3.78Å; L131-F134 HydrophobicContact CD2-CE2 3.8Å; L131-F134 WeakPolarHBondContact O-CB 3.31Å; L131-F134 PolarHBondContact O-N 3.06Å; F134-T136 PolarHBondContact O-N 2.93Å; F134-F183 HydrophobicContact CE1-CD2 4.49Å; F134-F183 HydrophobicContact CE1-CE2 4.26Å; F134-V190 HydrophobicContact CE1-CG1 4.09Å; F134-F223 HydrophobicContact CB-CE2 3.81Å; F134-F223 HydrophobicContact CB-CZ 4.29Å; F134-F223 AromaticContact CD1-CE2 3.88Å; F134-F223 HydrophobicContact CD1-CE2 3.88Å; F134-F223 AromaticContact CD1-CZ 3.94Å; F134-F223 HydrophobicContact CD1-CZ 3.94Å; F134-F223 HydrophobicContact CD2-CE2 4.02Å; F134-F223 HydrophobicContact CE1-CE2 4.43Å; F134-F223 HydrophobicContact CE1-CZ 4.48Å; F134-F223 AromaticContact CG-CE2 3.65Å; F134-F223 HydrophobicContact CG-CE2 3.65Å; F134-F223 HydrophobicContact CG-CZ 4.14Å |
| 135 | G | 86.1 | Confident | 84.6 | Confident | 49 Ų | 49 | 33.3 Ų | 33.3 | 51% | 0.505 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 11.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | S133 L137 | S133-G135 VanDerWaalsContact C-N 3.3Å; G135-L137 PolarHBondContact O-N 2.79Å |
| 136 | T | 89.4 | Confident | 83.8 | Confident | 13 Ų | 13 | 31.5 Ų | 31.5 | 8% | 0.08 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -71.3 | 118.9 | 177.1 | -60.6 | 0 | 0 | 0 | 0 | 110.1 | F134 A218 A219 T221 G222 N257 | F134-T136 PolarHBondContact O-N 2.93Å; T136-A218 WeakPolarHBondContact CG2-O 3.41Å; T136-A219 WeakPolarHBondContact CB-O 3.29Å; T136-A219 PolarHBondContact OG1-O 3.15Å; T136-T221 WeakPolarHBondContact CG2-OG1 3.43Å; T136-G222 PolarHBondContact OG1-N 3.42Å; T136-N257 WeakPolarHBondContact CA-OD1 3.45Å |
| 137 | L | 86.3 | Confident | 82.9 | Confident | 48 Ų | 48 | 31.5 Ų | 31.5 | 25% | 0.251 | 19% | 0.188 | S | C | . | . | P | Polyproline II helix | trans | -72.6 | 127.8 | 167.5 | -63.1 | -167.7 | 0 | 0 | 0 | 110.2 | G135 R256 N257 I259 | G135-L137 PolarHBondContact O-N 2.79Å; L137-R256 HydrophobicContact CB-CG 3.85Å; L137-R256 HydrophobicContact CD1-CG 4.37Å; L137-N257 PolarHBondContact N-OD1 3.48Å; L137-N257 PolarHBondContact O-ND2 2.92Å; L137-I259 HydrophobicContact CD1-CD1 3.3Å; L137-I259 HydrophobicContact CD1-CG1 4.21Å; L137-I259 HydrophobicContact CG-CD1 4.18Å |
| 138 | L | 78 | Confident | 81.7 | Confident | 35 Ų | 35 | 33.1 Ų | 33.1 | 18% | 0.183 | 20% | 0.196 | C | C | . | . | P | Polyproline II helix | trans | -75.2 | 149.8 | 169.9 | -69.2 | -178.2 | 0 | 0 | 0 | 111.4 | V166 S169 W249 | L138-V166 HydrophobicContact CD1-CG1 3.97Å; L138-V166 WeakPolarHBondContact CD1-O 3.48Å; L138-V166 HydrophobicContact CD2-CG1 3.88Å; L138-V166 HydrophobicContact CG-CG1 4.46Å; L138-S169 VanDerWaalsContact CD1-O 3.27Å; L138-S169 WeakPolarHBondContact CD1-O 3.16Å; L138-S169 WeakPolarHBondContact CD1-OG 3.43Å; L138-S169 WeakPolarHBondContact CD2-OG 3.5Å; L138-S169 WeakPolarHBondContact CG-OG 3.03Å; L138-W249 HydrophobicContact CD2-CZ2 4.08Å |
| 139 | P | 76.8 | Confident | 80.7 | Confident | 10 Ų | 10 | 35 Ų | 35 | 7% | 0.065 | 21% | 0.213 | C | C | . | . | P | Polyproline II helix | trans | -50.1 | 142.7 | 158 | -27.8 | 37.6 | 0 | 0 | 0 | 111.6 | W249 I252 | P139-W249 HydrophobicContact CB-CH2 4.03Å; P139-W249 HydrophobicContact CB-CZ3 3.95Å; P139-W249 HydrophobicContact CG-CE3 4.09Å; P139-W249 HydrophobicContact CG-CH2 3.45Å; P139-W249 VanDerWaalsContact CG-CH2 3.45Å; P139-W249 HydrophobicContact CG-CZ2 3.94Å; P139-W249 HydrophobicContact CG-CZ3 3.55Å; P139-I252 HydrophobicContact CB-CG2 3.75Å; P139-I252 HydrophobicContact CG-CB 4.17Å; P139-I252 HydrophobicContact CG-CG2 3.69Å |
| 140 | S | 77.2 | Confident | 79.4 | Confident | 32 Ų | 32 | 40.7 Ų | 40.7 | 22% | 0.224 | 24% | 0.238 | C | C | . | . | P | Polyproline II helix | trans | -63.6 | 156 | 175.4 | 71.2 | 0 | 0 | 0 | 0 | 112.1 | T142 A143 W144 E292 | S140-T142 PolarHBondContact O-N 3.17Å; S140-T142 PolarHBondContact OG-N 3.07Å; S140-T142 PolarHBondContact OG-OG1 2.69Å; S140-A143 PolarHBondContact O-N 3.48Å; S140-A143 VanDerWaalsContact O-N 3.13Å; S140-A143 PolarHBondContact OG-N 3.27Å; S140-W144 WeakPolarHBondContact O-CB 3.49Å; S140-W144 PolarHBondContact O-N 3.2Å; S140-E292 WeakPolarHBondContact CB-OE2 3.22Å; S140-E292 PolarHBondContact N-OE2 2.58Å; S140-E292 PolarHBondContact OG-OE1 3.4Å; S140-E292 PolarHBondContact OG-OE2 2.89Å |
| 141 | D | 75.9 | Confident | 78 | Confident | 121 Ų | 121 | 41.4 Ų | 41.4 | 65% | 0.647 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -56.5 | -32.9 | 171.3 | -70.1 | -26.4 | 0 | 0 | 0 | 111.9 | W144 N145 | D141-W144 WeakPolarHBondContact O-CB 3.42Å; D141-W144 PolarHBondContact O-N 3.42Å; D141-N145 WeakPolarHBondContact O-CB 3.38Å; D141-N145 PolarHBondContact O-N 2.61Å; D141-N145 PolarHBondContact O-ND2 3.48Å; D141-N145 VanDerWaalsContact O-ND2 3.11Å |
| 142 | T | 75.3 | Confident | 76.5 | Confident | 98 Ų | 98 | 47.5 Ų | 47.5 | 60% | 0.601 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -66.4 | -45 | 176.8 | 41.8 | 0 | 0 | 0 | 0 | 112.2 | S140 W144 A146 | S140-T142 PolarHBondContact O-N 3.17Å; S140-T142 PolarHBondContact OG-N 3.07Å; S140-T142 PolarHBondContact OG-OG1 2.69Å; T142-W144 VanDerWaalsContact C-N 3.27Å; T142-W144 PolarHBondContact O-N 2.71Å; T142-A146 WeakPolarHBondContact O-CB 3.3Å; T142-A146 PolarHBondContact O-N 2.87Å; T142-A146 VanDerWaalsContact O-N 3.07Å |
| 143 | A | 76.3 | Confident | 75.3 | Confident | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.008 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66.2 | -36.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S140 A146 L147 L288 E292 | S140-A143 PolarHBondContact O-N 3.48Å; S140-A143 VanDerWaalsContact O-N 3.13Å; S140-A143 PolarHBondContact OG-N 3.27Å; A143-A146 PolarHBondContact O-N 3.26Å; A143-L147 PolarHBondContact O-N 3.23Å; A143-L288 HydrophobicContact CB-CD1 3.97Å; A143-L288 HydrophobicContact CB-CD2 3.91Å; A143-L288 HydrophobicContact CB-CG 3.91Å; A143-L288 WeakPolarHBondContact O-CD2 3.39Å; A143-E292 VanDerWaalsContact CB-CD 3.46Å; A143-E292 HydrophobicContact CB-CG 3.46Å; A143-E292 VanDerWaalsContact CB-CG 3.46Å |
| 144 | W | 72.3 | Confident | 74.1 | Confident | 22 Ų | 22 | 59.5 Ų | 59.5 | 8% | 0.083 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.6 | -54.8 | 176.9 | -173.2 | -122.9 | 0 | 0 | 0 | 112.1 | S140 D141 T142 A146 L147 L148 V159 L162 W245 W249 | S140-W144 WeakPolarHBondContact O-CB 3.49Å; S140-W144 PolarHBondContact O-N 3.2Å; D141-W144 WeakPolarHBondContact O-CB 3.42Å; D141-W144 PolarHBondContact O-N 3.42Å; T142-W144 VanDerWaalsContact C-N 3.27Å; T142-W144 PolarHBondContact O-N 2.71Å; W144-A146 VanDerWaalsContact C-N 3.26Å; W144-A146 PolarHBondContact O-N 3.06Å; W144-L147 HydrophobicContact CE3-CD2 4.2Å; W144-L147 HydrophobicContact CZ3-CD2 3.81Å; W144-L147 WeakPolarHBondContact O-CB 3.46Å; W144-L147 PolarHBondContact O-N 3.11Å; W144-L148 HydrophobicContact CD2-CG 4.45Å; W144-L148 HydrophobicContact CH2-CD2 4.13Å; W144-L148 HydrophobicContact CZ2-CD1 4.34Å; W144-L148 HydrophobicContact CZ2-CD2 3.94Å; W144-L148 HydrophobicContact CZ2-CG 4.43Å; W144-L148 WeakPolarHBondContact O-CG 3.49Å; W144-L148 PolarHBondContact O-N 3.11Å; W144-L148 VanDerWaalsContact O-N 3.08Å; W144-V159 HydrophobicContact CZ2-CG1 4.11Å; W144-L162 HydrophobicContact CH2-CD2 3.11Å; W144-L162 HydrophobicContact CH2-CG 4.49Å; W144-L162 HydrophobicContact CZ2-CD2 3.71Å; W144-L162 HydrophobicContact CZ3-CD2 3.71Å; W144-W245 AromaticContact CH2-CE2 3.79Å; W144-W245 AromaticContact CH2-CZ2 3.61Å; W144-W245 HydrophobicContact CH2-CZ2 3.61Å; W144-W245 AromaticContact CH2-NE1 3.58Å; W144-W245 HydrophobicContact CZ2-CZ2 4.41Å; W144-W245 AromaticContact CZ3-NE1 3.92Å; W144-W249 HydrophobicContact CD2-CZ3 4.13Å; W144-W249 AromaticContact CE3-CE3 3.67Å; W144-W249 HydrophobicContact CE3-CE3 3.67Å; W144-W249 HydrophobicContact CE3-CH2 4.41Å; W144-W249 AromaticContact CE3-CZ3 3.27Å; W144-W249 HydrophobicContact CE3-CZ3 3.27Å; W144-W249 HydrophobicContact CH2-CE3 4.2Å; W144-W249 HydrophobicContact CH2-CZ3 4.25Å; W144-W249 HydrophobicContact CZ3-CD2 4.42Å; W144-W249 AromaticContact CZ3-CE3 3.29Å; W144-W249 HydrophobicContact CZ3-CE3 3.29Å; W144-W249 AromaticContact CZ3-CZ3 3.36Å; W144-W249 HydrophobicContact CZ3-CZ3 3.36Å |
| 145 | N | 76.3 | Confident | 72.9 | Confident | 88 Ų | 88 | 59.9 Ų | 59.9 | 47% | 0.471 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -59.6 | -37.4 | 178.5 | -69.4 | -30.7 | 0 | 0 | 0 | 111.9 | D141 L147 L148 V149 | D141-N145 WeakPolarHBondContact O-CB 3.38Å; D141-N145 PolarHBondContact O-N 2.61Å; D141-N145 PolarHBondContact O-ND2 3.48Å; D141-N145 VanDerWaalsContact O-ND2 3.11Å; N145-L147 VanDerWaalsContact C-N 3.34Å; N145-L147 PolarHBondContact O-N 3.19Å; N145-L148 PolarHBondContact O-N 2.86Å; N145-V149 WeakPolarHBondContact O-CB 3.16Å; N145-V149 VanDerWaalsContact O-CG2 3.25Å; N145-V149 WeakPolarHBondContact O-CG2 3.38Å; N145-V149 PolarHBondContact O-N 3.34Å |
| 146 | A | 74.3 | Confident | 71.6 | Confident | 21 Ų | 21 | 59 Ų | 59 | 17% | 0.174 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | T142 A143 W144 H150 L288 | T142-A146 WeakPolarHBondContact O-CB 3.3Å; T142-A146 PolarHBondContact O-N 2.87Å; T142-A146 VanDerWaalsContact O-N 3.07Å; A143-A146 PolarHBondContact O-N 3.26Å; W144-A146 VanDerWaalsContact C-N 3.26Å; W144-A146 PolarHBondContact O-N 3.06Å; A146-H150 WeakPolarHBondContact O-CB 3.21Å; A146-H150 PolarHBondContact O-CD2 2.94Å; A146-H150 PolarHBondContact O-N 3.49Å; A146-L288 HydrophobicContact CB-CD1 4.32Å; A146-L288 HydrophobicContact CB-CD2 4.1Å |
| 147 | L | 75.1 | Confident | 69.8 | Low | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66.2 | -38.9 | 175.3 | -171 | 71.7 | 0 | 0 | 0 | 111.8 | A143 W144 N145 F155 A248 I252 V285 | A143-L147 PolarHBondContact O-N 3.23Å; W144-L147 HydrophobicContact CE3-CD2 4.2Å; W144-L147 HydrophobicContact CZ3-CD2 3.81Å; W144-L147 WeakPolarHBondContact O-CB 3.46Å; W144-L147 PolarHBondContact O-N 3.11Å; N145-L147 VanDerWaalsContact C-N 3.34Å; N145-L147 PolarHBondContact O-N 3.19Å; L147-F155 HydrophobicContact CD1-CD2 3.86Å; L147-F155 HydrophobicContact CD1-CE2 3.35Å; L147-F155 HydrophobicContact CD1-CZ 4.04Å; L147-F155 HydrophobicContact CG-CD2 4.16Å; L147-F155 HydrophobicContact CG-CE2 4.16Å; L147-A248 HydrophobicContact CD1-CB 4.14Å; L147-I252 HydrophobicContact CD2-CD1 4.49Å; L147-V285 HydrophobicContact CD1-CG1 4.41Å; L147-V285 HydrophobicContact CD1-CG2 3.59Å |
| 148 | L | 69.5 | Low | 68.2 | Low | 47 Ų | 47 | 67.6 Ų | 67.6 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -72.3 | -45.3 | -178.7 | -61.2 | -172.3 | 0 | 0 | 0 | 113 | W144 N145 V159 | W144-L148 HydrophobicContact CD2-CG 4.45Å; W144-L148 HydrophobicContact CH2-CD2 4.13Å; W144-L148 HydrophobicContact CZ2-CD1 4.34Å; W144-L148 HydrophobicContact CZ2-CD2 3.94Å; W144-L148 HydrophobicContact CZ2-CG 4.43Å; W144-L148 WeakPolarHBondContact O-CG 3.49Å; W144-L148 PolarHBondContact O-N 3.11Å; W144-L148 VanDerWaalsContact O-N 3.08Å; N145-L148 PolarHBondContact O-N 2.86Å; L148-V159 HydrophobicContact CD1-CG1 3.86Å; L148-V159 HydrophobicContact CD2-CB 4.04Å; L148-V159 HydrophobicContact CD2-CG1 3.29Å; L148-V159 HydrophobicContact CD2-CG2 3.5Å; L148-V159 VanDerWaalsContact CD2-CG2 3.5Å; L148-V159 HydrophobicContact CG-CG1 4.2Å |
| 149 | V | 66.5 | Low | 66.9 | Low | 111 Ų | 111 | 67.4 Ų | 67.4 | 67% | 0.673 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -74.8 | -36.5 | -173 | 171.9 | 0 | 0 | 0 | 0 | 112 | N145 | N145-V149 WeakPolarHBondContact O-CB 3.16Å; N145-V149 VanDerWaalsContact O-CG2 3.25Å; N145-V149 WeakPolarHBondContact O-CG2 3.38Å; N145-V149 PolarHBondContact O-N 3.34Å |
| 150 | H | 62 | Low | 65.7 | Low | 128 Ų | 128 | 71.6 Ų | 71.6 | 59% | 0.593 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -89.6 | -11.5 | -169.5 | -75.3 | -69.2 | 0 | 0 | 0 | 115 | A146 | A146-H150 WeakPolarHBondContact O-CB 3.21Å; A146-H150 PolarHBondContact O-CD2 2.94Å; A146-H150 PolarHBondContact O-N 3.49Å |
| 151 | E | 64.6 | Low | 64.5 | Low | 14 Ų | 14 | 74.9 Ų | 74.9 | 7% | 0.065 | 40% | 0.402 | C | S | . | . | trans | -144.1 | 36.6 | -167.6 | -71.2 | -158.4 | -140.7 | 0 | 0 | 114 | E153 T154 F155 A281 H284 | E151-E153 PolarHBondContact O-N 3.47Å; E151-T154 PolarHBondContact O-N 3.45Å; E151-T154 VanDerWaalsContact O-N 3.08Å; E151-T154 WeakPolarHBondContact OE2-CB 3.42Å; E151-T154 PolarHBondContact OE2-OG1 2.81Å; E151-F155 HydrophobicContact CB-CD2 3.18Å; E151-F155 HydrophobicContact CB-CE2 3.31Å; E151-F155 HydrophobicContact CB-CG 4.14Å; E151-F155 HydrophobicContact CB-CZ 4.37Å; E151-F155 HydrophobicContact CG-CD2 4.14Å; E151-F155 HydrophobicContact CG-CE2 3.75Å; E151-F155 WeakPolarHBondContact O-CB 3.18Å; E151-F155 PolarHBondContact O-N 3.32Å; E151-F155 WeakPolarHBondContact OE2-CE2 3.38Å; E151-F155 WeakPolarHBondContact OE2-CZ 3.27Å; E151-A281 VanDerWaalsContact OE1-CA 3.23Å; E151-A281 WeakPolarHBondContact OE1-CA 3.27Å; E151-A281 VanDerWaalsContact OE1-O 3.12Å; E151-A281 WeakPolarHBondContact OE2-CB 3.15Å; E151-H284 IonicContact OE1-ND1 3.88Å | ||
| 152 | E | 61.1 | Low | 63.3 | Low | 139 Ų | 139 | 69.1 Ų | 69.1 | 65% | 0.65 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -55.4 | -37.9 | 176.1 | -150.3 | 175.9 | -160.1 | 0 | 0 | 112 | G156 | E152-G156 WeakPolarHBondContact O-CA 3.4Å; E152-G156 PolarHBondContact O-N 3.2Å |
| 153 | E | 59.7 | Low | 62.2 | Low | 201 Ų | 201 | 65.8 Ų | 65.8 | 94% | 0.939 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -67.6 | -36.7 | 176.2 | -65.5 | -176.7 | 172 | 0 | 0 | 113.5 | E151 | E151-E153 PolarHBondContact O-N 3.47Å |
| 154 | T | 62.7 | Low | 61.1 | Low | 64 Ų | 64 | 68.1 Ų | 68.1 | 39% | 0.393 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -85.7 | -34.5 | -177.1 | -46.3 | 0 | 0 | 0 | 0 | 112 | E151 P244 A281 | E151-T154 PolarHBondContact O-N 3.45Å; E151-T154 VanDerWaalsContact O-N 3.08Å; E151-T154 WeakPolarHBondContact OE2-CB 3.42Å; E151-T154 PolarHBondContact OE2-OG1 2.81Å; T154-P244 WeakPolarHBondContact O-CG 3.4Å; T154-A281 HydrophobicContact CG2-CB 3.96Å |
| 155 | F | 66 | Low | 60.1 | Low | 14 Ų | 14 | 69 Ų | 69 | 6% | 0.061 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -109.1 | -15.7 | -169.1 | -64.2 | -40.2 | 0 | 0 | 0 | 114.5 | L147 E151 P244 W245 A248 F282 V285 | L147-F155 HydrophobicContact CD1-CD2 3.86Å; L147-F155 HydrophobicContact CD1-CE2 3.35Å; L147-F155 HydrophobicContact CD1-CZ 4.04Å; L147-F155 HydrophobicContact CG-CD2 4.16Å; L147-F155 HydrophobicContact CG-CE2 4.16Å; E151-F155 HydrophobicContact CB-CD2 3.18Å; E151-F155 HydrophobicContact CB-CE2 3.31Å; E151-F155 HydrophobicContact CB-CG 4.14Å; E151-F155 HydrophobicContact CB-CZ 4.37Å; E151-F155 HydrophobicContact CG-CD2 4.14Å; E151-F155 HydrophobicContact CG-CE2 3.75Å; E151-F155 WeakPolarHBondContact O-CB 3.18Å; E151-F155 PolarHBondContact O-N 3.32Å; E151-F155 WeakPolarHBondContact OE2-CE2 3.38Å; E151-F155 WeakPolarHBondContact OE2-CZ 3.27Å; F155-P244 HydrophobicContact CD1-CB 4.08Å; F155-P244 HydrophobicContact CD1-CG 4.2Å; F155-P244 HydrophobicContact CE1-CB 3.97Å; F155-W245 HydrophobicContact CB-CB 3.81Å; F155-W245 HydrophobicContact CB-CG 4.19Å; F155-W245 VanDerWaalsContact CD1-CA 3.46Å; F155-W245 HydrophobicContact CD1-CB 3.66Å; F155-W245 HydrophobicContact CG-CB 3.93Å; F155-W245 HydrophobicContact CG-CG 4.45Å; F155-A248 HydrophobicContact CE1-CB 4.1Å; F155-A248 HydrophobicContact CZ-CB 4.03Å; F155-F282 HydrophobicContact CE1-CE1 4.29Å; F155-V285 HydrophobicContact CE2-CG2 3.97Å; F155-V285 HydrophobicContact CZ-CG2 3.7Å |
| 156 | G | 58.4 | Low | 58.8 | Low | 32 Ų | 32 | 65.5 Ų | 65.5 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | trans | 65.6 | 177.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | E152 D158 | E152-G156 WeakPolarHBondContact O-CA 3.4Å; E152-G156 PolarHBondContact O-N 3.2Å; G156-D158 PolarHBondContact O-N 3.08Å | ||
| 157 | Q | 51.1 | Low | 57.6 | Low | 153 Ų | 153 | 67.6 Ų | 67.6 | 72% | 0.715 | 37% | 0.371 | S | S | * | . | S | Bend | trans | -66.2 | 2.8 | -175.9 | -149.4 | 69.1 | 25 | 0 | 0 | 115.2 | V159 | Q157-V159 PolarHBondContact O-N 3.24Š|
| 158 | D | 53.9 | Low | 56.2 | Low | 88 Ų | 88 | 67.9 Ų | 67.9 | 47% | 0.471 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | 9.6 | -169.8 | -107.5 | 20.8 | 0 | 0 | 0 | 113.8 | G156 K211 W245 | G156-D158 PolarHBondContact O-N 3.08Å; D158-K211 PolarHBondContact O-NZ 2.78Å; D158-K211 IonicContact OD1-NZ 3.3Å; D158-K211 WeakPolarHBondContact OD2-CE 3.37Å; D158-K211 IonicContact OD2-NZ 3.97Å; D158-K211 PolarHBondContact OD2-NZ 2.94Å; D158-W245 WeakPolarHBondContact O-CH2 3.41Å |
| 159 | V | 50.5 | Low | 55 | Low | 30 Ų | 30 | 66.3 Ų | 66.3 | 18% | 0.182 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -39.1 | -171.7 | 170.6 | 0 | 0 | 0 | 0 | 113.2 | W144 L148 Q157 D161 L162 A163 | W144-V159 HydrophobicContact CZ2-CG1 4.11Å; L148-V159 HydrophobicContact CD1-CG1 3.86Å; L148-V159 HydrophobicContact CD2-CB 4.04Å; L148-V159 HydrophobicContact CD2-CG1 3.29Å; L148-V159 HydrophobicContact CD2-CG2 3.5Å; L148-V159 VanDerWaalsContact CD2-CG2 3.5Å; L148-V159 HydrophobicContact CG-CG1 4.2Å; Q157-V159 PolarHBondContact O-N 3.24Å; V159-D161 VanDerWaalsContact C-N 3.31Å; V159-D161 PolarHBondContact O-N 3.45Å; V159-L162 PolarHBondContact O-N 3.2Å; V159-L162 VanDerWaalsContact O-N 3.15Å; V159-A163 PolarHBondContact O-N 2.96Å; V159-A163 VanDerWaalsContact O-N 3.1Å |
| 160 | T | 50.9 | Low | 53.9 | Low | 99 Ų | 99 | 63.8 Ų | 63.8 | 61% | 0.607 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -61.6 | -39.3 | -169.7 | -43.9 | 0 | 0 | 0 | 0 | 112.1 | L162 S164 | T160-L162 VanDerWaalsContact C-N 3.3Å; T160-L162 PolarHBondContact O-N 3.01Å; T160-S164 PolarHBondContact O-N 2.87Å |
| 161 | D | 52.5 | Low | 53 | Low | 100 Ų | 100 | 58.9 Ų | 58.9 | 54% | 0.535 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.1 | -34.3 | -179.5 | -73.4 | -11.3 | 0 | 0 | 0 | 112 | V159 S164 I165 | V159-D161 VanDerWaalsContact C-N 3.31Å; V159-D161 PolarHBondContact O-N 3.45Å; D161-S164 WeakPolarHBondContact O-CB 3.49Å; D161-S164 PolarHBondContact O-OG 3.23Å; D161-I165 WeakPolarHBondContact O-CD1 3.41Å; D161-I165 VanDerWaalsContact O-CG1 3.31Å; D161-I165 WeakPolarHBondContact O-CG1 3.37Å; D161-I165 PolarHBondContact O-N 3.43Å |
| 162 | L | 50.4 | Low | 51.8 | Low | 1 Ų | 1 | 63.2 Ų | 63.2 | 1% | 0.005 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -89.5 | -35.5 | -177.9 | 178.9 | 122.1 | 0 | 0 | 0 | 114 | W144 V159 T160 S164 I165 V166 L215 W245 W249 | W144-L162 HydrophobicContact CH2-CD2 3.11Å; W144-L162 HydrophobicContact CH2-CG 4.49Å; W144-L162 HydrophobicContact CZ2-CD2 3.71Å; W144-L162 HydrophobicContact CZ3-CD2 3.71Å; V159-L162 PolarHBondContact O-N 3.2Å; V159-L162 VanDerWaalsContact O-N 3.15Å; T160-L162 VanDerWaalsContact C-N 3.3Å; T160-L162 PolarHBondContact O-N 3.01Å; L162-S164 PolarHBondContact O-N 3.39Å; L162-S164 VanDerWaalsContact O-N 3.1Å; L162-I165 CarbonylContact O-C 3.3Å; L162-I165 WeakPolarHBondContact O-CA 3.42Å; L162-I165 PolarHBondContact O-N 3.48Å; L162-V166 HydrophobicContact CD1-CG2 3.99Å; L162-V166 HydrophobicContact CD2-CB 4.33Å; L162-V166 HydrophobicContact CD2-CG2 3.77Å; L162-V166 HydrophobicContact CG-CB 4.3Å; L162-V166 HydrophobicContact CG-CG2 3.56Å; L162-V166 VanDerWaalsContact O-CB 3.31Å; L162-V166 WeakPolarHBondContact O-CB 3.27Å; L162-V166 PolarHBondContact O-N 2.93Å; L162-L215 HydrophobicContact CD1-CB 4.32Å; L162-L215 HydrophobicContact CD1-CD1 3.51Å; L162-L215 HydrophobicContact CD1-CD2 3.11Å; L162-L215 HydrophobicContact CD1-CG 3.74Å; L162-W245 HydrophobicContact CB-CH2 3.02Å; L162-W245 HydrophobicContact CB-CZ2 3.49Å; L162-W245 VanDerWaalsContact CB-CZ2 3.49Å; L162-W245 HydrophobicContact CB-CZ3 4.01Å; L162-W245 HydrophobicContact CD1-CH2 3.67Å; L162-W245 HydrophobicContact CD1-CZ2 4.26Å; L162-W245 HydrophobicContact CD1-CZ3 3.92Å; L162-W245 HydrophobicContact CD2-CH2 3.73Å; L162-W245 HydrophobicContact CD2-CZ2 3.48Å; L162-W245 VanDerWaalsContact CD2-CZ2 3.48Å; L162-W245 HydrophobicContact CG-CH2 3.64Å; L162-W245 HydrophobicContact CG-CZ2 3.92Å; L162-W245 HydrophobicContact CG-CZ3 4.39Å; L162-W249 HydrophobicContact CD1-CD2 4.45Å; L162-W249 HydrophobicContact CD1-CG 4.39Å; L162-W249 HydrophobicContact CD2-CD2 3.95Å; L162-W249 HydrophobicContact CD2-CE3 3.93Å; L162-W249 HydrophobicContact CD2-CH2 4.47Å; L162-W249 HydrophobicContact CD2-CZ3 4.18Å |
| 163 | A | 51.6 | Low | 50.5 | Low | 27 Ų | 27 | 62.8 Ų | 62.8 | 22% | 0.223 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -52.1 | -35.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | V159 I165 S167 | V159-A163 PolarHBondContact O-N 2.96Å; V159-A163 VanDerWaalsContact O-N 3.1Å; A163-I165 PolarHBondContact O-N 3.03Å; A163-S167 WeakPolarHBondContact O-CB 3.04Å; A163-S167 PolarHBondContact O-N 3.15Å; A163-S167 PolarHBondContact O-OG 3.28Å |
| 164 | S | 53 | Low | 49.3 | Very low | 50 Ų | 50 | 57.2 Ų | 57.2 | 35% | 0.35 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.9 | -34.9 | 172.8 | 96.6 | 0 | 0 | 0 | 0 | 114.9 | K124 T160 D161 L162 S168 | K124-S164 WeakPolarHBondContact CE-O 3.31Å; K124-S164 PolarHBondContact NZ-O 3.46Å; T160-S164 PolarHBondContact O-N 2.87Å; D161-S164 WeakPolarHBondContact O-CB 3.49Å; D161-S164 PolarHBondContact O-OG 3.23Å; L162-S164 PolarHBondContact O-N 3.39Å; L162-S164 VanDerWaalsContact O-N 3.1Å; S164-S168 PolarHBondContact O-OG 3.45Å |
| 165 | I | 51.8 | Low | 47.9 | Very low | 40 Ų | 40 | 60.6 Ų | 60.6 | 21% | 0.205 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -83.9 | -30.5 | -179.6 | -65.5 | 164 | 0 | 0 | 0 | 112 | D161 L162 A163 S168 L215 | D161-I165 WeakPolarHBondContact O-CD1 3.41Å; D161-I165 VanDerWaalsContact O-CG1 3.31Å; D161-I165 WeakPolarHBondContact O-CG1 3.37Å; D161-I165 PolarHBondContact O-N 3.43Å; L162-I165 CarbonylContact O-C 3.3Å; L162-I165 WeakPolarHBondContact O-CA 3.42Å; L162-I165 PolarHBondContact O-N 3.48Å; A163-I165 PolarHBondContact O-N 3.03Å; I165-S168 VanDerWaalsContact CA-OG 3.32Å; I165-S168 WeakPolarHBondContact CA-OG 3.44Å; I165-S168 PolarHBondContact O-OG 3.45Å; I165-L215 HydrophobicContact CD1-CD1 4.16Å |
| 166 | V | 50 | Low | 46.5 | Very low | 16 Ų | 16 | 63.6 Ų | 63.6 | 10% | 0.097 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -98.7 | -40.8 | -172.1 | 162.3 | 0 | 0 | 0 | 0 | 112.1 | L138 L162 S168 S169 W249 | L138-V166 HydrophobicContact CD1-CG1 3.97Å; L138-V166 WeakPolarHBondContact CD1-O 3.48Å; L138-V166 HydrophobicContact CD2-CG1 3.88Å; L138-V166 HydrophobicContact CG-CG1 4.46Å; L162-V166 HydrophobicContact CD1-CG2 3.99Å; L162-V166 HydrophobicContact CD2-CB 4.33Å; L162-V166 HydrophobicContact CD2-CG2 3.77Å; L162-V166 HydrophobicContact CG-CB 4.3Å; L162-V166 HydrophobicContact CG-CG2 3.56Å; L162-V166 VanDerWaalsContact O-CB 3.31Å; L162-V166 WeakPolarHBondContact O-CB 3.27Å; L162-V166 PolarHBondContact O-N 2.93Å; V166-S168 PolarHBondContact O-N 3.37Å; V166-S169 PolarHBondContact O-N 3.21Å; V166-S169 PolarHBondContact O-OG 3.4Å; V166-S169 VanDerWaalsContact O-OG 3.11Å; V166-W249 HydrophobicContact CB-CH2 4.08Å; V166-W249 HydrophobicContact CB-CZ2 4.02Å; V166-W249 HydrophobicContact CG1-CH2 3.22Å; V166-W249 HydrophobicContact CG1-CZ2 3.53Å; V166-W249 HydrophobicContact CG1-CZ3 4.24Å; V166-W249 HydrophobicContact CG2-CH2 3.78Å; V166-W249 HydrophobicContact CG2-CZ2 3.25Å |
| 167 | S | 47.7 | Very low | 45.5 | Very low | 65 Ų | 65 | 72.4 Ų | 72.4 | 46% | 0.455 | 43% | 0.426 | S | S | . | . | G | 310 helix | trans | -62 | -9.4 | 166.7 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | A163 | A163-S167 WeakPolarHBondContact O-CB 3.04Å; A163-S167 PolarHBondContact O-N 3.15Å; A163-S167 PolarHBondContact O-OG 3.28Å |
| 168 | S | 45.3 | Very low | 45.7 | Very low | 7 Ų | 7 | 70.2 Ų | 70.2 | 5% | 0.049 | 42% | 0.423 | C | S | . | . | G | 310 helix | trans | -72.9 | -19.4 | 165.1 | 8.8 | 0 | 0 | 0 | 0 | 114.7 | K128 S164 I165 V166 | K128-S168 WeakPolarHBondContact CD-O 3.35Å; K128-S168 WeakPolarHBondContact CE-O 3.47Å; K128-S168 WeakPolarHBondContact CG-O 3.32Å; K128-S168 PolarHBondContact NZ-O 2.82Å; S164-S168 PolarHBondContact O-OG 3.45Å; I165-S168 VanDerWaalsContact CA-OG 3.32Å; I165-S168 WeakPolarHBondContact CA-OG 3.44Å; I165-S168 PolarHBondContact O-OG 3.45Å; V166-S168 PolarHBondContact O-N 3.37Å |
| 169 | S | 44.7 | Very low | 45.9 | Very low | 14 Ų | 14 | 68.7 Ų | 68.7 | 10% | 0.098 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -101.8 | 37.1 | 177.9 | 36.5 | 0 | 0 | 0 | 0 | 113.1 | L138 V166 T171 | L138-S169 VanDerWaalsContact CD1-O 3.27Å; L138-S169 WeakPolarHBondContact CD1-O 3.16Å; L138-S169 WeakPolarHBondContact CD1-OG 3.43Å; L138-S169 WeakPolarHBondContact CD2-OG 3.5Å; L138-S169 WeakPolarHBondContact CG-OG 3.03Å; V166-S169 PolarHBondContact O-N 3.21Å; V166-S169 PolarHBondContact O-OG 3.4Å; V166-S169 VanDerWaalsContact O-OG 3.11Å; S169-T171 PolarHBondContact O-N 2.7Å; S169-T171 PolarHBondContact O-OG1 2.69Å |
| 170 | D | 43.2 | Very low | 46.8 | Very low | 57 Ų | 57 | 70.5 Ų | 70.5 | 31% | 0.305 | 43% | 0.429 | S | S | . | . | trans | -53 | 82.2 | 161.5 | -73 | -35.7 | 0 | 0 | 0 | 110.2 | K128 H173 | K128-D170 IonicContact NZ-OD2 3.48Å; D170-H173 IonicContact OD1-CE1 2.72Å; D170-H173 IonicContact OD1-NE2 3.44Å; D170-H173 IonicContact OD2-CE1 2.83Å; D170-H173 IonicContact OD2-NE2 2.78Å; D170-H173 PolarHBondContact OD2-NE2 2.68Å | ||
| 171 | T | 44.4 | Very low | 48.3 | Very low | 25 Ų | 25 | 68.2 Ų | 68.2 | 15% | 0.153 | 41% | 0.413 | C | S | . | . | trans | -95.8 | -5.5 | 166.1 | 49.3 | 0 | 0 | 0 | 0 | 110.8 | A132 S169 | A132-T171 HydrophobicContact CB-CG2 3.82Å; S169-T171 PolarHBondContact O-N 2.7Å; S169-T171 PolarHBondContact O-OG1 2.69Å | ||
| 172 | T | 38.3 | Very low | 50.1 | Low | 106 Ų | 106 | 65 Ų | 65 | 65% | 0.65 | 39% | 0.393 | S | S | * | . | trans | -145.1 | 64.9 | -177 | 51.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 173 | H | 34.2 | Very low | 52 | Low | 129 Ų | 129 | 65 Ų | 65 | 60% | 0.597 | 39% | 0.393 | S | S | * | . | trans | -66.9 | 134.3 | 145.6 | -72.5 | -42.7 | 0 | 0 | 0 | 106.8 | D170 N175 | D170-H173 IonicContact OD1-CE1 2.72Å; D170-H173 IonicContact OD1-NE2 3.44Å; D170-H173 IonicContact OD2-CE1 2.83Å; D170-H173 IonicContact OD2-NE2 2.78Å; D170-H173 PolarHBondContact OD2-NE2 2.68Å; H173-N175 PolarHBondContact O-N 3.43Å | ||
| 174 | G | 35.6 | Very low | 53.8 | Low | 85 Ų | 85 | 69.6 Ų | 69.6 | 88% | 0.876 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -57.1 | 14.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 175 | N | 32.1 | Very low | 55.7 | Low | 135 Ų | 135 | 73.5 Ų | 73.5 | 72% | 0.722 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -108.9 | 54.9 | 173 | -74.3 | 8.7 | 0 | 0 | 0 | 111.2 | H173 Y177 | H173-N175 PolarHBondContact O-N 3.43Å; N175-Y177 WeakPolarHBondContact O-CD2 3.46Å; N175-Y177 PolarHBondContact O-N 2.88Å |
| 176 | G | 36 | Very low | 57.7 | Low | 77 Ų | 77 | 76.8 Ų | 76.8 | 79% | 0.794 | 44% | 0.436 | S | S | * | . | S | Bend | trans | 57.6 | -3.6 | 152 | 0 | 0 | 0 | 0 | 0 | 121 | ||
| 177 | Y | 39.2 | Very low | 59.8 | Low | 217 Ų | 217 | 78.1 Ų | 78.1 | 85% | 0.851 | 44% | 0.442 | S | S | * | . | trans | -102.8 | 88.1 | 179.4 | -67.1 | -73.3 | 0 | 0 | 0 | 110 | N175 V179 | N175-Y177 WeakPolarHBondContact O-CD2 3.46Å; N175-Y177 PolarHBondContact O-N 2.88Å; Y177-V179 PolarHBondContact O-N 2.98Å | ||
| 178 | T | 53.7 | Low | 62 | Low | 106 Ų | 106 | 79.5 Ų | 79.5 | 65% | 0.65 | 44% | 0.441 | S | S | * | . | P | Polyproline II helix | trans | -70.1 | 120.8 | 165.7 | 52.2 | 0 | 0 | 0 | 0 | 108.3 | P180 | T178-P180 WeakPolarHBondContact O-CD 3.44Å; T178-P180 VanDerWaalsContact O-N 3.11Å |
| 179 | V | 59.2 | Low | 64.5 | Low | 56 Ų | 56 | 83 Ų | 83 | 34% | 0.339 | 46% | 0.457 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 120.2 | 166.6 | 177.2 | 0 | 0 | 0 | 0 | 106.9 | A132 Y177 N181 | A132-V179 HydrophobicContact CB-CB 4.43Å; A132-V179 HydrophobicContact CB-CG1 4.27Å; Y177-V179 PolarHBondContact O-N 2.98Å; V179-N181 PolarHBondContact O-N 2.9Å |
| 180 | P | 69.6 | Low | 66.9 | Low | 68 Ų | 68 | 82.3 Ų | 82.3 | 44% | 0.442 | 45% | 0.452 | S | S | . | . | P | Polyproline II helix | trans | -61.7 | 137.9 | -177.6 | 23.1 | -31.5 | 0 | 0 | 0 | 109.4 | T178 R182 | T178-P180 WeakPolarHBondContact O-CD 3.44Å; T178-P180 VanDerWaalsContact O-N 3.11Å; P180-R182 VanDerWaalsContact O-CG 3.29Å; P180-R182 WeakPolarHBondContact O-CG 3.4Å; P180-R182 PolarHBondContact O-N 3.31Å |
| 181 | N | 81.5 | Confident | 69.4 | Low | 52 Ų | 52 | 83.6 Ų | 83.6 | 28% | 0.278 | 45% | 0.453 | S | S | . | . | trans | -61.7 | 112 | 175.8 | -176.2 | -27.8 | 0 | 0 | 0 | 108.8 | S133 V179 F183 L184 | S133-N181 WeakPolarHBondContact CB-OD1 3.39Å; S133-N181 VanDerWaalsContact O-CG 3.31Å; S133-N181 PolarHBondContact O-ND2 2.85Å; S133-N181 PolarHBondContact O-OD1 3.34Å; V179-N181 PolarHBondContact O-N 2.9Å; N181-F183 VanDerWaalsContact C-N 3.26Å; N181-F183 PolarHBondContact O-N 3.48Å; N181-F183 PolarHBondContact OD1-N 3.17Å; N181-L184 PolarHBondContact O-N 3.14Å; N181-L184 PolarHBondContact OD1-N 3.45Å | ||
| 182 | R | 89.7 | Confident | 72 | Confident | 32 Ų | 32 | 87.4 Ų | 87.4 | 12% | 0.121 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -9.5 | -173.2 | -52.5 | -167 | -179.9 | -123.5 | 6.2 | 113.4 | W93 K94 Q96 N97 W99 S133 P180 | W93-R182 PolarHBondContact O-NH1 3.4Å; K94-R182 PolarHBondContact O-NH1 3.01Å; K94-R182 PolarHBondContact O-NH2 3.41Å; Q96-R182 PolarHBondContact O-NH1 3.44Å; N97-R182 CarbonylContact O-C 3.41Å; N97-R182 VanDerWaalsContact O-CA 3.27Å; N97-R182 WeakPolarHBondContact O-CA 3.18Å; W99-R182 HydrophobicContact CB-CB 3.81Å; W99-R182 VanDerWaalsContact CD1-CD 3.46Å; W99-R182 HydrophobicContact CD2-CB 4.17Å; W99-R182 HydrophobicContact CG-CB 3.6Å; W99-R182 HydrophobicContact CG-CG 4.36Å; W99-R182 PolarHBondContact N-O 2.97Å; S133-R182 PolarHBondContact OG-N 2.86Å; P180-R182 VanDerWaalsContact O-CG 3.29Å; P180-R182 WeakPolarHBondContact O-CG 3.4Å; P180-R182 PolarHBondContact O-N 3.31Å |
| 183 | F | 91.6 | Very high | 74.8 | Confident | 1 Ų | 1 | 84 Ų | 84 | 0% | 0.004 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 13.5 | 176.9 | -59.2 | -56.7 | 0 | 0 | 0 | 112.5 | W99 P100 F103 A104 I130 F134 N181 E185 R186 I187 V190 | W99-F183 HydrophobicContact CB-CD1 3.89Å; W99-F183 HydrophobicContact CB-CE1 3.5Å; W99-F183 HydrophobicContact CB-CZ 4.23Å; W99-F183 HydrophobicContact CE3-CZ 4.33Å; W99-F183 WeakPolarHBondContact O-CD1 3.24Å; P100-F183 WeakPolarHBondContact O-CE1 3.28Å; F103-F183 HydrophobicContact CB-CE1 4.38Å; F103-F183 HydrophobicContact CB-CZ 4.21Å; A104-F183 HydrophobicContact CB-CE1 4.41Å; A104-F183 HydrophobicContact CB-CE2 4Å; A104-F183 HydrophobicContact CB-CZ 3.92Å; I130-F183 HydrophobicContact CB-CE2 4.45Å; I130-F183 HydrophobicContact CG1-CZ 4.28Å; I130-F183 HydrophobicContact CG2-CE2 4.08Å; I130-F183 HydrophobicContact CG2-CZ 4.38Å; F134-F183 HydrophobicContact CE1-CD2 4.49Å; F134-F183 HydrophobicContact CE1-CE2 4.26Å; N181-F183 VanDerWaalsContact C-N 3.26Å; N181-F183 PolarHBondContact O-N 3.48Å; N181-F183 PolarHBondContact OD1-N 3.17Å; F183-E185 VanDerWaalsContact C-N 3.31Å; F183-E185 PolarHBondContact O-N 3.16Å; F183-R186 CarbonylContact O-C 3.51Å; F183-R186 VanDerWaalsContact O-C 3.25Å; F183-R186 WeakPolarHBondContact O-CA 3.38Å; F183-R186 PolarHBondContact O-N 3.34Å; F183-I187 WeakPolarHBondContact O-CA 3.43Å; F183-I187 WeakPolarHBondContact O-CB 3.4Å; F183-I187 PolarHBondContact O-N 3.29Å; F183-V190 HydrophobicContact CB-CG2 4.25Å; F183-V190 HydrophobicContact CD1-CG2 4.37Å; F183-V190 HydrophobicContact CG-CG2 4.18Å |
| 184 | L | 89.7 | Confident | 77.8 | Confident | 124 Ų | 124 | 77.8 Ų | 77.8 | 65% | 0.649 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -51 | -46.5 | -172.1 | -171.9 | 67.3 | 0 | 0 | 0 | 113.5 | N181 R186 I187 | N181-L184 PolarHBondContact O-N 3.14Å; N181-L184 PolarHBondContact OD1-N 3.45Å; L184-R186 VanDerWaalsContact C-N 3.29Å; L184-R186 PolarHBondContact O-N 2.81Å; L184-I187 WeakPolarHBondContact O-CG2 3.37Å |
| 185 | E | 92.6 | Very high | 80.7 | Confident | 132 Ų | 132 | 76.2 Ų | 76.2 | 62% | 0.617 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -73.3 | -19.6 | 178.7 | -61.1 | -161.7 | 152.3 | 0 | 0 | 114.3 | E98 F183 | E98-E185 HydrophobicContact CG-CG 4.33Å; F183-E185 VanDerWaalsContact C-N 3.31Å; F183-E185 PolarHBondContact O-N 3.16Å |
| 186 | R | 94 | Very high | 83.7 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 41% | 0.408 | 38% | 0.383 | S | S | . | . | G | 310 helix | trans | -115.8 | 15.3 | -175.8 | -61.5 | -179.6 | -175.5 | -91.4 | -5 | 112.8 | E101 F183 L184 E188 Q189 V190 | E101-R186 HydrophobicContact CB-CB 4.38Å; E101-R186 IonicContact OE2-NH1 2.66Å; F183-R186 CarbonylContact O-C 3.51Å; F183-R186 VanDerWaalsContact O-C 3.25Å; F183-R186 WeakPolarHBondContact O-CA 3.38Å; F183-R186 PolarHBondContact O-N 3.34Å; L184-R186 VanDerWaalsContact C-N 3.29Å; L184-R186 PolarHBondContact O-N 2.81Å; R186-E188 PolarHBondContact O-N 3.17Å; R186-Q189 PolarHBondContact O-N 2.81Å; R186-Q189 VanDerWaalsContact O-N 3.15Å; R186-Q189 PolarHBondContact O-OE1 3.27Å; R186-V190 WeakPolarHBondContact O-CG2 3.21Å; R186-V190 PolarHBondContact O-N 3.36Å |
| 187 | I | 93 | Very high | 86.6 | Confident | 44 Ų | 44 | 72.3 Ų | 72.3 | 23% | 0.226 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.6 | -32.9 | -168.7 | -169 | 59.9 | 0 | 0 | 0 | 110.7 | F183 L184 V190 R191 F223 | F183-I187 WeakPolarHBondContact O-CA 3.43Å; F183-I187 WeakPolarHBondContact O-CB 3.4Å; F183-I187 PolarHBondContact O-N 3.29Å; L184-I187 WeakPolarHBondContact O-CG2 3.37Å; I187-V190 PolarHBondContact O-N 2.82Å; I187-R191 VanDerWaalsContact O-CB 3.29Å; I187-R191 WeakPolarHBondContact O-CB 2.84Å; I187-R191 PolarHBondContact O-N 3.23Å; I187-F223 HydrophobicContact CD1-CE1 4.1Å; I187-F223 HydrophobicContact CD1-CZ 4.42Å |
| 188 | E | 95.1 | Very high | 89.2 | Confident | 94 Ų | 94 | 62.1 Ų | 62.1 | 44% | 0.439 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66.6 | -41.8 | 176.2 | -71.1 | -53.5 | 136.5 | 0 | 0 | 112.4 | R186 V190 R191 L192 | R186-E188 PolarHBondContact O-N 3.17Å; E188-V190 VanDerWaalsContact C-N 3.32Å; E188-V190 PolarHBondContact O-N 3.24Å; E188-R191 PolarHBondContact O-N 3.4Å; E188-R191 IonicContact OE1-NE 3.5Å; E188-R191 IonicContact OE2-CZ 3.81Å; E188-R191 IonicContact OE2-NE 2.78Å; E188-R191 PolarHBondContact OE2-NE 3.2Å; E188-R191 IonicContact OE2-NH2 3.91Å; E188-R191 PolarHBondContact OE2-NH2 3.04Å; E188-L192 WeakPolarHBondContact O-CB 2.87Å; E188-L192 VanDerWaalsContact O-CG 3.27Å; E188-L192 WeakPolarHBondContact O-CG 2.96Å; E188-L192 PolarHBondContact O-N 2.63Å |
| 189 | Q | 96.6 | Very high | 91.1 | Very high | 80 Ų | 80 | 62.2 Ų | 62.2 | 37% | 0.374 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 176.1 | -64.2 | 85.2 | -19.9 | 0 | 0 | 111.1 | E101 R186 Y193 | E101-Q189 WeakPolarHBondContact OE2-CB 3.41Å; E101-Q189 VanDerWaalsContact OE2-CG 3.3Å; E101-Q189 WeakPolarHBondContact OE2-CG 3.47Å; R186-Q189 PolarHBondContact O-N 2.81Å; R186-Q189 VanDerWaalsContact O-N 3.15Å; R186-Q189 PolarHBondContact O-OE1 3.27Å; Q189-Y193 WeakPolarHBondContact O-CB 3.33Å; Q189-Y193 PolarHBondContact O-N 3.14Å; Q189-Y193 VanDerWaalsContact O-N 3.13Å |
| 190 | V | 96.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.006 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.1 | -46.5 | 173.1 | 176.8 | 0 | 0 | 0 | 0 | 110.5 | E101 A104 F134 F183 R186 I187 E188 L192 Y193 V194 F223 | E101-V190 HydrophobicContact CB-CG2 4Å; A104-V190 HydrophobicContact CB-CG1 3.85Å; A104-V190 HydrophobicContact CB-CG2 3.96Å; F134-V190 HydrophobicContact CE1-CG1 4.09Å; F183-V190 HydrophobicContact CB-CG2 4.25Å; F183-V190 HydrophobicContact CD1-CG2 4.37Å; F183-V190 HydrophobicContact CG-CG2 4.18Å; R186-V190 WeakPolarHBondContact O-CG2 3.21Å; R186-V190 PolarHBondContact O-N 3.36Å; I187-V190 PolarHBondContact O-N 2.82Å; E188-V190 VanDerWaalsContact C-N 3.32Å; E188-V190 PolarHBondContact O-N 3.24Å; V190-L192 PolarHBondContact O-N 2.91Å; V190-Y193 PolarHBondContact O-N 2.86Å; V190-V194 HydrophobicContact CG1-CG2 4.22Å; V190-V194 WeakPolarHBondContact O-CB 3.31Å; V190-V194 VanDerWaalsContact O-CG2 3.23Å; V190-V194 WeakPolarHBondContact O-CG2 3.21Å; V190-V194 PolarHBondContact O-N 3.45Å; V190-F223 HydrophobicContact CG1-CE1 4.43Å; V190-F223 HydrophobicContact CG1-CZ 3.89Å |
| 191 | R | 95.8 | Very high | 93.7 | Very high | 84 Ų | 84 | 60.9 Ų | 60.9 | 32% | 0.317 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 179.1 | -176.7 | -178.5 | 70.8 | 101.7 | -2.4 | 112.2 | I187 E188 Y193 V194 T195 F223 E225 | I187-R191 VanDerWaalsContact O-CB 3.29Å; I187-R191 WeakPolarHBondContact O-CB 2.84Å; I187-R191 PolarHBondContact O-N 3.23Å; E188-R191 PolarHBondContact O-N 3.4Å; E188-R191 IonicContact OE1-NE 3.5Å; E188-R191 IonicContact OE2-CZ 3.81Å; E188-R191 IonicContact OE2-NE 2.78Å; E188-R191 PolarHBondContact OE2-NE 3.2Å; E188-R191 IonicContact OE2-NH2 3.91Å; E188-R191 PolarHBondContact OE2-NH2 3.04Å; R191-Y193 VanDerWaalsContact C-N 3.33Å; R191-Y193 PolarHBondContact O-N 2.93Å; R191-V194 PolarHBondContact O-N 3.21Å; R191-T195 WeakPolarHBondContact O-CB 3.4Å; R191-T195 PolarHBondContact O-N 3.46Å; R191-T195 PolarHBondContact O-OG1 3.47Å; R191-F223 HydrophobicContact CB-CD1 4.18Å; R191-F223 HydrophobicContact CB-CE1 4.2Å; R191-F223 HydrophobicContact CG-CD1 4.12Å; R191-E225 IonicContact CZ-OE1 2.61Å; R191-E225 IonicContact NE-OE1 3.7Å; R191-E225 IonicContact NH1-OE1 2.67Å; R191-E225 PolarHBondContact NH1-OE1 3Å |
| 192 | L | 97.6 | Very high | 94 | Very high | 105 Ų | 105 | 59.6 Ų | 59.6 | 55% | 0.55 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.2 | -45 | 176.4 | -72.3 | 173.9 | 0 | 0 | 0 | 110.9 | E188 V190 T195 E196 | E188-L192 WeakPolarHBondContact O-CB 2.87Å; E188-L192 VanDerWaalsContact O-CG 3.27Å; E188-L192 WeakPolarHBondContact O-CG 2.96Å; E188-L192 PolarHBondContact O-N 2.63Å; V190-L192 PolarHBondContact O-N 2.91Å; L192-T195 PolarHBondContact O-N 3.07Å; L192-E196 WeakPolarHBondContact O-CB 3.41Å; L192-E196 PolarHBondContact O-N 3.29Å |
| 193 | Y | 97.7 | Very high | 93.9 | Very high | 33 Ų | 33 | 64.3 Ų | 64.3 | 13% | 0.129 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 177.5 | -167.3 | -100.5 | 0 | 0 | 0 | 112.9 | R66 K105 L108 D109 Q189 V190 R191 T195 E196 I197 | R66-Y193 PolarHBondContact NH2-OH 3.38Å; R66-Y193 VanDerWaalsContact NH2-OH 3.11Å; K105-Y193 HydrophobicContact CB-CD1 4.04Å; K105-Y193 HydrophobicContact CB-CE1 3.72Å; K105-Y193 HydrophobicContact CB-CE2 4.43Å; K105-Y193 HydrophobicContact CB-CG 4.5Å; K105-Y193 HydrophobicContact CD-CD1 4.48Å; K105-Y193 HydrophobicContact CD-CD2 3.91Å; K105-Y193 HydrophobicContact CD-CE2 4.07Å; K105-Y193 HydrophobicContact CD-CG 4.1Å; K105-Y193 HydrophobicContact CG-CD1 3.6Å; K105-Y193 HydrophobicContact CG-CD2 3.93Å; K105-Y193 HydrophobicContact CG-CE1 3.79Å; K105-Y193 HydrophobicContact CG-CE2 4.09Å; K105-Y193 HydrophobicContact CG-CG 3.65Å; L108-Y193 HydrophobicContact CB-CE1 4.26Å; L108-Y193 HydrophobicContact CD1-CD1 3.86Å; L108-Y193 HydrophobicContact CD1-CE1 4.34Å; D109-Y193 PolarHBondContact OD1-OH 2.93Å; D109-Y193 PolarHBondContact OD2-OH 3.44Å; Q189-Y193 WeakPolarHBondContact O-CB 3.33Å; Q189-Y193 PolarHBondContact O-N 3.14Å; Q189-Y193 VanDerWaalsContact O-N 3.13Å; V190-Y193 PolarHBondContact O-N 2.86Å; R191-Y193 VanDerWaalsContact C-N 3.33Å; R191-Y193 PolarHBondContact O-N 2.93Å; Y193-T195 VanDerWaalsContact C-N 3.27Å; Y193-T195 PolarHBondContact O-N 3.21Å; Y193-E196 PolarHBondContact O-N 3.06Å; Y193-I197 HydrophobicContact CD1-CG2 4.45Å; Y193-I197 HydrophobicContact CE1-CB 4.38Å; Y193-I197 HydrophobicContact CE1-CD1 3.94Å; Y193-I197 HydrophobicContact CE1-CG2 4.49Å; Y193-I197 WeakPolarHBondContact O-CB 3.5Å; Y193-I197 VanDerWaalsContact O-CG2 3.3Å; Y193-I197 WeakPolarHBondContact O-CG2 3.43Å; Y193-I197 PolarHBondContact O-N 3.23Å |
| 194 | V | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 72.1 Ų | 72.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.3 | -47.5 | 174.5 | 166.8 | 0 | 0 | 0 | 0 | 109.6 | L108 V190 R191 I197 F198 F223 V226 | L108-V194 HydrophobicContact CD1-CG2 3.52Å; V190-V194 HydrophobicContact CG1-CG2 4.22Å; V190-V194 WeakPolarHBondContact O-CB 3.31Å; V190-V194 VanDerWaalsContact O-CG2 3.23Å; V190-V194 WeakPolarHBondContact O-CG2 3.21Å; V190-V194 PolarHBondContact O-N 3.45Å; R191-V194 PolarHBondContact O-N 3.21Å; V194-I197 WeakPolarHBondContact O-CG2 3.47Å; V194-F198 HydrophobicContact CG1-CD2 3.73Å; V194-F198 HydrophobicContact CG1-CE2 3.97Å; V194-F198 WeakPolarHBondContact O-CB 3.17Å; V194-F198 VanDerWaalsContact O-CD2 3.24Å; V194-F198 WeakPolarHBondContact O-CD2 3.25Å; V194-F198 PolarHBondContact O-N 3.03Å; V194-F223 HydrophobicContact CG1-CB 4.25Å; V194-F223 HydrophobicContact CG1-CD2 3.9Å; V194-F223 HydrophobicContact CG1-CE2 4.47Å; V194-F223 HydrophobicContact CG1-CG 4.05Å; V194-F223 HydrophobicContact CG2-CD2 4.15Å; V194-F223 HydrophobicContact CG2-CE2 3.9Å; V194-F223 HydrophobicContact CG2-CZ 4.16Å; V194-V226 HydrophobicContact CG1-CG2 3.46Å; V194-V226 VanDerWaalsContact CG1-CG2 3.46Å |
| 195 | T | 96.1 | Very high | 92.9 | Very high | 51 Ų | 51 | 72.5 Ų | 72.5 | 31% | 0.313 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | -179.6 | -58.3 | 0 | 0 | 0 | 0 | 111.5 | R191 L192 Y193 H199 E225 | R191-T195 WeakPolarHBondContact O-CB 3.4Å; R191-T195 PolarHBondContact O-N 3.46Å; R191-T195 PolarHBondContact O-OG1 3.47Å; L192-T195 PolarHBondContact O-N 3.07Å; Y193-T195 VanDerWaalsContact C-N 3.27Å; Y193-T195 PolarHBondContact O-N 3.21Å; T195-H199 WeakPolarHBondContact O-CB 3.22Å; T195-H199 PolarHBondContact O-N 3.24Å; T195-E225 HydrophobicContact CG2-CB 4.37Å; T195-E225 HydrophobicContact CG2-CG 4.27Å |
| 196 | E | 96.5 | Very high | 91.4 | Very high | 113 Ų | 113 | 70.6 Ų | 70.6 | 53% | 0.528 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -62.2 | -54.9 | 179.3 | -176.7 | 178.1 | -167.6 | 0 | 0 | 111.7 | L192 Y193 F198 H199 E200 | L192-E196 WeakPolarHBondContact O-CB 3.41Å; L192-E196 PolarHBondContact O-N 3.29Å; Y193-E196 PolarHBondContact O-N 3.06Å; E196-F198 VanDerWaalsContact C-N 3.33Å; E196-F198 PolarHBondContact O-N 2.84Å; E196-H199 WeakPolarHBondContact O-CB 3.4Å; E196-H199 PolarHBondContact O-N 3.34Å; E196-H199 VanDerWaalsContact O-N 3.15Å; E196-E200 WeakPolarHBondContact O-CG 3.2Å; E196-E200 PolarHBondContact O-N 3.18Å |
| 197 | I | 95.3 | Very high | 90.1 | Very high | 17 Ų | 17 | 72.6 Ų | 72.6 | 9% | 0.087 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.6 | -38.3 | -174.8 | -161.1 | 171.7 | 0 | 0 | 0 | 111.8 | L108 D109 L112 Y193 V194 W201 | L108-I197 HydrophobicContact CB-CD1 4.11Å; L108-I197 HydrophobicContact CB-CG2 4.44Å; L108-I197 HydrophobicContact CD1-CG2 4.49Å; D109-I197 WeakPolarHBondContact OD1-CD1 3.47Å; L112-I197 HydrophobicContact CD1-CD1 4.06Å; L112-I197 HydrophobicContact CD1-CG1 3.95Å; L112-I197 HydrophobicContact CD1-CG2 3.92Å; Y193-I197 HydrophobicContact CD1-CG2 4.45Å; Y193-I197 HydrophobicContact CE1-CB 4.38Å; Y193-I197 HydrophobicContact CE1-CD1 3.94Å; Y193-I197 HydrophobicContact CE1-CG2 4.49Å; Y193-I197 WeakPolarHBondContact O-CB 3.5Å; Y193-I197 VanDerWaalsContact O-CG2 3.3Å; Y193-I197 WeakPolarHBondContact O-CG2 3.43Å; Y193-I197 PolarHBondContact O-N 3.23Å; V194-I197 WeakPolarHBondContact O-CG2 3.47Å; I197-W201 VanDerWaalsContact O-CB 3.23Å; I197-W201 WeakPolarHBondContact O-CB 3.32Å; I197-W201 PolarHBondContact O-N 3.31Å |
| 198 | F | 94.8 | Very high | 89.4 | Confident | 4 Ų | 4 | 74.3 Ų | 74.3 | 2% | 0.018 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -69 | -43.4 | 174.9 | -86.9 | -66.1 | 0 | 0 | 0 | 111.2 | L108 L112 V194 E196 E200 W201 W202 T216 I217 C220 V226 | L108-F198 HydrophobicContact CD2-CE2 4.4Å; L112-F198 HydrophobicContact CD1-CD1 4.29Å; L112-F198 HydrophobicContact CD1-CE1 4.11Å; L112-F198 HydrophobicContact CD1-CZ 4.31Å; L112-F198 HydrophobicContact CD2-CE1 3.79Å; L112-F198 HydrophobicContact CD2-CZ 4.22Å; V194-F198 HydrophobicContact CG1-CD2 3.73Å; V194-F198 HydrophobicContact CG1-CE2 3.97Å; V194-F198 WeakPolarHBondContact O-CB 3.17Å; V194-F198 VanDerWaalsContact O-CD2 3.24Å; V194-F198 WeakPolarHBondContact O-CD2 3.25Å; V194-F198 PolarHBondContact O-N 3.03Å; E196-F198 VanDerWaalsContact C-N 3.33Å; E196-F198 PolarHBondContact O-N 2.84Å; F198-E200 VanDerWaalsContact C-N 3.32Å; F198-E200 PolarHBondContact O-N 2.92Å; F198-W201 PolarHBondContact O-N 3.3Å; F198-W201 VanDerWaalsContact O-N 3.11Å; F198-W202 VanDerWaalsContact C-CD1 3.4Å; F198-W202 HydrophobicContact CB-CZ2 4.44Å; F198-W202 AromaticContact CD1-CE2 3.87Å; F198-W202 HydrophobicContact CD1-CH2 4.2Å; F198-W202 AromaticContact CD1-CZ2 3.5Å; F198-W202 HydrophobicContact CD1-CZ2 3.5Å; F198-W202 VanDerWaalsContact CD1-CZ2 3.5Å; F198-W202 HydrophobicContact CE1-CH2 4.48Å; F198-W202 HydrophobicContact CE1-CZ2 4.1Å; F198-W202 HydrophobicContact CG-CZ2 4.26Å; F198-W202 PolarHBondContact O-N 2.82Å; F198-W202 PolarHBondContact O-NE1 3.29Å; F198-T216 HydrophobicContact CZ-CG2 4.38Å; F198-I217 HydrophobicContact CE1-CB 4.46Å; F198-I217 HydrophobicContact CE1-CG1 3.65Å; F198-I217 HydrophobicContact CZ-CG1 4.3Å; F198-C220 HydrophobicContact CE2-CB 3.81Å; F198-C220 HydrophobicContact CZ-CB 4.08Å; F198-V226 HydrophobicContact CD2-CG2 3.68Å; F198-V226 HydrophobicContact CE2-CG1 4.43Å; F198-V226 HydrophobicContact CE2-CG2 3.84Å; F198-V226 HydrophobicContact CG-CG2 4.42Å |
| 199 | H | 93.2 | Very high | 89 | Confident | 107 Ų | 107 | 71.3 Ų | 71.3 | 50% | 0.495 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -54.4 | -50.1 | 175.8 | -178.9 | 80.5 | 0 | 0 | 0 | 111.5 | T195 E196 W201 W202 M203 | T195-H199 WeakPolarHBondContact O-CB 3.22Å; T195-H199 PolarHBondContact O-N 3.24Å; E196-H199 WeakPolarHBondContact O-CB 3.4Å; E196-H199 PolarHBondContact O-N 3.34Å; E196-H199 VanDerWaalsContact O-N 3.15Å; H199-W201 VanDerWaalsContact C-N 3.35Å; H199-W201 PolarHBondContact O-N 3.06Å; H199-W202 PolarHBondContact O-N 3.15Å; H199-M203 WeakPolarHBondContact O-CG 3.33Å; H199-M203 PolarHBondContact O-N 3.45Å; H199-M203 VanDerWaalsContact O-N 3.15Å |
| 200 | E | 91.9 | Very high | 88.5 | Confident | 81 Ų | 81 | 70.2 Ų | 70.2 | 38% | 0.379 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 175.4 | -66.6 | -169.7 | 146.3 | 0 | 0 | 112.3 | E196 F198 W202 M203 R204 | E196-E200 WeakPolarHBondContact O-CG 3.2Å; E196-E200 PolarHBondContact O-N 3.18Å; F198-E200 VanDerWaalsContact C-N 3.32Å; F198-E200 PolarHBondContact O-N 2.92Å; E200-W202 VanDerWaalsContact C-N 3.34Å; E200-W202 PolarHBondContact O-N 2.95Å; E200-M203 PolarHBondContact O-N 2.93Å; E200-R204 VanDerWaalsContact CD-NH2 3.31Å; E200-R204 WeakPolarHBondContact O-CG 3.45Å; E200-R204 PolarHBondContact O-N 2.86Å; E200-R204 IonicContact OE1-NH2 3.77Å; E200-R204 IonicContact OE2-CZ 3.76Å; E200-R204 IonicContact OE2-NH2 3.17Å; E200-R204 PolarHBondContact OE2-NH2 3.17Å |
| 201 | W | 90.8 | Very high | 88 | Confident | 15 Ų | 15 | 71.8 Ų | 71.8 | 6% | 0.057 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -61.8 | -41.9 | 179.8 | -167.1 | 96.8 | 0 | 0 | 0 | 111.8 | L112 I197 F198 H199 M203 R204 R205 I209 V213 | L112-W201 PolarHBondContact O-NE1 3.02Å; I197-W201 VanDerWaalsContact O-CB 3.23Å; I197-W201 WeakPolarHBondContact O-CB 3.32Å; I197-W201 PolarHBondContact O-N 3.31Å; F198-W201 PolarHBondContact O-N 3.3Å; F198-W201 VanDerWaalsContact O-N 3.11Å; H199-W201 VanDerWaalsContact C-N 3.35Å; H199-W201 PolarHBondContact O-N 3.06Å; W201-M203 PolarHBondContact O-N 3.42Å; W201-R204 PolarHBondContact O-N 3.49Å; W201-R205 HydrophobicContact CH2-CB 4.4Å; W201-R205 HydrophobicContact CH2-CG 4.11Å; W201-R205 HydrophobicContact CZ2-CG 4.01Å; W201-R205 HydrophobicContact CZ3-CB 4.48Å; W201-R205 HydrophobicContact CZ3-CG 4.48Å; W201-I209 HydrophobicContact CH2-CB 4.25Å; W201-I209 HydrophobicContact CH2-CD1 4.17Å; W201-I209 HydrophobicContact CH2-CG1 3.9Å; W201-I209 HydrophobicContact CH2-CG2 3.81Å; W201-I209 HydrophobicContact CZ3-CD1 4.15Å; W201-I209 HydrophobicContact CZ3-CG1 4.33Å; W201-V213 HydrophobicContact CD2-CG1 4.47Å; W201-V213 HydrophobicContact CH2-CB 4.47Å; W201-V213 HydrophobicContact CH2-CG1 3.71Å; W201-V213 HydrophobicContact CZ2-CB 4.13Å; W201-V213 HydrophobicContact CZ2-CG1 3.51Å; W201-V213 HydrophobicContact CZ2-CG2 3.96Å; W201-V213 HydrophobicContact CZ3-CG1 4.25Å |
| 202 | W | 88.3 | Confident | 87.6 | Confident | 25 Ų | 25 | 71.9 Ų | 71.9 | 10% | 0.095 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.2 | -39.2 | 176.6 | -58 | 136.3 | 0 | 0 | 0 | 112.5 | F198 H199 E200 R204 I209 I217 W237 | F198-W202 VanDerWaalsContact C-CD1 3.4Å; F198-W202 HydrophobicContact CB-CZ2 4.44Å; F198-W202 AromaticContact CD1-CE2 3.87Å; F198-W202 HydrophobicContact CD1-CH2 4.2Å; F198-W202 AromaticContact CD1-CZ2 3.5Å; F198-W202 HydrophobicContact CD1-CZ2 3.5Å; F198-W202 VanDerWaalsContact CD1-CZ2 3.5Å; F198-W202 HydrophobicContact CE1-CH2 4.48Å; F198-W202 HydrophobicContact CE1-CZ2 4.1Å; F198-W202 HydrophobicContact CG-CZ2 4.26Å; F198-W202 PolarHBondContact O-N 2.82Å; F198-W202 PolarHBondContact O-NE1 3.29Å; H199-W202 PolarHBondContact O-N 3.15Å; E200-W202 VanDerWaalsContact C-N 3.34Å; E200-W202 PolarHBondContact O-N 2.95Å; W202-R204 VanDerWaalsContact C-N 3.34Å; W202-I209 HydrophobicContact CZ3-CD1 4.43Å; W202-I217 HydrophobicContact CH2-CD1 3.32Å; W202-I217 HydrophobicContact CH2-CG1 3.59Å; W202-I217 HydrophobicContact CH2-CG2 4.25Å; W202-I217 HydrophobicContact CZ2-CD1 4.41Å; W202-I217 HydrophobicContact CZ2-CG1 4.24Å; W202-I217 HydrophobicContact CZ3-CD1 3.84Å; W202-I217 HydrophobicContact CZ3-CG1 4.49Å; W202-W237 AromaticContact CH2-CH2 3.98Å; W202-W237 HydrophobicContact CH2-CH2 3.98Å; W202-W237 AromaticContact CZ3-CH2 3.83Å; W202-W237 HydrophobicContact CZ3-CH2 3.83Å; W202-W237 HydrophobicContact CZ3-CZ2 4.01Å |
| 203 | M | 87.3 | Confident | 87.2 | Confident | 132 Ų | 132 | 67.2 Ų | 67.2 | 65% | 0.65 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -71.9 | -27.6 | -178.1 | -69 | -61.1 | 164.9 | 0 | 0 | 113.1 | H199 E200 W201 | H199-M203 WeakPolarHBondContact O-CG 3.33Å; H199-M203 PolarHBondContact O-N 3.45Å; H199-M203 VanDerWaalsContact O-N 3.15Å; E200-M203 PolarHBondContact O-N 2.93Å; W201-M203 PolarHBondContact O-N 3.42Å |
| 204 | R | 84.7 | Confident | 86.8 | Confident | 164 Ų | 164 | 65.9 Ų | 65.9 | 62% | 0.619 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -82.8 | -15.7 | -177.5 | -66.9 | -179.1 | -153.3 | 123.1 | -5.4 | 114.7 | E200 W201 W202 | E200-R204 VanDerWaalsContact CD-NH2 3.31Å; E200-R204 WeakPolarHBondContact O-CG 3.45Å; E200-R204 PolarHBondContact O-N 2.86Å; E200-R204 IonicContact OE1-NH2 3.77Å; E200-R204 IonicContact OE2-CZ 3.76Å; E200-R204 IonicContact OE2-NH2 3.17Å; E200-R204 PolarHBondContact OE2-NH2 3.17Å; W201-R204 PolarHBondContact O-N 3.49Å; W202-R204 VanDerWaalsContact C-N 3.34Å |
| 205 | R | 75.7 | Confident | 86.4 | Confident | 132 Ų | 132 | 66.4 Ų | 66.4 | 50% | 0.498 | 33% | 0.332 | S | S | . | . | trans | -120.2 | 117.9 | -170.4 | -71.4 | -85.3 | -175.9 | 170.8 | -3.3 | 111.4 | W201 | W201-R205 HydrophobicContact CH2-CB 4.4Å; W201-R205 HydrophobicContact CH2-CG 4.11Å; W201-R205 HydrophobicContact CZ2-CG 4.01Å; W201-R205 HydrophobicContact CZ3-CB 4.48Å; W201-R205 HydrophobicContact CZ3-CG 4.48Å | ||
| 206 | A | 61.6 | Low | 86.2 | Confident | 93 Ų | 93 | 64 Ų | 64 | 77% | 0.769 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -96.3 | -37.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 207 | D | 66.6 | Low | 86.1 | Confident | 150 Ų | 150 | 58.6 Ų | 58.6 | 80% | 0.802 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -119.7 | -31.8 | -157 | -49.8 | -35.4 | 0 | 0 | 0 | 116.2 | ||
| 208 | T | 79.1 | Confident | 85.9 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 49% | 0.491 | 29% | 0.288 | S | S | . | . | trans | -146.2 | 136.9 | -177.3 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 209 | I | 86.1 | Confident | 85.7 | Confident | 30 Ų | 30 | 58.6 Ų | 58.6 | 15% | 0.154 | 30% | 0.295 | C | S | . | . | trans | -111.3 | 122.3 | 178.4 | -56.2 | -171.4 | 0 | 0 | 0 | 108.5 | W201 W202 V213 F214 W237 | W201-I209 HydrophobicContact CH2-CB 4.25Å; W201-I209 HydrophobicContact CH2-CD1 4.17Å; W201-I209 HydrophobicContact CH2-CG1 3.9Å; W201-I209 HydrophobicContact CH2-CG2 3.81Å; W201-I209 HydrophobicContact CZ3-CD1 4.15Å; W201-I209 HydrophobicContact CZ3-CG1 4.33Å; W202-I209 HydrophobicContact CZ3-CD1 4.43Å; I209-V213 HydrophobicContact CG2-CB 3.92Å; I209-V213 HydrophobicContact CG2-CG1 4.04Å; I209-F214 HydrophobicContact CB-CD2 4.18Å; I209-F214 HydrophobicContact CB-CE2 3.48Å; I209-F214 VanDerWaalsContact CB-CE2 3.48Å; I209-F214 HydrophobicContact CB-CZ 3.67Å; I209-F214 HydrophobicContact CD1-CE1 4.24Å; I209-F214 HydrophobicContact CD1-CZ 3.99Å; I209-F214 HydrophobicContact CG1-CZ 4.28Å; I209-F214 HydrophobicContact CG2-CD1 4.41Å; I209-F214 HydrophobicContact CG2-CD2 3.63Å; I209-F214 HydrophobicContact CG2-CE1 4.24Å; I209-F214 HydrophobicContact CG2-CE2 3.46Å; I209-F214 VanDerWaalsContact CG2-CE2 3.46Å; I209-F214 HydrophobicContact CG2-CG 4.13Å; I209-F214 HydrophobicContact CG2-CZ 3.78Å; I209-W237 HydrophobicContact CD1-CD2 4.29Å; I209-W237 HydrophobicContact CD1-CH2 4.15Å; I209-W237 HydrophobicContact CD1-CZ2 3.26Å | ||
| 210 | P | 86.2 | Confident | 85.7 | Confident | 58 Ų | 58 | 53.5 Ų | 53.5 | 38% | 0.377 | 27% | 0.271 | S | S | . | . | trans | -60.9 | 144.4 | 175 | -22.3 | 33 | 0 | 0 | 0 | 111.9 | K212 V213 F214 | P210-K212 PolarHBondContact O-N 3.07Å; P210-K212 VanDerWaalsContact O-N 3.13Å; P210-V213 HydrophobicContact CB-CG2 4.2Å; P210-V213 HydrophobicContact CG-CG2 4.18Å; P210-V213 WeakPolarHBondContact O-CB 3.44Å; P210-V213 PolarHBondContact O-N 2.78Å; P210-F214 PolarHBondContact O-N 3.39Å | ||
| 211 | K | 85.8 | Confident | 85.8 | Confident | 33 Ų | 33 | 49.6 Ų | 49.6 | 14% | 0.143 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -42.3 | -51.9 | 176.7 | -177.7 | -175.7 | 172.7 | -175 | 0 | 112.2 | D158 V213 F214 L215 V243 A246 | D158-K211 PolarHBondContact O-NZ 2.78Å; D158-K211 IonicContact OD1-NZ 3.3Å; D158-K211 WeakPolarHBondContact OD2-CE 3.37Å; D158-K211 IonicContact OD2-NZ 3.97Å; D158-K211 PolarHBondContact OD2-NZ 2.94Å; K211-V213 VanDerWaalsContact C-N 3.26Å; K211-V213 PolarHBondContact O-N 3.37Å; K211-F214 WeakPolarHBondContact O-CB 3.44Å; K211-F214 PolarHBondContact O-N 3.13Å; K211-L215 PolarHBondContact O-N 3.34Å; K211-V243 HydrophobicContact CB-CB 4.31Å; K211-V243 HydrophobicContact CB-CG1 3.81Å; K211-V243 HydrophobicContact CG-CG1 4.39Å; K211-A246 HydrophobicContact CG-CB 4.01Å |
| 212 | K | 86.9 | Confident | 85.8 | Confident | 87 Ų | 87 | 50 Ų | 50 | 38% | 0.378 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.4 | -25 | -174.6 | -64.2 | -171.4 | 170.6 | -169.8 | 0 | 113.8 | R115 D119 P210 L215 T216 | R115-K212 VanDerWaalsContact CD-CB 3.45Å; R115-K212 PolarHBondContact NH2-O 3.35Å; D119-K212 VanDerWaalsContact OD2-CD 3.3Å; D119-K212 WeakPolarHBondContact OD2-CD 3.3Å; D119-K212 WeakPolarHBondContact OD2-CE 3.37Å; D119-K212 IonicContact OD2-NZ 3.13Å; D119-K212 PolarHBondContact OD2-NZ 3.04Å; P210-K212 PolarHBondContact O-N 3.07Å; P210-K212 VanDerWaalsContact O-N 3.13Å; K212-L215 WeakPolarHBondContact O-CB 3.39Å; K212-L215 PolarHBondContact O-N 3.33Å; K212-T216 PolarHBondContact O-N 3.15Å; K212-T216 VanDerWaalsContact O-N 3.11Å; K212-T216 PolarHBondContact O-OG1 3.26Å |
| 213 | V | 89.8 | Confident | 86.1 | Confident | 6 Ų | 6 | 49.4 Ų | 49.4 | 4% | 0.036 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -72.5 | -38.8 | 174.8 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | L112 W201 I209 P210 K211 L215 T216 I217 | L112-V213 HydrophobicContact CD2-CG1 3.98Å; W201-V213 HydrophobicContact CD2-CG1 4.47Å; W201-V213 HydrophobicContact CH2-CB 4.47Å; W201-V213 HydrophobicContact CH2-CG1 3.71Å; W201-V213 HydrophobicContact CZ2-CB 4.13Å; W201-V213 HydrophobicContact CZ2-CG1 3.51Å; W201-V213 HydrophobicContact CZ2-CG2 3.96Å; W201-V213 HydrophobicContact CZ3-CG1 4.25Å; I209-V213 HydrophobicContact CG2-CB 3.92Å; I209-V213 HydrophobicContact CG2-CG1 4.04Å; P210-V213 HydrophobicContact CB-CG2 4.2Å; P210-V213 HydrophobicContact CG-CG2 4.18Å; P210-V213 WeakPolarHBondContact O-CB 3.44Å; P210-V213 PolarHBondContact O-N 2.78Å; K211-V213 VanDerWaalsContact C-N 3.26Å; K211-V213 PolarHBondContact O-N 3.37Å; V213-L215 PolarHBondContact O-N 2.94Å; V213-T216 WeakPolarHBondContact O-CB 3.24Å; V213-T216 PolarHBondContact O-N 3.39Å; V213-I217 HydrophobicContact CG1-CD1 3.83Å; V213-I217 HydrophobicContact CG1-CG1 4.22Å; V213-I217 WeakPolarHBondContact O-CD1 3.5Å; V213-I217 VanDerWaalsContact O-CG1 3.24Å; V213-I217 WeakPolarHBondContact O-CG1 3.03Å; V213-I217 PolarHBondContact O-N 3Å |
| 214 | F | 90 | Very high | 86.4 | Confident | 5 Ų | 5 | 45 Ų | 45 | 2% | 0.022 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -54.8 | -35.3 | 170.8 | -76 | -73.2 | 0 | 0 | 0 | 112 | I209 P210 K211 I217 A218 W237 V243 A246 V247 L250 | I209-F214 HydrophobicContact CB-CD2 4.18Å; I209-F214 HydrophobicContact CB-CE2 3.48Å; I209-F214 VanDerWaalsContact CB-CE2 3.48Å; I209-F214 HydrophobicContact CB-CZ 3.67Å; I209-F214 HydrophobicContact CD1-CE1 4.24Å; I209-F214 HydrophobicContact CD1-CZ 3.99Å; I209-F214 HydrophobicContact CG1-CZ 4.28Å; I209-F214 HydrophobicContact CG2-CD1 4.41Å; I209-F214 HydrophobicContact CG2-CD2 3.63Å; I209-F214 HydrophobicContact CG2-CE1 4.24Å; I209-F214 HydrophobicContact CG2-CE2 3.46Å; I209-F214 VanDerWaalsContact CG2-CE2 3.46Å; I209-F214 HydrophobicContact CG2-CG 4.13Å; I209-F214 HydrophobicContact CG2-CZ 3.78Å; P210-F214 PolarHBondContact O-N 3.39Å; K211-F214 WeakPolarHBondContact O-CB 3.44Å; K211-F214 PolarHBondContact O-N 3.13Å; F214-I217 HydrophobicContact CD1-CD1 4.47Å; F214-I217 PolarHBondContact O-N 3.43Å; F214-A218 WeakPolarHBondContact O-CB 3.33Å; F214-A218 PolarHBondContact O-N 3.07Å; F214-W237 HydrophobicContact CE1-CB 4.35Å; F214-W237 AromaticContact CE1-CD2 3.74Å; F214-W237 HydrophobicContact CE1-CD2 3.74Å; F214-W237 AromaticContact CE1-CE3 3.72Å; F214-W237 HydrophobicContact CE1-CE3 3.72Å; F214-W237 HydrophobicContact CE1-CG 4.03Å; F214-W237 HydrophobicContact CE1-CZ3 4.25Å; F214-W237 HydrophobicContact CZ-CB 4.39Å; F214-W237 HydrophobicContact CZ-CD2 4.2Å; F214-W237 HydrophobicContact CZ-CG 4.1Å; F214-V243 HydrophobicContact CD2-CG2 3.6Å; F214-V243 HydrophobicContact CE2-CG2 3.44Å; F214-V243 VanDerWaalsContact CE2-CG2 3.44Å; F214-A246 HydrophobicContact CB-CB 3.72Å; F214-A246 HydrophobicContact CD2-CB 4.21Å; F214-A246 HydrophobicContact CG-CB 4.19Å; F214-V247 HydrophobicContact CD1-CG2 4.24Å; F214-V247 HydrophobicContact CE1-CG2 3.85Å; F214-V247 HydrophobicContact CE2-CG2 4.12Å; F214-V247 HydrophobicContact CZ-CG2 3.77Å; F214-L250 HydrophobicContact CD1-CD2 3.8Å; F214-L250 HydrophobicContact CE1-CD2 4.31Å |
| 215 | L | 87.1 | Confident | 86.9 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 6% | 0.058 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -71 | -41.5 | 177.5 | -48.4 | -175.9 | 0 | 0 | 0 | 111.6 | L162 I165 K211 K212 V213 I217 A218 A219 W245 A246 | L162-L215 HydrophobicContact CD1-CB 4.32Å; L162-L215 HydrophobicContact CD1-CD1 3.51Å; L162-L215 HydrophobicContact CD1-CD2 3.11Å; L162-L215 HydrophobicContact CD1-CG 3.74Å; I165-L215 HydrophobicContact CD1-CD1 4.16Å; K211-L215 PolarHBondContact O-N 3.34Å; K212-L215 WeakPolarHBondContact O-CB 3.39Å; K212-L215 PolarHBondContact O-N 3.33Å; V213-L215 PolarHBondContact O-N 2.94Å; L215-I217 VanDerWaalsContact C-N 3.32Å; L215-I217 PolarHBondContact O-N 3.33Å; L215-A218 PolarHBondContact O-N 3.34Å; L215-A219 WeakPolarHBondContact O-CB 3.32Å; L215-A219 PolarHBondContact O-N 2.82Å; L215-W245 HydrophobicContact CD2-CZ3 4.11Å; L215-A246 HydrophobicContact CD2-CB 4.17Å |
| 216 | T | 92.3 | Very high | 87.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 172.3 | -50.5 | 0 | 0 | 0 | 0 | 111.2 | A111 L112 R115 F198 K212 V213 A219 C220 | A111-T216 HydrophobicContact CB-CG2 3.63Å; A111-T216 PolarHBondContact O-OG1 2.66Å; L112-T216 HydrophobicContact CD2-CG2 3.72Å; L112-T216 HydrophobicContact CG-CG2 4.1Å; R115-T216 PolarHBondContact NH2-OG1 3.1Å; F198-T216 HydrophobicContact CZ-CG2 4.38Å; K212-T216 PolarHBondContact O-N 3.15Å; K212-T216 VanDerWaalsContact O-N 3.11Å; K212-T216 PolarHBondContact O-OG1 3.26Å; V213-T216 WeakPolarHBondContact O-CB 3.24Å; V213-T216 PolarHBondContact O-N 3.39Å; T216-A219 PolarHBondContact O-N 3.18Å; T216-C220 PolarHBondContact O-N 2.92Å; T216-C220 PolarHBondContact O-SG 3.41Å |
| 217 | I | 93.8 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.1 | -48.6 | 177.4 | -61.6 | 154.9 | 0 | 0 | 0 | 109.8 | F198 W202 V213 F214 L215 A219 C220 T221 V226 A230 L250 | F198-I217 HydrophobicContact CE1-CB 4.46Å; F198-I217 HydrophobicContact CE1-CG1 3.65Å; F198-I217 HydrophobicContact CZ-CG1 4.3Å; W202-I217 HydrophobicContact CH2-CD1 3.32Å; W202-I217 HydrophobicContact CH2-CG1 3.59Å; W202-I217 HydrophobicContact CH2-CG2 4.25Å; W202-I217 HydrophobicContact CZ2-CD1 4.41Å; W202-I217 HydrophobicContact CZ2-CG1 4.24Å; W202-I217 HydrophobicContact CZ3-CD1 3.84Å; W202-I217 HydrophobicContact CZ3-CG1 4.49Å; V213-I217 HydrophobicContact CG1-CD1 3.83Å; V213-I217 HydrophobicContact CG1-CG1 4.22Å; V213-I217 WeakPolarHBondContact O-CD1 3.5Å; V213-I217 VanDerWaalsContact O-CG1 3.24Å; V213-I217 WeakPolarHBondContact O-CG1 3.03Å; V213-I217 PolarHBondContact O-N 3Å; F214-I217 HydrophobicContact CD1-CD1 4.47Å; F214-I217 PolarHBondContact O-N 3.43Å; L215-I217 VanDerWaalsContact C-N 3.32Å; L215-I217 PolarHBondContact O-N 3.33Å; I217-A219 VanDerWaalsContact C-N 3.33Å; I217-A219 PolarHBondContact O-N 2.65Å; I217-C220 CarbonylContact O-C 3.59Å; I217-C220 PolarHBondContact O-N 3.46Å; I217-T221 PolarHBondContact O-N 3.11Å; I217-V226 HydrophobicContact CG2-CG1 3.88Å; I217-A230 HydrophobicContact CG2-CB 4.03Å; I217-L250 HydrophobicContact CB-CD1 4.31Å; I217-L250 HydrophobicContact CG2-CD1 3.69Å; I217-L250 HydrophobicContact CG2-CD2 4.07Å |
| 218 | A | 91.6 | Very high | 90.9 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.008 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -58.7 | -44.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T136 F214 L215 C220 T221 L250 | T136-A218 WeakPolarHBondContact CG2-O 3.41Å; F214-A218 WeakPolarHBondContact O-CB 3.33Å; F214-A218 PolarHBondContact O-N 3.07Å; L215-A218 PolarHBondContact O-N 3.34Å; A218-C220 PolarHBondContact O-N 2.6Å; A218-T221 WeakPolarHBondContact O-CB 3.48Å; A218-T221 WeakPolarHBondContact O-CG2 3.26Å; A218-T221 PolarHBondContact O-N 2.88Å; A218-T221 VanDerWaalsContact O-N 3.07Å; A218-T221 PolarHBondContact O-OG1 2.61Å; A218-L250 HydrophobicContact CB-CD1 4.07Å |
| 219 | A | 90.2 | Very high | 91.7 | Very high | 20 Ų | 20 | 21 Ų | 21 | 17% | 0.165 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.7 | -20.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L131 T136 L215 T216 I217 | L131-A219 HydrophobicContact CD1-CB 4.47Å; L131-A219 HydrophobicContact CD2-CB 3.87Å; T136-A219 WeakPolarHBondContact CB-O 3.29Å; T136-A219 PolarHBondContact OG1-O 3.15Å; L215-A219 WeakPolarHBondContact O-CB 3.32Å; L215-A219 PolarHBondContact O-N 2.82Å; T216-A219 PolarHBondContact O-N 3.18Å; I217-A219 VanDerWaalsContact C-N 3.33Å; I217-A219 PolarHBondContact O-N 2.65Å |
| 220 | C | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | 9.9 | 177.7 | -63.2 | 0 | 0 | 0 | 0 | 113.2 | F198 T216 I217 A218 G222 F223 V226 | F198-C220 HydrophobicContact CE2-CB 3.81Å; F198-C220 HydrophobicContact CZ-CB 4.08Å; T216-C220 PolarHBondContact O-N 2.92Å; T216-C220 PolarHBondContact O-SG 3.41Å; I217-C220 CarbonylContact O-C 3.59Å; I217-C220 PolarHBondContact O-N 3.46Å; A218-C220 PolarHBondContact O-N 2.6Å; C220-G222 PolarHBondContact O-N 3.24Å; C220-F223 HydrophobicContact CB-CD2 4.26Å; C220-F223 WeakPolarHBondContact O-CD2 3.38Å; C220-F223 PolarHBondContact O-N 3.4Å; C220-F223 VanDerWaalsContact O-N 3.07Å; C220-V226 HydrophobicContact CB-CG1 4.09Å; C220-V226 HydrophobicContact CB-CG2 4.15Å; C220-V226 WeakPolarHBondContact O-CB 3.23Å |
| 221 | T | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -6.3 | 179.2 | 53.6 | 0 | 0 | 0 | 0 | 114.3 | T136 I217 A218 F223 R227 L250 I254 N257 | T136-T221 WeakPolarHBondContact CG2-OG1 3.43Å; I217-T221 PolarHBondContact O-N 3.11Å; A218-T221 WeakPolarHBondContact O-CB 3.48Å; A218-T221 WeakPolarHBondContact O-CG2 3.26Å; A218-T221 PolarHBondContact O-N 2.88Å; A218-T221 VanDerWaalsContact O-N 3.07Å; A218-T221 PolarHBondContact O-OG1 2.61Å; T221-F223 PolarHBondContact O-N 2.94Å; T221-R227 HydrophobicContact CG2-CG 4.43Å; T221-R227 WeakPolarHBondContact O-CD 3.43Å; T221-R227 WeakPolarHBondContact O-CG 2.94Å; T221-R227 PolarHBondContact O-NH1 3.43Å; T221-L250 HydrophobicContact CG2-CD1 3.99Å; T221-I254 HydrophobicContact CG2-CG1 3.81Å; T221-N257 WeakPolarHBondContact O-CB 3.33Å; T221-N257 PolarHBondContact OG1-ND2 3.27Å |
| 222 | G | 91.2 | Very high | 93 | Very high | 23 Ų | 23 | 19.6 Ų | 19.6 | 24% | 0.237 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -27.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | T136 C220 R227 | T136-G222 PolarHBondContact OG1-N 3.42Å; C220-G222 PolarHBondContact O-N 3.24Å; G222-R227 PolarHBondContact O-NH1 3.43Å; G222-R227 VanDerWaalsContact O-NH1 3.16Å |
| 223 | F | 94.1 | Very high | 93.3 | Very high | 13 Ų | 13 | 19.4 Ų | 19.4 | 6% | 0.057 | 10% | 0.1 | C | C | . | . | S | Bend | trans | -86.8 | 125.7 | 175.4 | -57.3 | -78.3 | 0 | 0 | 0 | 111.3 | F134 I187 V190 R191 V194 C220 T221 E225 V226 R227 | F134-F223 HydrophobicContact CB-CE2 3.81Å; F134-F223 HydrophobicContact CB-CZ 4.29Å; F134-F223 AromaticContact CD1-CE2 3.88Å; F134-F223 HydrophobicContact CD1-CE2 3.88Å; F134-F223 AromaticContact CD1-CZ 3.94Å; F134-F223 HydrophobicContact CD1-CZ 3.94Å; F134-F223 HydrophobicContact CD2-CE2 4.02Å; F134-F223 HydrophobicContact CE1-CE2 4.43Å; F134-F223 HydrophobicContact CE1-CZ 4.48Å; F134-F223 AromaticContact CG-CE2 3.65Å; F134-F223 HydrophobicContact CG-CE2 3.65Å; F134-F223 HydrophobicContact CG-CZ 4.14Å; I187-F223 HydrophobicContact CD1-CE1 4.1Å; I187-F223 HydrophobicContact CD1-CZ 4.42Å; V190-F223 HydrophobicContact CG1-CE1 4.43Å; V190-F223 HydrophobicContact CG1-CZ 3.89Å; R191-F223 HydrophobicContact CB-CD1 4.18Å; R191-F223 HydrophobicContact CB-CE1 4.2Å; R191-F223 HydrophobicContact CG-CD1 4.12Å; V194-F223 HydrophobicContact CG1-CB 4.25Å; V194-F223 HydrophobicContact CG1-CD2 3.9Å; V194-F223 HydrophobicContact CG1-CE2 4.47Å; V194-F223 HydrophobicContact CG1-CG 4.05Å; V194-F223 HydrophobicContact CG2-CD2 4.15Å; V194-F223 HydrophobicContact CG2-CE2 3.9Å; V194-F223 HydrophobicContact CG2-CZ 4.16Å; C220-F223 HydrophobicContact CB-CD2 4.26Å; C220-F223 WeakPolarHBondContact O-CD2 3.38Å; C220-F223 PolarHBondContact O-N 3.4Å; C220-F223 VanDerWaalsContact O-N 3.07Å; T221-F223 PolarHBondContact O-N 2.94Å; F223-E225 VanDerWaalsContact C-N 3.33Å; F223-E225 PolarHBondContact O-N 3.41Å; F223-V226 HydrophobicContact CB-CB 4.46Å; F223-V226 HydrophobicContact CB-CG2 4.03Å; F223-V226 PolarHBondContact O-N 2.93Å; F223-R227 PolarHBondContact O-N 3.41Å |
| 224 | F | 94.2 | Very high | 93.5 | Very high | 39 Ų | 39 | 19.1 Ų | 19.1 | 17% | 0.171 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -56.8 | -43.6 | -178.4 | 156 | -110.1 | 0 | 0 | 0 | 112.6 | V226 R227 L228 H264 V268 | F224-V226 PolarHBondContact O-N 3.19Å; F224-R227 WeakPolarHBondContact O-CA 3.44Å; F224-R227 WeakPolarHBondContact O-CB 3.47Å; F224-R227 PolarHBondContact O-N 3.37Å; F224-L228 HydrophobicContact CD2-CB 4.41Å; F224-L228 HydrophobicContact CE1-CD2 4.36Å; F224-L228 HydrophobicContact CE2-CB 3.84Å; F224-L228 HydrophobicContact CE2-CD2 4.24Å; F224-L228 HydrophobicContact CE2-CG 4.44Å; F224-L228 HydrophobicContact CZ-CB 4.08Å; F224-L228 HydrophobicContact CZ-CD2 3.69Å; F224-L228 HydrophobicContact CZ-CG 4.37Å; F224-L228 PolarHBondContact O-N 3.38Å; F224-H264 HydrophobicContact CD1-CB 4.33Å; F224-H264 AromaticContact CD1-ND1 3.94Å; F224-H264 HydrophobicContact CD2-CB 3.54Å; F224-H264 HydrophobicContact CE1-CB 4.2Å; F224-H264 AromaticContact CE1-CE1 3.83Å; F224-H264 AromaticContact CE1-CG 3.8Å; F224-H264 AromaticContact CE1-ND1 3.25Å; F224-H264 VanDerWaalsContact CE1-ND1 3.25Å; F224-H264 WeakPolarHBondContact CE1-ND1 3.23Å; F224-H264 HydrophobicContact CE2-CB 3.39Å; F224-H264 AromaticContact CE2-CG 3.9Å; F224-H264 AromaticContact CE2-ND1 3.84Å; F224-H264 WeakPolarHBondContact CE2-O 3.39Å; F224-H264 HydrophobicContact CG-CB 4Å; F224-H264 HydrophobicContact CZ-CB 3.72Å; F224-H264 AromaticContact CZ-CG 3.69Å; F224-H264 AromaticContact CZ-ND1 3.17Å; F224-H264 WeakPolarHBondContact CZ-ND1 3.36Å; F224-V268 HydrophobicContact CD2-CG2 4.22Å; F224-V268 HydrophobicContact CE2-CG2 4.03Å |
| 225 | E | 95 | Very high | 93.7 | Very high | 36 Ų | 36 | 20.3 Ų | 20.3 | 17% | 0.168 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61 | -34.4 | -175.9 | -60.7 | 85.4 | 171 | 0 | 0 | 111.6 | R191 T195 F223 S229 | R191-E225 IonicContact CZ-OE1 2.61Å; R191-E225 IonicContact NE-OE1 3.7Å; R191-E225 IonicContact NH1-OE1 2.67Å; R191-E225 PolarHBondContact NH1-OE1 3Å; T195-E225 HydrophobicContact CG2-CB 4.37Å; T195-E225 HydrophobicContact CG2-CG 4.27Å; F223-E225 VanDerWaalsContact C-N 3.33Å; F223-E225 PolarHBondContact O-N 3.41Å; E225-S229 WeakPolarHBondContact O-CB 3.36Å; E225-S229 PolarHBondContact O-N 3.06Å; E225-S229 VanDerWaalsContact O-N 3.08Å; E225-S229 PolarHBondContact O-OG 3.37Å |
| 226 | V | 96 | Very high | 93.9 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -71 | -46.2 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 110.3 | V194 F198 I217 C220 F223 F224 L228 S229 A230 | V194-V226 HydrophobicContact CG1-CG2 3.46Å; V194-V226 VanDerWaalsContact CG1-CG2 3.46Å; F198-V226 HydrophobicContact CD2-CG2 3.68Å; F198-V226 HydrophobicContact CE2-CG1 4.43Å; F198-V226 HydrophobicContact CE2-CG2 3.84Å; F198-V226 HydrophobicContact CG-CG2 4.42Å; I217-V226 HydrophobicContact CG2-CG1 3.88Å; C220-V226 HydrophobicContact CB-CG1 4.09Å; C220-V226 HydrophobicContact CB-CG2 4.15Å; C220-V226 WeakPolarHBondContact O-CB 3.23Å; F223-V226 HydrophobicContact CB-CB 4.46Å; F223-V226 HydrophobicContact CB-CG2 4.03Å; F223-V226 PolarHBondContact O-N 2.93Å; F224-V226 PolarHBondContact O-N 3.19Å; V226-L228 PolarHBondContact O-N 3.27Å; V226-S229 PolarHBondContact O-N 3.38Å; V226-A230 WeakPolarHBondContact O-CB 3.38Å; V226-A230 PolarHBondContact O-N 2.99Å |
| 227 | R | 95.7 | Very high | 93.9 | Very high | 19 Ų | 19 | 25.6 Ų | 25.6 | 7% | 0.072 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -57.4 | -47.8 | 175.7 | -65.5 | -160.4 | -67.8 | -97.2 | 13.3 | 111.6 | T221 G222 F223 F224 A230 S231 I254 N257 D265 V268 | T221-R227 HydrophobicContact CG2-CG 4.43Å; T221-R227 WeakPolarHBondContact O-CD 3.43Å; T221-R227 WeakPolarHBondContact O-CG 2.94Å; T221-R227 PolarHBondContact O-NH1 3.43Å; G222-R227 PolarHBondContact O-NH1 3.43Å; G222-R227 VanDerWaalsContact O-NH1 3.16Å; F223-R227 PolarHBondContact O-N 3.41Å; F224-R227 WeakPolarHBondContact O-CA 3.44Å; F224-R227 WeakPolarHBondContact O-CB 3.47Å; F224-R227 PolarHBondContact O-N 3.37Å; R227-A230 PolarHBondContact O-N 3.14Å; R227-S231 WeakPolarHBondContact O-CB 3.35Å; R227-S231 PolarHBondContact O-N 3.25Å; R227-S231 PolarHBondContact O-OG 3.07Å; R227-I254 HydrophobicContact CB-CG2 4.37Å; R227-N257 PolarHBondContact NE-O 2.79Å; R227-N257 PolarHBondContact NH1-O 2.88Å; R227-N257 VanDerWaalsContact NH1-O 3.14Å; R227-N257 PolarHBondContact NH2-O 2.7Å; R227-D265 IonicContact CZ-OD1 3.46Å; R227-D265 IonicContact NE-OD1 3.59Å; R227-D265 PolarHBondContact NE-OD1 3.29Å; R227-D265 IonicContact NH2-OD1 3.76Å; R227-D265 PolarHBondContact NH2-OD1 2.74Å; R227-D265 IonicContact NH2-OD2 3.96Å; R227-V268 HydrophobicContact CB-CG1 4.17Å; R227-V268 HydrophobicContact CB-CG2 4.09Å |
| 228 | L | 96.3 | Very high | 93.8 | Very high | 27 Ų | 27 | 26.2 Ų | 26.2 | 14% | 0.141 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -55.3 | 179.9 | 180 | 63.2 | 0 | 0 | 0 | 111 | F224 V226 A230 S231 Q232 E267 V268 | F224-L228 HydrophobicContact CD2-CB 4.41Å; F224-L228 HydrophobicContact CE1-CD2 4.36Å; F224-L228 HydrophobicContact CE2-CB 3.84Å; F224-L228 HydrophobicContact CE2-CD2 4.24Å; F224-L228 HydrophobicContact CE2-CG 4.44Å; F224-L228 HydrophobicContact CZ-CB 4.08Å; F224-L228 HydrophobicContact CZ-CD2 3.69Å; F224-L228 HydrophobicContact CZ-CG 4.37Å; F224-L228 PolarHBondContact O-N 3.38Å; V226-L228 PolarHBondContact O-N 3.27Å; L228-A230 VanDerWaalsContact C-N 3.3Å; L228-A230 PolarHBondContact O-N 3.18Å; L228-S231 PolarHBondContact O-N 3.13Å; L228-S231 PolarHBondContact O-OG 3.14Å; L228-Q232 WeakPolarHBondContact O-CG 3.42Å; L228-Q232 PolarHBondContact O-N 2.92Å; L228-E267 HydrophobicContact CD1-CB 4.32Å; L228-E267 VanDerWaalsContact CD1-CD 3.49Å; L228-E267 HydrophobicContact CD1-CG 3.7Å; L228-V268 HydrophobicContact CB-CG2 4.22Å; L228-V268 HydrophobicContact CD1-CG2 4.36Å |
| 229 | S | 95.3 | Very high | 93.7 | Very high | 31 Ų | 31 | 28.9 Ų | 28.9 | 22% | 0.217 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | -178.1 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | E225 V226 R233 | E225-S229 WeakPolarHBondContact O-CB 3.36Å; E225-S229 PolarHBondContact O-N 3.06Å; E225-S229 VanDerWaalsContact O-N 3.08Å; E225-S229 PolarHBondContact O-OG 3.37Å; V226-S229 PolarHBondContact O-N 3.38Å; S229-R233 PolarHBondContact O-NH1 3.03Å |
| 230 | A | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -69.6 | -44.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I217 V226 R227 L228 Q232 R233 L234 W237 L250 I254 | I217-A230 HydrophobicContact CG2-CB 4.03Å; V226-A230 WeakPolarHBondContact O-CB 3.38Å; V226-A230 PolarHBondContact O-N 2.99Å; R227-A230 PolarHBondContact O-N 3.14Å; L228-A230 VanDerWaalsContact C-N 3.3Å; L228-A230 PolarHBondContact O-N 3.18Å; A230-Q232 VanDerWaalsContact C-N 3.29Å; A230-Q232 PolarHBondContact O-N 2.93Å; A230-R233 PolarHBondContact O-N 3.06Å; A230-L234 WeakPolarHBondContact O-CB 3.44Å; A230-L234 PolarHBondContact O-N 3.47Å; A230-W237 HydrophobicContact CB-CZ3 4.17Å; A230-L250 HydrophobicContact CB-CD2 4.41Å; A230-I254 HydrophobicContact CB-CD1 3.75Å |
| 231 | S | 96 | Very high | 93.1 | Very high | 3 Ų | 3 | 34.8 Ų | 34.8 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -60.7 | -36.3 | -178.7 | 70.7 | 0 | 0 | 0 | 0 | 113.1 | R227 L228 R233 L234 | R227-S231 WeakPolarHBondContact O-CB 3.35Å; R227-S231 PolarHBondContact O-N 3.25Å; R227-S231 PolarHBondContact O-OG 3.07Å; L228-S231 PolarHBondContact O-N 3.13Å; L228-S231 PolarHBondContact O-OG 3.14Å; S231-R233 PolarHBondContact O-N 2.95Å; S231-L234 PolarHBondContact O-N 3.32Å |
| 232 | Q | 95 | Very high | 92.7 | Very high | 88 Ų | 88 | 45.3 Ų | 45.3 | 41% | 0.411 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -27.6 | 175.8 | -72.2 | 172.2 | -10 | 0 | 0 | 113.5 | L228 A230 H271 | L228-Q232 WeakPolarHBondContact O-CG 3.42Å; L228-Q232 PolarHBondContact O-N 2.92Å; A230-Q232 VanDerWaalsContact C-N 3.29Å; A230-Q232 PolarHBondContact O-N 2.93Å; Q232-H271 WeakPolarHBondContact CG-NE2 3.49Å |
| 233 | R | 93.2 | Very high | 92.5 | Very high | 83 Ų | 83 | 45.8 Ų | 45.8 | 31% | 0.313 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -103.3 | -15.5 | -176 | -69.6 | 160 | -176.5 | 63.3 | 5 | 112.9 | S229 A230 S231 D235 N236 W237 | S229-R233 PolarHBondContact O-NH1 3.03Å; A230-R233 PolarHBondContact O-N 3.06Å; S231-R233 PolarHBondContact O-N 2.95Å; R233-D235 VanDerWaalsContact C-N 3.33Å; R233-D235 PolarHBondContact O-N 3.48Å; R233-N236 WeakPolarHBondContact O-CB 3.19Å; R233-N236 PolarHBondContact O-N 3Å; R233-W237 HydrophobicContact CB-CD2 4.01Å; R233-W237 HydrophobicContact CB-CE3 4.14Å; R233-W237 HydrophobicContact CB-CH2 3.66Å; R233-W237 HydrophobicContact CB-CZ2 3.48Å; R233-W237 VanDerWaalsContact CB-CZ2 3.48Å; R233-W237 HydrophobicContact CB-CZ3 3.98Å; R233-W237 HydrophobicContact CG-CH2 4.46Å; R233-W237 HydrophobicContact CG-CZ2 4.15Å; R233-W237 PolarHBondContact O-N 3.37Å; R233-W237 VanDerWaalsContact O-N 3.12Å |
| 234 | L | 94.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.3 | -37.3 | -170 | -167.2 | 62.4 | 0 | 0 | 0 | 113.1 | A230 S231 N236 W237 L238 V247 L250 L251 I254 L272 I275 | A230-L234 WeakPolarHBondContact O-CB 3.44Å; A230-L234 PolarHBondContact O-N 3.47Å; S231-L234 PolarHBondContact O-N 3.32Å; L234-N236 VanDerWaalsContact C-N 3.28Å; L234-N236 PolarHBondContact O-N 3.24Å; L234-W237 HydrophobicContact CD1-CE3 4.04Å; L234-W237 PolarHBondContact O-N 3.24Å; L234-L238 HydrophobicContact CD1-CG 4.48Å; L234-L238 HydrophobicContact CG-CD1 4.03Å; L234-L238 HydrophobicContact CG-CG 4.3Å; L234-L238 WeakPolarHBondContact O-CB 3.4Å; L234-L238 VanDerWaalsContact O-CG 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.33Å; L234-L238 PolarHBondContact O-N 2.86Å; L234-V247 HydrophobicContact CD1-CG1 3.75Å; L234-L250 HydrophobicContact CD1-CD2 4.18Å; L234-L250 HydrophobicContact CD1-CG 4.32Å; L234-L251 HydrophobicContact CD2-CB 4.1Å; L234-L251 HydrophobicContact CD2-CD1 3.54Å; L234-L251 HydrophobicContact CD2-CG 4.42Å; L234-I254 HydrophobicContact CD2-CD1 4.01Å; L234-L272 HydrophobicContact CD2-CD2 3.73Å; L234-I275 HydrophobicContact CD2-CD1 3.97Å; L234-I275 HydrophobicContact CG-CD1 4.29Å |
| 235 | D | 93.4 | Very high | 91.6 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 17% | 0.166 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -56.7 | -43.2 | 175.2 | -176 | 52 | 0 | 0 | 0 | 111.6 | R233 Q239 I275 R276 | R233-D235 VanDerWaalsContact C-N 3.33Å; R233-D235 PolarHBondContact O-N 3.48Å; D235-Q239 WeakPolarHBondContact O-CG 3.46Å; D235-Q239 PolarHBondContact O-N 2.8Å; D235-Q239 PolarHBondContact O-NE2 3.01Å; D235-Q239 PolarHBondContact OD1-NE2 3.37Å; D235-Q239 PolarHBondContact OD2-NE2 3.04Å; D235-I275 HydrophobicContact CB-CG1 4.32Å; D235-R276 PolarHBondContact OD1-N 3.13Å; D235-R276 IonicContact OD1-NE 2.92Å; D235-R276 IonicContact OD2-CZ 2.86Å; D235-R276 IonicContact OD2-NE 3.7Å; D235-R276 PolarHBondContact OD2-NE 2.95Å; D235-R276 VanDerWaalsContact OD2-NE 3.13Å; D235-R276 IonicContact OD2-NH2 2.68Å; D235-R276 PolarHBondContact OD2-NH2 3.48Å |
| 236 | N | 92.4 | Very high | 91.2 | Very high | 93 Ų | 93 | 43.4 Ų | 43.4 | 50% | 0.497 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.9 | -39.9 | 179 | -175.5 | 56.4 | 0 | 0 | 0 | 111.9 | R233 L234 Q239 N240 | R233-N236 WeakPolarHBondContact O-CB 3.19Å; R233-N236 PolarHBondContact O-N 3Å; L234-N236 VanDerWaalsContact C-N 3.28Å; L234-N236 PolarHBondContact O-N 3.24Å; N236-Q239 PolarHBondContact O-N 2.68Å; N236-N240 WeakPolarHBondContact O-CB 3.49Å; N236-N240 PolarHBondContact O-N 3.1Å; N236-N240 VanDerWaalsContact O-N 3.11Å; N236-N240 PolarHBondContact O-ND2 2.92Å; N236-N240 VanDerWaalsContact O-ND2 3.16Å; N236-N240 PolarHBondContact OD1-ND2 2.99Å |
| 237 | W | 92.1 | Very high | 90.9 | Very high | 28 Ų | 28 | 43.3 Ų | 43.3 | 11% | 0.106 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.2 | -42 | 177.2 | -63.1 | -28.9 | 0 | 0 | 0 | 112 | W202 I209 F214 A230 R233 L234 Q239 N240 S241 V247 L250 | W202-W237 AromaticContact CH2-CH2 3.98Å; W202-W237 HydrophobicContact CH2-CH2 3.98Å; W202-W237 AromaticContact CZ3-CH2 3.83Å; W202-W237 HydrophobicContact CZ3-CH2 3.83Å; W202-W237 HydrophobicContact CZ3-CZ2 4.01Å; I209-W237 HydrophobicContact CD1-CD2 4.29Å; I209-W237 HydrophobicContact CD1-CH2 4.15Å; I209-W237 HydrophobicContact CD1-CZ2 3.26Å; F214-W237 HydrophobicContact CE1-CB 4.35Å; F214-W237 AromaticContact CE1-CD2 3.74Å; F214-W237 HydrophobicContact CE1-CD2 3.74Å; F214-W237 AromaticContact CE1-CE3 3.72Å; F214-W237 HydrophobicContact CE1-CE3 3.72Å; F214-W237 HydrophobicContact CE1-CG 4.03Å; F214-W237 HydrophobicContact CE1-CZ3 4.25Å; F214-W237 HydrophobicContact CZ-CB 4.39Å; F214-W237 HydrophobicContact CZ-CD2 4.2Å; F214-W237 HydrophobicContact CZ-CG 4.1Å; A230-W237 HydrophobicContact CB-CZ3 4.17Å; R233-W237 HydrophobicContact CB-CD2 4.01Å; R233-W237 HydrophobicContact CB-CE3 4.14Å; R233-W237 HydrophobicContact CB-CH2 3.66Å; R233-W237 HydrophobicContact CB-CZ2 3.48Å; R233-W237 VanDerWaalsContact CB-CZ2 3.48Å; R233-W237 HydrophobicContact CB-CZ3 3.98Å; R233-W237 HydrophobicContact CG-CH2 4.46Å; R233-W237 HydrophobicContact CG-CZ2 4.15Å; R233-W237 PolarHBondContact O-N 3.37Å; R233-W237 VanDerWaalsContact O-N 3.12Å; L234-W237 HydrophobicContact CD1-CE3 4.04Å; L234-W237 PolarHBondContact O-N 3.24Å; W237-Q239 PolarHBondContact O-N 3.21Å; W237-N240 PolarHBondContact O-N 3.39Å; W237-S241 WeakPolarHBondContact O-CA 3.23Å; W237-S241 WeakPolarHBondContact O-CB 3.46Å; W237-S241 PolarHBondContact O-N 3.41Å; W237-V247 HydrophobicContact CB-CG1 3.91Å; W237-V247 HydrophobicContact CB-CG2 4.36Å; W237-L250 HydrophobicContact CE3-CD2 4.04Å; W237-L250 HydrophobicContact CZ3-CD2 3.74Å |
| 238 | L | 91.3 | Very high | 90.6 | Very high | 14 Ų | 14 | 42.4 Ų | 42.4 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62 | -29.6 | 176.4 | -71.8 | 167.8 | 0 | 0 | 0 | 112.5 | L234 V247 L251 I275 F282 | L234-L238 HydrophobicContact CD1-CG 4.48Å; L234-L238 HydrophobicContact CG-CD1 4.03Å; L234-L238 HydrophobicContact CG-CG 4.3Å; L234-L238 WeakPolarHBondContact O-CB 3.4Å; L234-L238 VanDerWaalsContact O-CG 3.31Å; L234-L238 WeakPolarHBondContact O-CG 3.33Å; L234-L238 PolarHBondContact O-N 2.86Å; L238-V247 HydrophobicContact CD2-CB 4.41Å; L238-V247 HydrophobicContact CD2-CG1 3.57Å; L238-V247 HydrophobicContact CG-CG1 3.84Å; L238-L251 HydrophobicContact CD1-CD2 4.34Å; L238-L251 HydrophobicContact CD2-CD2 4.42Å; L238-I275 HydrophobicContact CD1-CD1 4.02Å; L238-I275 HydrophobicContact CD1-CG2 3.62Å; L238-F282 HydrophobicContact CD2-CB 4.44Å; L238-F282 HydrophobicContact CD2-CD1 3.4Å; L238-F282 HydrophobicContact CD2-CD2 4.28Å; L238-F282 HydrophobicContact CD2-CE1 3.52Å; L238-F282 HydrophobicContact CD2-CE2 4.39Å; L238-F282 HydrophobicContact CD2-CG 3.81Å; L238-F282 HydrophobicContact CD2-CZ 4.03Å; L238-F282 WeakPolarHBondContact O-CD2 3.43Å; L238-F282 WeakPolarHBondContact O-CE2 3.35Å |
| 239 | Q | 89.6 | Confident | 90.2 | Very high | 57 Ų | 57 | 41.5 Ų | 41.5 | 27% | 0.266 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -83.5 | -28 | 179.1 | -70.8 | 179.1 | 60.9 | 0 | 0 | 113.8 | D235 N236 W237 R276 | D235-Q239 WeakPolarHBondContact O-CG 3.46Å; D235-Q239 PolarHBondContact O-N 2.8Å; D235-Q239 PolarHBondContact O-NE2 3.01Å; D235-Q239 PolarHBondContact OD1-NE2 3.37Å; D235-Q239 PolarHBondContact OD2-NE2 3.04Å; N236-Q239 PolarHBondContact O-N 2.68Å; W237-Q239 PolarHBondContact O-N 3.21Å; Q239-R276 VanDerWaalsContact NE2-NH2 3.14Å |
| 240 | N | 88 | Confident | 90 | Very high | 111 Ų | 111 | 40 Ų | 40 | 59% | 0.594 | 19% | 0.189 | S | C | * | . | H | α-helix | trans | -124.6 | 4.9 | -168.2 | -62.9 | -62.1 | 0 | 0 | 0 | 114.9 | N236 W237 | N236-N240 WeakPolarHBondContact O-CB 3.49Å; N236-N240 PolarHBondContact O-N 3.1Å; N236-N240 VanDerWaalsContact O-N 3.11Å; N236-N240 PolarHBondContact O-ND2 2.92Å; N236-N240 VanDerWaalsContact O-ND2 3.16Å; N236-N240 PolarHBondContact OD1-ND2 2.99Å; W237-N240 PolarHBondContact O-N 3.39Å |
| 241 | S | 83.9 | Confident | 90 | Very high | 32 Ų | 32 | 40 Ų | 40 | 22% | 0.224 | 19% | 0.189 | C | C | . | . | trans | -74 | 133.5 | -172.4 | -177.7 | 0 | 0 | 0 | 0 | 113.7 | W237 V243 V247 | W237-S241 WeakPolarHBondContact O-CA 3.23Å; W237-S241 WeakPolarHBondContact O-CB 3.46Å; W237-S241 PolarHBondContact O-N 3.41Å; S241-V243 VanDerWaalsContact C-N 3.27Å; S241-V243 WeakPolarHBondContact OG-CA 3.45Å; S241-V243 VanDerWaalsContact OG-CG2 3.29Å; S241-V243 WeakPolarHBondContact OG-CG2 3.42Å; S241-V243 PolarHBondContact OG-N 3.47Å; S241-V243 PolarHBondContact OG-O 3.13Å; S241-V247 VanDerWaalsContact CB-CG2 3.49Å; S241-V247 WeakPolarHBondContact OG-CG2 3.37Å | ||
| 242 | R | 84.9 | Confident | 89.8 | Confident | 221 Ų | 221 | 39.9 Ų | 39.9 | 83% | 0.834 | 19% | 0.188 | S | C | * | . | S | Bend | trans | -84.1 | -3.3 | 166.5 | -61 | -176.6 | -178.5 | 178.7 | 0.4 | 113.2 | P244 | R242-P244 VanDerWaalsContact C-CD 3.43Š|
| 243 | V | 85.8 | Confident | 89.6 | Confident | 34 Ų | 34 | 35.8 Ų | 35.8 | 21% | 0.206 | 17% | 0.169 | C | C | . | . | trans | -128.8 | 59 | -177.6 | -68.4 | 0 | 0 | 0 | 0 | 108.8 | K211 F214 S241 W245 A246 V247 | K211-V243 HydrophobicContact CB-CB 4.31Å; K211-V243 HydrophobicContact CB-CG1 3.81Å; K211-V243 HydrophobicContact CG-CG1 4.39Å; F214-V243 HydrophobicContact CD2-CG2 3.6Å; F214-V243 HydrophobicContact CE2-CG2 3.44Å; F214-V243 VanDerWaalsContact CE2-CG2 3.44Å; S241-V243 VanDerWaalsContact C-N 3.27Å; S241-V243 WeakPolarHBondContact OG-CA 3.45Å; S241-V243 VanDerWaalsContact OG-CG2 3.29Å; S241-V243 WeakPolarHBondContact OG-CG2 3.42Å; S241-V243 PolarHBondContact OG-N 3.47Å; S241-V243 PolarHBondContact OG-O 3.13Å; V243-W245 PolarHBondContact O-N 3.44Å; V243-W245 VanDerWaalsContact O-N 3.13Å; V243-A246 HydrophobicContact CB-CB 4.22Å; V243-A246 HydrophobicContact CG2-CB 4.26Å; V243-A246 PolarHBondContact O-N 3.4Å; V243-V247 PolarHBondContact O-N 3.44Å | ||
| 244 | P | 86.3 | Confident | 89.6 | Confident | 31 Ų | 31 | 31.9 Ų | 31.9 | 20% | 0.201 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -56.4 | -37.2 | -166.4 | 23.6 | -35.7 | 0 | 0 | 0 | 112.5 | T154 F155 R242 A246 V247 A248 F282 | T154-P244 WeakPolarHBondContact O-CG 3.4Å; F155-P244 HydrophobicContact CD1-CB 4.08Å; F155-P244 HydrophobicContact CD1-CG 4.2Å; F155-P244 HydrophobicContact CE1-CB 3.97Å; R242-P244 VanDerWaalsContact C-CD 3.43Å; P244-A246 PolarHBondContact O-N 2.89Å; P244-V247 PolarHBondContact O-N 3.18Å; P244-A248 WeakPolarHBondContact O-CB 3.49Å; P244-A248 PolarHBondContact O-N 2.95Å; P244-F282 HydrophobicContact CB-CE1 4.32Å; P244-F282 HydrophobicContact CB-CE2 4.48Å; P244-F282 HydrophobicContact CB-CZ 3.64Å |
| 245 | W | 83.8 | Confident | 89.5 | Confident | 6 Ų | 6 | 31.9 Ų | 31.9 | 2% | 0.023 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 176.9 | 174.2 | 89.5 | 0 | 0 | 0 | 113.7 | W144 F155 D158 L162 L215 V243 V247 A248 W249 | W144-W245 AromaticContact CH2-CE2 3.79Å; W144-W245 AromaticContact CH2-CZ2 3.61Å; W144-W245 HydrophobicContact CH2-CZ2 3.61Å; W144-W245 AromaticContact CH2-NE1 3.58Å; W144-W245 HydrophobicContact CZ2-CZ2 4.41Å; W144-W245 AromaticContact CZ3-NE1 3.92Å; F155-W245 HydrophobicContact CB-CB 3.81Å; F155-W245 HydrophobicContact CB-CG 4.19Å; F155-W245 VanDerWaalsContact CD1-CA 3.46Å; F155-W245 HydrophobicContact CD1-CB 3.66Å; F155-W245 HydrophobicContact CG-CB 3.93Å; F155-W245 HydrophobicContact CG-CG 4.45Å; D158-W245 WeakPolarHBondContact O-CH2 3.41Å; L162-W245 HydrophobicContact CB-CH2 3.02Å; L162-W245 HydrophobicContact CB-CZ2 3.49Å; L162-W245 VanDerWaalsContact CB-CZ2 3.49Å; L162-W245 HydrophobicContact CB-CZ3 4.01Å; L162-W245 HydrophobicContact CD1-CH2 3.67Å; L162-W245 HydrophobicContact CD1-CZ2 4.26Å; L162-W245 HydrophobicContact CD1-CZ3 3.92Å; L162-W245 HydrophobicContact CD2-CH2 3.73Å; L162-W245 HydrophobicContact CD2-CZ2 3.48Å; L162-W245 VanDerWaalsContact CD2-CZ2 3.48Å; L162-W245 HydrophobicContact CG-CH2 3.64Å; L162-W245 HydrophobicContact CG-CZ2 3.92Å; L162-W245 HydrophobicContact CG-CZ3 4.39Å; L215-W245 HydrophobicContact CD2-CZ3 4.11Å; V243-W245 PolarHBondContact O-N 3.44Å; V243-W245 VanDerWaalsContact O-N 3.13Å; W245-V247 PolarHBondContact O-N 2.81Å; W245-A248 WeakPolarHBondContact O-CB 3.32Å; W245-A248 PolarHBondContact O-N 2.88Å; W245-W249 WeakPolarHBondContact O-CB 3.5Å; W245-W249 PolarHBondContact O-N 3.46Å |
| 246 | A | 86.9 | Confident | 89.3 | Confident | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -70.1 | -29.8 | -179 | 0 | 0 | 0 | 0 | 0 | 110.9 | K211 F214 L215 V243 P244 L250 | K211-A246 HydrophobicContact CG-CB 4.01Å; F214-A246 HydrophobicContact CB-CB 3.72Å; F214-A246 HydrophobicContact CD2-CB 4.21Å; F214-A246 HydrophobicContact CG-CB 4.19Å; L215-A246 HydrophobicContact CD2-CB 4.17Å; V243-A246 HydrophobicContact CB-CB 4.22Å; V243-A246 HydrophobicContact CG2-CB 4.26Å; V243-A246 PolarHBondContact O-N 3.4Å; P244-A246 PolarHBondContact O-N 2.89Å; A246-L250 PolarHBondContact O-N 2.89Å; A246-L250 VanDerWaalsContact O-N 3.11Å |
| 247 | V | 90.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -75.7 | -39.4 | 173.6 | -170 | 0 | 0 | 0 | 0 | 111.2 | F214 L234 W237 L238 S241 V243 P244 W245 W249 L250 L251 | F214-V247 HydrophobicContact CD1-CG2 4.24Å; F214-V247 HydrophobicContact CE1-CG2 3.85Å; F214-V247 HydrophobicContact CE2-CG2 4.12Å; F214-V247 HydrophobicContact CZ-CG2 3.77Å; L234-V247 HydrophobicContact CD1-CG1 3.75Å; W237-V247 HydrophobicContact CB-CG1 3.91Å; W237-V247 HydrophobicContact CB-CG2 4.36Å; L238-V247 HydrophobicContact CD2-CB 4.41Å; L238-V247 HydrophobicContact CD2-CG1 3.57Å; L238-V247 HydrophobicContact CG-CG1 3.84Å; S241-V247 VanDerWaalsContact CB-CG2 3.49Å; S241-V247 WeakPolarHBondContact OG-CG2 3.37Å; V243-V247 PolarHBondContact O-N 3.44Å; P244-V247 PolarHBondContact O-N 3.18Å; W245-V247 PolarHBondContact O-N 2.81Å; V247-W249 VanDerWaalsContact C-N 3.31Å; V247-W249 PolarHBondContact O-N 3.49Å; V247-L250 PolarHBondContact O-N 3.28Å; V247-L251 PolarHBondContact O-N 3.31Å |
| 248 | A | 89.5 | Confident | 89.1 | Confident | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -58.5 | -44.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L147 F155 P244 W245 L250 L251 I252 F282 V285 | L147-A248 HydrophobicContact CD1-CB 4.14Å; F155-A248 HydrophobicContact CE1-CB 4.1Å; F155-A248 HydrophobicContact CZ-CB 4.03Å; P244-A248 WeakPolarHBondContact O-CB 3.49Å; P244-A248 PolarHBondContact O-N 2.95Å; W245-A248 WeakPolarHBondContact O-CB 3.32Å; W245-A248 PolarHBondContact O-N 2.88Å; A248-L250 PolarHBondContact O-N 2.98Å; A248-L251 WeakPolarHBondContact O-CB 3.48Å; A248-L251 PolarHBondContact O-N 3.1Å; A248-I252 WeakPolarHBondContact O-CG1 3.45Å; A248-I252 PolarHBondContact O-N 2.82Å; A248-I252 VanDerWaalsContact O-N 3.08Å; A248-F282 HydrophobicContact CB-CE1 4.32Å; A248-V285 HydrophobicContact CB-CB 4.45Å; A248-V285 HydrophobicContact CB-CG1 3.67Å; A248-V285 HydrophobicContact CB-CG2 4.07Å |
| 249 | W | 87 | Confident | 88.7 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.027 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.9 | -47.3 | 174.3 | 179.7 | -101.3 | 0 | 0 | 0 | 112.3 | L138 P139 W144 L162 V166 W245 V247 L251 I252 S253 | L138-W249 HydrophobicContact CD2-CZ2 4.08Å; P139-W249 HydrophobicContact CB-CH2 4.03Å; P139-W249 HydrophobicContact CB-CZ3 3.95Å; P139-W249 HydrophobicContact CG-CE3 4.09Å; P139-W249 HydrophobicContact CG-CH2 3.45Å; P139-W249 VanDerWaalsContact CG-CH2 3.45Å; P139-W249 HydrophobicContact CG-CZ2 3.94Å; P139-W249 HydrophobicContact CG-CZ3 3.55Å; W144-W249 HydrophobicContact CD2-CZ3 4.13Å; W144-W249 AromaticContact CE3-CE3 3.67Å; W144-W249 HydrophobicContact CE3-CE3 3.67Å; W144-W249 HydrophobicContact CE3-CH2 4.41Å; W144-W249 AromaticContact CE3-CZ3 3.27Å; W144-W249 HydrophobicContact CE3-CZ3 3.27Å; W144-W249 HydrophobicContact CH2-CE3 4.2Å; W144-W249 HydrophobicContact CH2-CZ3 4.25Å; W144-W249 HydrophobicContact CZ3-CD2 4.42Å; W144-W249 AromaticContact CZ3-CE3 3.29Å; W144-W249 HydrophobicContact CZ3-CE3 3.29Å; W144-W249 AromaticContact CZ3-CZ3 3.36Å; W144-W249 HydrophobicContact CZ3-CZ3 3.36Å; L162-W249 HydrophobicContact CD1-CD2 4.45Å; L162-W249 HydrophobicContact CD1-CG 4.39Å; L162-W249 HydrophobicContact CD2-CD2 3.95Å; L162-W249 HydrophobicContact CD2-CE3 3.93Å; L162-W249 HydrophobicContact CD2-CH2 4.47Å; L162-W249 HydrophobicContact CD2-CZ3 4.18Å; V166-W249 HydrophobicContact CB-CH2 4.08Å; V166-W249 HydrophobicContact CB-CZ2 4.02Å; V166-W249 HydrophobicContact CG1-CH2 3.22Å; V166-W249 HydrophobicContact CG1-CZ2 3.53Å; V166-W249 HydrophobicContact CG1-CZ3 4.24Å; V166-W249 HydrophobicContact CG2-CH2 3.78Å; V166-W249 HydrophobicContact CG2-CZ2 3.25Å; W245-W249 WeakPolarHBondContact O-CB 3.5Å; W245-W249 PolarHBondContact O-N 3.46Å; V247-W249 VanDerWaalsContact C-N 3.31Å; V247-W249 PolarHBondContact O-N 3.49Å; W249-L251 VanDerWaalsContact C-N 3.34Å; W249-L251 PolarHBondContact O-N 3.35Å; W249-I252 PolarHBondContact O-N 3.3Å; W249-S253 WeakPolarHBondContact O-CB 3.18Å; W249-S253 PolarHBondContact O-N 2.5Å; W249-S253 PolarHBondContact O-OG 2.82Å |
| 250 | L | 92 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 176.9 | 178.7 | 59.4 | 0 | 0 | 0 | 111.9 | F214 I217 A218 T221 A230 L234 W237 A246 V247 A248 S253 I254 | F214-L250 HydrophobicContact CD1-CD2 3.8Å; F214-L250 HydrophobicContact CE1-CD2 4.31Å; I217-L250 HydrophobicContact CB-CD1 4.31Å; I217-L250 HydrophobicContact CG2-CD1 3.69Å; I217-L250 HydrophobicContact CG2-CD2 4.07Å; A218-L250 HydrophobicContact CB-CD1 4.07Å; T221-L250 HydrophobicContact CG2-CD1 3.99Å; A230-L250 HydrophobicContact CB-CD2 4.41Å; L234-L250 HydrophobicContact CD1-CD2 4.18Å; L234-L250 HydrophobicContact CD1-CG 4.32Å; W237-L250 HydrophobicContact CE3-CD2 4.04Å; W237-L250 HydrophobicContact CZ3-CD2 3.74Å; A246-L250 PolarHBondContact O-N 2.89Å; A246-L250 VanDerWaalsContact O-N 3.11Å; V247-L250 PolarHBondContact O-N 3.28Å; A248-L250 PolarHBondContact O-N 2.98Å; L250-S253 PolarHBondContact O-N 2.67Å; L250-I254 HydrophobicContact CD1-CD1 3.8Å; L250-I254 HydrophobicContact CD1-CG1 3.91Å; L250-I254 HydrophobicContact CD2-CD1 4.48Å; L250-I254 HydrophobicContact CG-CD1 3.79Å; L250-I254 HydrophobicContact CG-CG1 4.35Å; L250-I254 VanDerWaalsContact O-CG1 3.29Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 2.97Å |
| 251 | L | 94.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.5 | -49.9 | 177.1 | 173.6 | 63.4 | 0 | 0 | 0 | 111.6 | L234 L238 V247 A248 W249 S253 I254 W255 L272 I275 V285 F286 A289 | L234-L251 HydrophobicContact CD2-CB 4.1Å; L234-L251 HydrophobicContact CD2-CD1 3.54Å; L234-L251 HydrophobicContact CD2-CG 4.42Å; L238-L251 HydrophobicContact CD1-CD2 4.34Å; L238-L251 HydrophobicContact CD2-CD2 4.42Å; V247-L251 PolarHBondContact O-N 3.31Å; A248-L251 WeakPolarHBondContact O-CB 3.48Å; A248-L251 PolarHBondContact O-N 3.1Å; W249-L251 VanDerWaalsContact C-N 3.34Å; W249-L251 PolarHBondContact O-N 3.35Å; L251-S253 VanDerWaalsContact C-N 3.33Å; L251-S253 PolarHBondContact O-N 2.86Å; L251-I254 PolarHBondContact O-N 3.41Å; L251-W255 VanDerWaalsContact O-CD1 3.31Å; L251-W255 PolarHBondContact O-N 2.93Å; L251-W255 VanDerWaalsContact O-N 3.16Å; L251-L272 HydrophobicContact CD1-CD2 4.27Å; L251-I275 HydrophobicContact CD1-CD1 4.09Å; L251-V285 HydrophobicContact CD2-CG1 4.01Å; L251-F286 HydrophobicContact CD1-CD2 4.33Å; L251-F286 HydrophobicContact CD2-CB 4.18Å; L251-F286 HydrophobicContact CD2-CD2 4.34Å; L251-A289 HydrophobicContact CG-CB 4.29Å |
| 252 | I | 91.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 178.4 | -57.3 | 165.2 | 0 | 0 | 0 | 110.2 | P139 L147 A248 W249 I254 W255 R256 V285 L288 A289 | P139-I252 HydrophobicContact CB-CG2 3.75Å; P139-I252 HydrophobicContact CG-CB 4.17Å; P139-I252 HydrophobicContact CG-CG2 3.69Å; L147-I252 HydrophobicContact CD2-CD1 4.49Å; A248-I252 WeakPolarHBondContact O-CG1 3.45Å; A248-I252 PolarHBondContact O-N 2.82Å; A248-I252 VanDerWaalsContact O-N 3.08Å; W249-I252 PolarHBondContact O-N 3.3Å; I252-I254 PolarHBondContact O-N 2.84Å; I252-W255 PolarHBondContact O-N 3.16Å; I252-R256 WeakPolarHBondContact O-CB 3.18Å; I252-R256 PolarHBondContact O-N 3.19Å; I252-V285 HydrophobicContact CD1-CG1 4.14Å; I252-V285 HydrophobicContact CG1-CG1 4.05Å; I252-L288 HydrophobicContact CD1-CD2 4.22Å; I252-A289 HydrophobicContact CB-CB 4.31Å; I252-A289 HydrophobicContact CG1-CB 3.94Å |
| 253 | S | 90.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.014 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.2 | -44.6 | -179.8 | -57.4 | 0 | 0 | 0 | 0 | 112.2 | W249 L250 L251 R256 N257 | W249-S253 WeakPolarHBondContact O-CB 3.18Å; W249-S253 PolarHBondContact O-N 2.5Å; W249-S253 PolarHBondContact O-OG 2.82Å; L250-S253 PolarHBondContact O-N 2.67Å; L251-S253 VanDerWaalsContact C-N 3.33Å; L251-S253 PolarHBondContact O-N 2.86Å; S253-R256 PolarHBondContact O-N 2.8Å; S253-N257 WeakPolarHBondContact O-CB 3.42Å; S253-N257 PolarHBondContact O-N 3.06Å; S253-N257 PolarHBondContact O-ND2 3.04Å |
| 254 | I | 94.3 | Very high | 87.6 | Confident | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 178.1 | -63.4 | 164.9 | 0 | 0 | 0 | 110.5 | T221 R227 A230 L234 L250 L251 I252 R256 N257 S258 V268 L272 | T221-I254 HydrophobicContact CG2-CG1 3.81Å; R227-I254 HydrophobicContact CB-CG2 4.37Å; A230-I254 HydrophobicContact CB-CD1 3.75Å; L234-I254 HydrophobicContact CD2-CD1 4.01Å; L250-I254 HydrophobicContact CD1-CD1 3.8Å; L250-I254 HydrophobicContact CD1-CG1 3.91Å; L250-I254 HydrophobicContact CD2-CD1 4.48Å; L250-I254 HydrophobicContact CG-CD1 3.79Å; L250-I254 HydrophobicContact CG-CG1 4.35Å; L250-I254 VanDerWaalsContact O-CG1 3.29Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 2.97Å; L251-I254 PolarHBondContact O-N 3.41Å; I252-I254 PolarHBondContact O-N 2.84Å; I254-R256 VanDerWaalsContact C-N 3.31Å; I254-R256 PolarHBondContact O-N 2.67Å; I254-N257 PolarHBondContact O-N 2.97Å; I254-S258 PolarHBondContact O-N 3.47Å; I254-S258 PolarHBondContact O-OG 2.91Å; I254-V268 HydrophobicContact CG2-CG1 3.55Å; I254-L272 HydrophobicContact CG2-CD1 3.92Å; I254-L272 HydrophobicContact CG2-CD2 4.19Å; I254-L272 HydrophobicContact CG2-CG 4.48Å |
| 255 | W | 92.6 | Very high | 87.7 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -42.7 | 178.1 | -90.1 | 109.1 | 0 | 0 | 0 | 112.7 | L251 I252 I269 L272 F286 A289 V290 S293 K300 L304 | L251-W255 VanDerWaalsContact O-CD1 3.31Å; L251-W255 PolarHBondContact O-N 2.93Å; L251-W255 VanDerWaalsContact O-N 3.16Å; I252-W255 PolarHBondContact O-N 3.16Å; W255-I269 HydrophobicContact CH2-CG2 4.38Å; W255-I269 HydrophobicContact CZ3-CG1 4.44Å; W255-I269 HydrophobicContact CZ3-CG2 4.41Å; W255-L272 HydrophobicContact CD2-CD1 3.62Å; W255-L272 HydrophobicContact CE3-CD1 4.12Å; W255-L272 HydrophobicContact CG-CD1 3.89Å; W255-L272 HydrophobicContact CH2-CB 4.15Å; W255-L272 HydrophobicContact CH2-CD1 4.45Å; W255-L272 HydrophobicContact CZ2-CB 3.48Å; W255-L272 VanDerWaalsContact CZ2-CB 3.48Å; W255-L272 HydrophobicContact CZ2-CD1 4.01Å; W255-L272 HydrophobicContact CZ2-CG 4.38Å; W255-L272 HydrophobicContact CZ3-CD1 4.5Å; W255-F286 AromaticContact CZ2-CE2 3.9Å; W255-F286 HydrophobicContact CZ2-CE2 3.9Å; W255-F286 AromaticContact CZ2-CZ 3.8Å; W255-F286 HydrophobicContact CZ2-CZ 3.8Å; W255-F286 AromaticContact NE1-CE2 3.83Å; W255-A289 HydrophobicContact CB-CB 3.97Å; W255-A289 VanDerWaalsContact CD1-CB 3.42Å; W255-A289 HydrophobicContact CG-CB 3.83Å; W255-V290 HydrophobicContact CD2-CG2 4.34Å; W255-V290 HydrophobicContact CH2-CG2 4.09Å; W255-V290 HydrophobicContact CZ2-CG2 3.78Å; W255-V290 HydrophobicContact CZ3-CG2 4.47Å; W255-S293 WeakPolarHBondContact O-CB 3.39Å; W255-K300 PolarHBondContact O-NZ 3.43Å; W255-L304 HydrophobicContact CH2-CD1 4.46Å; W255-L304 HydrophobicContact CH2-CD2 4.04Å; W255-L304 HydrophobicContact CZ3-CD1 3.87Å; W255-L304 HydrophobicContact CZ3-CD2 3.92Å |
| 256 | R | 88.2 | Confident | 88 | Confident | 56 Ų | 56 | 36.2 Ų | 36.2 | 21% | 0.211 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.2 | -34.5 | -179.2 | -174.1 | 62.7 | 179.6 | 168.6 | 5.6 | 112.6 | L137 I252 S253 I254 I259 E292 | L137-R256 HydrophobicContact CB-CG 3.85Å; L137-R256 HydrophobicContact CD1-CG 4.37Å; I252-R256 WeakPolarHBondContact O-CB 3.18Å; I252-R256 PolarHBondContact O-N 3.19Å; S253-R256 PolarHBondContact O-N 2.8Å; I254-R256 VanDerWaalsContact C-N 3.31Å; I254-R256 PolarHBondContact O-N 2.67Å; R256-I259 WeakPolarHBondContact O-CG1 3.43Å; R256-E292 PolarHBondContact NH1-O 2.96Å |
| 257 | N | 90.4 | Very high | 88.3 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.037 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -89 | -8.3 | -177 | -76.5 | -86.6 | 0 | 0 | 0 | 114.4 | T136 L137 T221 R227 S253 I254 I259 | T136-N257 WeakPolarHBondContact CA-OD1 3.45Å; L137-N257 PolarHBondContact N-OD1 3.48Å; L137-N257 PolarHBondContact O-ND2 2.92Å; T221-N257 WeakPolarHBondContact O-CB 3.33Å; T221-N257 PolarHBondContact OG1-ND2 3.27Å; R227-N257 PolarHBondContact NE-O 2.79Å; R227-N257 PolarHBondContact NH1-O 2.88Å; R227-N257 VanDerWaalsContact NH1-O 3.14Å; R227-N257 PolarHBondContact NH2-O 2.7Å; S253-N257 WeakPolarHBondContact O-CB 3.42Å; S253-N257 PolarHBondContact O-N 3.06Å; S253-N257 PolarHBondContact O-ND2 3.04Å; I254-N257 PolarHBondContact O-N 2.97Å; N257-I259 PolarHBondContact O-N 3.14Å |
| 258 | S | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.189 | C | C | . | . | trans | -87.2 | 68.9 | 172.9 | -75 | 0 | 0 | 0 | 0 | 112.3 | I254 D265 K300 | I254-S258 PolarHBondContact O-N 3.47Å; I254-S258 PolarHBondContact O-OG 2.91Å; S258-D265 VanDerWaalsContact C-OD2 3.23Å; S258-D265 WeakPolarHBondContact CA-OD1 3.28Å; S258-D265 WeakPolarHBondContact CA-OD2 3.29Å; S258-D265 PolarHBondContact OG-OD1 3.39Å; S258-K300 PolarHBondContact O-NZ 2.73Å | ||
| 259 | I | 82.1 | Confident | 88.7 | Confident | 74 Ų | 74 | 40.8 Ų | 40.8 | 38% | 0.379 | 19% | 0.191 | S | C | . | . | trans | -89.5 | -39.9 | -168.7 | -47.4 | 167.5 | 0 | 0 | 0 | 112.5 | L137 R256 N257 F261 D265 | L137-I259 HydrophobicContact CD1-CD1 3.3Å; L137-I259 HydrophobicContact CD1-CG1 4.21Å; L137-I259 HydrophobicContact CG-CD1 4.18Å; R256-I259 WeakPolarHBondContact O-CG1 3.43Å; N257-I259 PolarHBondContact O-N 3.14Å; I259-F261 VanDerWaalsContact C-N 3.29Å; I259-F261 PolarHBondContact O-N 3.01Å; I259-D265 PolarHBondContact N-OD2 3.49Å; I259-D265 VanDerWaalsContact N-OD2 3.13Å | ||
| 260 | E | 76.2 | Confident | 88.9 | Confident | 148 Ų | 148 | 40.8 Ų | 40.8 | 69% | 0.692 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -76.3 | -12.5 | -159.4 | -66.4 | -175.4 | -179.8 | 0 | 0 | 114.1 | N262 D265 | E260-N262 HydrophobicContact CB-CB 4.28Å; E260-N262 PolarHBondContact O-N 3.48Å; E260-N262 PolarHBondContact OE2-ND2 3.33Å; E260-D265 PolarHBondContact N-OD2 3.46Å |
| 261 | F | 75.2 | Confident | 89 | Confident | 39 Ų | 39 | 43.1 Ų | 43.1 | 17% | 0.171 | 20% | 0.204 | C | C | . | . | trans | 50.7 | 17 | -173 | -88.7 | -88.6 | 0 | 0 | 0 | 115.3 | I259 Q266 I269 K300 A303 L304 | I259-F261 VanDerWaalsContact C-N 3.29Å; I259-F261 PolarHBondContact O-N 3.01Å; F261-Q266 PolarHBondContact O-NE2 2.98Å; F261-I269 HydrophobicContact CD1-CD1 4.29Å; F261-I269 HydrophobicContact CE1-CD1 3.6Å; F261-I269 HydrophobicContact CE2-CD1 3.97Å; F261-I269 HydrophobicContact CZ-CD1 3.38Å; F261-K300 HydrophobicContact CD2-CB 4Å; F261-K300 HydrophobicContact CD2-CG 4.35Å; F261-K300 VanDerWaalsContact CE2-CA 3.49Å; F261-K300 HydrophobicContact CE2-CB 3.2Å; F261-K300 HydrophobicContact CE2-CD 3.34Å; F261-K300 HydrophobicContact CE2-CG 3.16Å; F261-K300 HydrophobicContact CZ-CB 3.73Å; F261-K300 HydrophobicContact CZ-CD 3.78Å; F261-K300 HydrophobicContact CZ-CG 3.33Å; F261-A303 HydrophobicContact CD1-CB 4.09Å; F261-A303 HydrophobicContact CE1-CB 3.81Å; F261-L304 HydrophobicContact CZ-CG 4.28Å | ||
| 262 | N | 83.1 | Confident | 89.1 | Confident | 50 Ų | 50 | 43.1 Ų | 43.1 | 27% | 0.267 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -65.5 | 174.2 | 171.8 | 66.4 | 19.8 | 0 | 0 | 0 | 110.3 | E260 H264 D265 Q266 | E260-N262 HydrophobicContact CB-CB 4.28Å; E260-N262 PolarHBondContact O-N 3.48Å; E260-N262 PolarHBondContact OE2-ND2 3.33Å; N262-H264 PolarHBondContact O-N 2.89Å; N262-H264 VanDerWaalsContact O-N 3.14Å; N262-H264 VanDerWaalsContact OD1-CB 3.31Å; N262-H264 WeakPolarHBondContact OD1-CB 3.27Å; N262-H264 PolarHBondContact OD1-N 3.37Å; N262-H264 VanDerWaalsContact OD1-N 3.17Å; N262-D265 PolarHBondContact O-N 3.18Å; N262-D265 PolarHBondContact OD1-N 2.86Å; N262-Q266 WeakPolarHBondContact O-CB 3.45Å; N262-Q266 VanDerWaalsContact O-CG 3.27Å; N262-Q266 WeakPolarHBondContact O-CG 3.44Å; N262-Q266 PolarHBondContact O-N 3.37Å |
| 263 | Q | 85.4 | Confident | 89.1 | Confident | 161 Ų | 161 | 43 Ų | 43 | 75% | 0.752 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -55.4 | -35 | -179 | -175.2 | 177.5 | -6.2 | 0 | 0 | 112.7 | E267 | Q263-E267 PolarHBondContact O-N 2.84Å |
| 264 | H | 89.5 | Confident | 89.2 | Confident | 97 Ų | 97 | 50.2 Ų | 50.2 | 45% | 0.449 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.8 | -52.5 | 178.3 | -70.1 | -49.7 | 0 | 0 | 0 | 112.2 | F224 N262 Q266 E267 V268 | F224-H264 HydrophobicContact CD1-CB 4.33Å; F224-H264 AromaticContact CD1-ND1 3.94Å; F224-H264 HydrophobicContact CD2-CB 3.54Å; F224-H264 HydrophobicContact CE1-CB 4.2Å; F224-H264 AromaticContact CE1-CE1 3.83Å; F224-H264 AromaticContact CE1-CG 3.8Å; F224-H264 AromaticContact CE1-ND1 3.25Å; F224-H264 VanDerWaalsContact CE1-ND1 3.25Å; F224-H264 WeakPolarHBondContact CE1-ND1 3.23Å; F224-H264 HydrophobicContact CE2-CB 3.39Å; F224-H264 AromaticContact CE2-CG 3.9Å; F224-H264 AromaticContact CE2-ND1 3.84Å; F224-H264 WeakPolarHBondContact CE2-O 3.39Å; F224-H264 HydrophobicContact CG-CB 4Å; F224-H264 HydrophobicContact CZ-CB 3.72Å; F224-H264 AromaticContact CZ-CG 3.69Å; F224-H264 AromaticContact CZ-ND1 3.17Å; F224-H264 WeakPolarHBondContact CZ-ND1 3.36Å; N262-H264 PolarHBondContact O-N 2.89Å; N262-H264 VanDerWaalsContact O-N 3.14Å; N262-H264 VanDerWaalsContact OD1-CB 3.31Å; N262-H264 WeakPolarHBondContact OD1-CB 3.27Å; N262-H264 PolarHBondContact OD1-N 3.37Å; N262-H264 VanDerWaalsContact OD1-N 3.17Å; H264-Q266 VanDerWaalsContact C-N 3.31Å; H264-Q266 PolarHBondContact O-N 2.67Å; H264-E267 WeakPolarHBondContact O-CB 3.45Å; H264-E267 PolarHBondContact O-N 3.35Å; H264-V268 PolarHBondContact O-N 3.42Å |
| 265 | D | 89 | Confident | 89.2 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.3 | -30.4 | 178.8 | -81.2 | -21.5 | 0 | 0 | 0 | 112.2 | R227 S258 I259 E260 N262 E267 V268 I269 | R227-D265 IonicContact CZ-OD1 3.46Å; R227-D265 IonicContact NE-OD1 3.59Å; R227-D265 PolarHBondContact NE-OD1 3.29Å; R227-D265 IonicContact NH2-OD1 3.76Å; R227-D265 PolarHBondContact NH2-OD1 2.74Å; R227-D265 IonicContact NH2-OD2 3.96Å; S258-D265 VanDerWaalsContact C-OD2 3.23Å; S258-D265 WeakPolarHBondContact CA-OD1 3.28Å; S258-D265 WeakPolarHBondContact CA-OD2 3.29Å; S258-D265 PolarHBondContact OG-OD1 3.39Å; I259-D265 PolarHBondContact N-OD2 3.49Å; I259-D265 VanDerWaalsContact N-OD2 3.13Å; E260-D265 PolarHBondContact N-OD2 3.46Å; N262-D265 PolarHBondContact O-N 3.18Å; N262-D265 PolarHBondContact OD1-N 2.86Å; D265-E267 VanDerWaalsContact C-N 3.29Å; D265-E267 PolarHBondContact O-N 2.78Å; D265-V268 PolarHBondContact O-N 3.27Å; D265-I269 VanDerWaalsContact O-CB 3.3Å; D265-I269 WeakPolarHBondContact O-CB 3.47Å; D265-I269 WeakPolarHBondContact O-CD1 3.44Å; D265-I269 WeakPolarHBondContact O-CG1 3.46Å; D265-I269 PolarHBondContact O-N 2.79Å |
| 266 | Q | 89.6 | Confident | 89.1 | Confident | 117 Ų | 117 | 56.7 Ų | 56.7 | 55% | 0.547 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.9 | -37.7 | 172.4 | -74.2 | 175.8 | 14 | 0 | 0 | 112.3 | F261 N262 H264 G270 | F261-Q266 PolarHBondContact O-NE2 2.98Å; N262-Q266 WeakPolarHBondContact O-CB 3.45Å; N262-Q266 VanDerWaalsContact O-CG 3.27Å; N262-Q266 WeakPolarHBondContact O-CG 3.44Å; N262-Q266 PolarHBondContact O-N 3.37Å; H264-Q266 VanDerWaalsContact C-N 3.31Å; H264-Q266 PolarHBondContact O-N 2.67Å; Q266-G270 PolarHBondContact O-N 2.81Å |
| 267 | E | 93.1 | Very high | 89.2 | Confident | 89 Ų | 89 | 54.9 Ų | 54.9 | 42% | 0.416 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -66.7 | -47.8 | 175.8 | -170.1 | 178.6 | -179.8 | 0 | 0 | 111.3 | L228 Q263 H264 D265 I269 G270 H271 | L228-E267 HydrophobicContact CD1-CB 4.32Å; L228-E267 VanDerWaalsContact CD1-CD 3.49Å; L228-E267 HydrophobicContact CD1-CG 3.7Å; Q263-E267 PolarHBondContact O-N 2.84Å; H264-E267 WeakPolarHBondContact O-CB 3.45Å; H264-E267 PolarHBondContact O-N 3.35Å; D265-E267 VanDerWaalsContact C-N 3.29Å; D265-E267 PolarHBondContact O-N 2.78Å; E267-I269 PolarHBondContact O-N 3.18Å; E267-G270 WeakPolarHBondContact O-CA 3.33Å; E267-G270 PolarHBondContact O-N 3.1Å; E267-G270 VanDerWaalsContact O-N 3.14Å; E267-H271 PolarHBondContact O-CD2 3.34Å; E267-H271 VanDerWaalsContact O-CD2 3.23Å; E267-H271 PolarHBondContact O-N 3.08Å; E267-H271 VanDerWaalsContact O-N 3.08Å |
| 268 | V | 95.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.2 | -51.4 | 176.1 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | F224 R227 L228 I254 H264 D265 G270 H271 L272 | F224-V268 HydrophobicContact CD2-CG2 4.22Å; F224-V268 HydrophobicContact CE2-CG2 4.03Å; R227-V268 HydrophobicContact CB-CG1 4.17Å; R227-V268 HydrophobicContact CB-CG2 4.09Å; L228-V268 HydrophobicContact CB-CG2 4.22Å; L228-V268 HydrophobicContact CD1-CG2 4.36Å; I254-V268 HydrophobicContact CG2-CG1 3.55Å; H264-V268 PolarHBondContact O-N 3.42Å; D265-V268 PolarHBondContact O-N 3.27Å; V268-G270 VanDerWaalsContact C-N 3.26Å; V268-G270 PolarHBondContact O-N 3.04Å; V268-H271 WeakPolarHBondContact O-CB 3.29Å; V268-H271 PolarHBondContact O-N 2.97Å; V268-L272 HydrophobicContact CG1-CD1 4.31Å; V268-L272 WeakPolarHBondContact O-CG 3.3Å; V268-L272 PolarHBondContact O-N 3.02Å |
| 269 | I | 92.2 | Very high | 89 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 5% | 0.046 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -38.8 | 177.9 | -69.9 | 168.5 | 0 | 0 | 0 | 110.6 | W255 F261 D265 E267 H271 L272 C273 L304 | W255-I269 HydrophobicContact CH2-CG2 4.38Å; W255-I269 HydrophobicContact CZ3-CG1 4.44Å; W255-I269 HydrophobicContact CZ3-CG2 4.41Å; F261-I269 HydrophobicContact CD1-CD1 4.29Å; F261-I269 HydrophobicContact CE1-CD1 3.6Å; F261-I269 HydrophobicContact CE2-CD1 3.97Å; F261-I269 HydrophobicContact CZ-CD1 3.38Å; D265-I269 VanDerWaalsContact O-CB 3.3Å; D265-I269 WeakPolarHBondContact O-CB 3.47Å; D265-I269 WeakPolarHBondContact O-CD1 3.44Å; D265-I269 WeakPolarHBondContact O-CG1 3.46Å; D265-I269 PolarHBondContact O-N 2.79Å; E267-I269 PolarHBondContact O-N 3.18Å; I269-H271 VanDerWaalsContact C-N 3.26Å; I269-H271 PolarHBondContact O-N 2.81Å; I269-L272 PolarHBondContact O-N 3.4Å; I269-L272 VanDerWaalsContact O-N 3.14Å; I269-C273 WeakPolarHBondContact O-CB 3.39Å; I269-C273 PolarHBondContact O-N 3.02Å; I269-C273 PolarHBondContact O-SG 3.29Å; I269-L304 HydrophobicContact CG2-CD2 3.52Å |
| 270 | G | 91.7 | Very high | 89.3 | Confident | 7 Ų | 7 | 69.9 Ų | 69.9 | 7% | 0.072 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.9 | -34.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q266 E267 V268 R274 | Q266-G270 PolarHBondContact O-N 2.81Å; E267-G270 WeakPolarHBondContact O-CA 3.33Å; E267-G270 PolarHBondContact O-N 3.1Å; E267-G270 VanDerWaalsContact O-N 3.14Å; V268-G270 VanDerWaalsContact C-N 3.26Å; V268-G270 PolarHBondContact O-N 3.04Å; G270-R274 WeakPolarHBondContact O-CD 3.39Å; G270-R274 VanDerWaalsContact O-CG 3.32Å; G270-R274 WeakPolarHBondContact O-CG 3.22Å; G270-R274 PolarHBondContact O-NH1 3.24Å; G270-R274 VanDerWaalsContact O-NH1 3.1Å |
| 271 | H | 94.6 | Very high | 89.8 | Confident | 48 Ų | 48 | 63.4 Ų | 63.4 | 22% | 0.222 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -72.2 | -45.7 | 171 | -68 | -59.9 | 0 | 0 | 0 | 112 | Q232 E267 V268 I269 C273 R274 | Q232-H271 WeakPolarHBondContact CG-NE2 3.49Å; E267-H271 PolarHBondContact O-CD2 3.34Å; E267-H271 VanDerWaalsContact O-CD2 3.23Å; E267-H271 PolarHBondContact O-N 3.08Å; E267-H271 VanDerWaalsContact O-N 3.08Å; V268-H271 WeakPolarHBondContact O-CB 3.29Å; V268-H271 PolarHBondContact O-N 2.97Å; I269-H271 VanDerWaalsContact C-N 3.26Å; I269-H271 PolarHBondContact O-N 2.81Å; H271-C273 VanDerWaalsContact C-N 3.33Å; H271-C273 PolarHBondContact O-N 2.86Å; H271-R274 PolarHBondContact O-N 3.09Å |
| 272 | L | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -61.6 | -41 | -179.7 | -60.4 | 175.9 | 0 | 0 | 0 | 112.3 | L234 L251 I254 W255 V268 I269 R274 I275 | L234-L272 HydrophobicContact CD2-CD2 3.73Å; L251-L272 HydrophobicContact CD1-CD2 4.27Å; I254-L272 HydrophobicContact CG2-CD1 3.92Å; I254-L272 HydrophobicContact CG2-CD2 4.19Å; I254-L272 HydrophobicContact CG2-CG 4.48Å; W255-L272 HydrophobicContact CD2-CD1 3.62Å; W255-L272 HydrophobicContact CE3-CD1 4.12Å; W255-L272 HydrophobicContact CG-CD1 3.89Å; W255-L272 HydrophobicContact CH2-CB 4.15Å; W255-L272 HydrophobicContact CH2-CD1 4.45Å; W255-L272 HydrophobicContact CZ2-CB 3.48Å; W255-L272 VanDerWaalsContact CZ2-CB 3.48Å; W255-L272 HydrophobicContact CZ2-CD1 4.01Å; W255-L272 HydrophobicContact CZ2-CG 4.38Å; W255-L272 HydrophobicContact CZ3-CD1 4.5Å; V268-L272 HydrophobicContact CG1-CD1 4.31Å; V268-L272 WeakPolarHBondContact O-CG 3.3Å; V268-L272 PolarHBondContact O-N 3.02Å; I269-L272 PolarHBondContact O-N 3.4Å; I269-L272 VanDerWaalsContact O-N 3.14Å; L272-R274 PolarHBondContact O-N 3.49Å; L272-R274 VanDerWaalsContact O-N 3.16Å; L272-I275 HydrophobicContact CB-CD1 4.44Å; L272-I275 HydrophobicContact CD2-CD1 3.93Å; L272-I275 WeakPolarHBondContact O-CB 3.4Å; L272-I275 WeakPolarHBondContact O-CG1 3.46Å; L272-I275 PolarHBondContact O-N 2.86Å |
| 273 | C | 92.5 | Very high | 91 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.7 | 176.8 | -69.9 | 0 | 0 | 0 | 0 | 113.5 | I269 H271 F307 S320 H321 I324 | I269-C273 WeakPolarHBondContact O-CB 3.39Å; I269-C273 PolarHBondContact O-N 3.02Å; I269-C273 PolarHBondContact O-SG 3.29Å; H271-C273 VanDerWaalsContact C-N 3.33Å; H271-C273 PolarHBondContact O-N 2.86Å; C273-F307 HydrophobicContact CB-CD1 4.12Å; C273-F307 HydrophobicContact CB-CE1 3.48Å; C273-F307 VanDerWaalsContact CB-CE1 3.48Å; C273-F307 HydrophobicContact CB-CZ 4.23Å; C273-S320 WeakPolarHBondContact O-CB 3.24Å; C273-S320 PolarHBondContact O-OG 3.5Å; C273-H321 PolarHBondContact O-CD2 3.39Å; C273-H321 PolarHBondContact O-NE2 3.16Å; C273-H321 VanDerWaalsContact O-NE2 3.17Å; C273-I324 HydrophobicContact CB-CD1 4.33Å; C273-I324 VanDerWaalsContact SG-CD1 3.52Å |
| 274 | R | 91.5 | Very high | 91.2 | Very high | 152 Ų | 152 | 57.5 Ų | 57.5 | 57% | 0.574 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.3 | 0.7 | 176.7 | -67.2 | 175.8 | -172.4 | 123.6 | -7.9 | 113.6 | G270 H271 L272 R276 | G270-R274 WeakPolarHBondContact O-CD 3.39Å; G270-R274 VanDerWaalsContact O-CG 3.32Å; G270-R274 WeakPolarHBondContact O-CG 3.22Å; G270-R274 PolarHBondContact O-NH1 3.24Å; G270-R274 VanDerWaalsContact O-NH1 3.1Å; H271-R274 PolarHBondContact O-N 3.09Å; L272-R274 PolarHBondContact O-N 3.49Å; L272-R274 VanDerWaalsContact O-N 3.16Å; R274-R276 PolarHBondContact O-N 2.94Å |
| 275 | I | 94.1 | Very high | 91.3 | Very high | 2 Ų | 2 | 52.9 Ų | 52.9 | 1% | 0.01 | 24% | 0.241 | C | C | . | . | trans | -61.1 | 133.5 | 180 | -69 | 172.4 | 0 | 0 | 0 | 110.7 | L234 D235 L238 L251 L272 L277 S320 | L234-I275 HydrophobicContact CD2-CD1 3.97Å; L234-I275 HydrophobicContact CG-CD1 4.29Å; D235-I275 HydrophobicContact CB-CG1 4.32Å; L238-I275 HydrophobicContact CD1-CD1 4.02Å; L238-I275 HydrophobicContact CD1-CG2 3.62Å; L251-I275 HydrophobicContact CD1-CD1 4.09Å; L272-I275 HydrophobicContact CB-CD1 4.44Å; L272-I275 HydrophobicContact CD2-CD1 3.93Å; L272-I275 WeakPolarHBondContact O-CB 3.4Å; L272-I275 WeakPolarHBondContact O-CG1 3.46Å; L272-I275 PolarHBondContact O-N 2.86Å; I275-L277 HydrophobicContact CG2-CD2 3.85Å; I275-L277 HydrophobicContact CG2-CG 4.37Å; I275-L277 PolarHBondContact O-N 2.99Å; I275-S320 PolarHBondContact O-OG 3.48Å | ||
| 276 | R | 91.4 | Very high | 91.5 | Very high | 134 Ų | 134 | 52.9 Ų | 52.9 | 51% | 0.506 | 24% | 0.241 | S | C | . | . | trans | -89.1 | 104.6 | 177.7 | -69 | 174.7 | -68.8 | 171.5 | -1.3 | 110 | D235 Q239 R274 K278 | D235-R276 PolarHBondContact OD1-N 3.13Å; D235-R276 IonicContact OD1-NE 2.92Å; D235-R276 IonicContact OD2-CZ 2.86Å; D235-R276 IonicContact OD2-NE 3.7Å; D235-R276 PolarHBondContact OD2-NE 2.95Å; D235-R276 VanDerWaalsContact OD2-NE 3.13Å; D235-R276 IonicContact OD2-NH2 2.68Å; D235-R276 PolarHBondContact OD2-NH2 3.48Å; Q239-R276 VanDerWaalsContact NE2-NH2 3.14Å; R274-R276 PolarHBondContact O-N 2.94Å; R276-K278 PolarHBondContact O-N 3.1Å; R276-K278 VanDerWaalsContact O-N 3.16Å | ||
| 277 | L | 90.3 | Very high | 91.6 | Very high | 19 Ų | 19 | 48.5 Ų | 48.5 | 10% | 0.099 | 22% | 0.224 | C | C | . | . | trans | -86.5 | 88.7 | -177.1 | -61.5 | 171.7 | 0 | 0 | 0 | 110 | I275 F286 S319 N323 | I275-L277 HydrophobicContact CG2-CD2 3.85Å; I275-L277 HydrophobicContact CG2-CG 4.37Å; I275-L277 PolarHBondContact O-N 2.99Å; L277-F286 HydrophobicContact CD1-CB 3.99Å; L277-F286 HydrophobicContact CD1-CD1 3.65Å; L277-F286 HydrophobicContact CD1-CD2 4.17Å; L277-F286 HydrophobicContact CD1-CE1 4.12Å; L277-F286 HydrophobicContact CD1-CG 3.67Å; L277-F286 HydrophobicContact CD2-CB 3.75Å; L277-F286 HydrophobicContact CD2-CD2 3.97Å; L277-F286 HydrophobicContact CD2-CG 3.92Å; L277-F286 HydrophobicContact CG-CG 4.4Å; L277-S319 PolarHBondContact N-OG 3.06Å; L277-N323 HydrophobicContact CD1-CB 4.3Å; L277-N323 WeakPolarHBondContact CD1-ND2 3.41Å | ||
| 278 | K | 88 | Confident | 91.5 | Very high | 153 Ų | 153 | 45.3 Ų | 45.3 | 67% | 0.665 | 21% | 0.209 | S | C | * | . | trans | -90.2 | -32.5 | 178.8 | -66.1 | 178.3 | -179.9 | 166.2 | 0 | 113.5 | R276 | R276-K278 PolarHBondContact O-N 3.1Å; R276-K278 VanDerWaalsContact O-N 3.16Å | ||
| 279 | S | 88.6 | Confident | 91.4 | Very high | 50 Ų | 50 | 45.3 Ų | 45.3 | 35% | 0.35 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -92.8 | 132.7 | -177.8 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | A281 F282 T283 | S279-A281 PolarHBondContact O-N 3.31Å; S279-A281 PolarHBondContact OG-N 3.44Å; S279-F282 PolarHBondContact O-N 2.9Å; S279-T283 PolarHBondContact O-N 3.3Å; S279-T283 PolarHBondContact O-OG1 3.25Å |
| 280 | K | 89.3 | Confident | 91.4 | Very high | 192 Ų | 192 | 44.9 Ų | 44.9 | 84% | 0.835 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -55.4 | -40.5 | 175.4 | -174.4 | -179 | 177.8 | -174 | 0 | 111.8 | T283 H284 | K280-T283 WeakPolarHBondContact O-CB 3.34Å; K280-T283 PolarHBondContact O-N 3.22Å; K280-H284 PolarHBondContact O-N 3.38Å; K280-H284 VanDerWaalsContact O-N 3.12Å |
| 281 | A | 87.4 | Confident | 91.3 | Very high | 12 Ų | 12 | 48.3 Ų | 48.3 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -55.6 | -59.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | E151 T154 S279 T283 H284 V285 | E151-A281 VanDerWaalsContact OE1-CA 3.23Å; E151-A281 WeakPolarHBondContact OE1-CA 3.27Å; E151-A281 VanDerWaalsContact OE1-O 3.12Å; E151-A281 WeakPolarHBondContact OE2-CB 3.15Å; T154-A281 HydrophobicContact CG2-CB 3.96Å; S279-A281 PolarHBondContact O-N 3.31Å; S279-A281 PolarHBondContact OG-N 3.44Å; A281-T283 VanDerWaalsContact C-N 3.27Å; A281-T283 PolarHBondContact O-N 2.9Å; A281-H284 WeakPolarHBondContact O-CA 3.25Å; A281-H284 WeakPolarHBondContact O-CB 3.32Å; A281-H284 PolarHBondContact O-N 3.2Å; A281-V285 PolarHBondContact O-N 3.34Å |
| 282 | F | 90.3 | Very high | 90.8 | Very high | 20 Ų | 20 | 46.3 Ų | 46.3 | 9% | 0.088 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.9 | -27.3 | -179.5 | -70.1 | -53.2 | 0 | 0 | 0 | 113.8 | F155 L238 P244 A248 S279 H284 F286 | F155-F282 HydrophobicContact CE1-CE1 4.29Å; L238-F282 HydrophobicContact CD2-CB 4.44Å; L238-F282 HydrophobicContact CD2-CD1 3.4Å; L238-F282 HydrophobicContact CD2-CD2 4.28Å; L238-F282 HydrophobicContact CD2-CE1 3.52Å; L238-F282 HydrophobicContact CD2-CE2 4.39Å; L238-F282 HydrophobicContact CD2-CG 3.81Å; L238-F282 HydrophobicContact CD2-CZ 4.03Å; L238-F282 WeakPolarHBondContact O-CD2 3.43Å; L238-F282 WeakPolarHBondContact O-CE2 3.35Å; P244-F282 HydrophobicContact CB-CE1 4.32Å; P244-F282 HydrophobicContact CB-CE2 4.48Å; P244-F282 HydrophobicContact CB-CZ 3.64Å; A248-F282 HydrophobicContact CB-CE1 4.32Å; S279-F282 PolarHBondContact O-N 2.9Å; F282-H284 VanDerWaalsContact C-N 3.32Å; F282-F286 WeakPolarHBondContact O-CB 3.4Å; F282-F286 PolarHBondContact O-N 2.67Å |
| 283 | T | 92.2 | Very high | 90.5 | Very high | 31 Ų | 31 | 46.7 Ų | 46.7 | 19% | 0.19 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 170 | -57.7 | 0 | 0 | 0 | 0 | 111.6 | S279 K280 A281 S287 N323 | S279-T283 PolarHBondContact O-N 3.3Å; S279-T283 PolarHBondContact O-OG1 3.25Å; K280-T283 WeakPolarHBondContact O-CB 3.34Å; K280-T283 PolarHBondContact O-N 3.22Å; A281-T283 VanDerWaalsContact C-N 3.27Å; A281-T283 PolarHBondContact O-N 2.9Å; T283-S287 WeakPolarHBondContact O-CB 3.45Å; T283-S287 PolarHBondContact O-N 3.11Å; T283-S287 PolarHBondContact O-OG 2.89Å; T283-N323 VanDerWaalsContact CG2-OD1 3.31Å; T283-N323 WeakPolarHBondContact CG2-OD1 3.32Å |
| 284 | H | 90.6 | Very high | 90 | Very high | 76 Ų | 76 | 46.8 Ų | 46.8 | 35% | 0.352 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67 | -48.4 | 176.3 | -179.7 | -106.8 | 0 | 0 | 0 | 111.5 | E151 K280 A281 F282 F286 S287 L288 | E151-H284 IonicContact OE1-ND1 3.88Å; K280-H284 PolarHBondContact O-N 3.38Å; K280-H284 VanDerWaalsContact O-N 3.12Å; A281-H284 WeakPolarHBondContact O-CA 3.25Å; A281-H284 WeakPolarHBondContact O-CB 3.32Å; A281-H284 PolarHBondContact O-N 3.2Å; F282-H284 VanDerWaalsContact C-N 3.32Å; H284-F286 VanDerWaalsContact C-N 3.3Å; H284-F286 PolarHBondContact O-N 3.24Å; H284-S287 WeakPolarHBondContact O-CB 3.41Å; H284-S287 PolarHBondContact O-N 3.13Å; H284-S287 VanDerWaalsContact O-N 3.11Å; H284-L288 PolarHBondContact O-N 2.71Å |
| 285 | V | 90.3 | Very high | 89.2 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.7 | -42.8 | 174.8 | 179.2 | 0 | 0 | 0 | 0 | 111.7 | L147 F155 A248 L251 I252 A281 S287 L288 A289 | L147-V285 HydrophobicContact CD1-CG1 4.41Å; L147-V285 HydrophobicContact CD1-CG2 3.59Å; F155-V285 HydrophobicContact CE2-CG2 3.97Å; F155-V285 HydrophobicContact CZ-CG2 3.7Å; A248-V285 HydrophobicContact CB-CB 4.45Å; A248-V285 HydrophobicContact CB-CG1 3.67Å; A248-V285 HydrophobicContact CB-CG2 4.07Å; L251-V285 HydrophobicContact CD2-CG1 4.01Å; I252-V285 HydrophobicContact CD1-CG1 4.14Å; I252-V285 HydrophobicContact CG1-CG1 4.05Å; A281-V285 PolarHBondContact O-N 3.34Å; V285-S287 VanDerWaalsContact C-N 3.33Å; V285-S287 PolarHBondContact O-N 3.17Å; V285-L288 WeakPolarHBondContact O-CB 3.39Å; V285-L288 PolarHBondContact O-N 3.2Å; V285-A289 WeakPolarHBondContact O-CB 3.49Å; V285-A289 PolarHBondContact O-N 3.43Å |
| 286 | F | 93.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.6 | -43.5 | 176.8 | -178.1 | -85.2 | 0 | 0 | 0 | 111.4 | L251 W255 L277 F282 H284 L288 A289 V290 N323 I324 | L251-F286 HydrophobicContact CD1-CD2 4.33Å; L251-F286 HydrophobicContact CD2-CB 4.18Å; L251-F286 HydrophobicContact CD2-CD2 4.34Å; W255-F286 AromaticContact CZ2-CE2 3.9Å; W255-F286 HydrophobicContact CZ2-CE2 3.9Å; W255-F286 AromaticContact CZ2-CZ 3.8Å; W255-F286 HydrophobicContact CZ2-CZ 3.8Å; W255-F286 AromaticContact NE1-CE2 3.83Å; L277-F286 HydrophobicContact CD1-CB 3.99Å; L277-F286 HydrophobicContact CD1-CD1 3.65Å; L277-F286 HydrophobicContact CD1-CD2 4.17Å; L277-F286 HydrophobicContact CD1-CE1 4.12Å; L277-F286 HydrophobicContact CD1-CG 3.67Å; L277-F286 HydrophobicContact CD2-CB 3.75Å; L277-F286 HydrophobicContact CD2-CD2 3.97Å; L277-F286 HydrophobicContact CD2-CG 3.92Å; L277-F286 HydrophobicContact CG-CG 4.4Å; F282-F286 WeakPolarHBondContact O-CB 3.4Å; F282-F286 PolarHBondContact O-N 2.67Å; H284-F286 VanDerWaalsContact C-N 3.3Å; H284-F286 PolarHBondContact O-N 3.24Å; F286-L288 VanDerWaalsContact C-N 3.29Å; F286-L288 PolarHBondContact O-N 3.13Å; F286-A289 PolarHBondContact O-N 2.94Å; F286-V290 HydrophobicContact CD1-CG2 3.92Å; F286-V290 HydrophobicContact CE1-CG2 3.55Å; F286-V290 HydrophobicContact CZ-CG2 3.95Å; F286-V290 WeakPolarHBondContact O-CG2 3.25Å; F286-V290 PolarHBondContact O-N 3.18Å; F286-N323 HydrophobicContact CD1-CB 4.31Å; F286-N323 HydrophobicContact CE1-CB 4.35Å; F286-I324 HydrophobicContact CE1-CD1 4.44Å; F286-I324 HydrophobicContact CE1-CG1 3.84Å; F286-I324 HydrophobicContact CZ-CD1 4.21Å; F286-I324 HydrophobicContact CZ-CG1 4.1Å |
| 287 | S | 92.7 | Very high | 87.4 | Confident | 25 Ų | 25 | 41.9 Ų | 41.9 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.7 | -40.9 | 178 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | T283 H284 V285 K291 | T283-S287 WeakPolarHBondContact O-CB 3.45Å; T283-S287 PolarHBondContact O-N 3.11Å; T283-S287 PolarHBondContact O-OG 2.89Å; H284-S287 WeakPolarHBondContact O-CB 3.41Å; H284-S287 PolarHBondContact O-N 3.13Å; H284-S287 VanDerWaalsContact O-N 3.11Å; V285-S287 VanDerWaalsContact C-N 3.33Å; V285-S287 PolarHBondContact O-N 3.17Å; S287-K291 WeakPolarHBondContact O-CB 3.46Å; S287-K291 PolarHBondContact O-N 3.17Å |
| 288 | L | 90.7 | Very high | 87 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.8 | -45.8 | 174.4 | -176.9 | 65.9 | 0 | 0 | 0 | 112.1 | A143 A146 I252 H284 V285 F286 V290 K291 E292 | A143-L288 HydrophobicContact CB-CD1 3.97Å; A143-L288 HydrophobicContact CB-CD2 3.91Å; A143-L288 HydrophobicContact CB-CG 3.91Å; A143-L288 WeakPolarHBondContact O-CD2 3.39Å; A146-L288 HydrophobicContact CB-CD1 4.32Å; A146-L288 HydrophobicContact CB-CD2 4.1Å; I252-L288 HydrophobicContact CD1-CD2 4.22Å; H284-L288 PolarHBondContact O-N 2.71Å; V285-L288 WeakPolarHBondContact O-CB 3.39Å; V285-L288 PolarHBondContact O-N 3.2Å; F286-L288 VanDerWaalsContact C-N 3.29Å; F286-L288 PolarHBondContact O-N 3.13Å; L288-V290 VanDerWaalsContact C-N 3.34Å; L288-V290 PolarHBondContact O-N 3.25Å; L288-K291 PolarHBondContact O-N 2.91Å; L288-E292 WeakPolarHBondContact O-CB 3.41Å; L288-E292 WeakPolarHBondContact O-CG 3.46Å; L288-E292 PolarHBondContact O-N 2.79Å |
| 289 | A | 92 | Very high | 86.7 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.3 | -42 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L251 I252 W255 V285 F286 S293 | L251-A289 HydrophobicContact CG-CB 4.29Å; I252-A289 HydrophobicContact CB-CB 4.31Å; I252-A289 HydrophobicContact CG1-CB 3.94Å; W255-A289 HydrophobicContact CB-CB 3.97Å; W255-A289 VanDerWaalsContact CD1-CB 3.42Å; W255-A289 HydrophobicContact CG-CB 3.83Å; V285-A289 WeakPolarHBondContact O-CB 3.49Å; V285-A289 PolarHBondContact O-N 3.43Å; F286-A289 PolarHBondContact O-N 2.94Å; A289-S293 WeakPolarHBondContact O-CB 3.29Å; A289-S293 PolarHBondContact O-N 2.77Å; A289-S293 VanDerWaalsContact O-N 3.08Å |
| 290 | V | 92.3 | Very high | 86.5 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.9 | -47.5 | 175.2 | 171.6 | 0 | 0 | 0 | 0 | 110.4 | W255 F286 L288 E292 S293 F294 I324 V327 | W255-V290 HydrophobicContact CD2-CG2 4.34Å; W255-V290 HydrophobicContact CH2-CG2 4.09Å; W255-V290 HydrophobicContact CZ2-CG2 3.78Å; W255-V290 HydrophobicContact CZ3-CG2 4.47Å; F286-V290 HydrophobicContact CD1-CG2 3.92Å; F286-V290 HydrophobicContact CE1-CG2 3.55Å; F286-V290 HydrophobicContact CZ-CG2 3.95Å; F286-V290 WeakPolarHBondContact O-CG2 3.25Å; F286-V290 PolarHBondContact O-N 3.18Å; L288-V290 VanDerWaalsContact C-N 3.34Å; L288-V290 PolarHBondContact O-N 3.25Å; V290-E292 PolarHBondContact O-N 2.76Å; V290-S293 WeakPolarHBondContact O-CB 3.47Å; V290-S293 PolarHBondContact O-N 3.42Å; V290-S293 VanDerWaalsContact O-N 3.14Å; V290-S293 PolarHBondContact O-OG 2.86Å; V290-F294 HydrophobicContact CG1-CD1 4.29Å; V290-F294 HydrophobicContact CG1-CE1 3.93Å; V290-F294 WeakPolarHBondContact O-CD1 3.18Å; V290-F294 WeakPolarHBondContact O-CE1 3.3Å; V290-I324 HydrophobicContact CG1-CG1 4.44Å; V290-I324 HydrophobicContact CG2-CG1 4.11Å; V290-V327 HydrophobicContact CB-CG1 4.35Å; V290-V327 HydrophobicContact CG1-CB 4.22Å; V290-V327 HydrophobicContact CG1-CG1 3.96Å |
| 291 | K | 89.8 | Confident | 86.4 | Confident | 79 Ų | 79 | 26.4 Ų | 26.4 | 34% | 0.343 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -55.9 | -53.5 | 176.5 | 179.9 | 178.4 | 173.8 | 167.3 | 0 | 111.6 | S287 L288 S293 F294 L295 V327 N331 | S287-K291 WeakPolarHBondContact O-CB 3.46Å; S287-K291 PolarHBondContact O-N 3.17Å; L288-K291 PolarHBondContact O-N 2.91Å; K291-S293 PolarHBondContact O-N 3.28Å; K291-S293 VanDerWaalsContact O-N 3.14Å; K291-F294 HydrophobicContact CB-CZ 4.3Å; K291-F294 HydrophobicContact CG-CE2 4.46Å; K291-F294 HydrophobicContact CG-CZ 4.35Å; K291-F294 PolarHBondContact O-N 3.01Å; K291-L295 HydrophobicContact CG-CD1 4.35Å; K291-L295 HydrophobicContact CG-CG 4.44Å; K291-L295 WeakPolarHBondContact O-CG 3.11Å; K291-L295 PolarHBondContact O-N 3.45Å; K291-V327 HydrophobicContact CB-CG1 3.91Å; K291-N331 WeakPolarHBondContact CD-OD1 3.45Å; K291-N331 WeakPolarHBondContact CE-OD1 3.48Å; K291-N331 PolarHBondContact NZ-OD1 3.47Å |
| 292 | E | 85.5 | Confident | 86.4 | Confident | 5 Ų | 5 | 30 Ų | 30 | 2% | 0.023 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55.2 | -32.6 | 178 | -79.3 | -69.2 | 121.5 | 0 | 0 | 113.2 | S140 A143 R256 L288 V290 F294 | S140-E292 WeakPolarHBondContact CB-OE2 3.22Å; S140-E292 PolarHBondContact N-OE2 2.58Å; S140-E292 PolarHBondContact OG-OE1 3.4Å; S140-E292 PolarHBondContact OG-OE2 2.89Å; A143-E292 VanDerWaalsContact CB-CD 3.46Å; A143-E292 HydrophobicContact CB-CG 3.46Å; A143-E292 VanDerWaalsContact CB-CG 3.46Å; R256-E292 PolarHBondContact NH1-O 2.96Å; L288-E292 WeakPolarHBondContact O-CB 3.41Å; L288-E292 WeakPolarHBondContact O-CG 3.46Å; L288-E292 PolarHBondContact O-N 2.79Å; V290-E292 PolarHBondContact O-N 2.76Å; E292-F294 VanDerWaalsContact C-N 3.35Å; E292-F294 PolarHBondContact O-N 3.15Å |
| 293 | S | 87 | Confident | 86.2 | Confident | 9 Ų | 9 | 31 Ų | 31 | 6% | 0.063 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -68.1 | -33.2 | -175.3 | 83.6 | 0 | 0 | 0 | 0 | 113.1 | W255 A289 V290 K291 K300 | W255-S293 WeakPolarHBondContact O-CB 3.39Å; A289-S293 WeakPolarHBondContact O-CB 3.29Å; A289-S293 PolarHBondContact O-N 2.77Å; A289-S293 VanDerWaalsContact O-N 3.08Å; V290-S293 WeakPolarHBondContact O-CB 3.47Å; V290-S293 PolarHBondContact O-N 3.42Å; V290-S293 VanDerWaalsContact O-N 3.14Å; V290-S293 PolarHBondContact O-OG 2.86Å; K291-S293 PolarHBondContact O-N 3.28Å; K291-S293 VanDerWaalsContact O-N 3.14Å; S293-K300 VanDerWaalsContact O-CD 3.23Å; S293-K300 WeakPolarHBondContact O-CD 3.3Å; S293-K300 WeakPolarHBondContact OG-CD 3.47Å; S293-K300 WeakPolarHBondContact OG-CE 3.41Å |
| 294 | F | 82.8 | Confident | 86 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 0% | 0.004 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -106.6 | -1.6 | -175.6 | 61 | -116.4 | 0 | 0 | 0 | 114.5 | V290 K291 E292 A296 D297 K300 A301 V327 N331 L335 | V290-F294 HydrophobicContact CG1-CD1 4.29Å; V290-F294 HydrophobicContact CG1-CE1 3.93Å; V290-F294 WeakPolarHBondContact O-CD1 3.18Å; V290-F294 WeakPolarHBondContact O-CE1 3.3Å; K291-F294 HydrophobicContact CB-CZ 4.3Å; K291-F294 HydrophobicContact CG-CE2 4.46Å; K291-F294 HydrophobicContact CG-CZ 4.35Å; K291-F294 PolarHBondContact O-N 3.01Å; E292-F294 VanDerWaalsContact C-N 3.35Å; E292-F294 PolarHBondContact O-N 3.15Å; F294-A296 PolarHBondContact O-N 3.05Å; F294-D297 WeakPolarHBondContact CA-O 3.42Å; F294-D297 CarbonylContact O-C 3.53Å; F294-D297 VanDerWaalsContact O-C 3.3Å; F294-D297 PolarHBondContact O-N 3.15Å; F294-D297 VanDerWaalsContact O-O 3.13Å; F294-K300 HydrophobicContact CB-CB 4.2Å; F294-K300 HydrophobicContact CB-CG 4.05Å; F294-A301 HydrophobicContact CB-CB 3.84Å; F294-A301 HydrophobicContact CD1-CB 4.09Å; F294-A301 HydrophobicContact CD2-CB 4.36Å; F294-A301 HydrophobicContact CG-CB 3.87Å; F294-V327 HydrophobicContact CE1-CG1 3.81Å; F294-V327 HydrophobicContact CZ-CG1 3.81Å; F294-N331 HydrophobicContact CE2-CB 4.05Å; F294-N331 HydrophobicContact CZ-CB 4.09Å; F294-L335 HydrophobicContact CD2-CD2 3.56Å; F294-L335 HydrophobicContact CD2-CG 4.44Å; F294-L335 HydrophobicContact CE2-CD1 4.39Å; F294-L335 HydrophobicContact CE2-CD2 3.86Å; F294-L335 HydrophobicContact CE2-CG 4.26Å; F294-L335 HydrophobicContact CG-CD2 4.27Å |
| 295 | L | 74.1 | Confident | 86 | Confident | 58 Ų | 58 | 28.1 Ų | 28.1 | 30% | 0.304 | 17% | 0.173 | S | C | . | . | S | Bend | trans | -64.5 | -23.4 | 176 | -76.5 | 175.7 | 0 | 0 | 0 | 113.1 | K291 V334 | K291-L295 HydrophobicContact CG-CD1 4.35Å; K291-L295 HydrophobicContact CG-CG 4.44Å; K291-L295 WeakPolarHBondContact O-CG 3.11Å; K291-L295 PolarHBondContact O-N 3.45Å; L295-V334 HydrophobicContact CD2-CG1 4.13Å |
| 296 | A | 71.2 | Confident | 85.9 | Confident | 69 Ų | 69 | 30.5 Ų | 30.5 | 57% | 0.57 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -92.5 | -23.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | F294 | F294-A296 PolarHBondContact O-N 3.05Š|
| 297 | D | 77.5 | Confident | 85.7 | Confident | 59 Ų | 59 | 33.7 Ų | 33.7 | 32% | 0.316 | 20% | 0.204 | S | C | . | . | trans | -152.2 | 112.1 | -178.8 | -179.8 | -1.2 | 0 | 0 | 0 | 109.5 | F294 S299 K300 | F294-D297 WeakPolarHBondContact CA-O 3.42Å; F294-D297 CarbonylContact O-C 3.53Å; F294-D297 VanDerWaalsContact O-C 3.3Å; F294-D297 PolarHBondContact O-N 3.15Å; F294-D297 VanDerWaalsContact O-O 3.13Å; D297-S299 VanDerWaalsContact C-N 3.28Å; D297-S299 PolarHBondContact O-N 2.87Å; D297-S299 WeakPolarHBondContact OD1-CB 3.49Å; D297-S299 PolarHBondContact OD1-N 3.47Å; D297-S299 PolarHBondContact OD1-OG 3.21Å; D297-S299 PolarHBondContact OD2-OG 3.16Å; D297-K300 WeakPolarHBondContact O-CB 3.31Å | ||
| 298 | T | 81.7 | Confident | 85.6 | Confident | 19 Ų | 19 | 32.5 Ų | 32.5 | 12% | 0.117 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -73.9 | -17.2 | 179.9 | 56 | 0 | 0 | 0 | 0 | 113.7 | K300 A301 T302 L335 Q338 | T298-K300 PolarHBondContact O-N 3.31Å; T298-A301 WeakPolarHBondContact O-CB 3.45Å; T298-A301 PolarHBondContact O-N 3.33Å; T298-T302 PolarHBondContact O-N 2.85Å; T298-L335 HydrophobicContact CG2-CD2 3.72Å; T298-Q338 HydrophobicContact CG2-CB 3.6Å; T298-Q338 HydrophobicContact CG2-CG 4.25Å |
| 299 | S | 82.5 | Confident | 85.6 | Confident | 63 Ų | 63 | 35.3 Ų | 35.3 | 44% | 0.441 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.2 | -37.5 | 176.8 | 78.7 | 0 | 0 | 0 | 0 | 110.7 | D297 A301 T302 A303 | D297-S299 VanDerWaalsContact C-N 3.28Å; D297-S299 PolarHBondContact O-N 2.87Å; D297-S299 WeakPolarHBondContact OD1-CB 3.49Å; D297-S299 PolarHBondContact OD1-N 3.47Å; D297-S299 PolarHBondContact OD1-OG 3.21Å; D297-S299 PolarHBondContact OD2-OG 3.16Å; S299-A301 VanDerWaalsContact C-N 3.34Å; S299-A301 PolarHBondContact O-N 3.47Å; S299-T302 PolarHBondContact O-N 3.24Å; S299-A303 PolarHBondContact O-N 3.06Å; S299-A303 VanDerWaalsContact O-N 3.07Å |
| 300 | K | 83.8 | Confident | 85.5 | Confident | 3 Ų | 3 | 44.7 Ų | 44.7 | 1% | 0.013 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -52.8 | -47.6 | 170 | 170.9 | 156.4 | -139.9 | 171 | 0 | 112.4 | W255 S258 F261 S293 F294 D297 T298 T302 A303 L304 | W255-K300 PolarHBondContact O-NZ 3.43Å; S258-K300 PolarHBondContact O-NZ 2.73Å; F261-K300 HydrophobicContact CD2-CB 4Å; F261-K300 HydrophobicContact CD2-CG 4.35Å; F261-K300 VanDerWaalsContact CE2-CA 3.49Å; F261-K300 HydrophobicContact CE2-CB 3.2Å; F261-K300 HydrophobicContact CE2-CD 3.34Å; F261-K300 HydrophobicContact CE2-CG 3.16Å; F261-K300 HydrophobicContact CZ-CB 3.73Å; F261-K300 HydrophobicContact CZ-CD 3.78Å; F261-K300 HydrophobicContact CZ-CG 3.33Å; S293-K300 VanDerWaalsContact O-CD 3.23Å; S293-K300 WeakPolarHBondContact O-CD 3.3Å; S293-K300 WeakPolarHBondContact OG-CD 3.47Å; S293-K300 WeakPolarHBondContact OG-CE 3.41Å; F294-K300 HydrophobicContact CB-CB 4.2Å; F294-K300 HydrophobicContact CB-CG 4.05Å; D297-K300 WeakPolarHBondContact O-CB 3.31Å; T298-K300 PolarHBondContact O-N 3.31Å; K300-T302 VanDerWaalsContact C-N 3.33Å; K300-T302 PolarHBondContact O-N 2.66Å; K300-A303 PolarHBondContact O-N 3.14Å; K300-L304 HydrophobicContact CD-CD1 4.37Å; K300-L304 HydrophobicContact CG-CD1 3.71Å; K300-L304 HydrophobicContact CG-CG 4.25Å; K300-L304 WeakPolarHBondContact O-CB 3.4Å; K300-L304 VanDerWaalsContact O-CG 3.26Å; K300-L304 WeakPolarHBondContact O-CG 3.49Å; K300-L304 PolarHBondContact O-N 3.31Å |
| 301 | A | 87.1 | Confident | 85.4 | Confident | 3 Ų | 3 | 46 Ų | 46 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.1 | -42.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | F294 T298 S299 L304 L305 L335 | F294-A301 HydrophobicContact CB-CB 3.84Å; F294-A301 HydrophobicContact CD1-CB 4.09Å; F294-A301 HydrophobicContact CD2-CB 4.36Å; F294-A301 HydrophobicContact CG-CB 3.87Å; T298-A301 WeakPolarHBondContact O-CB 3.45Å; T298-A301 PolarHBondContact O-N 3.33Å; S299-A301 VanDerWaalsContact C-N 3.34Å; S299-A301 PolarHBondContact O-N 3.47Å; A301-L304 PolarHBondContact O-N 3.47Å; A301-L305 VanDerWaalsContact O-CB 3.27Å; A301-L305 WeakPolarHBondContact O-CB 3.37Å; A301-L305 PolarHBondContact O-N 2.86Å; A301-L335 HydrophobicContact CB-CD1 3.77Å; A301-L335 HydrophobicContact CB-CD2 3.49Å; A301-L335 VanDerWaalsContact CB-CD2 3.49Å; A301-L335 HydrophobicContact CB-CG 4.28Å |
| 302 | T | 86.4 | Confident | 85.4 | Confident | 88 Ų | 88 | 44 Ų | 44 | 54% | 0.54 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -64.1 | -43 | 178.1 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | T298 S299 K300 S306 | T298-T302 PolarHBondContact O-N 2.85Å; S299-T302 PolarHBondContact O-N 3.24Å; K300-T302 VanDerWaalsContact C-N 3.33Å; K300-T302 PolarHBondContact O-N 2.66Å; T302-S306 WeakPolarHBondContact O-CB 3.31Å; T302-S306 PolarHBondContact O-N 3.09Å; T302-S306 PolarHBondContact O-OG 3.05Å |
| 303 | A | 86.4 | Confident | 85.4 | Confident | 40 Ų | 40 | 51.6 Ų | 51.6 | 33% | 0.331 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F261 S299 K300 S306 F307 | F261-A303 HydrophobicContact CD1-CB 4.09Å; F261-A303 HydrophobicContact CE1-CB 3.81Å; S299-A303 PolarHBondContact O-N 3.06Å; S299-A303 VanDerWaalsContact O-N 3.07Å; K300-A303 PolarHBondContact O-N 3.14Å; A303-S306 PolarHBondContact O-N 3.25Å; A303-F307 WeakPolarHBondContact O-CB 3.45Å; A303-F307 PolarHBondContact O-N 3.5Å |
| 304 | L | 88.9 | Confident | 85.5 | Confident | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64 | -43.8 | 177.5 | -72.8 | 175.2 | 0 | 0 | 0 | 112.2 | W255 F261 I269 K300 A301 F307 A308 I324 | W255-L304 HydrophobicContact CH2-CD1 4.46Å; W255-L304 HydrophobicContact CH2-CD2 4.04Å; W255-L304 HydrophobicContact CZ3-CD1 3.87Å; W255-L304 HydrophobicContact CZ3-CD2 3.92Å; F261-L304 HydrophobicContact CZ-CG 4.28Å; I269-L304 HydrophobicContact CG2-CD2 3.52Å; K300-L304 HydrophobicContact CD-CD1 4.37Å; K300-L304 HydrophobicContact CG-CD1 3.71Å; K300-L304 HydrophobicContact CG-CG 4.25Å; K300-L304 WeakPolarHBondContact O-CB 3.4Å; K300-L304 VanDerWaalsContact O-CG 3.26Å; K300-L304 WeakPolarHBondContact O-CG 3.49Å; K300-L304 PolarHBondContact O-N 3.31Å; A301-L304 PolarHBondContact O-N 3.47Å; L304-F307 PolarHBondContact O-N 3.25Å; L304-A308 VanDerWaalsContact O-CB 3.29Å; L304-A308 WeakPolarHBondContact O-CB 3.31Å; L304-A308 PolarHBondContact O-N 3.34Å; L304-I324 HydrophobicContact CB-CG2 3.97Å |
| 305 | L | 89.4 | Confident | 85.6 | Confident | 45 Ų | 45 | 59.1 Ų | 59.1 | 24% | 0.236 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 176.8 | -177.3 | 62 | 0 | 0 | 0 | 110.7 | A301 F307 A308 L309 I325 C328 F329 | A301-L305 VanDerWaalsContact O-CB 3.27Å; A301-L305 WeakPolarHBondContact O-CB 3.37Å; A301-L305 PolarHBondContact O-N 2.86Å; L305-F307 PolarHBondContact O-N 2.66Å; L305-A308 PolarHBondContact O-N 3.33Å; L305-L309 HydrophobicContact CD1-CD1 3.96Å; L305-L309 HydrophobicContact CD1-CG 4.13Å; L305-L309 HydrophobicContact CG-CD1 3.87Å; L305-L309 HydrophobicContact CG-CG 4.43Å; L305-L309 WeakPolarHBondContact O-CB 3.49Å; L305-L309 VanDerWaalsContact O-CG 3.27Å; L305-L309 WeakPolarHBondContact O-CG 3.42Å; L305-L309 PolarHBondContact O-N 3.38Å; L305-I325 HydrophobicContact CD1-CB 4.43Å; L305-I325 HydrophobicContact CD1-CG1 4.09Å; L305-I325 HydrophobicContact CD1-CG2 4.35Å; L305-C328 HydrophobicContact CD1-CB 4.25Å; L305-F329 HydrophobicContact CD1-CE2 4.41Å |
| 306 | S | 88.4 | Confident | 86.2 | Confident | 51 Ų | 51 | 61.5 Ų | 61.5 | 36% | 0.357 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.3 | -44.6 | 175.9 | -63.3 | 0 | 0 | 0 | 0 | 111.9 | T302 A303 R310 | T302-S306 WeakPolarHBondContact O-CB 3.31Å; T302-S306 PolarHBondContact O-N 3.09Å; T302-S306 PolarHBondContact O-OG 3.05Å; A303-S306 PolarHBondContact O-N 3.25Å; S306-R310 WeakPolarHBondContact O-CB 3.5Å; S306-R310 WeakPolarHBondContact O-CG 3.37Å; S306-R310 PolarHBondContact O-N 3.09Å; S306-R310 VanDerWaalsContact O-N 3.13Å |
| 307 | F | 89.2 | Confident | 86.9 | Confident | 67 Ų | 67 | 66.2 Ų | 66.2 | 29% | 0.294 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.8 | -48.3 | 177.2 | 177.8 | -86.4 | 0 | 0 | 0 | 111.8 | C273 A303 L304 L305 R310 N311 H321 | C273-F307 HydrophobicContact CB-CD1 4.12Å; C273-F307 HydrophobicContact CB-CE1 3.48Å; C273-F307 VanDerWaalsContact CB-CE1 3.48Å; C273-F307 HydrophobicContact CB-CZ 4.23Å; A303-F307 WeakPolarHBondContact O-CB 3.45Å; A303-F307 PolarHBondContact O-N 3.5Å; L304-F307 PolarHBondContact O-N 3.25Å; L305-F307 PolarHBondContact O-N 2.66Å; F307-R310 PolarHBondContact O-N 3.22Å; F307-N311 WeakPolarHBondContact CZ-ND2 3.38Å; F307-N311 PolarHBondContact O-N 2.75Å; F307-N311 PolarHBondContact O-ND2 3.01Å; F307-H321 AromaticContact CE1-NE2 3.65Å |
| 308 | A | 91.4 | Very high | 87.4 | Confident | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.9 | -45.7 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L304 L305 R310 N311 E312 H321 I324 I325 | L304-A308 VanDerWaalsContact O-CB 3.29Å; L304-A308 WeakPolarHBondContact O-CB 3.31Å; L304-A308 PolarHBondContact O-N 3.34Å; L305-A308 PolarHBondContact O-N 3.33Å; A308-R310 PolarHBondContact O-N 3.39Å; A308-N311 PolarHBondContact O-N 3.02Å; A308-E312 WeakPolarHBondContact O-CB 3.43Å; A308-E312 PolarHBondContact O-N 3.06Å; A308-H321 HydrophobicContact CB-CB 4.08Å; A308-I324 HydrophobicContact CB-CB 4.22Å; A308-I324 HydrophobicContact CB-CG2 4.04Å; A308-I325 HydrophobicContact CB-CD1 4.11Å; A308-I325 HydrophobicContact CB-CG1 3.77Å |
| 309 | L | 91.3 | Very high | 87.7 | Confident | 81 Ų | 81 | 65.9 Ų | 65.9 | 42% | 0.424 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 178 | -73.1 | 171.5 | 0 | 0 | 0 | 112.5 | L305 N311 E312 I325 | L305-L309 HydrophobicContact CD1-CD1 3.96Å; L305-L309 HydrophobicContact CD1-CG 4.13Å; L305-L309 HydrophobicContact CG-CD1 3.87Å; L305-L309 HydrophobicContact CG-CG 4.43Å; L305-L309 WeakPolarHBondContact O-CB 3.49Å; L305-L309 VanDerWaalsContact O-CG 3.27Å; L305-L309 WeakPolarHBondContact O-CG 3.42Å; L305-L309 PolarHBondContact O-N 3.38Å; L309-N311 VanDerWaalsContact C-N 3.28Å; L309-N311 PolarHBondContact O-N 2.59Å; L309-E312 PolarHBondContact O-N 2.67Å; L309-I325 HydrophobicContact CD2-CD1 3.84Å; L309-I325 HydrophobicContact CD2-CG1 4.23Å; L309-I325 HydrophobicContact CG-CD1 4.32Å; L309-I325 HydrophobicContact CG-CG1 4.39Å |
| 310 | R | 89.6 | Confident | 88.2 | Confident | 197 Ų | 197 | 62.9 Ų | 62.9 | 74% | 0.743 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.6 | -37 | 177.1 | -75.4 | 176.7 | -167.9 | -162.5 | 5.6 | 112.4 | S306 F307 A308 | S306-R310 WeakPolarHBondContact O-CB 3.5Å; S306-R310 WeakPolarHBondContact O-CG 3.37Å; S306-R310 PolarHBondContact O-N 3.09Å; S306-R310 VanDerWaalsContact O-N 3.13Å; F307-R310 PolarHBondContact O-N 3.22Å; A308-R310 PolarHBondContact O-N 3.39Å |
| 311 | N | 89.5 | Confident | 88.6 | Confident | 28 Ų | 28 | 62.9 Ų | 62.9 | 15% | 0.15 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -88.2 | -24.8 | -178 | -71.9 | -72.8 | 0 | 0 | 0 | 113.8 | F307 A308 L309 L313 S314 R317 H321 | F307-N311 WeakPolarHBondContact CZ-ND2 3.38Å; F307-N311 PolarHBondContact O-N 2.75Å; F307-N311 PolarHBondContact O-ND2 3.01Å; A308-N311 PolarHBondContact O-N 3.02Å; L309-N311 VanDerWaalsContact C-N 3.28Å; L309-N311 PolarHBondContact O-N 2.59Å; N311-L313 PolarHBondContact O-N 3.16Å; N311-S314 WeakPolarHBondContact CA-OG 3.33Å; N311-S314 PolarHBondContact O-N 3.42Å; N311-S314 VanDerWaalsContact O-N 3.15Å; N311-S314 PolarHBondContact O-OG 3.16Å; N311-R317 WeakPolarHBondContact O-CA 3.49Å; N311-R317 PolarHBondContact O-N 3.41Å; N311-H321 WeakPolarHBondContact CB-CE1 3.41Å |
| 312 | E | 89.4 | Confident | 88.9 | Confident | 37 Ų | 37 | 66.1 Ų | 66.1 | 17% | 0.173 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.3 | -31.5 | 177.6 | -169.3 | 61.2 | -161.7 | 0 | 0 | 112.1 | A308 L309 R317 H321 V322 I325 | A308-E312 WeakPolarHBondContact O-CB 3.43Å; A308-E312 PolarHBondContact O-N 3.06Å; L309-E312 PolarHBondContact O-N 2.67Å; E312-R317 IonicContact OE1-CZ 3.19Å; E312-R317 IonicContact OE1-NE 2.69Å; E312-R317 PolarHBondContact OE1-NE 3.08Å; E312-R317 IonicContact OE1-NH2 2.91Å; E312-R317 PolarHBondContact OE1-NH2 3.18Å; E312-R317 IonicContact OE2-NE 3.86Å; E312-H321 WeakPolarHBondContact OE2-CB 3.43Å; E312-V322 HydrophobicContact CG-CG2 4.41Å; E312-V322 WeakPolarHBondContact OE1-CG2 3.27Å; E312-I325 HydrophobicContact CB-CD1 4.32Å; E312-I325 HydrophobicContact CG-CD1 4.43Å |
| 313 | L | 85.7 | Confident | 89.2 | Confident | 164 Ų | 164 | 63.8 Ų | 63.8 | 86% | 0.859 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -0.2 | 175.9 | -59.9 | 177.3 | 0 | 0 | 0 | 113.6 | N311 | N311-L313 PolarHBondContact O-N 3.16Š|
| 314 | S | 88.7 | Confident | 89.5 | Confident | 46 Ų | 46 | 61.9 Ų | 61.9 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -107.8 | 176 | -178 | 86.3 | 0 | 0 | 0 | 0 | 111.8 | N311 N316 | N311-S314 WeakPolarHBondContact CA-OG 3.33Å; N311-S314 PolarHBondContact O-N 3.42Å; N311-S314 VanDerWaalsContact O-N 3.15Å; N311-S314 PolarHBondContact O-OG 3.16Å; S314-N316 PolarHBondContact O-N 3.18Å; S314-N316 PolarHBondContact OG-N 3.47Å; S314-N316 VanDerWaalsContact OG-N 3.08Å |
| 315 | S | 86.5 | Confident | 89.7 | Confident | 121 Ų | 121 | 63 Ų | 63 | 85% | 0.846 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -12.4 | 171.4 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | R317 | S315-R317 VanDerWaalsContact C-N 3.28Å; S315-R317 PolarHBondContact O-N 2.84Å |
| 316 | N | 85.3 | Confident | 89.9 | Confident | 108 Ų | 108 | 62.1 Ų | 62.1 | 58% | 0.578 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 21.7 | -179.5 | -64.4 | -34.9 | 0 | 0 | 0 | 113.1 | S314 H321 | S314-N316 PolarHBondContact O-N 3.18Å; S314-N316 PolarHBondContact OG-N 3.47Å; S314-N316 VanDerWaalsContact OG-N 3.08Å; N316-H321 PolarHBondContact O-CE1 3.47Å; N316-H321 VanDerWaalsContact O-CE1 3.24Å |
| 317 | R | 86.6 | Confident | 90.1 | Very high | 168 Ų | 168 | 59.9 Ų | 59.9 | 63% | 0.634 | 32% | 0.316 | S | S | * | . | trans | -55.3 | 137.6 | 179.1 | -175.9 | -178.5 | -175.3 | -168 | 6.8 | 112.2 | N311 E312 S315 | N311-R317 WeakPolarHBondContact O-CA 3.49Å; N311-R317 PolarHBondContact O-N 3.41Å; E312-R317 IonicContact OE1-CZ 3.19Å; E312-R317 IonicContact OE1-NE 2.69Å; E312-R317 PolarHBondContact OE1-NE 3.08Å; E312-R317 IonicContact OE1-NH2 2.91Å; E312-R317 PolarHBondContact OE1-NH2 3.18Å; E312-R317 IonicContact OE2-NE 3.86Å; S315-R317 VanDerWaalsContact C-N 3.28Å; S315-R317 PolarHBondContact O-N 2.84Å | ||
| 318 | A | 87.9 | Confident | 90.2 | Very high | 21 Ų | 21 | 56.9 Ų | 56.9 | 17% | 0.174 | 30% | 0.303 | C | S | . | . | trans | -140.8 | 149.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | S320 H321 | A318-S320 VanDerWaalsContact CB-OG 3.31Å; A318-S320 WeakPolarHBondContact CB-OG 3.4Å; A318-S320 PolarHBondContact O-N 3.47Å; A318-S320 VanDerWaalsContact O-N 3.16Å; A318-H321 PolarHBondContact N-ND1 3.33Å; A318-H321 WeakPolarHBondContact O-CB 3.29Å; A318-H321 PolarHBondContact O-N 3.17Å | ||
| 319 | S | 88.6 | Confident | 90.2 | Very high | 51 Ų | 51 | 63 Ų | 63 | 36% | 0.357 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.9 | -31.5 | 179 | 52.7 | 0 | 0 | 0 | 0 | 113.4 | L277 H321 N323 | L277-S319 PolarHBondContact N-OG 3.06Å; S319-H321 VanDerWaalsContact C-N 3.34Å; S319-N323 PolarHBondContact O-ND2 3.47Å |
| 320 | S | 92.3 | Very high | 90.2 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 174.1 | 38.7 | 0 | 0 | 0 | 0 | 112.8 | C273 I275 A318 N323 I324 | C273-S320 WeakPolarHBondContact O-CB 3.24Å; C273-S320 PolarHBondContact O-OG 3.5Å; I275-S320 PolarHBondContact O-OG 3.48Å; A318-S320 VanDerWaalsContact CB-OG 3.31Å; A318-S320 WeakPolarHBondContact CB-OG 3.4Å; A318-S320 PolarHBondContact O-N 3.47Å; A318-S320 VanDerWaalsContact O-N 3.16Å; S320-N323 PolarHBondContact O-N 3Å; S320-I324 VanDerWaalsContact O-CG1 3.3Å; S320-I324 WeakPolarHBondContact O-CG1 3.35Å; S320-I324 PolarHBondContact O-N 3.15Å |
| 321 | H | 92.6 | Very high | 90.2 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.009 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -64.4 | -48.4 | -176.7 | -60.7 | 158.2 | 0 | 0 | 0 | 112 | C273 F307 A308 N311 E312 N316 A318 S319 N323 I324 I325 | C273-H321 PolarHBondContact O-CD2 3.39Å; C273-H321 PolarHBondContact O-NE2 3.16Å; C273-H321 VanDerWaalsContact O-NE2 3.17Å; F307-H321 AromaticContact CE1-NE2 3.65Å; A308-H321 HydrophobicContact CB-CB 4.08Å; N311-H321 WeakPolarHBondContact CB-CE1 3.41Å; E312-H321 WeakPolarHBondContact OE2-CB 3.43Å; N316-H321 PolarHBondContact O-CE1 3.47Å; N316-H321 VanDerWaalsContact O-CE1 3.24Å; A318-H321 PolarHBondContact N-ND1 3.33Å; A318-H321 WeakPolarHBondContact O-CB 3.29Å; A318-H321 PolarHBondContact O-N 3.17Å; S319-H321 VanDerWaalsContact C-N 3.34Å; H321-N323 PolarHBondContact O-N 2.83Å; H321-I324 PolarHBondContact O-N 2.98Å; H321-I325 WeakPolarHBondContact O-CD1 2.95Å; H321-I325 VanDerWaalsContact O-CG1 3.26Å; H321-I325 WeakPolarHBondContact O-CG1 3.24Å; H321-I325 PolarHBondContact O-N 3.41Å |
| 322 | V | 92.2 | Very high | 89.9 | Confident | 72 Ų | 72 | 63.8 Ų | 63.8 | 44% | 0.436 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 175 | 179.2 | 0 | 0 | 0 | 0 | 111.3 | E312 I325 G326 | E312-V322 HydrophobicContact CG-CG2 4.41Å; E312-V322 WeakPolarHBondContact OE1-CG2 3.27Å; V322-I325 PolarHBondContact O-N 3.32Å; V322-G326 PolarHBondContact O-N 2.84Å |
| 323 | N | 93.2 | Very high | 89.6 | Confident | 39 Ų | 39 | 69.7 Ų | 69.7 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66.2 | -44.9 | 176.9 | -75.6 | -61 | 0 | 0 | 0 | 112.1 | L277 T283 F286 S319 S320 H321 I325 G326 V327 | L277-N323 HydrophobicContact CD1-CB 4.3Å; L277-N323 WeakPolarHBondContact CD1-ND2 3.41Å; T283-N323 VanDerWaalsContact CG2-OD1 3.31Å; T283-N323 WeakPolarHBondContact CG2-OD1 3.32Å; F286-N323 HydrophobicContact CD1-CB 4.31Å; F286-N323 HydrophobicContact CE1-CB 4.35Å; S319-N323 PolarHBondContact O-ND2 3.47Å; S320-N323 PolarHBondContact O-N 3Å; H321-N323 PolarHBondContact O-N 2.83Å; N323-I325 VanDerWaalsContact C-N 3.32Å; N323-I325 PolarHBondContact O-N 3.2Å; N323-G326 PolarHBondContact O-N 3.14Å; N323-V327 VanDerWaalsContact O-CG2 3.32Å; N323-V327 WeakPolarHBondContact O-CG2 3.45Å; N323-V327 PolarHBondContact O-N 3.37Å |
| 324 | I | 93.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.7 | -49.1 | 174.8 | -68.8 | 166.2 | 0 | 0 | 0 | 110.1 | C273 F286 V290 L304 A308 S320 H321 G326 V327 C328 | C273-I324 HydrophobicContact CB-CD1 4.33Å; C273-I324 VanDerWaalsContact SG-CD1 3.52Å; F286-I324 HydrophobicContact CE1-CD1 4.44Å; F286-I324 HydrophobicContact CE1-CG1 3.84Å; F286-I324 HydrophobicContact CZ-CD1 4.21Å; F286-I324 HydrophobicContact CZ-CG1 4.1Å; V290-I324 HydrophobicContact CG1-CG1 4.44Å; V290-I324 HydrophobicContact CG2-CG1 4.11Å; L304-I324 HydrophobicContact CB-CG2 3.97Å; A308-I324 HydrophobicContact CB-CB 4.22Å; A308-I324 HydrophobicContact CB-CG2 4.04Å; S320-I324 VanDerWaalsContact O-CG1 3.3Å; S320-I324 WeakPolarHBondContact O-CG1 3.35Å; S320-I324 PolarHBondContact O-N 3.15Å; H321-I324 PolarHBondContact O-N 2.98Å; I324-G326 VanDerWaalsContact C-N 3.33Å; I324-G326 PolarHBondContact O-N 3.15Å; I324-V327 PolarHBondContact O-N 2.82Å; I324-C328 PolarHBondContact O-N 3.36Å; I324-C328 PolarHBondContact O-SG 3.25Å; I324-C328 VanDerWaalsContact O-SG 3.36Å |
| 325 | I | 93.4 | Very high | 88.8 | Confident | 25 Ų | 25 | 63.5 Ų | 63.5 | 13% | 0.128 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -56.1 | -50.5 | 177.5 | -68.3 | 162.7 | 0 | 0 | 0 | 109.9 | L305 A308 L309 E312 H321 V322 N323 V327 C328 F329 | L305-I325 HydrophobicContact CD1-CB 4.43Å; L305-I325 HydrophobicContact CD1-CG1 4.09Å; L305-I325 HydrophobicContact CD1-CG2 4.35Å; A308-I325 HydrophobicContact CB-CD1 4.11Å; A308-I325 HydrophobicContact CB-CG1 3.77Å; L309-I325 HydrophobicContact CD2-CD1 3.84Å; L309-I325 HydrophobicContact CD2-CG1 4.23Å; L309-I325 HydrophobicContact CG-CD1 4.32Å; L309-I325 HydrophobicContact CG-CG1 4.39Å; E312-I325 HydrophobicContact CB-CD1 4.32Å; E312-I325 HydrophobicContact CG-CD1 4.43Å; H321-I325 WeakPolarHBondContact O-CD1 2.95Å; H321-I325 VanDerWaalsContact O-CG1 3.26Å; H321-I325 WeakPolarHBondContact O-CG1 3.24Å; H321-I325 PolarHBondContact O-N 3.41Å; V322-I325 PolarHBondContact O-N 3.32Å; N323-I325 VanDerWaalsContact C-N 3.32Å; N323-I325 PolarHBondContact O-N 3.2Å; I325-V327 PolarHBondContact O-N 2.86Å; I325-C328 PolarHBondContact O-N 2.96Å; I325-F329 HydrophobicContact CG2-CD2 3.57Å; I325-F329 HydrophobicContact CG2-CE2 3.55Å; I325-F329 VanDerWaalsContact O-CD2 3.23Å; I325-F329 WeakPolarHBondContact O-CD2 3.29Å; I325-F329 PolarHBondContact O-N 3Å |
| 326 | G | 93.5 | Very high | 88.2 | Confident | 26 Ų | 26 | 60.4 Ų | 60.4 | 27% | 0.268 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57 | -46.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | V322 N323 I324 F329 Q330 | V322-G326 PolarHBondContact O-N 2.84Å; N323-G326 PolarHBondContact O-N 3.14Å; I324-G326 VanDerWaalsContact C-N 3.33Å; I324-G326 PolarHBondContact O-N 3.15Å; G326-F329 PolarHBondContact O-N 3.37Å; G326-Q330 WeakPolarHBondContact O-CB 3.3Å; G326-Q330 VanDerWaalsContact O-CG 3.23Å; G326-Q330 WeakPolarHBondContact O-CG 3.47Å; G326-Q330 PolarHBondContact O-N 3.14Å |
| 327 | V | 93 | Very high | 87.5 | Confident | 4 Ų | 4 | 60.5 Ų | 60.5 | 2% | 0.024 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 178.7 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | V290 K291 F294 N323 I324 I325 F329 Q330 N331 | V290-V327 HydrophobicContact CB-CG1 4.35Å; V290-V327 HydrophobicContact CG1-CB 4.22Å; V290-V327 HydrophobicContact CG1-CG1 3.96Å; K291-V327 HydrophobicContact CB-CG1 3.91Å; F294-V327 HydrophobicContact CE1-CG1 3.81Å; F294-V327 HydrophobicContact CZ-CG1 3.81Å; N323-V327 VanDerWaalsContact O-CG2 3.32Å; N323-V327 WeakPolarHBondContact O-CG2 3.45Å; N323-V327 PolarHBondContact O-N 3.37Å; I324-V327 PolarHBondContact O-N 2.82Å; I325-V327 PolarHBondContact O-N 2.86Å; V327-F329 VanDerWaalsContact C-N 3.35Å; V327-F329 PolarHBondContact O-N 2.97Å; V327-Q330 PolarHBondContact O-N 2.58Å; V327-N331 PolarHBondContact O-N 3.49Å; V327-N331 VanDerWaalsContact O-N 3.11Å; V327-N331 PolarHBondContact O-ND2 3.01Å |
| 328 | C | 91.1 | Very high | 86.3 | Confident | 5 Ų | 5 | 57.4 Ų | 57.4 | 3% | 0.034 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.3 | -69.7 | 0 | 0 | 0 | 0 | 111.4 | L305 I324 I325 N331 Y332 L335 | L305-C328 HydrophobicContact CD1-CB 4.25Å; I324-C328 PolarHBondContact O-N 3.36Å; I324-C328 PolarHBondContact O-SG 3.25Å; I324-C328 VanDerWaalsContact O-SG 3.36Å; I325-C328 PolarHBondContact O-N 2.96Å; C328-N331 CarbonylContact O-C 3.25Å; C328-N331 PolarHBondContact O-N 2.91Å; C328-Y332 PolarHBondContact O-N 3.3Å; C328-Y332 VanDerWaalsContact O-N 3.1Å; C328-L335 HydrophobicContact CB-CD1 4.45Å |
| 329 | F | 91.1 | Very high | 84.5 | Confident | 129 Ų | 129 | 64.4 Ų | 64.4 | 57% | 0.566 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -68.8 | -40.7 | 177.2 | -82.4 | -67.9 | 0 | 0 | 0 | 113 | L305 I325 G326 V327 N331 Y332 | L305-F329 HydrophobicContact CD1-CE2 4.41Å; I325-F329 HydrophobicContact CG2-CD2 3.57Å; I325-F329 HydrophobicContact CG2-CE2 3.55Å; I325-F329 VanDerWaalsContact O-CD2 3.23Å; I325-F329 WeakPolarHBondContact O-CD2 3.29Å; I325-F329 PolarHBondContact O-N 3Å; G326-F329 PolarHBondContact O-N 3.37Å; V327-F329 VanDerWaalsContact C-N 3.35Å; V327-F329 PolarHBondContact O-N 2.97Å; F329-N331 PolarHBondContact O-N 3.44Å; F329-Y332 VanDerWaalsContact O-CB 3.24Å; F329-Y332 WeakPolarHBondContact O-CB 3.41Å; F329-Y332 PolarHBondContact O-N 2.86Å |
| 330 | Q | 91.6 | Very high | 84.3 | Confident | 156 Ų | 156 | 65.1 Ų | 65.1 | 73% | 0.729 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -63.8 | -26.4 | 177.5 | -76.4 | 172.7 | -0.2 | 0 | 0 | 113.2 | G326 V327 | G326-Q330 WeakPolarHBondContact O-CB 3.3Å; G326-Q330 VanDerWaalsContact O-CG 3.23Å; G326-Q330 WeakPolarHBondContact O-CG 3.47Å; G326-Q330 PolarHBondContact O-N 3.14Å; V327-Q330 PolarHBondContact O-N 2.58Å |
| 331 | N | 88.8 | Confident | 83.8 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 10% | 0.096 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 19.4 | 178.3 | -60.2 | -91.5 | 0 | 0 | 0 | 111.8 | K291 F294 V327 C328 F329 E333 V334 L335 | K291-N331 WeakPolarHBondContact CD-OD1 3.45Å; K291-N331 WeakPolarHBondContact CE-OD1 3.48Å; K291-N331 PolarHBondContact NZ-OD1 3.47Å; F294-N331 HydrophobicContact CE2-CB 4.05Å; F294-N331 HydrophobicContact CZ-CB 4.09Å; V327-N331 PolarHBondContact O-N 3.49Å; V327-N331 VanDerWaalsContact O-N 3.11Å; V327-N331 PolarHBondContact O-ND2 3.01Å; C328-N331 CarbonylContact O-C 3.25Å; C328-N331 PolarHBondContact O-N 2.91Å; F329-N331 PolarHBondContact O-N 3.44Å; N331-E333 VanDerWaalsContact C-N 3.26Å; N331-E333 PolarHBondContact O-N 3.47Å; N331-V334 PolarHBondContact O-N 3.49Å; N331-V334 VanDerWaalsContact O-N 3.16Å; N331-L335 WeakPolarHBondContact O-CG 3.34Å; N331-L335 PolarHBondContact O-N 2.84Å; N331-L335 VanDerWaalsContact O-N 3.08Å |
| 332 | Y | 83.6 | Confident | 83.4 | Confident | 147 Ų | 147 | 72.2 Ų | 72.2 | 58% | 0.576 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -56 | -39.9 | -177.4 | 174.8 | -99.5 | 0 | 0 | 0 | 112.6 | C328 F329 V334 L335 S336 | C328-Y332 PolarHBondContact O-N 3.3Å; C328-Y332 VanDerWaalsContact O-N 3.1Å; F329-Y332 VanDerWaalsContact O-CB 3.24Å; F329-Y332 WeakPolarHBondContact O-CB 3.41Å; F329-Y332 PolarHBondContact O-N 2.86Å; Y332-V334 PolarHBondContact O-N 3.48Å; Y332-L335 PolarHBondContact O-N 3.4Å; Y332-S336 WeakPolarHBondContact O-CB 3.39Å; Y332-S336 PolarHBondContact O-N 3.03Å; Y332-S336 PolarHBondContact O-OG 3.24Å |
| 333 | E | 81.9 | Confident | 82.8 | Confident | 161 Ų | 161 | 72.2 Ų | 72.2 | 75% | 0.752 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -57.2 | -49 | 178.3 | -65.8 | -178.6 | 174.8 | 0 | 0 | 111.3 | N331 L335 S336 T337 | N331-E333 VanDerWaalsContact C-N 3.26Å; N331-E333 PolarHBondContact O-N 3.47Å; E333-L335 VanDerWaalsContact C-N 3.34Å; E333-L335 PolarHBondContact O-N 3.25Å; E333-S336 PolarHBondContact O-N 3.49Å; E333-S336 PolarHBondContact O-OG 3.24Å; E333-T337 WeakPolarHBondContact O-CG2 3.36Å; E333-T337 PolarHBondContact O-N 3.14Å |
| 334 | V | 80.9 | Confident | 82.2 | Confident | 59 Ų | 59 | 74.3 Ų | 74.3 | 36% | 0.358 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -60.8 | -45 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | L295 N331 Y332 S336 T337 | L295-V334 HydrophobicContact CD2-CG1 4.13Å; N331-V334 PolarHBondContact O-N 3.49Å; N331-V334 VanDerWaalsContact O-N 3.16Å; Y332-V334 PolarHBondContact O-N 3.48Å; V334-S336 VanDerWaalsContact C-N 3.33Å; V334-S336 PolarHBondContact O-N 3.44Å; V334-T337 PolarHBondContact O-N 3.37Å; V334-T337 PolarHBondContact O-OG1 3.23Å |
| 335 | L | 76.9 | Confident | 81.5 | Confident | 22 Ų | 22 | 79.2 Ų | 79.2 | 12% | 0.115 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -64.6 | -35.8 | 179.9 | -66.1 | 175.3 | 0 | 0 | 0 | 112.7 | F294 T298 A301 C328 N331 Y332 E333 T337 | F294-L335 HydrophobicContact CD2-CD2 3.56Å; F294-L335 HydrophobicContact CD2-CG 4.44Å; F294-L335 HydrophobicContact CE2-CD1 4.39Å; F294-L335 HydrophobicContact CE2-CD2 3.86Å; F294-L335 HydrophobicContact CE2-CG 4.26Å; F294-L335 HydrophobicContact CG-CD2 4.27Å; T298-L335 HydrophobicContact CG2-CD2 3.72Å; A301-L335 HydrophobicContact CB-CD1 3.77Å; A301-L335 HydrophobicContact CB-CD2 3.49Å; A301-L335 VanDerWaalsContact CB-CD2 3.49Å; A301-L335 HydrophobicContact CB-CG 4.28Å; C328-L335 HydrophobicContact CB-CD1 4.45Å; N331-L335 WeakPolarHBondContact O-CG 3.34Å; N331-L335 PolarHBondContact O-N 2.84Å; N331-L335 VanDerWaalsContact O-N 3.08Å; Y332-L335 PolarHBondContact O-N 3.4Å; E333-L335 VanDerWaalsContact C-N 3.34Å; E333-L335 PolarHBondContact O-N 3.25Å; L335-T337 VanDerWaalsContact C-N 3.35Å |
| 336 | S | 75.3 | Confident | 80.6 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -73.8 | -23.5 | -178.5 | 70.1 | 0 | 0 | 0 | 0 | 113.8 | Y332 E333 V334 | Y332-S336 WeakPolarHBondContact O-CB 3.39Å; Y332-S336 PolarHBondContact O-N 3.03Å; Y332-S336 PolarHBondContact O-OG 3.24Å; E333-S336 PolarHBondContact O-N 3.49Å; E333-S336 PolarHBondContact O-OG 3.24Å; V334-S336 VanDerWaalsContact C-N 3.33Å; V334-S336 PolarHBondContact O-N 3.44Å |
| 337 | T | 70.5 | Confident | 79.6 | Confident | 111 Ų | 111 | 87.5 Ų | 87.5 | 68% | 0.681 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -14 | -179.8 | 57.5 | 0 | 0 | 0 | 0 | 114.7 | E333 V334 L335 | E333-T337 WeakPolarHBondContact O-CG2 3.36Å; E333-T337 PolarHBondContact O-N 3.14Å; V334-T337 PolarHBondContact O-N 3.37Å; V334-T337 PolarHBondContact O-OG1 3.23Å; L335-T337 VanDerWaalsContact C-N 3.35Å |
| 338 | Q | 60.5 | Low | 78.5 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 48% | 0.477 | 48% | 0.482 | S | S | . | . | trans | -105.7 | 3.2 | -177 | -66.2 | -170.4 | -2.2 | 0 | 0 | 113.8 | T298 | T298-Q338 HydrophobicContact CG2-CB 3.6Å; T298-Q338 HydrophobicContact CG2-CG 4.25Å | ||
| 339 | V | 49.7 | Very low | 77.4 | Confident | 168 Ų | 168 | 102.5 Ų | 102.5 | 100% | 1.018 | 52% | 0.523 | S | S | * | . | trans | -95.5 | 0 | 169.5 | -178.3 | 0 | 0 | 0 | 0 | 108.3 |
Retrieved 339 of 339 residues in 1558.2 ms
(Link to these results)