| 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 | Q | 74.3 | Confident | 78.2 | Confident | 82 Ų | 82 | 45 Ų | 45 | 38% | 0.383 | 23% | 0.229 | S | C | . | . | 0 | -56.7 | 0 | -166.6 | 173.6 | 12.8 | 0 | 0 | 113 | W3 L4 K5 L10 M26 | Q1-W3 VanDerWaalsContact C-N 3.29Å; Q1-W3 PolarHBondContact O-N 3.31Å; Q1-L4 PolarHBondContact O-N 2.9Å; Q1-L4 VanDerWaalsContact O-N 3.1Å; Q1-K5 PolarHBondContact O-N 3.33Å; Q1-L10 HydrophobicContact CG-CD2 3.62Å; Q1-M26 HydrophobicContact CB-CE 3.88Å; Q1-M26 HydrophobicContact CG-CE 3.68Å | |||
| 2 | T | 77.1 | Confident | 76.3 | Confident | 89 Ų | 89 | 48.4 Ų | 48.4 | 55% | 0.546 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -52.5 | -45.7 | -179.2 | -49.3 | 0 | 0 | 0 | 0 | 112.9 | L4 K5 N6 | T2-L4 PolarHBondContact O-N 3.19Å; T2-K5 WeakPolarHBondContact O-CB 3.35Å; T2-K5 PolarHBondContact O-N 3.04Å; T2-K5 VanDerWaalsContact O-N 3.13Å; T2-N6 PolarHBondContact O-N 3.31Å; T2-N6 PolarHBondContact O-OD1 3.1Å |
| 3 | W | 85.1 | Confident | 74.4 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 15% | 0.148 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54 | -50.2 | 175.7 | -168.4 | 103.4 | 0 | 0 | 0 | 112.3 | Q1 K5 N6 Y7 Y9 M33 Y37 M53 F222 | Q1-W3 VanDerWaalsContact C-N 3.29Å; Q1-W3 PolarHBondContact O-N 3.31Å; W3-K5 VanDerWaalsContact C-N 3.25Å; W3-K5 PolarHBondContact O-N 2.89Å; W3-N6 PolarHBondContact O-N 3.06Å; W3-Y7 AromaticContact CD1-CE2 3.78Å; W3-Y7 AromaticContact CD2-CD2 3.56Å; W3-Y7 HydrophobicContact CD2-CD2 3.56Å; W3-Y7 AromaticContact CD2-CE2 3.77Å; W3-Y7 HydrophobicContact CD2-CE2 3.77Å; W3-Y7 AromaticContact CE2-CD2 3.54Å; W3-Y7 AromaticContact CE2-CE2 3.44Å; W3-Y7 VanDerWaalsContact CE2-CE2 3.44Å; W3-Y7 AromaticContact CE3-CD2 3.8Å; W3-Y7 HydrophobicContact CE3-CD2 3.8Å; W3-Y7 HydrophobicContact CE3-CE2 4.46Å; W3-Y7 HydrophobicContact CG-CD2 4.09Å; W3-Y7 AromaticContact CG-CE2 3.96Å; W3-Y7 HydrophobicContact CG-CE2 3.96Å; W3-Y7 AromaticContact CH2-CD2 3.88Å; W3-Y7 HydrophobicContact CH2-CD2 3.88Å; W3-Y7 HydrophobicContact CH2-CE2 4.46Å; W3-Y7 AromaticContact CZ2-CD2 3.73Å; W3-Y7 HydrophobicContact CZ2-CD2 3.73Å; W3-Y7 AromaticContact CZ2-CE2 3.85Å; W3-Y7 HydrophobicContact CZ2-CE2 3.85Å; W3-Y7 AromaticContact CZ3-CD2 3.94Å; W3-Y7 HydrophobicContact CZ3-CD2 3.94Å; W3-Y7 AromaticContact NE1-CE2 3.5Å; W3-Y7 WeakPolarHBondContact O-CD2 3.35Å; W3-Y7 PolarHBondContact O-N 3.13Å; W3-Y9 HydrophobicContact CH2-CE2 4.39Å; W3-Y9 HydrophobicContact CZ3-CD2 4.03Å; W3-Y9 HydrophobicContact CZ3-CE2 4.06Å; W3-M33 HydrophobicContact CH2-CE 3.78Å; W3-M33 HydrophobicContact CH2-CG 3.92Å; W3-M33 HydrophobicContact CH2-SD 4.2Å; W3-M33 HydrophobicContact CZ2-CE 4.31Å; W3-M33 HydrophobicContact CZ3-CE 4.16Å; W3-M33 HydrophobicContact CZ3-CG 3.69Å; W3-M33 HydrophobicContact CZ3-SD 3.98Å; W3-Y37 AromaticContact CH2-CE2 3.76Å; W3-Y37 HydrophobicContact CH2-CE2 3.76Å; W3-Y37 WeakPolarHBondContact CH2-OH 3.44Å; W3-M53 HydrophobicContact CB-CE 3.4Å; W3-M53 VanDerWaalsContact CB-CE 3.4Å; W3-M53 HydrophobicContact CD2-CB 4.28Å; W3-M53 HydrophobicContact CD2-CE 3.4Å; W3-M53 HydrophobicContact CD2-CG 3.93Å; W3-M53 HydrophobicContact CD2-SD 4.47Å; W3-M53 HydrophobicContact CE3-CE 3.62Å; W3-M53 HydrophobicContact CE3-CG 4.2Å; W3-M53 HydrophobicContact CG-CB 4.47Å; W3-M53 HydrophobicContact CG-CE 3.3Å; W3-M53 HydrophobicContact CG-CG 4.47Å; W3-M53 HydrophobicContact CH2-CG 4.39Å; W3-M53 HydrophobicContact CZ2-CB 4.34Å; W3-M53 HydrophobicContact CZ2-CG 4.07Å; W3-M53 HydrophobicContact CZ3-CG 4.44Å; W3-M53 PolarHBondContact NE1-O 2.68Å; W3-F222 HydrophobicContact CH2-CZ 4.47Å; W3-F222 HydrophobicContact CZ2-CE1 4.45Å; W3-F222 HydrophobicContact CZ2-CZ 4.06Å |
| 4 | L | 84.9 | Confident | 72.8 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.2 | -29.4 | -180 | -65.7 | 166.6 | 0 | 0 | 0 | 112.7 | Q1 T2 G8 Y9 L10 M26 A29 V30 M33 | Q1-L4 PolarHBondContact O-N 2.9Å; Q1-L4 VanDerWaalsContact O-N 3.1Å; T2-L4 PolarHBondContact O-N 3.19Å; L4-G8 PolarHBondContact O-N 3.3Å; L4-Y9 HydrophobicContact CD2-CD2 4.29Å; L4-Y9 HydrophobicContact CD2-CG 4.31Å; L4-Y9 WeakPolarHBondContact O-CA 3.4Å; L4-Y9 PolarHBondContact O-N 2.67Å; L4-L10 HydrophobicContact CB-CB 3.97Å; L4-L10 PolarHBondContact O-N 2.86Å; L4-M26 HydrophobicContact CD1-SD 3.62Å; L4-A29 HydrophobicContact CD1-CB 4.13Å; L4-V30 HydrophobicContact CD1-CG2 3.73Å; L4-M33 HydrophobicContact CD2-CB 4.04Å; L4-M33 HydrophobicContact CD2-CG 4.45Å |
| 5 | K | 79 | Confident | 71.4 | Confident | 87 Ų | 87 | 53.5 Ų | 53.5 | 38% | 0.378 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -72.9 | -47.2 | 174.6 | -68.2 | -177.4 | 175 | -177.4 | 0 | 111.4 | Q1 T2 W3 Y7 G8 L10 | Q1-K5 PolarHBondContact O-N 3.33Å; T2-K5 WeakPolarHBondContact O-CB 3.35Å; T2-K5 PolarHBondContact O-N 3.04Å; T2-K5 VanDerWaalsContact O-N 3.13Å; W3-K5 VanDerWaalsContact C-N 3.25Å; W3-K5 PolarHBondContact O-N 2.89Å; K5-Y7 PolarHBondContact O-N 3.14Å; K5-G8 PolarHBondContact O-N 3.26Å; K5-L10 HydrophobicContact CG-CB 4.15Å; K5-L10 HydrophobicContact CG-CD2 4.15Å; K5-L10 HydrophobicContact CG-CG 4.41Å |
| 6 | N | 76.5 | Confident | 70 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 40% | 0.396 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.9 | -36.7 | -178.5 | -71.6 | -1 | 0 | 0 | 0 | 111.5 | T2 W3 K342 | T2-N6 PolarHBondContact O-N 3.31Å; T2-N6 PolarHBondContact O-OD1 3.1Å; W3-N6 PolarHBondContact O-N 3.06Å; N6-K342 PolarHBondContact OD1-NZ 2.57Å |
| 7 | Y | 81.4 | Confident | 69 | Low | 16 Ų | 16 | 63.1 Ų | 63.1 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.3 | 11.2 | -178 | -56.7 | -64.1 | 0 | 0 | 0 | 115.2 | W3 K5 R57 D62 | W3-Y7 AromaticContact CD1-CE2 3.78Å; W3-Y7 AromaticContact CD2-CD2 3.56Å; W3-Y7 HydrophobicContact CD2-CD2 3.56Å; W3-Y7 AromaticContact CD2-CE2 3.77Å; W3-Y7 HydrophobicContact CD2-CE2 3.77Å; W3-Y7 AromaticContact CE2-CD2 3.54Å; W3-Y7 AromaticContact CE2-CE2 3.44Å; W3-Y7 VanDerWaalsContact CE2-CE2 3.44Å; W3-Y7 AromaticContact CE3-CD2 3.8Å; W3-Y7 HydrophobicContact CE3-CD2 3.8Å; W3-Y7 HydrophobicContact CE3-CE2 4.46Å; W3-Y7 HydrophobicContact CG-CD2 4.09Å; W3-Y7 AromaticContact CG-CE2 3.96Å; W3-Y7 HydrophobicContact CG-CE2 3.96Å; W3-Y7 AromaticContact CH2-CD2 3.88Å; W3-Y7 HydrophobicContact CH2-CD2 3.88Å; W3-Y7 HydrophobicContact CH2-CE2 4.46Å; W3-Y7 AromaticContact CZ2-CD2 3.73Å; W3-Y7 HydrophobicContact CZ2-CD2 3.73Å; W3-Y7 AromaticContact CZ2-CE2 3.85Å; W3-Y7 HydrophobicContact CZ2-CE2 3.85Å; W3-Y7 AromaticContact CZ3-CD2 3.94Å; W3-Y7 HydrophobicContact CZ3-CD2 3.94Å; W3-Y7 AromaticContact NE1-CE2 3.5Å; W3-Y7 WeakPolarHBondContact O-CD2 3.35Å; W3-Y7 PolarHBondContact O-N 3.13Å; K5-Y7 PolarHBondContact O-N 3.14Å; Y7-R57 VanDerWaalsContact CZ-CD 3.43Å; Y7-R57 WeakPolarHBondContact OH-CD 3.21Å; Y7-D62 PolarHBondContact O-N 3.12Å |
| 8 | G | 76.4 | Confident | 68.2 | Low | 14 Ų | 14 | 63.7 Ų | 63.7 | 14% | 0.144 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 82.8 | 12 | 170.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | L4 K5 | L4-G8 PolarHBondContact O-N 3.3Å; K5-G8 PolarHBondContact O-N 3.26Å |
| 9 | Y | 80.7 | Confident | 67.8 | Low | 22 Ų | 22 | 67.7 Ų | 67.7 | 9% | 0.086 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -85.3 | -24.9 | 178.1 | -65.7 | -74.3 | 0 | 0 | 0 | 114.1 | W3 L4 A29 A32 M33 F36 Y37 D62 H63 | W3-Y9 HydrophobicContact CH2-CE2 4.39Å; W3-Y9 HydrophobicContact CZ3-CD2 4.03Å; W3-Y9 HydrophobicContact CZ3-CE2 4.06Å; L4-Y9 HydrophobicContact CD2-CD2 4.29Å; L4-Y9 HydrophobicContact CD2-CG 4.31Å; L4-Y9 WeakPolarHBondContact O-CA 3.4Å; L4-Y9 PolarHBondContact O-N 2.67Å; Y9-A29 VanDerWaalsContact O-CB 3.26Å; Y9-A29 WeakPolarHBondContact O-CB 3.42Å; Y9-A32 HydrophobicContact CD1-CB 3.95Å; Y9-A32 HydrophobicContact CE1-CB 4.48Å; Y9-M33 HydrophobicContact CD1-CB 4.02Å; Y9-M33 HydrophobicContact CD2-CB 4.13Å; Y9-M33 HydrophobicContact CD2-CG 4.49Å; Y9-M33 HydrophobicContact CE1-CB 4Å; Y9-M33 HydrophobicContact CE2-CB 4.09Å; Y9-M33 HydrophobicContact CE2-CG 4.18Å; Y9-M33 HydrophobicContact CG-CB 4.08Å; Y9-F36 HydrophobicContact CE1-CB 4.2Å; Y9-F36 WeakPolarHBondContact OH-CB 3.48Å; Y9-F36 WeakPolarHBondContact OH-CD1 3.44Å; Y9-F36 WeakPolarHBondContact OH-CG 3.15Å; Y9-Y37 WeakPolarHBondContact CE2-OH 3.39Å; Y9-Y37 VanDerWaalsContact OH-CZ 3.27Å; Y9-Y37 PolarHBondContact OH-OH 3.26Å; Y9-Y37 VanDerWaalsContact OH-OH 3.12Å; Y9-D62 HydrophobicContact CE2-CB 4.21Å; Y9-D62 VanDerWaalsContact CE2-OD2 3.25Å; Y9-D62 WeakPolarHBondContact CE2-OD2 3.31Å; Y9-D62 WeakPolarHBondContact OH-CB 3.33Å; Y9-D62 PolarHBondContact OH-OD2 2.96Å; Y9-H63 AromaticContact CD1-ND1 4Å; Y9-H63 AromaticContact CE1-CE1 3.43Å; Y9-H63 VanDerWaalsContact CE1-CE1 3.43Å; Y9-H63 WeakPolarHBondContact CE1-CE1 3.33Å; Y9-H63 AromaticContact CE1-ND1 3.51Å; Y9-H63 AromaticContact CZ-CE1 3.96Å; Y9-H63 AromaticContact CZ-ND1 3.85Å |
| 10 | L | 79.2 | Confident | 67.3 | Low | 8 Ų | 8 | 71.3 Ų | 71.3 | 4% | 0.042 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -124.7 | 119.4 | -179.9 | -172.7 | 69.1 | 0 | 0 | 0 | 110.6 | Q1 L4 K5 D14 A25 M26 A29 | Q1-L10 HydrophobicContact CG-CD2 3.62Å; L4-L10 HydrophobicContact CB-CB 3.97Å; L4-L10 PolarHBondContact O-N 2.86Å; K5-L10 HydrophobicContact CG-CB 4.15Å; K5-L10 HydrophobicContact CG-CD2 4.15Å; K5-L10 HydrophobicContact CG-CG 4.41Å; L10-D14 HydrophobicContact CD1-CB 4.45Å; L10-A25 HydrophobicContact CD1-CB 4.3Å; L10-M26 HydrophobicContact CD2-CE 4.23Å; L10-A29 HydrophobicContact CB-CB 4.1Å; L10-A29 HydrophobicContact CD1-CB 4.04Å |
| 11 | L | 65.3 | Low | 67.1 | Low | 64 Ų | 64 | 75.7 Ų | 75.7 | 34% | 0.335 | 38% | 0.38 | S | S | . | . | trans | -78.7 | 146.1 | 179.7 | -61.2 | 171.5 | 0 | 0 | 0 | 111.4 | H13 D14 T66 | L11-H13 PolarHBondContact O-N 3.09Å; L11-H13 VanDerWaalsContact O-N 3.13Å; L11-D14 PolarHBondContact O-N 3.15Å; L11-T66 HydrophobicContact CD2-CG2 4.04Å; L11-T66 WeakPolarHBondContact CD2-OG1 3.48Å | ||
| 12 | P | 55.1 | Low | 66.9 | Low | 86 Ų | 86 | 74.7 Ų | 74.7 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | G | 310 helix | trans | -57.9 | -28.2 | 178.7 | -25.2 | 34.2 | 0 | 0 | 0 | 114 | ||
| 13 | H | 52.4 | Low | 66.8 | Low | 109 Ų | 109 | 75.9 Ų | 75.9 | 51% | 0.505 | 38% | 0.375 | S | S | . | . | G | 310 helix | trans | -79.2 | -20.7 | -176.6 | -69.4 | -42.6 | 0 | 0 | 0 | 115.2 | L11 V15 R16 | L11-H13 PolarHBondContact O-N 3.09Å; L11-H13 VanDerWaalsContact O-N 3.13Å; H13-V15 PolarHBondContact O-N 2.84Å; H13-R16 PolarHBondContact O-N 2.78Å |
| 14 | D | 52.3 | Low | 66.6 | Low | 70 Ų | 70 | 81.4 Ų | 81.4 | 37% | 0.374 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -73.5 | -10.4 | -176.2 | -66.1 | -33.5 | 0 | 0 | 0 | 113.2 | L10 L11 A25 | L10-D14 HydrophobicContact CD1-CB 4.45Å; L11-D14 PolarHBondContact O-N 3.15Å; D14-A25 HydrophobicContact CB-CB 3.89Å |
| 15 | V | 50.7 | Low | 66.3 | Low | 42 Ų | 42 | 82.3 Ų | 82.3 | 26% | 0.255 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -90.5 | -5.9 | -176.8 | -165.8 | 0 | 0 | 0 | 0 | 112.6 | H13 | H13-V15 PolarHBondContact O-N 2.84Š|
| 16 | R | 49 | Very low | 66.6 | Low | 213 Ų | 213 | 80 Ų | 80 | 80% | 0.804 | 40% | 0.399 | S | S | * | . | S | Bend | trans | -94.6 | 12.3 | -176.3 | -90.2 | -175 | 158.7 | -179.7 | -4 | 115 | H13 | H13-R16 PolarHBondContact O-N 2.78Š|
| 17 | T | 52.9 | Low | 67.1 | Low | 58 Ų | 58 | 80.3 Ų | 80.3 | 36% | 0.356 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -122.3 | 155.3 | -177.8 | 60.9 | 0 | 0 | 0 | 0 | 111.3 | R21 | T17-R21 WeakPolarHBondContact OG1-CB 3.27Å; T17-R21 WeakPolarHBondContact OG1-CD 3.43Å |
| 18 | S | 55.8 | Low | 67.4 | Low | 74 Ų | 74 | 83.3 Ų | 83.3 | 52% | 0.517 | 42% | 0.421 | S | S | . | . | trans | -26.1 | 141 | -179.7 | 58.6 | 0 | 0 | 0 | 0 | 115 | L20 R21 Q22 | S18-L20 PolarHBondContact O-N 3.19Å; S18-R21 WeakPolarHBondContact O-CA 3.34Å; S18-R21 WeakPolarHBondContact O-CB 3.33Å; S18-R21 PolarHBondContact O-N 3.23Å; S18-Q22 PolarHBondContact O-N 3.28Å | ||
| 19 | D | 59.5 | Low | 67.9 | Low | 139 Ų | 139 | 82.8 Ų | 82.8 | 74% | 0.743 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -42.5 | -41.5 | -175.1 | -63.2 | -29.2 | 0 | 0 | 0 | 115.1 | R21 Q22 E23 | D19-R21 VanDerWaalsContact C-N 3.33Å; D19-R21 PolarHBondContact O-N 3.1Å; D19-Q22 PolarHBondContact O-N 3.11Å; D19-E23 PolarHBondContact O-N 3.16Å |
| 20 | L | 58.8 | Low | 68.3 | Low | 139 Ų | 139 | 81.9 Ų | 81.9 | 73% | 0.728 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -63.1 | -31.8 | 177.2 | -69.1 | 169 | 0 | 0 | 0 | 114.5 | S18 K24 | S18-L20 PolarHBondContact O-N 3.19Å; L20-K24 WeakPolarHBondContact O-CB 3.28Å; L20-K24 PolarHBondContact O-N 3.04Å |
| 21 | R | 63.4 | Low | 68.7 | Low | 164 Ų | 164 | 82.4 Ų | 82.4 | 62% | 0.619 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -78.3 | -33.8 | 176.5 | -73 | -178 | 179.3 | -161.7 | 3.6 | 111.4 | T17 S18 D19 K24 A25 | T17-R21 WeakPolarHBondContact OG1-CB 3.27Å; T17-R21 WeakPolarHBondContact OG1-CD 3.43Å; S18-R21 WeakPolarHBondContact O-CA 3.34Å; S18-R21 WeakPolarHBondContact O-CB 3.33Å; S18-R21 PolarHBondContact O-N 3.23Å; D19-R21 VanDerWaalsContact C-N 3.33Å; D19-R21 PolarHBondContact O-N 3.1Å; R21-K24 PolarHBondContact O-N 3.04Å; R21-A25 WeakPolarHBondContact O-CB 3.3Å; R21-A25 PolarHBondContact O-N 3.3Å |
| 22 | Q | 69.9 | Low | 69.7 | Low | 62 Ų | 62 | 81.2 Ų | 81.2 | 29% | 0.29 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.7 | -41.9 | 175.6 | -177.4 | 173.7 | -14.6 | 0 | 0 | 111.5 | S18 D19 A25 M26 | S18-Q22 PolarHBondContact O-N 3.28Å; D19-Q22 PolarHBondContact O-N 3.11Å; Q22-A25 PolarHBondContact O-N 3.13Å; Q22-M26 WeakPolarHBondContact O-CB 3.48Å; Q22-M26 PolarHBondContact O-N 2.86Å |
| 23 | E | 74.3 | Confident | 71.3 | Confident | 113 Ų | 113 | 77.1 Ų | 77.1 | 53% | 0.528 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 175.3 | -169.2 | 178.1 | -177.6 | 0 | 0 | 111.4 | D19 A25 M26 Q27 | D19-E23 PolarHBondContact O-N 3.16Å; E23-A25 VanDerWaalsContact C-N 3.35Å; E23-A25 PolarHBondContact O-N 3.24Å; E23-M26 WeakPolarHBondContact O-CB 3.49Å; E23-M26 PolarHBondContact O-N 3.44Å; E23-Q27 WeakPolarHBondContact O-CG 3.23Å; E23-Q27 PolarHBondContact O-N 3.33Å |
| 24 | K | 80.4 | Confident | 73 | Confident | 156 Ų | 156 | 72 Ų | 72 | 68% | 0.678 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -63.8 | -37.8 | 176.8 | -170.5 | 169.5 | -176.4 | 173.1 | 0 | 112.9 | L20 R21 S28 | L20-K24 WeakPolarHBondContact O-CB 3.28Å; L20-K24 PolarHBondContact O-N 3.04Å; R21-K24 PolarHBondContact O-N 3.04Å; K24-S28 WeakPolarHBondContact O-CB 3.43Å; K24-S28 PolarHBondContact O-N 3.08Å |
| 25 | A | 79.8 | Confident | 74.5 | Confident | 19 Ų | 19 | 76.7 Ų | 76.7 | 16% | 0.157 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.6 | -41.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L10 D14 R21 Q22 E23 S28 A29 | L10-A25 HydrophobicContact CD1-CB 4.3Å; D14-A25 HydrophobicContact CB-CB 3.89Å; R21-A25 WeakPolarHBondContact O-CB 3.3Å; R21-A25 PolarHBondContact O-N 3.3Å; Q22-A25 PolarHBondContact O-N 3.13Å; E23-A25 VanDerWaalsContact C-N 3.35Å; E23-A25 PolarHBondContact O-N 3.24Å; A25-S28 PolarHBondContact O-N 3.28Å; A25-A29 WeakPolarHBondContact O-CB 3.29Å; A25-A29 PolarHBondContact O-N 2.88Å |
| 26 | M | 84.4 | Confident | 75.9 | Confident | 39 Ų | 39 | 76.2 Ų | 76.2 | 19% | 0.192 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 175 | -171 | 70.7 | 61.6 | 0 | 0 | 111.4 | Q1 L4 L10 Q22 E23 S28 A29 V30 | Q1-M26 HydrophobicContact CB-CE 3.88Å; Q1-M26 HydrophobicContact CG-CE 3.68Å; L4-M26 HydrophobicContact CD1-SD 3.62Å; L10-M26 HydrophobicContact CD2-CE 4.23Å; Q22-M26 WeakPolarHBondContact O-CB 3.48Å; Q22-M26 PolarHBondContact O-N 2.86Å; E23-M26 WeakPolarHBondContact O-CB 3.49Å; E23-M26 PolarHBondContact O-N 3.44Å; M26-S28 VanDerWaalsContact C-N 3.3Å; M26-S28 PolarHBondContact O-N 2.87Å; M26-A29 PolarHBondContact O-N 3.27Å; M26-A29 VanDerWaalsContact O-N 3.17Å; M26-V30 WeakPolarHBondContact O-CG2 3.25Å; M26-V30 PolarHBondContact O-N 3.1Å |
| 27 | Q | 88 | Confident | 77.3 | Confident | 79 Ų | 79 | 66.8 Ų | 66.8 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 178.5 | -72.5 | 176.4 | -0.3 | 0 | 0 | 111.5 | E23 V30 A31 G43 | E23-Q27 WeakPolarHBondContact O-CG 3.23Å; E23-Q27 PolarHBondContact O-N 3.33Å; Q27-V30 PolarHBondContact O-N 2.99Å; Q27-A31 VanDerWaalsContact O-CB 3.29Å; Q27-A31 WeakPolarHBondContact O-CB 3.43Å; Q27-A31 PolarHBondContact O-N 3.45Å; Q27-G43 VanDerWaalsContact CA-O 3.3Å; Q27-G43 WeakPolarHBondContact CA-O 3.43Å |
| 28 | S | 86.8 | Confident | 78.6 | Confident | 80 Ų | 80 | 67.4 Ų | 67.4 | 56% | 0.559 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -64.6 | -40 | 175.6 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | K24 A25 M26 A31 A32 | K24-S28 WeakPolarHBondContact O-CB 3.43Å; K24-S28 PolarHBondContact O-N 3.08Å; A25-S28 PolarHBondContact O-N 3.28Å; M26-S28 VanDerWaalsContact C-N 3.3Å; M26-S28 PolarHBondContact O-N 2.87Å; S28-A31 PolarHBondContact O-N 2.92Å; S28-A32 WeakPolarHBondContact O-CB 3.46Å; S28-A32 PolarHBondContact O-N 3.18Å |
| 29 | A | 86.9 | Confident | 79.9 | Confident | 3 Ų | 3 | 64.3 Ų | 64.3 | 3% | 0.025 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.5 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | L4 Y9 L10 A25 M26 A32 M33 | L4-A29 HydrophobicContact CD1-CB 4.13Å; Y9-A29 VanDerWaalsContact O-CB 3.26Å; Y9-A29 WeakPolarHBondContact O-CB 3.42Å; L10-A29 HydrophobicContact CB-CB 4.1Å; L10-A29 HydrophobicContact CD1-CB 4.04Å; A25-A29 WeakPolarHBondContact O-CB 3.29Å; A25-A29 PolarHBondContact O-N 2.88Å; M26-A29 PolarHBondContact O-N 3.27Å; M26-A29 VanDerWaalsContact O-N 3.17Å; A29-A32 PolarHBondContact O-N 3.08Å; A29-M33 PolarHBondContact O-N 2.85Å |
| 30 | V | 89.8 | Confident | 81.2 | Confident | 3 Ų | 3 | 62 Ų | 62 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63.5 | -44 | 174.4 | 175.2 | 0 | 0 | 0 | 0 | 110.7 | L4 M26 Q27 A32 M33 Q34 L44 L45 T49 | L4-V30 HydrophobicContact CD1-CG2 3.73Å; M26-V30 WeakPolarHBondContact O-CG2 3.25Å; M26-V30 PolarHBondContact O-N 3.1Å; Q27-V30 PolarHBondContact O-N 2.99Å; V30-A32 VanDerWaalsContact C-N 3.3Å; V30-A32 PolarHBondContact O-N 3.38Å; V30-M33 WeakPolarHBondContact O-CB 3.26Å; V30-M33 PolarHBondContact O-N 2.98Å; V30-Q34 HydrophobicContact CG1-CG 4.24Å; V30-Q34 WeakPolarHBondContact O-CB 3.27Å; V30-Q34 VanDerWaalsContact O-CG 3.25Å; V30-Q34 WeakPolarHBondContact O-CG 3.15Å; V30-Q34 PolarHBondContact O-N 3.5Å; V30-L44 WeakPolarHBondContact CG1-O 3.31Å; V30-L45 HydrophobicContact CG2-CG 4.2Å; V30-T49 HydrophobicContact CG1-CG2 4.21Å |
| 31 | A | 87.7 | Confident | 82.7 | Confident | 18 Ų | 18 | 58.9 Ų | 58.9 | 15% | 0.149 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.4 | -34.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q27 S28 R35 V41 | Q27-A31 VanDerWaalsContact O-CB 3.29Å; Q27-A31 WeakPolarHBondContact O-CB 3.43Å; Q27-A31 PolarHBondContact O-N 3.45Å; S28-A31 PolarHBondContact O-N 2.92Å; A31-R35 VanDerWaalsContact O-CB 3.26Å; A31-R35 WeakPolarHBondContact O-CB 3.5Å; A31-R35 PolarHBondContact O-N 3.02Å; A31-V41 HydrophobicContact CB-CG1 3.84Å |
| 32 | A | 85.5 | Confident | 84 | Confident | 40 Ų | 40 | 54.2 Ų | 54.2 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y9 S28 A29 V30 R35 F36 | Y9-A32 HydrophobicContact CD1-CB 3.95Å; Y9-A32 HydrophobicContact CE1-CB 4.48Å; S28-A32 WeakPolarHBondContact O-CB 3.46Å; S28-A32 PolarHBondContact O-N 3.18Å; A29-A32 PolarHBondContact O-N 3.08Å; V30-A32 VanDerWaalsContact C-N 3.3Å; V30-A32 PolarHBondContact O-N 3.38Å; A32-R35 PolarHBondContact O-N 3.31Å; A32-F36 WeakPolarHBondContact O-CB 3.34Å; A32-F36 PolarHBondContact O-N 3.37Å |
| 33 | M | 88.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57 | -53.5 | 171.7 | 175 | -131.5 | 167.6 | 0 | 0 | 111.2 | W3 L4 Y9 A29 V30 R35 F36 Y37 I39 T49 W52 M53 | W3-M33 HydrophobicContact CH2-CE 3.78Å; W3-M33 HydrophobicContact CH2-CG 3.92Å; W3-M33 HydrophobicContact CH2-SD 4.2Å; W3-M33 HydrophobicContact CZ2-CE 4.31Å; W3-M33 HydrophobicContact CZ3-CE 4.16Å; W3-M33 HydrophobicContact CZ3-CG 3.69Å; W3-M33 HydrophobicContact CZ3-SD 3.98Å; L4-M33 HydrophobicContact CD2-CB 4.04Å; L4-M33 HydrophobicContact CD2-CG 4.45Å; Y9-M33 HydrophobicContact CD1-CB 4.02Å; Y9-M33 HydrophobicContact CD2-CB 4.13Å; Y9-M33 HydrophobicContact CD2-CG 4.49Å; Y9-M33 HydrophobicContact CE1-CB 4Å; Y9-M33 HydrophobicContact CE2-CB 4.09Å; Y9-M33 HydrophobicContact CE2-CG 4.18Å; Y9-M33 HydrophobicContact CG-CB 4.08Å; A29-M33 PolarHBondContact O-N 2.85Å; V30-M33 WeakPolarHBondContact O-CB 3.26Å; V30-M33 PolarHBondContact O-N 2.98Å; M33-R35 VanDerWaalsContact C-N 3.28Å; M33-R35 PolarHBondContact O-N 3.33Å; M33-F36 PolarHBondContact O-N 2.96Å; M33-F36 VanDerWaalsContact O-N 3.08Å; M33-Y37 HydrophobicContact CB-CE2 4.39Å; M33-Y37 HydrophobicContact CE-CD2 3.61Å; M33-Y37 HydrophobicContact CE-CE2 3.48Å; M33-Y37 VanDerWaalsContact CE-CE2 3.48Å; M33-Y37 HydrophobicContact CG-CD2 3.64Å; M33-Y37 HydrophobicContact CG-CE2 3.22Å; M33-Y37 WeakPolarHBondContact O-CD2 3.39Å; M33-Y37 PolarHBondContact O-N 3.5Å; M33-Y37 VanDerWaalsContact O-N 3.14Å; M33-Y37 HydrophobicContact SD-CD2 4.4Å; M33-Y37 HydrophobicContact SD-CE2 4.19Å; M33-I39 HydrophobicContact CE-CD1 4.15Å; M33-T49 HydrophobicContact CE-CG2 4.27Å; M33-T49 HydrophobicContact SD-CG2 3.83Å; M33-W52 HydrophobicContact CE-CB 4.44Å; M33-M53 HydrophobicContact CE-CG 3.6Å; M33-M53 HydrophobicContact SD-CG 4.14Å |
| 34 | Q | 88.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.3 | -43.4 | -178 | -72.3 | 168.3 | -24.9 | 0 | 0 | 111.9 | V30 F36 Y37 G38 I39 P40 V41 T42 L44 T49 | V30-Q34 HydrophobicContact CG1-CG 4.24Å; V30-Q34 WeakPolarHBondContact O-CB 3.27Å; V30-Q34 VanDerWaalsContact O-CG 3.25Å; V30-Q34 WeakPolarHBondContact O-CG 3.15Å; V30-Q34 PolarHBondContact O-N 3.5Å; Q34-F36 PolarHBondContact O-N 3.39Å; Q34-Y37 PolarHBondContact O-N 2.58Å; Q34-G38 PolarHBondContact O-N 2.9Å; Q34-G38 VanDerWaalsContact O-N 3.1Å; Q34-I39 VanDerWaalsContact CA-CG1 3.42Å; Q34-I39 HydrophobicContact CB-CD1 4.2Å; Q34-I39 HydrophobicContact CB-CG1 3.72Å; Q34-I39 HydrophobicContact CG-CD1 3.73Å; Q34-I39 HydrophobicContact CG-CG1 3.79Å; Q34-I39 WeakPolarHBondContact O-CG1 3.44Å; Q34-I39 PolarHBondContact O-N 2.76Å; Q34-P40 VanDerWaalsContact CD-O 3.32Å; Q34-V41 HydrophobicContact CB-CB 4.45Å; Q34-V41 HydrophobicContact CB-CG2 4.15Å; Q34-T42 PolarHBondContact NE2-OG1 2.96Å; Q34-L44 PolarHBondContact NE2-O 3.15Å; Q34-T49 HydrophobicContact CG-CG2 4.46Å; Q34-T49 PolarHBondContact NE2-OG1 3.46Å |
| 35 | R | 84.6 | Confident | 85.9 | Confident | 170 Ų | 170 | 47.7 Ų | 47.7 | 64% | 0.642 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.3 | -40.4 | 176.5 | 177.4 | 177.9 | -84.6 | 97.8 | -3.4 | 112.3 | A31 A32 M33 Y37 G38 V41 | A31-R35 VanDerWaalsContact O-CB 3.26Å; A31-R35 WeakPolarHBondContact O-CB 3.5Å; A31-R35 PolarHBondContact O-N 3.02Å; A32-R35 PolarHBondContact O-N 3.31Å; M33-R35 VanDerWaalsContact C-N 3.28Å; M33-R35 PolarHBondContact O-N 3.33Å; R35-Y37 VanDerWaalsContact C-N 3.34Å; R35-G38 PolarHBondContact O-N 3.46Å; R35-V41 HydrophobicContact CB-CG2 4.08Å |
| 36 | F | 80 | Confident | 86.3 | Confident | 31 Ų | 31 | 49 Ų | 49 | 14% | 0.136 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.3 | -38.7 | -178.9 | -173.2 | -84.6 | 0 | 0 | 0 | 111.6 | Y9 A32 M33 Q34 D62 H63 H211 N213 P221 | Y9-F36 HydrophobicContact CE1-CB 4.2Å; Y9-F36 WeakPolarHBondContact OH-CB 3.48Å; Y9-F36 WeakPolarHBondContact OH-CD1 3.44Å; Y9-F36 WeakPolarHBondContact OH-CG 3.15Å; A32-F36 WeakPolarHBondContact O-CB 3.34Å; A32-F36 PolarHBondContact O-N 3.37Å; M33-F36 PolarHBondContact O-N 2.96Å; M33-F36 VanDerWaalsContact O-N 3.08Å; Q34-F36 PolarHBondContact O-N 3.39Å; F36-D62 HydrophobicContact CE1-CB 4.22Å; F36-D62 HydrophobicContact CE2-CB 4.5Å; F36-D62 HydrophobicContact CZ-CB 4.17Å; F36-H63 AromaticContact CD2-CE1 3.51Å; F36-H63 AromaticContact CD2-NE2 3.95Å; F36-H63 AromaticContact CE2-CE1 3.96Å; F36-H211 HydrophobicContact CZ-CB 4.11Å; F36-N213 HydrophobicContact CD2-CB 4.37Å; F36-N213 HydrophobicContact CE2-CB 4.25Å; F36-N213 HydrophobicContact CZ-CB 4.34Å; F36-N213 WeakPolarHBondContact O-CB 3.47Å; F36-P221 HydrophobicContact CE1-CG 3.86Å |
| 37 | Y | 77.8 | Confident | 86.6 | Confident | 16 Ų | 16 | 55.6 Ų | 55.6 | 6% | 0.063 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | 3 | -179.5 | -51.3 | -53.4 | 0 | 0 | 0 | 114.9 | W3 Y9 M33 Q34 R35 I39 R57 D62 P221 F222 | W3-Y37 AromaticContact CH2-CE2 3.76Å; W3-Y37 HydrophobicContact CH2-CE2 3.76Å; W3-Y37 WeakPolarHBondContact CH2-OH 3.44Å; Y9-Y37 WeakPolarHBondContact CE2-OH 3.39Å; Y9-Y37 VanDerWaalsContact OH-CZ 3.27Å; Y9-Y37 PolarHBondContact OH-OH 3.26Å; Y9-Y37 VanDerWaalsContact OH-OH 3.12Å; M33-Y37 HydrophobicContact CB-CE2 4.39Å; M33-Y37 HydrophobicContact CE-CD2 3.61Å; M33-Y37 HydrophobicContact CE-CE2 3.48Å; M33-Y37 VanDerWaalsContact CE-CE2 3.48Å; M33-Y37 HydrophobicContact CG-CD2 3.64Å; M33-Y37 HydrophobicContact CG-CE2 3.22Å; M33-Y37 WeakPolarHBondContact O-CD2 3.39Å; M33-Y37 PolarHBondContact O-N 3.5Å; M33-Y37 VanDerWaalsContact O-N 3.14Å; M33-Y37 HydrophobicContact SD-CD2 4.4Å; M33-Y37 HydrophobicContact SD-CE2 4.19Å; Q34-Y37 PolarHBondContact O-N 2.58Å; R35-Y37 VanDerWaalsContact C-N 3.34Å; Y37-I39 PolarHBondContact O-N 3.06Å; Y37-R57 PolarHBondContact OH-NH1 3.5Å; Y37-D62 PolarHBondContact OH-OD2 3.11Å; Y37-P221 HydrophobicContact CE1-CB 4.17Å; Y37-P221 HydrophobicContact CE1-CG 3.9Å; Y37-F222 HydrophobicContact CD1-CD2 4Å; Y37-F222 AromaticContact CD1-CE2 3.6Å; Y37-F222 HydrophobicContact CD1-CE2 3.6Å; Y37-F222 AromaticContact CD2-CE2 3.63Å; Y37-F222 HydrophobicContact CD2-CE2 3.63Å; Y37-F222 HydrophobicContact CD2-CZ 4.26Å; Y37-F222 HydrophobicContact CE1-CD2 4.2Å; Y37-F222 AromaticContact CE1-CE2 3.65Å; Y37-F222 HydrophobicContact CE1-CE2 3.65Å; Y37-F222 HydrophobicContact CE1-CZ 4.48Å; Y37-F222 AromaticContact CE2-CE2 3.58Å; Y37-F222 HydrophobicContact CE2-CE2 3.58Å; Y37-F222 AromaticContact CE2-CZ 3.9Å; Y37-F222 HydrophobicContact CE2-CZ 3.9Å; Y37-F222 HydrophobicContact CG-CD2 4.3Å; Y37-F222 AromaticContact CG-CE2 3.62Å; Y37-F222 HydrophobicContact CG-CE2 3.62Å; Y37-F222 AromaticContact CZ-CE2 3.65Å |
| 38 | G | 79.5 | Confident | 86.6 | Confident | 71 Ų | 71 | 55.2 Ų | 55.2 | 73% | 0.732 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.3 | 23.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q34 R35 | Q34-G38 PolarHBondContact O-N 2.9Å; Q34-G38 VanDerWaalsContact O-N 3.1Å; R35-G38 PolarHBondContact O-N 3.46Å |
| 39 | I | 83.9 | Confident | 86.7 | Confident | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.046 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -90.2 | 158 | 173.1 | 62.1 | 171.7 | 0 | 0 | 0 | 110.3 | M33 Q34 Y37 V41 W52 | M33-I39 HydrophobicContact CE-CD1 4.15Å; Q34-I39 VanDerWaalsContact CA-CG1 3.42Å; Q34-I39 HydrophobicContact CB-CD1 4.2Å; Q34-I39 HydrophobicContact CB-CG1 3.72Å; Q34-I39 HydrophobicContact CG-CD1 3.73Å; Q34-I39 HydrophobicContact CG-CG1 3.79Å; Q34-I39 WeakPolarHBondContact O-CG1 3.44Å; Q34-I39 PolarHBondContact O-N 2.76Å; Y37-I39 PolarHBondContact O-N 3.06Å; I39-V41 PolarHBondContact O-N 3.43Å; I39-V41 VanDerWaalsContact O-N 3.13Å; I39-W52 HydrophobicContact CD1-CB 4.33Å; I39-W52 HydrophobicContact CD1-CG 4.28Å; I39-W52 HydrophobicContact CG2-CD2 3.7Å; I39-W52 HydrophobicContact CG2-CE3 4.29Å; I39-W52 HydrophobicContact CG2-CG 4.02Å; I39-W52 HydrophobicContact CG2-CH2 4.25Å; I39-W52 HydrophobicContact CG2-CZ2 3.69Å |
| 40 | P | 86.3 | Confident | 86.8 | Confident | 91 Ų | 91 | 53.5 Ų | 53.5 | 59% | 0.591 | 31% | 0.305 | S | S | * | . | trans | -51.9 | 121.8 | -177.3 | -28.7 | 36.3 | 0 | 0 | 0 | 112.5 | Q34 T42 | Q34-P40 VanDerWaalsContact CD-O 3.32Å; P40-T42 PolarHBondContact O-N 3.14Å | ||
| 41 | V | 91 | Very high | 86.8 | Confident | 72 Ų | 72 | 61 Ų | 61 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | trans | -82.5 | 88.7 | -175 | -173.2 | 0 | 0 | 0 | 0 | 109.6 | A31 Q34 R35 I39 | A31-V41 HydrophobicContact CB-CG1 3.84Å; Q34-V41 HydrophobicContact CB-CB 4.45Å; Q34-V41 HydrophobicContact CB-CG2 4.15Å; R35-V41 HydrophobicContact CB-CG2 4.08Å; I39-V41 PolarHBondContact O-N 3.43Å; I39-V41 VanDerWaalsContact O-N 3.13Å | ||
| 42 | T | 89.4 | Confident | 86.7 | Confident | 66 Ų | 66 | 63.3 Ų | 63.3 | 41% | 0.405 | 34% | 0.342 | S | S | . | . | trans | -96 | -22.1 | 176.9 | 61.6 | 0 | 0 | 0 | 0 | 112.5 | Q34 P40 L44 D46 | Q34-T42 PolarHBondContact NE2-OG1 2.96Å; P40-T42 PolarHBondContact O-N 3.14Å; T42-L44 PolarHBondContact O-N 3.5Å; T42-L44 PolarHBondContact OG1-N 3.45Å; T42-L44 PolarHBondContact OG1-O 3.41Å; T42-D46 WeakPolarHBondContact CG2-OD2 3.25Å; T42-D46 PolarHBondContact OG1-OD2 2.57Å | ||
| 43 | G | 87.6 | Confident | 86.8 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 8% | 0.082 | 33% | 0.334 | C | S | . | . | S | Bend | trans | 68.2 | 7.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q27 | Q27-G43 VanDerWaalsContact CA-O 3.3Å; Q27-G43 WeakPolarHBondContact CA-O 3.43Å |
| 44 | L | 89.8 | Confident | 86.7 | Confident | 99 Ų | 99 | 72.4 Ų | 72.4 | 52% | 0.518 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -118 | 150 | -176.5 | -60.9 | 176.4 | 0 | 0 | 0 | 110.3 | V30 Q34 T42 D46 | V30-L44 WeakPolarHBondContact CG1-O 3.31Å; Q34-L44 PolarHBondContact NE2-O 3.15Å; T42-L44 PolarHBondContact O-N 3.5Å; T42-L44 PolarHBondContact OG1-N 3.45Å; T42-L44 PolarHBondContact OG1-O 3.41Å; L44-D46 PolarHBondContact O-N 2.9Å |
| 45 | L | 87.4 | Confident | 86.5 | Confident | 87 Ų | 87 | 75.9 Ų | 75.9 | 46% | 0.455 | 38% | 0.383 | S | S | . | . | trans | -77.5 | 67.5 | 171.4 | -85.1 | 153 | 0 | 0 | 0 | 109.9 | V30 T49 V50 M53 | V30-L45 HydrophobicContact CG2-CG 4.2Å; L45-T49 HydrophobicContact CD2-CG2 4.4Å; L45-V50 HydrophobicContact CD2-CG2 4.03Å; L45-M53 HydrophobicContact CD2-CE 4.26Å; L45-M53 HydrophobicContact CD2-SD 3.5Å; L45-M53 VanDerWaalsContact CD2-SD 3.5Å | ||
| 46 | D | 89.2 | Confident | 86.7 | Confident | 47 Ų | 47 | 69.6 Ų | 69.6 | 25% | 0.251 | 36% | 0.364 | S | S | . | . | trans | -73.5 | 165.1 | 172.8 | 57 | 30.9 | 0 | 0 | 0 | 111.9 | T42 L44 T48 T49 V50 | T42-D46 WeakPolarHBondContact CG2-OD2 3.25Å; T42-D46 PolarHBondContact OG1-OD2 2.57Å; L44-D46 PolarHBondContact O-N 2.9Å; D46-T48 PolarHBondContact O-N 2.9Å; D46-T49 PolarHBondContact O-N 3.43Å; D46-T49 WeakPolarHBondContact OD1-CB 3.26Å; D46-T49 PolarHBondContact OD1-N 3.37Å; D46-T49 PolarHBondContact OD1-OG1 3.25Å; D46-V50 WeakPolarHBondContact O-CG2 3.43Å; D46-V50 PolarHBondContact O-N 3.33Å | ||
| 47 | E | 90.8 | Very high | 87.3 | Confident | 178 Ų | 178 | 68.1 Ų | 68.1 | 83% | 0.832 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -55.2 | -37.3 | -178.4 | -67.4 | -175.3 | 169.8 | 0 | 0 | 112.1 | V50 K51 | E47-V50 PolarHBondContact O-N 2.8Å; E47-K51 VanDerWaalsContact O-CB 3.31Å; E47-K51 WeakPolarHBondContact O-CB 3.1Å; E47-K51 PolarHBondContact O-N 3.17Å |
| 48 | T | 88.4 | Confident | 87.9 | Confident | 70 Ų | 70 | 67.7 Ų | 67.7 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -61 | -52.7 | 175 | -56.2 | 0 | 0 | 0 | 0 | 110.7 | D46 V50 K51 W52 | D46-T48 PolarHBondContact O-N 2.9Å; T48-V50 VanDerWaalsContact C-N 3.33Å; T48-V50 PolarHBondContact O-N 3.31Å; T48-K51 WeakPolarHBondContact O-CB 3.18Å; T48-K51 PolarHBondContact O-N 3.15Å; T48-K51 VanDerWaalsContact O-N 3.15Å; T48-W52 PolarHBondContact O-N 3.01Å |
| 49 | T | 88.4 | Confident | 88.2 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -59.3 | -43.8 | 179.8 | -59 | 0 | 0 | 0 | 0 | 111.1 | V30 M33 Q34 L45 D46 K51 W52 M53 | V30-T49 HydrophobicContact CG1-CG2 4.21Å; M33-T49 HydrophobicContact CE-CG2 4.27Å; M33-T49 HydrophobicContact SD-CG2 3.83Å; Q34-T49 HydrophobicContact CG-CG2 4.46Å; Q34-T49 PolarHBondContact NE2-OG1 3.46Å; L45-T49 HydrophobicContact CD2-CG2 4.4Å; D46-T49 PolarHBondContact O-N 3.43Å; D46-T49 WeakPolarHBondContact OD1-CB 3.26Å; D46-T49 PolarHBondContact OD1-N 3.37Å; D46-T49 PolarHBondContact OD1-OG1 3.25Å; T49-K51 PolarHBondContact O-N 2.89Å; T49-W52 PolarHBondContact O-N 3.26Å; T49-M53 HydrophobicContact CG2-SD 4.11Å; T49-M53 VanDerWaalsContact O-CG 3.27Å; T49-M53 WeakPolarHBondContact O-CG 3.43Å; T49-M53 PolarHBondContact O-N 3.02Å |
| 50 | V | 89.6 | Confident | 88.3 | Confident | 47 Ų | 47 | 65 Ų | 65 | 29% | 0.285 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.7 | -40.7 | 177 | 176 | 0 | 0 | 0 | 0 | 111.5 | L45 D46 E47 T48 W52 M53 R54 | L45-V50 HydrophobicContact CD2-CG2 4.03Å; D46-V50 WeakPolarHBondContact O-CG2 3.43Å; D46-V50 PolarHBondContact O-N 3.33Å; E47-V50 PolarHBondContact O-N 2.8Å; T48-V50 VanDerWaalsContact C-N 3.33Å; T48-V50 PolarHBondContact O-N 3.31Å; V50-W52 VanDerWaalsContact C-N 3.31Å; V50-W52 PolarHBondContact O-N 3.49Å; V50-M53 PolarHBondContact O-N 3.06Å; V50-R54 WeakPolarHBondContact O-CG 3.23Å; V50-R54 PolarHBondContact O-N 2.92Å; V50-R54 VanDerWaalsContact O-N 3.17Å |
| 51 | K | 88.1 | Confident | 88.2 | Confident | 161 Ų | 161 | 63 Ų | 63 | 70% | 0.7 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -60.5 | -41.7 | 175 | -174.3 | 178.9 | -178.6 | 179.7 | 0 | 111.4 | E47 T48 T49 R54 | E47-K51 VanDerWaalsContact O-CB 3.31Å; E47-K51 WeakPolarHBondContact O-CB 3.1Å; E47-K51 PolarHBondContact O-N 3.17Å; T48-K51 WeakPolarHBondContact O-CB 3.18Å; T48-K51 PolarHBondContact O-N 3.15Å; T48-K51 VanDerWaalsContact O-N 3.15Å; T49-K51 PolarHBondContact O-N 2.89Å; K51-R54 PolarHBondContact O-N 2.82Å |
| 52 | W | 85.8 | Confident | 87.8 | Confident | 65 Ų | 65 | 60.1 Ų | 60.1 | 25% | 0.246 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.1 | -43.9 | 174.5 | -84 | 91.4 | 0 | 0 | 0 | 112.4 | M33 I39 T48 T49 V50 R54 R55 F222 | M33-W52 HydrophobicContact CE-CB 4.44Å; I39-W52 HydrophobicContact CD1-CB 4.33Å; I39-W52 HydrophobicContact CD1-CG 4.28Å; I39-W52 HydrophobicContact CG2-CD2 3.7Å; I39-W52 HydrophobicContact CG2-CE3 4.29Å; I39-W52 HydrophobicContact CG2-CG 4.02Å; I39-W52 HydrophobicContact CG2-CH2 4.25Å; I39-W52 HydrophobicContact CG2-CZ2 3.69Å; T48-W52 PolarHBondContact O-N 3.01Å; T49-W52 PolarHBondContact O-N 3.26Å; V50-W52 VanDerWaalsContact C-N 3.31Å; V50-W52 PolarHBondContact O-N 3.49Å; W52-R54 PolarHBondContact O-N 3.46Å; W52-R54 VanDerWaalsContact O-N 3.16Å; W52-R55 WeakPolarHBondContact O-CB 3.26Å; W52-R55 PolarHBondContact O-N 3.47Å; W52-F222 AromaticContact CE3-CD2 3.92Å; W52-F222 HydrophobicContact CE3-CD2 3.92Å; W52-F222 AromaticContact CE3-CE2 3.94Å; W52-F222 HydrophobicContact CE3-CE2 3.94Å; W52-F222 HydrophobicContact CE3-CG 4.41Å; W52-F222 HydrophobicContact CE3-CZ 4.48Å; W52-F222 HydrophobicContact CZ3-CD2 4.03Å; W52-F222 HydrophobicContact CZ3-CE2 4.44Å; W52-F222 WeakPolarHBondContact O-CE1 3.44Å; W52-F222 WeakPolarHBondContact O-CZ 3.12Å |
| 53 | M | 87.5 | Confident | 86.8 | Confident | 30 Ų | 30 | 58.4 Ų | 58.4 | 15% | 0.148 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.3 | -22.3 | 178.2 | -70 | 171.1 | 75.2 | 0 | 0 | 114.1 | W3 M33 L45 T49 V50 | W3-M53 HydrophobicContact CB-CE 3.4Å; W3-M53 VanDerWaalsContact CB-CE 3.4Å; W3-M53 HydrophobicContact CD2-CB 4.28Å; W3-M53 HydrophobicContact CD2-CE 3.4Å; W3-M53 HydrophobicContact CD2-CG 3.93Å; W3-M53 HydrophobicContact CD2-SD 4.47Å; W3-M53 HydrophobicContact CE3-CE 3.62Å; W3-M53 HydrophobicContact CE3-CG 4.2Å; W3-M53 HydrophobicContact CG-CB 4.47Å; W3-M53 HydrophobicContact CG-CE 3.3Å; W3-M53 HydrophobicContact CG-CG 4.47Å; W3-M53 HydrophobicContact CH2-CG 4.39Å; W3-M53 HydrophobicContact CZ2-CB 4.34Å; W3-M53 HydrophobicContact CZ2-CG 4.07Å; W3-M53 HydrophobicContact CZ3-CG 4.44Å; W3-M53 PolarHBondContact NE1-O 2.68Å; M33-M53 HydrophobicContact CE-CG 3.6Å; M33-M53 HydrophobicContact SD-CG 4.14Å; L45-M53 HydrophobicContact CD2-CE 4.26Å; L45-M53 HydrophobicContact CD2-SD 3.5Å; L45-M53 VanDerWaalsContact CD2-SD 3.5Å; T49-M53 HydrophobicContact CG2-SD 4.11Å; T49-M53 VanDerWaalsContact O-CG 3.27Å; T49-M53 WeakPolarHBondContact O-CG 3.43Å; T49-M53 PolarHBondContact O-N 3.02Å; V50-M53 PolarHBondContact O-N 3.06Å |
| 54 | R | 87.1 | Confident | 85.1 | Confident | 202 Ų | 202 | 60.2 Ų | 60.2 | 76% | 0.762 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -5.6 | 177.2 | -69.8 | 178.6 | -176.4 | -170.8 | 2.1 | 113.8 | V50 K51 W52 | V50-R54 WeakPolarHBondContact O-CG 3.23Å; V50-R54 PolarHBondContact O-N 2.92Å; V50-R54 VanDerWaalsContact O-N 3.17Å; K51-R54 PolarHBondContact O-N 2.82Å; W52-R54 PolarHBondContact O-N 3.46Å; W52-R54 VanDerWaalsContact O-N 3.16Å |
| 55 | R | 84.9 | Confident | 83.3 | Confident | 73 Ų | 73 | 61.3 Ų | 61.3 | 28% | 0.275 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -70.8 | 145.1 | 177.8 | -71.4 | -178.4 | 63.4 | 178.1 | -1.6 | 110.4 | W52 F222 Y223 | W52-R55 WeakPolarHBondContact O-CB 3.26Å; W52-R55 PolarHBondContact O-N 3.47Å; R55-F222 HydrophobicContact CB-CD1 3.66Å; R55-F222 HydrophobicContact CB-CE1 4.08Å; R55-Y223 PolarHBondContact NH2-O 3.13Å |
| 56 | P | 89.3 | Confident | 81.4 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 24% | 0.24 | 30% | 0.299 | C | S | . | . | trans | -58.7 | 140.9 | 171.9 | 23.1 | -31.3 | 0 | 0 | 0 | 110.8 | G159 L161 Y223 | P56-G159 CarbonylContact C-O 3.5Å; P56-G159 WeakPolarHBondContact CA-O 3.43Å; P56-L161 HydrophobicContact CB-CD1 4.04Å; P56-L161 HydrophobicContact CB-CD2 3.64Å; P56-L161 HydrophobicContact CB-CG 3.93Å; P56-Y223 HydrophobicContact CG-CD1 4.34Å; P56-Y223 WeakPolarHBondContact O-CB 3.42Å; P56-Y223 PolarHBondContact O-N 3.02Å | ||
| 57 | R | 91.3 | Very high | 78.9 | Confident | 1 Ų | 1 | 63.2 Ų | 63.2 | 0% | 0.004 | 32% | 0.32 | C | S | . | . | B | Isolated β-bridge | trans | -155.4 | 166.1 | -175.5 | 62 | 166.7 | -69.6 | 171.8 | 10.7 | 112.7 | Y7 Y37 D62 G159 L161 P221 F222 | Y7-R57 VanDerWaalsContact CZ-CD 3.43Å; Y7-R57 WeakPolarHBondContact OH-CD 3.21Å; Y37-R57 PolarHBondContact OH-NH1 3.5Å; R57-D62 IonicContact CZ-OD1 3.7Å; R57-D62 IonicContact CZ-OD2 2.76Å; R57-D62 IonicContact NH1-OD2 3.08Å; R57-D62 PolarHBondContact NH1-OD2 2.94Å; R57-D62 VanDerWaalsContact NH1-OD2 3.16Å; R57-D62 VanDerWaalsContact NH2-CG 3.32Å; R57-D62 IonicContact NH2-OD1 3.57Å; R57-D62 PolarHBondContact NH2-OD1 3.31Å; R57-D62 IonicContact NH2-OD2 3.37Å; R57-D62 PolarHBondContact NH2-OD2 2.92Å; R57-G159 PolarHBondContact N-O 3.37Å; R57-G159 VanDerWaalsContact O-O 3.09Å; R57-L161 PolarHBondContact O-N 3.48Å; R57-P221 CarbonylContact C-O 3.51Å; R57-P221 WeakPolarHBondContact CA-O 3.24Å; R57-P221 WeakPolarHBondContact CB-O 3.46Å; R57-F222 HydrophobicContact CB-CD1 3.75Å; R57-F222 HydrophobicContact CB-CE1 4.19Å; R57-F222 HydrophobicContact CB-CG 4.43Å; R57-F222 HydrophobicContact CG-CD1 4.44Å; R57-F222 HydrophobicContact CG-CE1 4.41Å |
| 58 | C | 90.6 | Very high | 76.3 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.041 | 32% | 0.323 | C | S | . | . | trans | -66.6 | 144 | 165.4 | 178.7 | 0 | 0 | 0 | 0 | 110.5 | V60 H201 E202 H211 P221 | C58-V60 PolarHBondContact SG-N 3.4Å; C58-V60 VanDerWaalsContact SG-N 3.37Å; C58-H201 VanDerWaalsContact CB-NE2 3.26Å; C58-H201 WeakPolarHBondContact CB-NE2 3.27Å; C58-E202 PolarHBondContact SG-OE1 3.25Å; C58-E202 PolarHBondContact SG-OE2 3.13Å; C58-E202 VanDerWaalsContact SG-OE2 3.35Å; C58-H211 WeakPolarHBondContact CB-NE2 3.31Å; C58-P221 PolarHBondContact N-O 3.47Å | ||
| 59 | G | 86.1 | Confident | 73.9 | Confident | 15 Ų | 15 | 74.8 Ų | 74.8 | 16% | 0.155 | 35% | 0.348 | C | S | . | . | trans | -87.8 | -2.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | F160 A162 | G59-F160 VanDerWaalsContact CA-CD2 3.44Å; G59-A162 PolarHBondContact N-O 3.2Å; G59-A162 VanDerWaalsContact N-O 3.13Å | ||
| 60 | V | 86.5 | Confident | 71.8 | Confident | 10 Ų | 10 | 82 Ų | 82 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | S | Bend | trans | -63.1 | 135.9 | 172.2 | 177.5 | 0 | 0 | 0 | 0 | 109.4 | C58 H163 F166 H211 | C58-V60 PolarHBondContact SG-N 3.4Å; C58-V60 VanDerWaalsContact SG-N 3.37Å; V60-H163 HydrophobicContact CG2-CB 4.11Å; V60-F166 HydrophobicContact CG1-CE2 4.42Å; V60-F166 HydrophobicContact CG1-CZ 3.92Å; V60-H211 PolarHBondContact O-CE1 3.18Å; V60-H211 PolarHBondContact O-ND1 2.85Å |
| 61 | P | 83.3 | Confident | 69.5 | Low | 49 Ų | 49 | 90.8 Ų | 90.8 | 32% | 0.318 | 41% | 0.41 | S | S | . | . | trans | -64.8 | 140.3 | 177.3 | -23 | 33.5 | 0 | 0 | 0 | 112.5 | H63 | P61-H63 PolarHBondContact O-N 2.94Š| ||
| 62 | D | 82 | Confident | 67.3 | Low | 11 Ų | 11 | 90.8 Ų | 90.8 | 6% | 0.059 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -69.4 | -23.9 | 178 | -56.1 | -50.2 | 0 | 0 | 0 | 112.3 | Y7 Y9 F36 Y37 R57 H211 P221 | Y7-D62 PolarHBondContact O-N 3.12Å; Y9-D62 HydrophobicContact CE2-CB 4.21Å; Y9-D62 VanDerWaalsContact CE2-OD2 3.25Å; Y9-D62 WeakPolarHBondContact CE2-OD2 3.31Å; Y9-D62 WeakPolarHBondContact OH-CB 3.33Å; Y9-D62 PolarHBondContact OH-OD2 2.96Å; F36-D62 HydrophobicContact CE1-CB 4.22Å; F36-D62 HydrophobicContact CE2-CB 4.5Å; F36-D62 HydrophobicContact CZ-CB 4.17Å; Y37-D62 PolarHBondContact OH-OD2 3.11Å; R57-D62 IonicContact CZ-OD1 3.7Å; R57-D62 IonicContact CZ-OD2 2.76Å; R57-D62 IonicContact NH1-OD2 3.08Å; R57-D62 PolarHBondContact NH1-OD2 2.94Å; R57-D62 VanDerWaalsContact NH1-OD2 3.16Å; R57-D62 VanDerWaalsContact NH2-CG 3.32Å; R57-D62 IonicContact NH2-OD1 3.57Å; R57-D62 PolarHBondContact NH2-OD1 3.31Å; R57-D62 IonicContact NH2-OD2 3.37Å; R57-D62 PolarHBondContact NH2-OD2 2.92Å; D62-H211 IonicContact OD1-CE1 3.81Å; D62-H211 PolarHBondContact OD1-CE1 3.19Å; D62-H211 IonicContact OD1-CG 3.16Å; D62-H211 IonicContact OD1-ND1 3.04Å; D62-H211 PolarHBondContact OD1-ND1 3.21Å; D62-P221 WeakPolarHBondContact OD1-CG 3.3Å |
| 63 | H | 68.8 | Low | 65.6 | Low | 29 Ų | 29 | 94.2 Ų | 94.2 | 13% | 0.134 | 43% | 0.434 | C | S | . | . | trans | -133.2 | 73.3 | -177.2 | -64.8 | 84 | 0 | 0 | 0 | 111.1 | Y9 F36 P61 H65 T66 Q70 | Y9-H63 AromaticContact CD1-ND1 4Å; Y9-H63 AromaticContact CE1-CE1 3.43Å; Y9-H63 VanDerWaalsContact CE1-CE1 3.43Å; Y9-H63 WeakPolarHBondContact CE1-CE1 3.33Å; Y9-H63 AromaticContact CE1-ND1 3.51Å; Y9-H63 AromaticContact CZ-CE1 3.96Å; Y9-H63 AromaticContact CZ-ND1 3.85Å; F36-H63 AromaticContact CD2-CE1 3.51Å; F36-H63 AromaticContact CD2-NE2 3.95Å; F36-H63 AromaticContact CE2-CE1 3.96Å; P61-H63 PolarHBondContact O-N 2.94Å; H63-H65 PolarHBondContact O-N 3.09Å; H63-T66 HydrophobicContact CB-CG2 4.24Å; H63-Q70 PolarHBondContact CD2-NE2 2.8Å; H63-Q70 PolarHBondContact NE2-NE2 2.91Å; H63-Q70 VanDerWaalsContact NE2-NE2 3.15Å | ||
| 64 | P | 53.4 | Low | 63.7 | Low | 47 Ų | 47 | 102 Ų | 102 | 31% | 0.305 | 46% | 0.462 | S | S | . | . | S | Bend | trans | -69.6 | -17.4 | -176 | 27.4 | -33.5 | 0 | 0 | 0 | 113.4 | ||
| 65 | H | 51.1 | Low | 62.2 | Low | 121 Ų | 121 | 93.7 Ų | 93.7 | 56% | 0.56 | 43% | 0.431 | S | S | * | . | trans | -126.2 | 69 | -175.1 | -60.9 | -45.4 | 0 | 0 | 0 | 112.7 | H63 S67 | H63-H65 PolarHBondContact O-N 3.09Å; H65-S67 PolarHBondContact O-N 3.43Å | ||
| 66 | T | 48.1 | Very low | 60.9 | Low | 76 Ų | 76 | 91.1 Ų | 91.1 | 47% | 0.466 | 43% | 0.425 | S | S | . | . | trans | -77.3 | 60.9 | 170.1 | 38.2 | 0 | 0 | 0 | 0 | 111.5 | L11 H63 | L11-T66 HydrophobicContact CD2-CG2 4.04Å; L11-T66 WeakPolarHBondContact CD2-OG1 3.48Å; H63-T66 HydrophobicContact CB-CG2 4.24Å | ||
| 67 | S | 37.1 | Very low | 59.6 | Low | 99 Ų | 99 | 90.4 Ų | 90.4 | 69% | 0.692 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -140.1 | 113.2 | 156.4 | 73.3 | 0 | 0 | 0 | 0 | 110.5 | H65 | H65-S67 PolarHBondContact O-N 3.43Š|
| 68 | R | 35.8 | Very low | 58 | Low | 240 Ų | 240 | 91.2 Ų | 91.2 | 91% | 0.906 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 84.2 | 118.7 | 172.1 | -59.3 | 177.9 | 168.7 | 173.9 | -2.2 | 117.4 | Q70 | R68-Q70 PolarHBondContact O-N 3.24Š|
| 69 | R | 38 | Very low | 56.8 | Low | 250 Ų | 250 | 94.5 Ų | 94.5 | 94% | 0.943 | 46% | 0.459 | S | S | * | . | trans | 23 | 92 | 155.8 | -70.7 | -176.7 | 175.6 | 179.2 | -1.8 | 114.7 | R71 | R69-R71 PolarHBondContact O-N 2.99Š| ||
| 70 | Q | 44.3 | Very low | 56.4 | Low | 154 Ų | 154 | 97.4 Ų | 97.4 | 72% | 0.72 | 47% | 0.469 | S | S | * | . | trans | -59.4 | 109.6 | 165.8 | -77.8 | 174.9 | -48.2 | 0 | 0 | 109.6 | H63 R68 | H63-Q70 PolarHBondContact CD2-NE2 2.8Å; H63-Q70 PolarHBondContact NE2-NE2 2.91Å; H63-Q70 VanDerWaalsContact NE2-NE2 3.15Å; R68-Q70 PolarHBondContact O-N 3.24Å | ||
| 71 | R | 40 | Very low | 56.4 | Low | 230 Ų | 230 | 102.9 Ų | 102.9 | 87% | 0.868 | 49% | 0.492 | S | S | * | . | trans | -80.6 | 126.1 | 156.1 | -162 | 179.7 | -161.7 | -177.7 | 4.4 | 105.5 | R69 K73 | R69-R71 PolarHBondContact O-N 2.99Å; R71-K73 PolarHBondContact O-N 3.17Å | ||
| 72 | N | 43.4 | Very low | 56.8 | Low | 162 Ų | 162 | 102.1 Ų | 102.1 | 87% | 0.866 | 48% | 0.482 | S | S | * | . | trans | -51.9 | 106.8 | 175 | -73.9 | -5.3 | 0 | 0 | 0 | 109 | ||||
| 73 | K | 50 | Low | 57.1 | Low | 136 Ų | 136 | 113.2 Ų | 113.2 | 59% | 0.591 | 52% | 0.523 | S | S | * | . | trans | -81.5 | 145.1 | 169.9 | -67.3 | 179.7 | -177.4 | 170.4 | 0 | 107 | R71 Y75 L77 | R71-K73 PolarHBondContact O-N 3.17Å; K73-Y75 WeakPolarHBondContact CB-O 3.3Å; K73-Y75 PolarHBondContact O-N 2.9Å; K73-L77 PolarHBondContact NZ-O 3.4Å | ||
| 74 | R | 46.2 | Very low | 58 | Low | 195 Ų | 195 | 117.9 Ų | 117.9 | 74% | 0.736 | 55% | 0.546 | S | S | * | . | S | Bend | trans | -68.3 | -21.4 | 178.2 | -164.3 | 174.8 | -172 | 179.9 | 3.5 | 113.1 | ||
| 75 | Y | 56.8 | Low | 59.7 | Low | 26 Ų | 26 | 121.9 Ų | 121.9 | 10% | 0.102 | 56% | 0.558 | C | S | . | * | S | Bend | trans | -145.8 | 156.4 | 178.6 | -42.1 | -79.3 | 0 | 0 | 0 | 109.2 | K73 L77 D236 Q239 K243 | K73-Y75 WeakPolarHBondContact CB-O 3.3Å; K73-Y75 PolarHBondContact O-N 2.9Å; Y75-L77 PolarHBondContact O-N 3.4Å; Y75-D236 WeakPolarHBondContact CD1-OD1 3.28Å; Y75-Q239 HydrophobicContact CD1-CB 4.04Å; Y75-Q239 HydrophobicContact CE1-CB 3.38Å; Y75-Q239 HydrophobicContact CE1-CG 4.23Å; Y75-Q239 HydrophobicContact CE2-CB 4.38Å; Y75-Q239 VanDerWaalsContact OH-CD 3.3Å; Y75-Q239 PolarHBondContact OH-OE1 3.48Å; Y75-K243 HydrophobicContact CD2-CD 3.98Å; Y75-K243 HydrophobicContact CE2-CD 4.35Å |
| 76 | A | 57.9 | Low | 61.7 | Low | 19 Ų | 19 | 123 Ų | 123 | 16% | 0.157 | 56% | 0.557 | C | S | . | * | trans | -86.4 | 107.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | E210 H211 | A76-E210 HydrophobicContact CB-CB 3.53Å; A76-E210 WeakPolarHBondContact CB-O 3.45Å; A76-E210 PolarHBondContact O-N 3.45Å; A76-H211 WeakPolarHBondContact CB-O 3.36Å | ||
| 77 | L | 60.9 | Low | 63.9 | Low | 22 Ų | 22 | 119.4 Ų | 119.4 | 12% | 0.115 | 54% | 0.535 | C | S | . | . | B | Isolated β-bridge | trans | -137.4 | 123.5 | -171.7 | -61.9 | 178.5 | 0 | 0 | 0 | 110 | K73 Y75 G79 L209 E210 K243 I244 | K73-L77 PolarHBondContact NZ-O 3.4Å; Y75-L77 PolarHBondContact O-N 3.4Å; L77-G79 VanDerWaalsContact C-N 3.33Å; L77-G79 PolarHBondContact O-N 2.89Å; L77-L209 HydrophobicContact CD2-CD2 3.91Å; L77-E210 VanDerWaalsContact C-CD 3.43Å; L77-E210 PolarHBondContact N-OE2 2.57Å; L77-E210 VanDerWaalsContact N-OE2 3.16Å; L77-K243 HydrophobicContact CD1-CB 4.42Å; L77-K243 HydrophobicContact CD1-CD 3.71Å; L77-K243 HydrophobicContact CD1-CG 3.95Å; L77-I244 HydrophobicContact CD2-CD1 3.68Å; L77-I244 HydrophobicContact CD2-CG1 3.63Å |
| 78 | T | 58.1 | Low | 66.6 | Low | 19 Ų | 19 | 116 Ų | 116 | 12% | 0.117 | 51% | 0.511 | C | S | . | . | trans | -67.9 | -32.1 | 177.9 | 56.6 | 0 | 0 | 0 | 0 | 113.1 | Q80 F166 G208 E210 | T78-Q80 VanDerWaalsContact C-N 3.29Å; T78-Q80 PolarHBondContact OG1-N 3.45Å; T78-Q80 PolarHBondContact OG1-O 2.92Å; T78-F166 HydrophobicContact CG2-CD1 3.32Å; T78-F166 HydrophobicContact CG2-CD2 3.91Å; T78-F166 HydrophobicContact CG2-CE1 3.21Å; T78-F166 HydrophobicContact CG2-CE2 3.79Å; T78-F166 HydrophobicContact CG2-CG 3.68Å; T78-F166 HydrophobicContact CG2-CZ 3.45Å; T78-F166 VanDerWaalsContact CG2-CZ 3.45Å; T78-G208 PolarHBondContact N-O 2.91Å; T78-G208 PolarHBondContact OG1-O 3.23Å; T78-E210 WeakPolarHBondContact CA-OE1 3.38Å; T78-E210 HydrophobicContact CG2-CG 3.36Å | ||
| 79 | G | 66.1 | Low | 69.3 | Low | 75 Ų | 75 | 105.2 Ų | 105.2 | 77% | 0.773 | 47% | 0.47 | S | S | * | . | S | Bend | trans | 85.3 | -1.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114 | L77 | L77-G79 VanDerWaalsContact C-N 3.33Å; L77-G79 PolarHBondContact O-N 2.89Å |
| 80 | Q | 76.1 | Confident | 71.9 | Confident | 76 Ų | 76 | 94.6 Ų | 94.6 | 36% | 0.355 | 43% | 0.43 | S | S | . | . | trans | -90.3 | 138.9 | 169.6 | -59.4 | -179.5 | 14.2 | 0 | 0 | 109.1 | T78 P167 | T78-Q80 VanDerWaalsContact C-N 3.29Å; T78-Q80 PolarHBondContact OG1-N 3.45Å; T78-Q80 PolarHBondContact OG1-O 2.92Å; Q80-P167 PolarHBondContact OE1-O 3.45Å | ||
| 81 | K | 88 | Confident | 74.2 | Confident | 124 Ų | 124 | 87.7 Ų | 87.7 | 54% | 0.539 | 40% | 0.398 | S | S | . | . | trans | -152.8 | 151.5 | 180 | 71.1 | 173.6 | -174 | 172.4 | 0 | 111.5 | R83 I244 Y245 | K81-R83 PolarHBondContact O-N 3.05Å; K81-I244 HydrophobicContact CB-CG2 3.47Å; K81-I244 VanDerWaalsContact CB-CG2 3.47Å; K81-I244 HydrophobicContact CD-CG2 4.04Å; K81-I244 HydrophobicContact CG-CG2 4.42Å; K81-Y245 HydrophobicContact CB-CE1 4.11Å | ||
| 82 | W | 90.6 | Very high | 76.6 | Confident | 33 Ų | 33 | 78.4 Ų | 78.4 | 13% | 0.125 | 37% | 0.368 | C | S | . | . | trans | -63.6 | 133 | 168.7 | -65.5 | 105 | 0 | 0 | 0 | 110.4 | I87 D138 I139 P167 G172 A206 Y245 | W82-I87 HydrophobicContact CB-CD1 3.84Å; W82-I87 HydrophobicContact CB-CG1 4.32Å; W82-I87 VanDerWaalsContact CD1-CD1 3.47Å; W82-I87 HydrophobicContact CD2-CD1 4.26Å; W82-I87 HydrophobicContact CG-CD1 3.56Å; W82-I87 HydrophobicContact CG-CG1 4.16Å; W82-D138 HydrophobicContact CH2-CB 3.96Å; W82-D138 WeakPolarHBondContact CH2-O 3.37Å; W82-D138 HydrophobicContact CZ3-CB 4.06Å; W82-I139 HydrophobicContact CZ2-CG1 4.1Å; W82-P167 HydrophobicContact CD2-CB 3.97Å; W82-P167 HydrophobicContact CG-CB 4.06Å; W82-P167 HydrophobicContact CG-CG 4.49Å; W82-P167 HydrophobicContact CZ2-CB 4.24Å; W82-G172 VanDerWaalsContact CH2-O 3.27Å; W82-G172 WeakPolarHBondContact CH2-O 3.46Å; W82-A206 PolarHBondContact NE1-O 3.08Å; W82-Y245 HydrophobicContact CB-CE1 4.17Å; W82-Y245 PolarHBondContact N-OH 2.65Å; W82-Y245 VanDerWaalsContact N-OH 3.09Å | ||
| 83 | R | 87.9 | Confident | 78.9 | Confident | 244 Ų | 244 | 73.8 Ų | 73.8 | 92% | 0.921 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -79.7 | -35.5 | 175.5 | -65 | -175.5 | -178.8 | -171.2 | 2.2 | 111.1 | K81 | K81-R83 PolarHBondContact O-N 3.05Š|
| 84 | E | 87.4 | Confident | 80.9 | Confident | 128 Ų | 128 | 72.3 Ų | 72.3 | 60% | 0.598 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -85.7 | 146.3 | 177.6 | -58.1 | -165.4 | -171.5 | 0 | 0 | 110.2 | ||
| 85 | K | 89.3 | Confident | 83.1 | Confident | 130 Ų | 130 | 63 Ų | 63 | 57% | 0.565 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -85.9 | -25.4 | 175.5 | -66.3 | -174.5 | 179.5 | -177 | 0 | 112.3 | L120 S121 | K85-L120 HydrophobicContact CB-CD2 4.47Å; K85-L120 CarbonylContact O-C 3.51Å; K85-L120 VanDerWaalsContact O-CA 3.24Å; K85-L120 WeakPolarHBondContact O-CA 3.32Å; K85-S121 PolarHBondContact O-N 2.98Å |
| 86 | R | 93.6 | Very high | 84.7 | Confident | 144 Ų | 144 | 67 Ų | 67 | 54% | 0.543 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 115.5 | 176.4 | -174.1 | 175.4 | 67.1 | 137.4 | -2.4 | 107.7 | S121 Q123 | R86-S121 CarbonylContact C-O 3.6Å; R86-S121 WeakPolarHBondContact CA-O 3.1Å; R86-S121 WeakPolarHBondContact CA-OG 3.14Å; R86-Q123 VanDerWaalsContact NH1-OE1 3.12Å |
| 87 | I | 94.1 | Very high | 86.3 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 130.1 | -177 | -59.4 | 168.6 | 0 | 0 | 0 | 107.3 | W82 L120 S121 F122 Q123 D138 I139 L207 | W82-I87 HydrophobicContact CB-CD1 3.84Å; W82-I87 HydrophobicContact CB-CG1 4.32Å; W82-I87 VanDerWaalsContact CD1-CD1 3.47Å; W82-I87 HydrophobicContact CD2-CD1 4.26Å; W82-I87 HydrophobicContact CG-CD1 3.56Å; W82-I87 HydrophobicContact CG-CG1 4.16Å; I87-L120 HydrophobicContact CD1-CD1 4.01Å; I87-L120 HydrophobicContact CD1-CD2 4.1Å; I87-L120 HydrophobicContact CD1-CG 4.5Å; I87-S121 PolarHBondContact N-O 2.97Å; I87-F122 HydrophobicContact CB-CD1 3.93Å; I87-F122 HydrophobicContact CB-CE1 4.07Å; I87-F122 HydrophobicContact CD1-CE1 3.84Å; I87-F122 HydrophobicContact CG2-CD1 4.24Å; I87-F122 HydrophobicContact CG2-CE1 4.33Å; I87-F122 VanDerWaalsContact O-CA 3.3Å; I87-F122 WeakPolarHBondContact O-CA 3.48Å; I87-Q123 PolarHBondContact O-N 3.18Å; I87-D138 HydrophobicContact CG2-CB 3.82Å; I87-I139 HydrophobicContact CG2-CD1 3.76Å; I87-I139 HydrophobicContact CG2-CG1 4.13Å; I87-L207 HydrophobicContact CD1-CD2 4.05Å |
| 88 | T | 93.3 | Very high | 87.8 | Confident | 29 Ų | 29 | 71 Ų | 71 | 18% | 0.178 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 142.8 | 176 | 58.5 | 0 | 0 | 0 | 0 | 110.4 | Q123 V125 D138 I139 | T88-Q123 CarbonylContact C-O 3.5Å; T88-Q123 VanDerWaalsContact CA-O 3.28Å; T88-Q123 WeakPolarHBondContact CA-O 3.45Å; T88-Q123 HydrophobicContact CG2-CB 4.49Å; T88-V125 HydrophobicContact CG2-CG1 4.34Å; T88-D138 PolarHBondContact N-OD2 3.49Å; T88-D138 WeakPolarHBondContact O-CB 3.1Å; T88-D138 PolarHBondContact O-N 3.02Å; T88-D138 VanDerWaalsContact O-N 3.12Å; T88-D138 PolarHBondContact OG1-N 3.39Å; T88-D138 VanDerWaalsContact OG1-N 3.13Å; T88-D138 PolarHBondContact OG1-OD2 3.12Å; T88-I139 PolarHBondContact O-N 2.92Å |
| 89 | Y | 94.4 | Very high | 89.5 | Confident | 13 Ų | 13 | 71.1 Ų | 71.1 | 5% | 0.051 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 154.6 | 174.3 | 73.3 | -87.2 | 0 | 0 | 0 | 111.8 | I91 I107 R108 F111 F122 Q123 E124 V125 I139 I141 | Y89-I91 HydrophobicContact CD2-CG1 4.37Å; Y89-I91 HydrophobicContact CE2-CD1 4.25Å; Y89-I91 HydrophobicContact CE2-CG1 4.27Å; Y89-I107 HydrophobicContact CE2-CG2 4.36Å; Y89-R108 WeakPolarHBondContact OH-CG 3.46Å; Y89-F111 HydrophobicContact CD1-CD1 4.42Å; Y89-F111 AromaticContact CD1-CD2 3.99Å; Y89-F111 HydrophobicContact CD1-CD2 3.99Å; Y89-F111 HydrophobicContact CD1-CE1 4.17Å; Y89-F111 AromaticContact CD1-CE2 3.72Å; Y89-F111 HydrophobicContact CD1-CE2 3.72Å; Y89-F111 HydrophobicContact CD1-CG 4.34Å; Y89-F111 AromaticContact CD1-CZ 3.81Å; Y89-F111 HydrophobicContact CD1-CZ 3.81Å; Y89-F111 AromaticContact CD2-CD2 3.98Å; Y89-F111 HydrophobicContact CD2-CD2 3.98Å; Y89-F111 AromaticContact CD2-CE2 3.29Å; Y89-F111 HydrophobicContact CD2-CE2 3.29Å; Y89-F111 AromaticContact CD2-CZ 3.85Å; Y89-F111 HydrophobicContact CD2-CZ 3.85Å; Y89-F111 AromaticContact CE1-CD2 3.74Å; Y89-F111 HydrophobicContact CE1-CD2 3.74Å; Y89-F111 AromaticContact CE1-CE2 3.92Å; Y89-F111 HydrophobicContact CE1-CE2 3.92Å; Y89-F111 HydrophobicContact CE1-CG 4.09Å; Y89-F111 HydrophobicContact CE1-CZ 4.4Å; Y89-F111 AromaticContact CE2-CD2 3.73Å; Y89-F111 HydrophobicContact CE2-CD2 3.73Å; Y89-F111 AromaticContact CE2-CE2 3.51Å; Y89-F111 HydrophobicContact CE2-CE2 3.51Å; Y89-F111 HydrophobicContact CE2-CZ 4.44Å; Y89-F111 HydrophobicContact CG-CD2 4.09Å; Y89-F111 HydrophobicContact CG-CE1 4.26Å; Y89-F111 AromaticContact CG-CE2 3.38Å; Y89-F111 HydrophobicContact CG-CE2 3.38Å; Y89-F111 AromaticContact CG-CZ 3.47Å; Y89-F111 HydrophobicContact CG-CZ 3.47Å; Y89-F111 VanDerWaalsContact CG-CZ 3.47Å; Y89-F111 AromaticContact CZ-CD2 3.58Å; Y89-F111 AromaticContact CZ-CE2 3.8Å; Y89-F122 HydrophobicContact CD1-CB 4.03Å; Y89-F122 HydrophobicContact CE1-CB 3.91Å; Y89-Q123 PolarHBondContact N-O 3.15Å; Y89-E124 HydrophobicContact CD2-CB 4.47Å; Y89-E124 HydrophobicContact CD2-CG 4.29Å; Y89-E124 HydrophobicContact CE1-CB 3.95Å; Y89-E124 HydrophobicContact CE2-CB 3.84Å; Y89-E124 HydrophobicContact CE2-CG 3.73Å; Y89-E124 CarbonylContact O-C 3.55Å; Y89-E124 VanDerWaalsContact O-CA 3.3Å; Y89-E124 WeakPolarHBondContact O-CA 3.26Å; Y89-V125 WeakPolarHBondContact O-CG2 3.46Å; Y89-V125 PolarHBondContact O-N 3.04Å; Y89-I139 CarbonylContact C-O 3.57Å; Y89-I139 WeakPolarHBondContact CA-O 3.4Å; Y89-I139 WeakPolarHBondContact CB-O 3.3Å; Y89-I141 HydrophobicContact CD2-CD1 4.28Å |
| 90 | R | 91.3 | Very high | 90.8 | Very high | 27 Ų | 27 | 72.5 Ų | 72.5 | 10% | 0.102 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 134.7 | 179.1 | -174.4 | 167.5 | 59 | 74.8 | 8.3 | 110.4 | S92 V125 N127 D136 A137 I139 I141 | R90-S92 PolarHBondContact NH1-OG 2.53Å; R90-V125 HydrophobicContact CB-CG2 3.93Å; R90-V125 HydrophobicContact CG-CG2 4.47Å; R90-N127 PolarHBondContact NH1-OD1 2.92Å; R90-D136 IonicContact CZ-OD1 3.23Å; R90-D136 IonicContact NE-OD1 3.74Å; R90-D136 IonicContact NH2-OD1 3.67Å; R90-D136 PolarHBondContact NH2-OD1 3.33Å; R90-D136 VanDerWaalsContact NH2-OD1 3.1Å; R90-A137 HydrophobicContact CB-CB 3.79Å; R90-I139 PolarHBondContact N-O 3.37Å; R90-I141 PolarHBondContact O-N 2.86Å |
| 91 | I | 93.6 | Very high | 91.6 | Very high | 9 Ų | 9 | 77.3 Ų | 77.3 | 5% | 0.046 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 107.5 | 170.9 | -57.8 | 169.7 | 0 | 0 | 0 | 106.8 | Y89 N93 H104 I107 | Y89-I91 HydrophobicContact CD2-CG1 4.37Å; Y89-I91 HydrophobicContact CE2-CD1 4.25Å; Y89-I91 HydrophobicContact CE2-CG1 4.27Å; I91-N93 VanDerWaalsContact CG2-O 3.24Å; I91-N93 WeakPolarHBondContact CG2-O 3.43Å; I91-H104 HydrophobicContact CD1-CB 4.26Å; I91-H104 WeakPolarHBondContact CD1-ND1 3.32Å; I91-I107 HydrophobicContact CD1-CB 3.99Å; I91-I107 HydrophobicContact CD1-CD1 3.94Å; I91-I107 HydrophobicContact CD1-CG2 3.77Å; I91-I107 HydrophobicContact CG1-CD1 4.12Å; I91-I107 HydrophobicContact CG1-CG2 4.11Å; I91-I107 HydrophobicContact CG2-CD1 4.17Å |
| 92 | S | 89.6 | Confident | 91.9 | Very high | 35 Ų | 35 | 74.2 Ų | 74.2 | 25% | 0.245 | 34% | 0.344 | C | S | . | . | trans | -77 | -36.3 | -174.2 | -57.4 | 0 | 0 | 0 | 0 | 112.7 | R90 N127 I140 I141 | R90-S92 PolarHBondContact NH1-OG 2.53Å; S92-N127 PolarHBondContact O-ND2 3.06Å; S92-I140 WeakPolarHBondContact OG-CG2 3.45Å; S92-I141 PolarHBondContact N-O 3.48Å | ||
| 93 | N | 91.2 | Very high | 92.2 | Very high | 64 Ų | 64 | 72.6 Ų | 72.6 | 34% | 0.342 | 34% | 0.338 | S | S | . | . | trans | -153.5 | 179.1 | 177.5 | 68.8 | -5.6 | 0 | 0 | 0 | 109.9 | I91 F142 F143 | I91-N93 VanDerWaalsContact CG2-O 3.24Å; I91-N93 WeakPolarHBondContact CG2-O 3.43Å; N93-F142 VanDerWaalsContact OD1-CA 3.23Å; N93-F142 WeakPolarHBondContact OD1-CA 3.39Å; N93-F142 VanDerWaalsContact OD1-CB 3.31Å; N93-F142 WeakPolarHBondContact OD1-CB 3.43Å; N93-F143 PolarHBondContact ND2-O 3.02Å; N93-F143 WeakPolarHBondContact O-CD2 3.38Å; N93-F143 PolarHBondContact OD1-N 3.2Å | ||
| 94 | Y | 93.3 | Very high | 92.5 | Very high | 105 Ų | 105 | 62.4 Ų | 62.4 | 41% | 0.412 | 30% | 0.301 | S | S | . | . | trans | -132.5 | 163.4 | -176.7 | 61.9 | -92.9 | 0 | 0 | 0 | 111.6 | E100 | Y94-E100 HydrophobicContact CD1-CB 3.72Å; Y94-E100 HydrophobicContact CD1-CG 3.59Å; Y94-E100 HydrophobicContact CD2-CB 3.84Å; Y94-E100 HydrophobicContact CE1-CB 3.86Å; Y94-E100 HydrophobicContact CE1-CG 3.89Å; Y94-E100 HydrophobicContact CE2-CB 4Å; Y94-E100 HydrophobicContact CG-CB 3.71Å; Y94-E100 HydrophobicContact CG-CG 3.98Å | ||
| 95 | T | 92.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | trans | -88.1 | 126.8 | 172.7 | 170.5 | 0 | 0 | 0 | 0 | 110.7 | K97 V98 G99 T103 F143 W183 L195 | T95-K97 PolarHBondContact O-N 3.04Å; T95-K97 PolarHBondContact OG1-N 3.15Å; T95-V98 HydrophobicContact CG2-CG2 3.53Å; T95-G99 PolarHBondContact O-N 3.16Å; T95-T103 HydrophobicContact CG2-CG2 4.43Å; T95-T103 WeakPolarHBondContact CG2-OG1 3.43Å; T95-F143 HydrophobicContact CG2-CD1 4.03Å; T95-F143 HydrophobicContact CG2-CE1 3.6Å; T95-F143 HydrophobicContact CG2-CZ 3.91Å; T95-W183 HydrophobicContact CG2-CB 4.32Å; T95-W183 HydrophobicContact CG2-CG 4.3Å; T95-L195 HydrophobicContact CG2-CD2 4.07Å | ||
| 96 | P | 91 | Very high | 93.2 | Very high | 108 Ų | 108 | 56.8 Ų | 56.8 | 70% | 0.701 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.6 | 178.4 | 27.5 | -34.1 | 0 | 0 | 0 | 113 | ||
| 97 | K | 91 | Very high | 93.3 | Very high | 100 Ų | 100 | 50 Ų | 50 | 44% | 0.435 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -37 | -177.7 | -70.2 | 167.9 | 173.6 | 154.3 | 0 | 113 | T95 S179 D180 E181 W183 | T95-K97 PolarHBondContact O-N 3.04Å; T95-K97 PolarHBondContact OG1-N 3.15Å; K97-S179 PolarHBondContact NZ-O 3.13Å; K97-D180 PolarHBondContact NZ-O 2.84Å; K97-E181 WeakPolarHBondContact CD-O 3.39Å; K97-E181 WeakPolarHBondContact CE-O 3.3Å; K97-E181 PolarHBondContact NZ-O 2.95Å; K97-W183 HydrophobicContact CB-CB 4.26Å; K97-W183 HydrophobicContact CD-CB 4.47Å |
| 98 | V | 92.1 | Very high | 93.4 | Very high | 25 Ų | 25 | 55 Ų | 55 | 15% | 0.152 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -13.1 | 173.1 | -59.1 | 0 | 0 | 0 | 0 | 112.7 | T95 T103 W183 L185 L195 | T95-V98 HydrophobicContact CG2-CG2 3.53Å; V98-T103 WeakPolarHBondContact CG2-OG1 3.48Å; V98-W183 HydrophobicContact CG1-CB 4.26Å; V98-W183 WeakPolarHBondContact CG1-O 3.41Å; V98-L185 HydrophobicContact CB-CD1 4.01Å; V98-L185 HydrophobicContact CB-CG 4.32Å; V98-L185 HydrophobicContact CG1-CD1 4.3Å; V98-L185 HydrophobicContact CG1-CG 4.06Å; V98-L185 HydrophobicContact CG2-CD1 4.28Å; V98-L195 HydrophobicContact CG2-CD2 3.94Å |
| 99 | G | 93.1 | Very high | 93.6 | Very high | 23 Ų | 23 | 58 Ų | 58 | 24% | 0.237 | 28% | 0.276 | C | S | . | . | trans | 85.3 | 161.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | T95 T103 | T95-G99 PolarHBondContact O-N 3.16Å; G99-T103 VanDerWaalsContact O-CB 3.28Å; G99-T103 WeakPolarHBondContact O-CB 3.33Å; G99-T103 PolarHBondContact O-N 3.16Å; G99-T103 PolarHBondContact O-OG1 3.27Å | ||
| 100 | E | 93.1 | Very high | 93.7 | Very high | 104 Ų | 104 | 57.4 Ų | 57.4 | 49% | 0.486 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.1 | -53 | -173 | -176.2 | 179.6 | -176.1 | 0 | 0 | 112.9 | Y94 D102 T103 H104 | Y94-E100 HydrophobicContact CD1-CB 3.72Å; Y94-E100 HydrophobicContact CD1-CG 3.59Å; Y94-E100 HydrophobicContact CD2-CB 3.84Å; Y94-E100 HydrophobicContact CE1-CB 3.86Å; Y94-E100 HydrophobicContact CE1-CG 3.89Å; Y94-E100 HydrophobicContact CE2-CB 4Å; Y94-E100 HydrophobicContact CG-CB 3.71Å; Y94-E100 HydrophobicContact CG-CG 3.98Å; E100-D102 VanDerWaalsContact C-N 3.29Å; E100-D102 PolarHBondContact O-N 3.12Å; E100-T103 WeakPolarHBondContact O-CB 3.39Å; E100-T103 PolarHBondContact O-N 3.17Å; E100-H104 PolarHBondContact O-CD2 3.06Å; E100-H104 PolarHBondContact O-N 2.96Å |
| 101 | K | 94.5 | Very high | 94 | Very high | 177 Ų | 177 | 56.2 Ų | 56.2 | 77% | 0.77 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -58.6 | -42.3 | -176.2 | -69.7 | -176.4 | 179.6 | 177.8 | 0 | 112.3 | R105 | K101-R105 WeakPolarHBondContact O-CB 3.36Å; K101-R105 PolarHBondContact O-N 3.32Å |
| 102 | D | 94.6 | Very high | 94 | Very high | 58 Ų | 58 | 60 Ų | 60 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -81.5 | -31.4 | -176 | -64.1 | -31.8 | 0 | 0 | 0 | 111.7 | E100 R105 A106 L185 | E100-D102 VanDerWaalsContact C-N 3.29Å; E100-D102 PolarHBondContact O-N 3.12Å; D102-R105 PolarHBondContact O-N 3.25Å; D102-R105 IonicContact OD1-CZ 3.1Å; D102-R105 VanDerWaalsContact OD1-CZ 3.3Å; D102-R105 IonicContact OD1-NE 3.92Å; D102-R105 PolarHBondContact OD1-NE 3.38Å; D102-R105 IonicContact OD1-NH2 3.63Å; D102-R105 PolarHBondContact OD1-NH2 2.88Å; D102-A106 WeakPolarHBondContact O-CB 3.43Å; D102-A106 PolarHBondContact O-N 3.3Å; D102-L185 HydrophobicContact CB-CD1 3.53Å |
| 103 | T | 95.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.8 | -53.9 | 166.8 | -61.1 | 0 | 0 | 0 | 0 | 111.2 | T95 V98 G99 E100 R105 A106 I107 F143 L195 | T95-T103 HydrophobicContact CG2-CG2 4.43Å; T95-T103 WeakPolarHBondContact CG2-OG1 3.43Å; V98-T103 WeakPolarHBondContact CG2-OG1 3.48Å; G99-T103 VanDerWaalsContact O-CB 3.28Å; G99-T103 WeakPolarHBondContact O-CB 3.33Å; G99-T103 PolarHBondContact O-N 3.16Å; G99-T103 PolarHBondContact O-OG1 3.27Å; E100-T103 WeakPolarHBondContact O-CB 3.39Å; E100-T103 PolarHBondContact O-N 3.17Å; T103-R105 VanDerWaalsContact C-N 3.3Å; T103-R105 PolarHBondContact O-N 3.16Å; T103-A106 PolarHBondContact O-N 3.48Å; T103-I107 HydrophobicContact CG2-CD1 3.78Å; T103-I107 WeakPolarHBondContact O-CG1 3.25Å; T103-I107 PolarHBondContact O-N 3.43Å; T103-F143 HydrophobicContact CG2-CE2 3.49Å; T103-F143 VanDerWaalsContact CG2-CE2 3.49Å; T103-F143 HydrophobicContact CG2-CZ 3.61Å; T103-L195 HydrophobicContact CG2-CD2 4.1Å |
| 104 | H | 95.1 | Very high | 94.6 | Very high | 29 Ų | 29 | 56.4 Ų | 56.4 | 13% | 0.134 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -39.3 | 179 | -80.1 | -113.2 | 0 | 0 | 0 | 111.5 | I91 E100 R108 E124 | I91-H104 HydrophobicContact CD1-CB 4.26Å; I91-H104 WeakPolarHBondContact CD1-ND1 3.32Å; E100-H104 PolarHBondContact O-CD2 3.06Å; E100-H104 PolarHBondContact O-N 2.96Å; H104-R108 WeakPolarHBondContact O-CB 3.42Å; H104-R108 WeakPolarHBondContact O-CD 3.39Å; H104-R108 WeakPolarHBondContact O-CG 2.99Å; H104-R108 PolarHBondContact O-N 3.02Å; H104-E124 IonicContact CE1-OE1 3.3Å; H104-E124 IonicContact ND1-OE1 2.72Å; H104-E124 PolarHBondContact ND1-OE1 2.87Å |
| 105 | R | 95.1 | Very high | 94.7 | Very high | 140 Ų | 140 | 54.6 Ų | 54.6 | 53% | 0.528 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.4 | -48.2 | 176.8 | -168.8 | -167.2 | -47.6 | -158.3 | 9.5 | 111.7 | K101 D102 T103 R108 Q109 | K101-R105 WeakPolarHBondContact O-CB 3.36Å; K101-R105 PolarHBondContact O-N 3.32Å; D102-R105 PolarHBondContact O-N 3.25Å; D102-R105 IonicContact OD1-CZ 3.1Å; D102-R105 VanDerWaalsContact OD1-CZ 3.3Å; D102-R105 IonicContact OD1-NE 3.92Å; D102-R105 PolarHBondContact OD1-NE 3.38Å; D102-R105 IonicContact OD1-NH2 3.63Å; D102-R105 PolarHBondContact OD1-NH2 2.88Å; T103-R105 VanDerWaalsContact C-N 3.3Å; T103-R105 PolarHBondContact O-N 3.16Å; R105-R108 PolarHBondContact O-N 2.7Å; R105-Q109 WeakPolarHBondContact O-CB 3.35Å; R105-Q109 VanDerWaalsContact O-CG 3.27Å; R105-Q109 WeakPolarHBondContact O-CG 3.36Å; R105-Q109 PolarHBondContact O-N 3.46Å |
| 106 | A | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D102 T103 Q109 A110 L185 L195 F196 | D102-A106 WeakPolarHBondContact O-CB 3.43Å; D102-A106 PolarHBondContact O-N 3.3Å; T103-A106 PolarHBondContact O-N 3.48Å; A106-Q109 WeakPolarHBondContact O-CB 3.36Å; A106-Q109 PolarHBondContact O-N 2.93Å; A106-A110 PolarHBondContact O-N 3.17Å; A106-L185 HydrophobicContact CB-CD1 4.5Å; A106-L185 HydrophobicContact CB-CD2 3.65Å; A106-L195 HydrophobicContact CB-CD2 4.27Å; A106-L195 HydrophobicContact CB-CG 4.34Å; A106-F196 HydrophobicContact CB-CB 4.16Å |
| 107 | I | 96.9 | Very high | 94.9 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.4 | -46.1 | 177.5 | -68.1 | 165.2 | 0 | 0 | 0 | 111.2 | Y89 I91 T103 Q109 A110 F111 I141 F143 | Y89-I107 HydrophobicContact CE2-CG2 4.36Å; I91-I107 HydrophobicContact CD1-CB 3.99Å; I91-I107 HydrophobicContact CD1-CD1 3.94Å; I91-I107 HydrophobicContact CD1-CG2 3.77Å; I91-I107 HydrophobicContact CG1-CD1 4.12Å; I91-I107 HydrophobicContact CG1-CG2 4.11Å; I91-I107 HydrophobicContact CG2-CD1 4.17Å; T103-I107 HydrophobicContact CG2-CD1 3.78Å; T103-I107 WeakPolarHBondContact O-CG1 3.25Å; T103-I107 PolarHBondContact O-N 3.43Å; I107-Q109 VanDerWaalsContact C-N 3.3Å; I107-Q109 PolarHBondContact O-N 2.9Å; I107-A110 WeakPolarHBondContact O-CB 3.4Å; I107-A110 PolarHBondContact O-N 3.46Å; I107-A110 VanDerWaalsContact O-N 3.12Å; I107-F111 HydrophobicContact CG2-CD2 3.96Å; I107-F111 HydrophobicContact CG2-CE2 3.8Å; I107-F111 WeakPolarHBondContact O-CD2 3.07Å; I107-F111 PolarHBondContact O-N 3.36Å; I107-I141 HydrophobicContact CD1-CG2 3.76Å; I107-I141 HydrophobicContact CG2-CD1 3.48Å; I107-I141 VanDerWaalsContact CG2-CD1 3.48Å; I107-F143 HydrophobicContact CD1-CE2 4.26Å; I107-F143 HydrophobicContact CD1-CZ 4.41Å |
| 108 | R | 96.2 | Very high | 95.1 | Very high | 106 Ų | 106 | 49.6 Ų | 49.6 | 40% | 0.4 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.1 | -42.5 | 175.5 | -75.5 | 169.9 | -177 | 153 | 9.7 | 111.9 | Y89 H104 R105 A110 F111 N112 E124 | Y89-R108 WeakPolarHBondContact OH-CG 3.46Å; H104-R108 WeakPolarHBondContact O-CB 3.42Å; H104-R108 WeakPolarHBondContact O-CD 3.39Å; H104-R108 WeakPolarHBondContact O-CG 2.99Å; H104-R108 PolarHBondContact O-N 3.02Å; R105-R108 PolarHBondContact O-N 2.7Å; R108-A110 VanDerWaalsContact C-N 3.32Å; R108-F111 PolarHBondContact O-N 3.36Å; R108-N112 VanDerWaalsContact O-CG 3.25Å; R108-N112 PolarHBondContact O-N 2.93Å; R108-N112 PolarHBondContact O-ND2 2.85Å; R108-E124 IonicContact CZ-OE1 2.7Å; R108-E124 IonicContact CZ-OE2 2.87Å; R108-E124 IonicContact NE-OE1 3.48Å; R108-E124 IonicContact NE-OE2 3.61Å; R108-E124 PolarHBondContact NE-OE2 3.35Å; R108-E124 VanDerWaalsContact NH2-CD 3.28Å; R108-E124 IonicContact NH2-OE1 3.17Å; R108-E124 PolarHBondContact NH2-OE1 3.31Å; R108-E124 IonicContact NH2-OE2 2.68Å; R108-E124 PolarHBondContact NH2-OE2 3.36Å |
| 109 | Q | 95.7 | Very high | 95.2 | Very high | 93 Ų | 93 | 49.7 Ų | 49.7 | 44% | 0.435 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.8 | -41.4 | 175.5 | -76.2 | 175.6 | -43.2 | 0 | 0 | 111.2 | R105 A106 I107 N112 V113 F196 | R105-Q109 WeakPolarHBondContact O-CB 3.35Å; R105-Q109 VanDerWaalsContact O-CG 3.27Å; R105-Q109 WeakPolarHBondContact O-CG 3.36Å; R105-Q109 PolarHBondContact O-N 3.46Å; A106-Q109 WeakPolarHBondContact O-CB 3.36Å; A106-Q109 PolarHBondContact O-N 2.93Å; I107-Q109 VanDerWaalsContact C-N 3.3Å; I107-Q109 PolarHBondContact O-N 2.9Å; Q109-N112 WeakPolarHBondContact O-CB 3.43Å; Q109-N112 PolarHBondContact O-N 2.81Å; Q109-N112 VanDerWaalsContact O-N 3.17Å; Q109-V113 WeakPolarHBondContact O-CG2 3.48Å; Q109-V113 PolarHBondContact O-N 2.99Å; Q109-F196 HydrophobicContact CB-CD2 3.8Å; Q109-F196 HydrophobicContact CB-CE2 3.74Å |
| 110 | A | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63 | -41.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A106 I107 R108 N112 V113 F196 A199 V200 L203 | A106-A110 PolarHBondContact O-N 3.17Å; I107-A110 WeakPolarHBondContact O-CB 3.4Å; I107-A110 PolarHBondContact O-N 3.46Å; I107-A110 VanDerWaalsContact O-N 3.12Å; R108-A110 VanDerWaalsContact C-N 3.32Å; A110-N112 PolarHBondContact O-N 3.21Å; A110-V113 WeakPolarHBondContact O-CB 3.4Å; A110-V113 PolarHBondContact O-N 3.13Å; A110-F196 HydrophobicContact CB-CD2 4.32Å; A110-F196 HydrophobicContact CB-CE2 4.49Å; A110-A199 HydrophobicContact CB-CB 3.74Å; A110-V200 HydrophobicContact CB-CG2 3.7Å; A110-L203 HydrophobicContact CB-CD1 3.75Å |
| 111 | F | 96.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 46.3 Ų | 46.3 | 1% | 0.009 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -41.3 | 171.1 | -81.9 | -69.4 | 0 | 0 | 0 | 112.6 | Y89 I107 R108 V113 W114 Q115 F122 I139 I141 L203 | Y89-F111 HydrophobicContact CD1-CD1 4.42Å; Y89-F111 AromaticContact CD1-CD2 3.99Å; Y89-F111 HydrophobicContact CD1-CD2 3.99Å; Y89-F111 HydrophobicContact CD1-CE1 4.17Å; Y89-F111 AromaticContact CD1-CE2 3.72Å; Y89-F111 HydrophobicContact CD1-CE2 3.72Å; Y89-F111 HydrophobicContact CD1-CG 4.34Å; Y89-F111 AromaticContact CD1-CZ 3.81Å; Y89-F111 HydrophobicContact CD1-CZ 3.81Å; Y89-F111 AromaticContact CD2-CD2 3.98Å; Y89-F111 HydrophobicContact CD2-CD2 3.98Å; Y89-F111 AromaticContact CD2-CE2 3.29Å; Y89-F111 HydrophobicContact CD2-CE2 3.29Å; Y89-F111 AromaticContact CD2-CZ 3.85Å; Y89-F111 HydrophobicContact CD2-CZ 3.85Å; Y89-F111 AromaticContact CE1-CD2 3.74Å; Y89-F111 HydrophobicContact CE1-CD2 3.74Å; Y89-F111 AromaticContact CE1-CE2 3.92Å; Y89-F111 HydrophobicContact CE1-CE2 3.92Å; Y89-F111 HydrophobicContact CE1-CG 4.09Å; Y89-F111 HydrophobicContact CE1-CZ 4.4Å; Y89-F111 AromaticContact CE2-CD2 3.73Å; Y89-F111 HydrophobicContact CE2-CD2 3.73Å; Y89-F111 AromaticContact CE2-CE2 3.51Å; Y89-F111 HydrophobicContact CE2-CE2 3.51Å; Y89-F111 HydrophobicContact CE2-CZ 4.44Å; Y89-F111 HydrophobicContact CG-CD2 4.09Å; Y89-F111 HydrophobicContact CG-CE1 4.26Å; Y89-F111 AromaticContact CG-CE2 3.38Å; Y89-F111 HydrophobicContact CG-CE2 3.38Å; Y89-F111 AromaticContact CG-CZ 3.47Å; Y89-F111 HydrophobicContact CG-CZ 3.47Å; Y89-F111 VanDerWaalsContact CG-CZ 3.47Å; Y89-F111 AromaticContact CZ-CD2 3.58Å; Y89-F111 AromaticContact CZ-CE2 3.8Å; I107-F111 HydrophobicContact CG2-CD2 3.96Å; I107-F111 HydrophobicContact CG2-CE2 3.8Å; I107-F111 WeakPolarHBondContact O-CD2 3.07Å; I107-F111 PolarHBondContact O-N 3.36Å; R108-F111 PolarHBondContact O-N 3.36Å; F111-V113 VanDerWaalsContact C-N 3.26Å; F111-V113 PolarHBondContact O-N 3.13Å; F111-W114 PolarHBondContact O-N 3.48Å; F111-Q115 WeakPolarHBondContact O-CB 3.39Å; F111-Q115 PolarHBondContact O-N 3.36Å; F111-F122 HydrophobicContact CB-CB 4.25Å; F111-F122 HydrophobicContact CB-CD2 4.18Å; F111-F122 HydrophobicContact CB-CG 4.22Å; F111-F122 HydrophobicContact CD1-CB 3.92Å; F111-F122 AromaticContact CD1-CD1 3.36Å; F111-F122 HydrophobicContact CD1-CD1 3.36Å; F111-F122 AromaticContact CD1-CD2 3.89Å; F111-F122 HydrophobicContact CD1-CD2 3.89Å; F111-F122 AromaticContact CD1-CE1 3.76Å; F111-F122 HydrophobicContact CD1-CE1 3.76Å; F111-F122 HydrophobicContact CD1-CE2 4.25Å; F111-F122 AromaticContact CD1-CG 3.43Å; F111-F122 HydrophobicContact CD1-CG 3.43Å; F111-F122 VanDerWaalsContact CD1-CG 3.43Å; F111-F122 HydrophobicContact CD1-CZ 4.19Å; F111-F122 AromaticContact CE1-CD1 3.59Å; F111-F122 HydrophobicContact CE1-CD1 3.59Å; F111-F122 AromaticContact CE1-CE1 3.92Å; F111-F122 HydrophobicContact CE1-CE1 3.92Å; F111-F122 HydrophobicContact CE1-CG 4.11Å; F111-F122 HydrophobicContact CG-CB 4.22Å; F111-F122 HydrophobicContact CG-CD1 4.43Å; F111-F122 HydrophobicContact CG-CD2 4.48Å; F111-F122 HydrophobicContact CG-CG 4.13Å; F111-I139 HydrophobicContact CE1-CD1 4.11Å; F111-I139 HydrophobicContact CZ-CD1 4.44Å; F111-I139 HydrophobicContact CZ-CG2 4.18Å; F111-I141 HydrophobicContact CE2-CD1 3.51Å; F111-I141 HydrophobicContact CZ-CD1 3.83Å; F111-L203 HydrophobicContact CD1-CD1 3.87Å; F111-L203 HydrophobicContact CD1-CD2 4.41Å; F111-L203 HydrophobicContact CD2-CD1 3.89Å; F111-L203 HydrophobicContact CE1-CD1 3.94Å; F111-L203 HydrophobicContact CE1-CD2 3.65Å; F111-L203 HydrophobicContact CE1-CG 4.4Å; F111-L203 HydrophobicContact CE2-CD1 3.94Å; F111-L203 HydrophobicContact CE2-CD2 4.1Å; F111-L203 HydrophobicContact CG-CD1 3.86Å; F111-L203 HydrophobicContact CZ-CD1 3.98Å; F111-L203 HydrophobicContact CZ-CD2 3.47Å; F111-L203 VanDerWaalsContact CZ-CD2 3.47Å; F111-L203 HydrophobicContact CZ-CG 4.39Å |
| 112 | N | 95.4 | Very high | 95.4 | Very high | 87 Ų | 87 | 39 Ų | 39 | 47% | 0.465 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -61.7 | -34.7 | 179.1 | -73.1 | -26.7 | 0 | 0 | 0 | 112.6 | R108 Q109 A110 W114 Q115 A116 | R108-N112 VanDerWaalsContact O-CG 3.25Å; R108-N112 PolarHBondContact O-N 2.93Å; R108-N112 PolarHBondContact O-ND2 2.85Å; Q109-N112 WeakPolarHBondContact O-CB 3.43Å; Q109-N112 PolarHBondContact O-N 2.81Å; Q109-N112 VanDerWaalsContact O-N 3.17Å; A110-N112 PolarHBondContact O-N 3.21Å; N112-W114 PolarHBondContact O-N 3.14Å; N112-Q115 PolarHBondContact O-N 3.32Å; N112-A116 WeakPolarHBondContact O-CB 3.17Å; N112-A116 PolarHBondContact O-N 3.41Å |
| 113 | V | 96.1 | Very high | 95.4 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 15% | 0.152 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -56.9 | -48.8 | 175 | 167.9 | 0 | 0 | 0 | 0 | 110.8 | Q109 A110 F111 F196 V200 F231 L233 | Q109-V113 WeakPolarHBondContact O-CG2 3.48Å; Q109-V113 PolarHBondContact O-N 2.99Å; A110-V113 WeakPolarHBondContact O-CB 3.4Å; A110-V113 PolarHBondContact O-N 3.13Å; F111-V113 VanDerWaalsContact C-N 3.26Å; F111-V113 PolarHBondContact O-N 3.13Å; V113-F196 HydrophobicContact CG2-CE2 3.96Å; V113-F196 HydrophobicContact CG2-CZ 3.83Å; V113-V200 HydrophobicContact CB-CG2 4.4Å; V113-V200 HydrophobicContact CG1-CG1 4.09Å; V113-V200 HydrophobicContact CG1-CG2 4.47Å; V113-V200 HydrophobicContact CG2-CG2 4.23Å; V113-F231 HydrophobicContact CG1-CD1 4.19Å; V113-F231 HydrophobicContact CG1-CE1 3.85Å; V113-F231 HydrophobicContact CG2-CD1 3.98Å; V113-F231 HydrophobicContact CG2-CE1 4.36Å; V113-L233 HydrophobicContact CG1-CD1 3.7Å; V113-L233 HydrophobicContact CG1-CD2 3.79Å; V113-L233 HydrophobicContact CG1-CG 3.5Å; V113-L233 VanDerWaalsContact CG1-CG 3.5Å |
| 114 | W | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -73.5 | -37.1 | 178.4 | -65 | 115.5 | 0 | 0 | 0 | 112.8 | F111 N112 A116 V117 T118 F122 V200 L207 L209 I218 M219 L233 D237 I241 | F111-W114 PolarHBondContact O-N 3.48Å; N112-W114 PolarHBondContact O-N 3.14Å; W114-A116 VanDerWaalsContact C-N 3.3Å; W114-A116 PolarHBondContact O-N 2.91Å; W114-V117 PolarHBondContact O-N 2.78Å; W114-T118 WeakPolarHBondContact O-CG2 3.46Å; W114-T118 PolarHBondContact O-N 3.28Å; W114-T118 PolarHBondContact O-OG1 2.91Å; W114-F122 HydrophobicContact CB-CE2 4.28Å; W114-F122 HydrophobicContact CB-CZ 4.5Å; W114-V200 HydrophobicContact CZ2-CG1 4.06Å; W114-V200 VanDerWaalsContact CZ2-O 3.32Å; W114-V200 WeakPolarHBondContact CZ2-O 3.04Å; W114-V200 PolarHBondContact NE1-O 2.66Å; W114-L207 HydrophobicContact CB-CD1 3.62Å; W114-L207 HydrophobicContact CD2-CD1 3.95Å; W114-L207 HydrophobicContact CE3-CD1 4.47Å; W114-L207 HydrophobicContact CG-CD1 3.56Å; W114-L209 HydrophobicContact CH2-CD1 3.37Å; W114-L209 HydrophobicContact CZ2-CD1 4.18Å; W114-L209 HydrophobicContact CZ3-CD1 3.69Å; W114-I218 HydrophobicContact CH2-CG2 4.45Å; W114-I218 HydrophobicContact CZ2-CG2 4.48Å; W114-M219 HydrophobicContact CZ2-SD 4.37Å; W114-L233 HydrophobicContact CD2-CD1 4.43Å; W114-L233 HydrophobicContact CE3-CD1 3.75Å; W114-L233 HydrophobicContact CE3-CD2 4.39Å; W114-L233 HydrophobicContact CH2-CD1 4.45Å; W114-L233 HydrophobicContact CH2-CD2 3.72Å; W114-L233 HydrophobicContact CZ2-CD2 4.08Å; W114-L233 HydrophobicContact CZ3-CD1 3.76Å; W114-L233 HydrophobicContact CZ3-CD2 3.89Å; W114-L233 HydrophobicContact CZ3-CG 4.5Å; W114-D237 HydrophobicContact CH2-CB 4.25Å; W114-I241 HydrophobicContact CE3-CB 4.11Å; W114-I241 HydrophobicContact CE3-CD1 4.31Å; W114-I241 HydrophobicContact CE3-CG1 3.87Å; W114-I241 HydrophobicContact CE3-CG2 4.09Å; W114-I241 HydrophobicContact CZ3-CB 3.81Å; W114-I241 HydrophobicContact CZ3-CD1 4.43Å; W114-I241 HydrophobicContact CZ3-CG1 4.05Å; W114-I241 HydrophobicContact CZ3-CG2 3.88Å |
| 115 | Q | 95.3 | Very high | 95 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 31% | 0.308 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.1 | -39.1 | 177.1 | -163.4 | 171 | -97.6 | 0 | 0 | 112.1 | F111 N112 V117 L120 F122 | F111-Q115 WeakPolarHBondContact O-CB 3.39Å; F111-Q115 PolarHBondContact O-N 3.36Å; N112-Q115 PolarHBondContact O-N 3.32Å; Q115-V117 PolarHBondContact O-N 3.4Å; Q115-L120 WeakPolarHBondContact CG-O 3.42Å; Q115-F122 HydrophobicContact CB-CD2 3.85Å; Q115-F122 HydrophobicContact CB-CE2 3.99Å; Q115-F122 HydrophobicContact CG-CD2 4.15Å |
| 116 | A | 93.9 | Very high | 94.3 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 62% | 0.62 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.5 | -24.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | N112 W114 P248 | N112-A116 WeakPolarHBondContact O-CB 3.17Å; N112-A116 PolarHBondContact O-N 3.41Å; W114-A116 VanDerWaalsContact C-N 3.3Å; W114-A116 PolarHBondContact O-N 2.91Å; A116-P248 WeakPolarHBondContact O-CG 3.22Å |
| 117 | V | 94.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 44.6 Ų | 44.6 | 16% | 0.158 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -114.5 | 3.8 | -174.5 | -56.5 | 0 | 0 | 0 | 0 | 114 | W114 Q115 L233 L238 I241 Q242 P248 | W114-V117 PolarHBondContact O-N 2.78Å; Q115-V117 PolarHBondContact O-N 3.4Å; V117-L233 HydrophobicContact CB-CD1 4.45Å; V117-L233 HydrophobicContact CG1-CD1 4.2Å; V117-L233 HydrophobicContact CG2-CD1 3.47Å; V117-L233 VanDerWaalsContact CG2-CD1 3.47Å; V117-L238 HydrophobicContact CG1-CD1 4.36Å; V117-I241 HydrophobicContact CG2-CG2 3.92Å; V117-Q242 WeakPolarHBondContact O-CG 3.36Å; V117-Q242 PolarHBondContact O-NE2 2.9Å; V117-P248 VanDerWaalsContact C-CG 3.42Å; V117-P248 WeakPolarHBondContact O-CD 3.28Å |
| 118 | T | 94.7 | Very high | 91.2 | Very high | 4 Ų | 4 | 48.7 Ų | 48.7 | 3% | 0.025 | 27% | 0.271 | C | S | . | . | S | Bend | trans | -130.9 | 162.5 | 176.7 | 63.6 | 0 | 0 | 0 | 0 | 112 | W114 L120 I241 Y245 | W114-T118 WeakPolarHBondContact O-CG2 3.46Å; W114-T118 PolarHBondContact O-N 3.28Å; W114-T118 PolarHBondContact O-OG1 2.91Å; T118-L120 PolarHBondContact O-N 2.87Å; T118-L120 WeakPolarHBondContact OG1-CB 3.32Å; T118-L120 PolarHBondContact OG1-N 3.28Å; T118-I241 HydrophobicContact CG2-CB 4.34Å; T118-I241 HydrophobicContact CG2-CD1 4.48Å; T118-I241 HydrophobicContact CG2-CG1 3.4Å; T118-I241 VanDerWaalsContact CG2-CG1 3.4Å; T118-I241 HydrophobicContact CG2-CG2 4.04Å; T118-Y245 HydrophobicContact CG2-CD2 4.5Å |
| 119 | P | 93.8 | Very high | 89.2 | Confident | 26 Ų | 26 | 48.4 Ų | 48.4 | 17% | 0.169 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -79.5 | 13.4 | 169.8 | 34.2 | -37.6 | 0 | 0 | 0 | 113.3 | Y245 G246 | P119-Y245 WeakPolarHBondContact CD-O 3.18Å; P119-Y245 WeakPolarHBondContact CG-O 3.23Å; P119-G246 VanDerWaalsContact CD-O 3.3Å; P119-G246 WeakPolarHBondContact CD-O 3.31Å |
| 120 | L | 94.8 | Very high | 87.2 | Confident | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | trans | -78.3 | 155.3 | 177.3 | -60.3 | 176.7 | 0 | 0 | 0 | 110.3 | K85 I87 Q115 T118 F122 L207 Y245 | K85-L120 HydrophobicContact CB-CD2 4.47Å; K85-L120 CarbonylContact O-C 3.51Å; K85-L120 VanDerWaalsContact O-CA 3.24Å; K85-L120 WeakPolarHBondContact O-CA 3.32Å; I87-L120 HydrophobicContact CD1-CD1 4.01Å; I87-L120 HydrophobicContact CD1-CD2 4.1Å; I87-L120 HydrophobicContact CD1-CG 4.5Å; Q115-L120 WeakPolarHBondContact CG-O 3.42Å; T118-L120 PolarHBondContact O-N 2.87Å; T118-L120 WeakPolarHBondContact OG1-CB 3.32Å; T118-L120 PolarHBondContact OG1-N 3.28Å; L120-F122 HydrophobicContact CB-CE2 4.14Å; L120-F122 HydrophobicContact CB-CZ 4.01Å; L120-F122 HydrophobicContact CD1-CZ 4.02Å; L120-L207 HydrophobicContact CD1-CD2 3.7Å; L120-Y245 HydrophobicContact CD1-CD1 4Å; L120-Y245 HydrophobicContact CD1-CD2 3.85Å; L120-Y245 HydrophobicContact CD1-CE1 4.05Å; L120-Y245 HydrophobicContact CD1-CE2 3.91Å; L120-Y245 HydrophobicContact CD1-CG 3.9Å; L120-Y245 HydrophobicContact CD2-CD1 3.69Å; L120-Y245 HydrophobicContact CD2-CE1 3.97Å; L120-Y245 HydrophobicContact CD2-CG 4.23Å; L120-Y245 HydrophobicContact CG-CD1 4.07Å; L120-Y245 HydrophobicContact CG-CE1 4.48Å; L120-Y245 HydrophobicContact CG-CG 4.1Å | ||
| 121 | S | 95.1 | Very high | 84.9 | Confident | 50 Ų | 50 | 56 Ų | 56 | 35% | 0.35 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 134.9 | 169.7 | 58.4 | 0 | 0 | 0 | 0 | 110 | K85 R86 I87 | K85-S121 PolarHBondContact O-N 2.98Å; R86-S121 CarbonylContact C-O 3.6Å; R86-S121 WeakPolarHBondContact CA-O 3.1Å; R86-S121 WeakPolarHBondContact CA-OG 3.14Å; I87-S121 PolarHBondContact N-O 2.97Å |
| 122 | F | 95.9 | Very high | 82.4 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 11% | 0.105 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 128.1 | -177.6 | -58.5 | -78.5 | 0 | 0 | 0 | 110.5 | I87 Y89 F111 W114 Q115 L120 L207 | I87-F122 HydrophobicContact CB-CD1 3.93Å; I87-F122 HydrophobicContact CB-CE1 4.07Å; I87-F122 HydrophobicContact CD1-CE1 3.84Å; I87-F122 HydrophobicContact CG2-CD1 4.24Å; I87-F122 HydrophobicContact CG2-CE1 4.33Å; I87-F122 VanDerWaalsContact O-CA 3.3Å; I87-F122 WeakPolarHBondContact O-CA 3.48Å; Y89-F122 HydrophobicContact CD1-CB 4.03Å; Y89-F122 HydrophobicContact CE1-CB 3.91Å; F111-F122 HydrophobicContact CB-CB 4.25Å; F111-F122 HydrophobicContact CB-CD2 4.18Å; F111-F122 HydrophobicContact CB-CG 4.22Å; F111-F122 HydrophobicContact CD1-CB 3.92Å; F111-F122 AromaticContact CD1-CD1 3.36Å; F111-F122 HydrophobicContact CD1-CD1 3.36Å; F111-F122 AromaticContact CD1-CD2 3.89Å; F111-F122 HydrophobicContact CD1-CD2 3.89Å; F111-F122 AromaticContact CD1-CE1 3.76Å; F111-F122 HydrophobicContact CD1-CE1 3.76Å; F111-F122 HydrophobicContact CD1-CE2 4.25Å; F111-F122 AromaticContact CD1-CG 3.43Å; F111-F122 HydrophobicContact CD1-CG 3.43Å; F111-F122 VanDerWaalsContact CD1-CG 3.43Å; F111-F122 HydrophobicContact CD1-CZ 4.19Å; F111-F122 AromaticContact CE1-CD1 3.59Å; F111-F122 HydrophobicContact CE1-CD1 3.59Å; F111-F122 AromaticContact CE1-CE1 3.92Å; F111-F122 HydrophobicContact CE1-CE1 3.92Å; F111-F122 HydrophobicContact CE1-CG 4.11Å; F111-F122 HydrophobicContact CG-CB 4.22Å; F111-F122 HydrophobicContact CG-CD1 4.43Å; F111-F122 HydrophobicContact CG-CD2 4.48Å; F111-F122 HydrophobicContact CG-CG 4.13Å; W114-F122 HydrophobicContact CB-CE2 4.28Å; W114-F122 HydrophobicContact CB-CZ 4.5Å; Q115-F122 HydrophobicContact CB-CD2 3.85Å; Q115-F122 HydrophobicContact CB-CE2 3.99Å; Q115-F122 HydrophobicContact CG-CD2 4.15Å; L120-F122 HydrophobicContact CB-CE2 4.14Å; L120-F122 HydrophobicContact CB-CZ 4.01Å; L120-F122 HydrophobicContact CD1-CZ 4.02Å; F122-L207 HydrophobicContact CE1-CD2 3.9Å; F122-L207 HydrophobicContact CZ-CD1 4.07Å; F122-L207 HydrophobicContact CZ-CD2 3.82Å |
| 123 | Q | 93.9 | Very high | 80 | Confident | 90 Ų | 90 | 64.1 Ų | 64.1 | 42% | 0.421 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 117.8 | 179.2 | -176.2 | 173.2 | 4.2 | 0 | 0 | 110 | R86 I87 T88 Y89 | R86-Q123 VanDerWaalsContact NH1-OE1 3.12Å; I87-Q123 PolarHBondContact O-N 3.18Å; T88-Q123 CarbonylContact C-O 3.5Å; T88-Q123 VanDerWaalsContact CA-O 3.28Å; T88-Q123 WeakPolarHBondContact CA-O 3.45Å; T88-Q123 HydrophobicContact CG2-CB 4.49Å; Y89-Q123 PolarHBondContact N-O 3.15Å |
| 124 | E | 92.6 | Very high | 77.8 | Confident | 55 Ų | 55 | 66.5 Ų | 66.5 | 26% | 0.257 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 129 | 172.8 | -167.6 | 178.1 | 169.2 | 0 | 0 | 109.7 | Y89 H104 R108 | Y89-E124 HydrophobicContact CD2-CB 4.47Å; Y89-E124 HydrophobicContact CD2-CG 4.29Å; Y89-E124 HydrophobicContact CE1-CB 3.95Å; Y89-E124 HydrophobicContact CE2-CB 3.84Å; Y89-E124 HydrophobicContact CE2-CG 3.73Å; Y89-E124 CarbonylContact O-C 3.55Å; Y89-E124 VanDerWaalsContact O-CA 3.3Å; Y89-E124 WeakPolarHBondContact O-CA 3.26Å; H104-E124 IonicContact CE1-OE1 3.3Å; H104-E124 IonicContact ND1-OE1 2.72Å; H104-E124 PolarHBondContact ND1-OE1 2.87Å; R108-E124 IonicContact CZ-OE1 2.7Å; R108-E124 IonicContact CZ-OE2 2.87Å; R108-E124 IonicContact NE-OE1 3.48Å; R108-E124 IonicContact NE-OE2 3.61Å; R108-E124 PolarHBondContact NE-OE2 3.35Å; R108-E124 VanDerWaalsContact NH2-CD 3.28Å; R108-E124 IonicContact NH2-OE1 3.17Å; R108-E124 PolarHBondContact NH2-OE1 3.31Å; R108-E124 IonicContact NH2-OE2 2.68Å; R108-E124 PolarHBondContact NH2-OE2 3.36Å |
| 125 | V | 89.6 | Confident | 75.8 | Confident | 41 Ų | 41 | 75 Ų | 75 | 25% | 0.248 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -103.9 | 135 | 172.6 | -69.2 | 0 | 0 | 0 | 0 | 110.7 | T88 Y89 R90 A137 | T88-V125 HydrophobicContact CG2-CG1 4.34Å; Y89-V125 WeakPolarHBondContact O-CG2 3.46Å; Y89-V125 PolarHBondContact O-N 3.04Å; R90-V125 HydrophobicContact CB-CG2 3.93Å; R90-V125 HydrophobicContact CG-CG2 4.47Å; V125-A137 HydrophobicContact CG2-CB 3.74Å |
| 126 | P | 80.7 | Confident | 74.6 | Confident | 67 Ų | 67 | 76.2 Ų | 76.2 | 44% | 0.435 | 44% | 0.444 | S | S | . | . | P | Polyproline II helix | trans | -60.7 | 148.6 | 176.6 | -22.9 | 33.1 | 0 | 0 | 0 | 112.9 | S128 D129 | P126-S128 PolarHBondContact O-N 2.9Å; P126-D129 VanDerWaalsContact CD-OD2 3.31Å; P126-D129 WeakPolarHBondContact CD-OD2 3.37Å; P126-D129 VanDerWaalsContact CG-OD2 3.31Å; P126-D129 WeakPolarHBondContact CG-OD2 3.45Å; P126-D129 PolarHBondContact O-N 2.98Å |
| 127 | N | 66.7 | Low | 74.2 | Confident | 92 Ų | 92 | 73.1 Ų | 73.1 | 49% | 0.492 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -16.2 | 179 | -152.8 | 21.5 | 0 | 0 | 0 | 113.5 | R90 S92 | R90-N127 PolarHBondContact NH1-OD1 2.92Å; S92-N127 PolarHBondContact O-ND2 3.06Å |
| 128 | S | 60 | Low | 74 | Confident | 87 Ų | 87 | 74.4 Ų | 74.4 | 61% | 0.608 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -20.5 | -179.5 | 49 | 0 | 0 | 0 | 0 | 114.8 | P126 V130 | P126-S128 PolarHBondContact O-N 2.9Å; S128-V130 VanDerWaalsContact C-N 3.27Å; S128-V130 PolarHBondContact O-N 3.33Å |
| 129 | D | 55.9 | Low | 73.9 | Confident | 100 Ų | 100 | 74.2 Ų | 74.2 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | G | 310 helix | trans | -87.8 | 5.4 | -162.3 | -62.6 | -5.8 | 0 | 0 | 0 | 113.3 | P126 | P126-D129 VanDerWaalsContact CD-OD2 3.31Å; P126-D129 WeakPolarHBondContact CD-OD2 3.37Å; P126-D129 VanDerWaalsContact CG-OD2 3.31Å; P126-D129 WeakPolarHBondContact CG-OD2 3.45Å; P126-D129 PolarHBondContact O-N 2.98Å |
| 130 | V | 52.6 | Low | 73.8 | Confident | 60 Ų | 60 | 73.7 Ų | 73.7 | 36% | 0.364 | 42% | 0.42 | S | S | . | . | G | 310 helix | trans | -79.1 | -20.1 | -175.8 | -178.3 | 0 | 0 | 0 | 0 | 112.8 | S128 S132 | S128-V130 VanDerWaalsContact C-N 3.27Å; S128-V130 PolarHBondContact O-N 3.33Å; V130-S132 VanDerWaalsContact C-N 3.33Å; V130-S132 PolarHBondContact O-N 3.36Å |
| 131 | E | 48.4 | Very low | 73.8 | Confident | 192 Ų | 192 | 73.5 Ų | 73.5 | 90% | 0.897 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -76.4 | -14 | -174.2 | -66.2 | -164.1 | 165.3 | 0 | 0 | 114.7 | ||
| 132 | S | 44.2 | Very low | 73.7 | Confident | 113 Ų | 113 | 73 Ų | 73 | 79% | 0.79 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | -27.3 | -172.5 | -70.7 | 0 | 0 | 0 | 0 | 115.8 | V130 | V130-S132 VanDerWaalsContact C-N 3.33Å; V130-S132 PolarHBondContact O-N 3.36Å |
| 133 | D | 45.2 | Very low | 73.6 | Confident | 146 Ų | 146 | 72.2 Ų | 72.2 | 78% | 0.781 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.4 | -1.7 | -169.6 | -96.8 | -13.4 | 0 | 0 | 0 | 116.1 | K135 | D133-K135 PolarHBondContact O-N 3.06Š|
| 134 | G | 49.7 | Very low | 73.2 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 77% | 0.773 | 39% | 0.393 | S | S | * | . | trans | 63.7 | 14 | 173.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 135 | K | 54.9 | Low | 72.8 | Confident | 178 Ų | 178 | 68.8 Ų | 68.8 | 77% | 0.774 | 40% | 0.399 | S | S | * | . | P | Polyproline II helix | trans | -100.6 | 120.1 | 172.1 | -70.1 | -173.6 | 178.5 | -178.1 | 0 | 110 | D133 | D133-K135 PolarHBondContact O-N 3.06Š|
| 136 | D | 70.2 | Confident | 72.2 | Confident | 92 Ų | 92 | 67.7 Ų | 67.7 | 49% | 0.492 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -77.8 | 164 | 170.1 | -141.2 | -24.4 | 0 | 0 | 0 | 110.2 | R90 I140 | R90-D136 IonicContact CZ-OD1 3.23Å; R90-D136 IonicContact NE-OD1 3.74Å; R90-D136 IonicContact NH2-OD1 3.67Å; R90-D136 PolarHBondContact NH2-OD1 3.33Å; R90-D136 VanDerWaalsContact NH2-OD1 3.1Å; D136-I140 VanDerWaalsContact CG-CD1 3.49Å; D136-I140 WeakPolarHBondContact OD1-CD1 3.39Å; D136-I140 WeakPolarHBondContact OD2-CD1 3.32Å |
| 137 | A | 85.2 | Confident | 71.9 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 9% | 0.091 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 157.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | R90 V125 I139 | R90-A137 HydrophobicContact CB-CB 3.79Å; V125-A137 HydrophobicContact CG2-CB 3.74Å; A137-I139 VanDerWaalsContact C-N 3.31Å; A137-I139 PolarHBondContact O-N 3.17Å |
| 138 | D | 89.6 | Confident | 72.1 | Confident | 52 Ų | 52 | 62.3 Ų | 62.3 | 28% | 0.278 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -68.5 | -31.2 | 177.9 | -55.6 | -65.8 | 0 | 0 | 0 | 112.5 | W82 I87 T88 | W82-D138 HydrophobicContact CH2-CB 3.96Å; W82-D138 WeakPolarHBondContact CH2-O 3.37Å; W82-D138 HydrophobicContact CZ3-CB 4.06Å; I87-D138 HydrophobicContact CG2-CB 3.82Å; T88-D138 PolarHBondContact N-OD2 3.49Å; T88-D138 WeakPolarHBondContact O-CB 3.1Å; T88-D138 PolarHBondContact O-N 3.02Å; T88-D138 VanDerWaalsContact O-N 3.12Å; T88-D138 PolarHBondContact OG1-N 3.39Å; T88-D138 VanDerWaalsContact OG1-N 3.13Å; T88-D138 PolarHBondContact OG1-OD2 3.12Å |
| 139 | I | 93.6 | Very high | 72.1 | Confident | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 114.7 | 176.9 | -65.4 | 172.2 | 0 | 0 | 0 | 109.3 | W82 I87 T88 Y89 R90 F111 A137 I141 G173 L203 A206 | W82-I139 HydrophobicContact CZ2-CG1 4.1Å; I87-I139 HydrophobicContact CG2-CD1 3.76Å; I87-I139 HydrophobicContact CG2-CG1 4.13Å; T88-I139 PolarHBondContact O-N 2.92Å; Y89-I139 CarbonylContact C-O 3.57Å; Y89-I139 WeakPolarHBondContact CA-O 3.4Å; Y89-I139 WeakPolarHBondContact CB-O 3.3Å; R90-I139 PolarHBondContact N-O 3.37Å; F111-I139 HydrophobicContact CE1-CD1 4.11Å; F111-I139 HydrophobicContact CZ-CD1 4.44Å; F111-I139 HydrophobicContact CZ-CG2 4.18Å; A137-I139 VanDerWaalsContact C-N 3.31Å; A137-I139 PolarHBondContact O-N 3.17Å; I139-I141 HydrophobicContact CG2-CD1 4.37Å; I139-I141 HydrophobicContact CG2-CG1 4.05Å; I139-G173 WeakPolarHBondContact CG2-O 3.39Å; I139-L203 HydrophobicContact CG2-CD2 4.48Å; I139-A206 HydrophobicContact CD1-CB 4.19Å |
| 140 | I | 91.3 | Very high | 72.7 | Confident | 16 Ų | 16 | 55.8 Ų | 55.8 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.3 | 173.8 | -52.3 | 170 | 0 | 0 | 0 | 109.1 | S92 D136 F142 D174 T175 | S92-I140 WeakPolarHBondContact OG-CG2 3.45Å; D136-I140 VanDerWaalsContact CG-CD1 3.49Å; D136-I140 WeakPolarHBondContact OD1-CD1 3.39Å; D136-I140 WeakPolarHBondContact OD2-CD1 3.32Å; I140-F142 HydrophobicContact CG2-CD1 4.21Å; I140-D174 VanDerWaalsContact CB-OD1 3.26Å; I140-D174 WeakPolarHBondContact CB-OD1 3.14Å; I140-D174 WeakPolarHBondContact CG1-OD1 3.29Å; I140-D174 PolarHBondContact N-OD1 3.19Å; I140-D174 WeakPolarHBondContact O-CA 3.46Å; I140-T175 PolarHBondContact O-N 3.26Å |
| 141 | I | 94.8 | Very high | 73.2 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.01 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.1 | 177.3 | -65.1 | 164.7 | 0 | 0 | 0 | 109.4 | Y89 R90 S92 I107 F111 I139 T175 F177 L203 | Y89-I141 HydrophobicContact CD2-CD1 4.28Å; R90-I141 PolarHBondContact O-N 2.86Å; S92-I141 PolarHBondContact N-O 3.48Å; I107-I141 HydrophobicContact CD1-CG2 3.76Å; I107-I141 HydrophobicContact CG2-CD1 3.48Å; I107-I141 VanDerWaalsContact CG2-CD1 3.48Å; F111-I141 HydrophobicContact CE2-CD1 3.51Å; F111-I141 HydrophobicContact CZ-CD1 3.83Å; I139-I141 HydrophobicContact CG2-CD1 4.37Å; I139-I141 HydrophobicContact CG2-CG1 4.05Å; I141-T175 WeakPolarHBondContact CA-O 3.27Å; I141-F177 HydrophobicContact CG2-CD2 4.04Å; I141-F177 HydrophobicContact CG2-CE2 3.64Å; I141-L203 HydrophobicContact CD1-CD2 4.42Å |
| 142 | F | 92.3 | Very high | 74 | Confident | 39 Ų | 39 | 48.5 Ų | 48.5 | 17% | 0.171 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 162.4 | 171.9 | 67.7 | -93.9 | 0 | 0 | 0 | 113.4 | N93 I140 A144 H148 T175 H176 F177 | N93-F142 VanDerWaalsContact OD1-CA 3.23Å; N93-F142 WeakPolarHBondContact OD1-CA 3.39Å; N93-F142 VanDerWaalsContact OD1-CB 3.31Å; N93-F142 WeakPolarHBondContact OD1-CB 3.43Å; I140-F142 HydrophobicContact CG2-CD1 4.21Å; F142-A144 HydrophobicContact CD2-CB 3.98Å; F142-A144 HydrophobicContact CE2-CB 3.87Å; F142-H148 HydrophobicContact CE2-CB 4.08Å; F142-H148 AromaticContact CE2-CD2 3.73Å; F142-H148 AromaticContact CZ-CD2 3.9Å; F142-T175 PolarHBondContact N-O 3.32Å; F142-H176 AromaticContact CD1-CD2 3.62Å; F142-H176 AromaticContact CD1-NE2 3.95Å; F142-H176 AromaticContact CE1-CD2 3.06Å; F142-H176 WeakPolarHBondContact CE1-CD2 3.46Å; F142-H176 AromaticContact CE1-CE1 3.7Å; F142-H176 AromaticContact CE1-CG 3.84Å; F142-H176 AromaticContact CE1-NE2 2.99Å; F142-H176 WeakPolarHBondContact CE1-NE2 3.25Å; F142-H176 HydrophobicContact CE2-CB 4.45Å; F142-H176 AromaticContact CE2-CD2 4Å; F142-H176 AromaticContact CE2-CG 3.97Å; F142-H176 HydrophobicContact CZ-CB 4.47Å; F142-H176 AromaticContact CZ-CD2 3.27Å; F142-H176 WeakPolarHBondContact CZ-CD2 3.44Å; F142-H176 AromaticContact CZ-CE1 3.45Å; F142-H176 VanDerWaalsContact CZ-CE1 3.45Å; F142-H176 WeakPolarHBondContact CZ-CE1 3.24Å; F142-H176 AromaticContact CZ-CG 3.54Å; F142-H176 AromaticContact CZ-ND1 3.6Å; F142-H176 AromaticContact CZ-NE2 3.25Å; F142-H176 WeakPolarHBondContact CZ-NE2 3.31Å; F142-H176 WeakPolarHBondContact O-CA 3.47Å; F142-F177 PolarHBondContact O-N 2.92Å |
| 143 | F | 93.5 | Very high | 75.3 | Confident | 8 Ų | 8 | 44.8 Ų | 44.8 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 130.8 | 177.4 | -63.1 | -97 | 0 | 0 | 0 | 108.8 | N93 T95 T103 I107 F177 L195 | N93-F143 PolarHBondContact ND2-O 3.02Å; N93-F143 WeakPolarHBondContact O-CD2 3.38Å; N93-F143 PolarHBondContact OD1-N 3.2Å; T95-F143 HydrophobicContact CG2-CD1 4.03Å; T95-F143 HydrophobicContact CG2-CE1 3.6Å; T95-F143 HydrophobicContact CG2-CZ 3.91Å; T103-F143 HydrophobicContact CG2-CE2 3.49Å; T103-F143 VanDerWaalsContact CG2-CE2 3.49Å; T103-F143 HydrophobicContact CG2-CZ 3.61Å; I107-F143 HydrophobicContact CD1-CE2 4.26Å; I107-F143 HydrophobicContact CD1-CZ 4.41Å; F143-F177 WeakPolarHBondContact CA-O 3.16Å; F143-F177 HydrophobicContact CD1-CB 3.41Å; F143-F177 VanDerWaalsContact CD1-CB 3.41Å; F143-F177 HydrophobicContact CD1-CG 4.18Å; F143-F177 HydrophobicContact CE1-CB 3.48Å; F143-F177 VanDerWaalsContact CE1-CB 3.48Å; F143-F177 HydrophobicContact CE1-CD1 4.38Å; F143-F177 HydrophobicContact CE1-CD2 4.16Å; F143-F177 AromaticContact CE1-CG 3.77Å; F143-F177 HydrophobicContact CE1-CG 3.77Å; F143-F177 HydrophobicContact CE2-CD2 4.48Å; F143-F177 HydrophobicContact CG-CB 4.14Å; F143-F177 HydrophobicContact CZ-CB 4.25Å; F143-F177 HydrophobicContact CZ-CD2 4.09Å; F143-F177 HydrophobicContact CZ-CG 4.14Å; F143-L195 HydrophobicContact CE1-CD1 3.76Å; F143-L195 HydrophobicContact CE1-CD2 4.4Å; F143-L195 HydrophobicContact CZ-CD1 3.84Å; F143-L195 HydrophobicContact CZ-CD2 4.05Å |
| 144 | A | 85.7 | Confident | 77 | Confident | 17 Ų | 17 | 38 Ų | 38 | 14% | 0.14 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 161.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | F142 H148 F154 F177 D178 S179 | F142-A144 HydrophobicContact CD2-CB 3.98Å; F142-A144 HydrophobicContact CE2-CB 3.87Å; A144-H148 HydrophobicContact CB-CB 3.22Å; A144-F154 WeakPolarHBondContact O-CD2 3.37Å; A144-F154 WeakPolarHBondContact O-CE2 3.5Å; A144-F177 PolarHBondContact N-O 2.87Å; A144-D178 CarbonylContact O-C 3.58Å; A144-D178 WeakPolarHBondContact O-CA 3.26Å; A144-S179 PolarHBondContact O-N 3.09Å; A144-S179 PolarHBondContact O-OG 3.03Å |
| 145 | S | 84.2 | Confident | 78.3 | Confident | 56 Ų | 56 | 38.7 Ų | 38.7 | 39% | 0.392 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -111.2 | 148.4 | 175.1 | 164.5 | 0 | 0 | 0 | 0 | 109.1 | F147 S179 D180 | S145-F147 PolarHBondContact O-N 3.45Å; S145-S179 VanDerWaalsContact CB-OG 3.25Å; S145-S179 WeakPolarHBondContact CB-OG 3.41Å; S145-S179 PolarHBondContact N-OG 3.35Å; S145-S179 VanDerWaalsContact N-OG 3.15Å; S145-D180 WeakPolarHBondContact CB-OD1 3.35Å; S145-D180 WeakPolarHBondContact CB-OD2 3.13Å; S145-D180 VanDerWaalsContact OG-CG 3.28Å; S145-D180 PolarHBondContact OG-OD1 3.12Å; S145-D180 PolarHBondContact OG-OD2 3.02Å |
| 146 | G | 78.6 | Confident | 79.5 | Confident | 18 Ų | 18 | 30.8 Ų | 30.8 | 19% | 0.186 | 20% | 0.196 | C | C | . | . | S | Bend | trans | 59 | -134.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | H148 P153 F154 | G146-H148 PolarHBondContact O-ND1 3.29Å; G146-P153 WeakPolarHBondContact O-CA 3.44Å; G146-F154 PolarHBondContact O-N 2.75Å |
| 147 | F | 73.1 | Confident | 80.3 | Confident | 21 Ų | 21 | 33.5 Ų | 33.5 | 9% | 0.092 | 21% | 0.206 | C | C | . | . | trans | -83.5 | 129.8 | 177 | 172.9 | -87 | 0 | 0 | 0 | 111.1 | S145 D150 P153 F340 E372 V373 | S145-F147 PolarHBondContact O-N 3.45Å; F147-D150 WeakPolarHBondContact CE2-O 3.33Å; F147-P153 HydrophobicContact CB-CB 4.12Å; F147-F340 HydrophobicContact CE2-CZ 4.43Å; F147-E372 HydrophobicContact CB-CB 3.65Å; F147-E372 HydrophobicContact CB-CG 3.81Å; F147-E372 VanDerWaalsContact CB-OE2 3.25Å; F147-E372 WeakPolarHBondContact CB-OE2 3.18Å; F147-E372 HydrophobicContact CD1-CB 3.93Å; F147-E372 HydrophobicContact CD1-CG 3.65Å; F147-E372 HydrophobicContact CD2-CB 4.2Å; F147-E372 HydrophobicContact CE1-CG 4.41Å; F147-E372 HydrophobicContact CG-CB 3.68Å; F147-E372 HydrophobicContact CG-CG 3.87Å; F147-V373 HydrophobicContact CD2-CG1 4.07Å; F147-V373 HydrophobicContact CD2-CG2 4.46Å; F147-V373 HydrophobicContact CE2-CG1 4.05Å | ||
| 148 | H | 71 | Confident | 79.9 | Confident | 25 Ų | 25 | 34.4 Ų | 34.4 | 12% | 0.116 | 22% | 0.216 | C | C | . | . | trans | -137.7 | 32 | -165.4 | 53.3 | -92.4 | 0 | 0 | 0 | 113.4 | F142 A144 G146 D150 S152 F154 H163 H176 | F142-H148 HydrophobicContact CE2-CB 4.08Å; F142-H148 AromaticContact CE2-CD2 3.73Å; F142-H148 AromaticContact CZ-CD2 3.9Å; A144-H148 HydrophobicContact CB-CB 3.22Å; G146-H148 PolarHBondContact O-ND1 3.29Å; H148-D150 IonicContact CD2-OD2 2.92Å; H148-D150 IonicContact NE2-OD1 3.51Å; H148-D150 IonicContact NE2-OD2 3.95Å; H148-D150 PolarHBondContact NE2-OD2 2.89Å; H148-S152 PolarHBondContact CE1-O 3.39Å; H148-F154 AromaticContact CE1-CD2 3.24Å; H148-F154 WeakPolarHBondContact CE1-CD2 3.37Å; H148-F154 AromaticContact CE1-CE2 3.12Å; H148-F154 WeakPolarHBondContact CE1-CE2 3.34Å; H148-F154 AromaticContact CE1-CG 3.83Å; H148-F154 AromaticContact CE1-CZ 3.59Å; H148-F154 AromaticContact ND1-CD2 3.36Å; H148-F154 WeakPolarHBondContact ND1-CD2 3.39Å; H148-F154 AromaticContact ND1-CE2 3.52Å; H148-F154 AromaticContact NE2-CE2 3.59Å; H148-F154 AromaticContact NE2-CZ 3.85Å; H148-H163 AromaticContact CE1-CE1 3.65Å; H148-H163 AromaticContact NE2-CE1 3.24Å; H148-H163 PolarHBondContact NE2-CE1 3.07Å; H148-H163 AromaticContact NE2-NE2 3.57Å; H148-H176 AromaticContact CD2-CG 3.77Å; H148-H176 AromaticContact CD2-ND1 3.16Å; H148-H176 PolarHBondContact CD2-ND1 3.37Å; H148-H176 AromaticContact NE2-CG 3.67Å; H148-H176 AromaticContact NE2-ND1 3.05Å; H148-H176 PolarHBondContact NE2-ND1 2.78Å | ||
| 149 | G | 59.4 | Low | 79.6 | Confident | 45 Ų | 45 | 32.9 Ų | 32.9 | 46% | 0.464 | 21% | 0.212 | S | C | . | . | S | Bend | trans | 108.3 | -8.5 | 170 | 0 | 0 | 0 | 0 | 0 | 115.3 | R323 | G149-R323 PolarHBondContact O-NH2 3.29Å; G149-R323 VanDerWaalsContact O-NH2 3.08Å |
| 150 | D | 69.1 | Low | 79.1 | Confident | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -120.7 | -164.7 | -175.4 | 75.2 | 9.9 | 0 | 0 | 0 | 113 | F147 H148 S152 H163 Y165 H176 | F147-D150 WeakPolarHBondContact CE2-O 3.33Å; H148-D150 IonicContact CD2-OD2 2.92Å; H148-D150 IonicContact NE2-OD1 3.51Å; H148-D150 IonicContact NE2-OD2 3.95Å; H148-D150 PolarHBondContact NE2-OD2 2.89Å; D150-S152 PolarHBondContact OD1-N 3.28Å; D150-H163 IonicContact OD2-CD2 3.39Å; D150-H163 IonicContact OD2-CE1 3.14Å; D150-H163 PolarHBondContact OD2-CE1 3.23Å; D150-H163 IonicContact OD2-NE2 3.68Å; D150-H163 PolarHBondContact OD2-NE2 2.91Å; D150-Y165 HydrophobicContact CB-CE2 4.02Å; D150-Y165 VanDerWaalsContact CB-OH 3.3Å; D150-Y165 WeakPolarHBondContact CB-OH 3.35Å; D150-Y165 WeakPolarHBondContact OD2-CE2 3.44Å; D150-Y165 PolarHBondContact OD2-OH 2.84Å; D150-H176 IonicContact OD2-CE1 2.68Å; D150-H176 PolarHBondContact OD2-CE1 2.9Å; D150-H176 IonicContact OD2-ND1 3.51Å; D150-H176 PolarHBondContact OD2-ND1 3.39Å |
| 151 | S | 62.9 | Low | 79 | Confident | 62 Ų | 62 | 33.1 Ų | 33.1 | 43% | 0.434 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -94.2 | 8.1 | -178.3 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | Y165 | S151-Y165 PolarHBondContact N-OH 3.42Å; S151-Y165 PolarHBondContact OG-OH 3.4Å |
| 152 | S | 66.1 | Low | 78.9 | Confident | 38 Ų | 38 | 33 Ų | 33 | 27% | 0.266 | 21% | 0.213 | S | C | . | . | trans | -132.7 | 72.7 | -166.5 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | H148 D150 H163 | H148-S152 PolarHBondContact CE1-O 3.39Å; D150-S152 PolarHBondContact OD1-N 3.28Å; S152-H163 WeakPolarHBondContact CB-CE1 3.46Å; S152-H163 WeakPolarHBondContact CB-ND1 3.26Å; S152-H163 PolarHBondContact O-CE1 2.72Å | ||
| 153 | P | 71.8 | Confident | 78.8 | Confident | 35 Ų | 35 | 31.4 Ų | 31.4 | 23% | 0.227 | 21% | 0.206 | C | C | . | . | trans | -66.3 | 145.7 | -178.5 | 32.9 | -40.1 | 0 | 0 | 0 | 111.7 | G146 F147 V373 | G146-P153 WeakPolarHBondContact O-CA 3.44Å; F147-P153 HydrophobicContact CB-CB 4.12Å; P153-V373 HydrophobicContact CB-CG2 4.22Å; P153-V373 HydrophobicContact CG-CG2 3.63Å | ||
| 154 | F | 80.8 | Confident | 78.7 | Confident | 2 Ų | 2 | 31.3 Ų | 31.3 | 1% | 0.009 | 21% | 0.206 | C | C | . | . | trans | -73.5 | 155.6 | 172 | -65 | -53.1 | 0 | 0 | 0 | 112.8 | A144 G146 H148 F160 H163 H176 F177 D178 | A144-F154 WeakPolarHBondContact O-CD2 3.37Å; A144-F154 WeakPolarHBondContact O-CE2 3.5Å; G146-F154 PolarHBondContact O-N 2.75Å; H148-F154 AromaticContact CE1-CD2 3.24Å; H148-F154 WeakPolarHBondContact CE1-CD2 3.37Å; H148-F154 AromaticContact CE1-CE2 3.12Å; H148-F154 WeakPolarHBondContact CE1-CE2 3.34Å; H148-F154 AromaticContact CE1-CG 3.83Å; H148-F154 AromaticContact CE1-CZ 3.59Å; H148-F154 AromaticContact ND1-CD2 3.36Å; H148-F154 WeakPolarHBondContact ND1-CD2 3.39Å; H148-F154 AromaticContact ND1-CE2 3.52Å; H148-F154 AromaticContact NE2-CE2 3.59Å; H148-F154 AromaticContact NE2-CZ 3.85Å; F154-F160 AromaticContact CD1-CD1 3.87Å; F154-F160 HydrophobicContact CD1-CD1 3.87Å; F154-F160 AromaticContact CD1-CD2 3.93Å; F154-F160 HydrophobicContact CD1-CD2 3.93Å; F154-F160 AromaticContact CD1-CE1 3.96Å; F154-F160 HydrophobicContact CD1-CE1 3.96Å; F154-F160 AromaticContact CD1-CE2 3.93Å; F154-F160 HydrophobicContact CD1-CE2 3.93Å; F154-F160 AromaticContact CD1-CG 3.91Å; F154-F160 HydrophobicContact CD1-CG 3.91Å; F154-F160 HydrophobicContact CD1-CZ 4.04Å; F154-F160 AromaticContact CE1-CD2 3.96Å; F154-F160 HydrophobicContact CE1-CD2 3.96Å; F154-F160 HydrophobicContact CE1-CE1 4.29Å; F154-F160 AromaticContact CE1-CE2 3.63Å; F154-F160 HydrophobicContact CE1-CE2 3.63Å; F154-F160 HydrophobicContact CE1-CG 4.41Å; F154-F160 AromaticContact CE1-CZ 3.9Å; F154-F160 HydrophobicContact CE1-CZ 3.9Å; F154-H163 AromaticContact CE1-ND1 3.84Å; F154-H176 HydrophobicContact CE2-CB 4.12Å; F154-H176 HydrophobicContact CZ-CB 3.74Å; F154-H176 WeakPolarHBondContact CZ-O 3.41Å; F154-F177 VanDerWaalsContact CE2-C 3.48Å; F154-F177 WeakPolarHBondContact CE2-O 3.27Å; F154-D178 HydrophobicContact CB-CB 3.99Å; F154-D178 VanDerWaalsContact CB-CG 3.49Å; F154-D178 VanDerWaalsContact CB-OD2 3.29Å; F154-D178 WeakPolarHBondContact CB-OD2 3.15Å; F154-D178 HydrophobicContact CD1-CB 3.71Å; F154-D178 HydrophobicContact CD2-CB 3.79Å; F154-D178 HydrophobicContact CE1-CB 4.12Å; F154-D178 HydrophobicContact CE2-CB 4.17Å; F154-D178 HydrophobicContact CG-CB 3.55Å; F154-D178 HydrophobicContact CZ-CB 4.35Å | ||
| 155 | D | 76.8 | Confident | 78.7 | Confident | 90 Ų | 90 | 32.7 Ų | 32.7 | 48% | 0.481 | 21% | 0.208 | S | C | . | . | trans | -100.6 | -4.3 | -176.3 | 59.7 | -5.9 | 0 | 0 | 0 | 114.5 | F160 | D155-F160 WeakPolarHBondContact OD1-CB 3.34Å; D155-F160 PolarHBondContact OD1-N 3.32Å; D155-F160 VanDerWaalsContact OD1-N 3.09Å | ||
| 156 | G | 80.8 | Confident | 78.9 | Confident | 12 Ų | 12 | 31.8 Ų | 31.8 | 12% | 0.124 | 20% | 0.197 | C | C | . | . | S | Bend | trans | 101.7 | -152.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | G158 D178 | G156-G158 PolarHBondContact O-N 3.35Å; G156-D178 PolarHBondContact N-OD2 3.47Å |
| 157 | E | 85.1 | Confident | 79.4 | Confident | 150 Ų | 150 | 31.3 Ų | 31.3 | 70% | 0.701 | 19% | 0.191 | S | C | * | . | S | Bend | trans | -67.2 | 122.3 | -177.8 | -167.8 | 178.8 | 176.6 | 0 | 0 | 112.8 | ||
| 158 | G | 78.2 | Confident | 79.7 | Confident | 30 Ų | 30 | 31.5 Ų | 31.5 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | S | Bend | trans | 81.5 | 162.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | G156 F160 E181 | G156-G158 PolarHBondContact O-N 3.35Å; G158-F160 PolarHBondContact O-N 2.94Å; G158-E181 VanDerWaalsContact C-OE1 3.28Å; G158-E181 WeakPolarHBondContact CA-OE1 3.48Å; G158-E181 VanDerWaalsContact N-CD 3.26Å; G158-E181 PolarHBondContact N-OE1 2.93Å; G158-E181 PolarHBondContact N-OE2 3.48Å |
| 159 | G | 83.4 | Confident | 79.8 | Confident | 19 Ų | 19 | 33.9 Ų | 33.9 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | S | Bend | trans | 85.9 | -91.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P56 R57 | P56-G159 CarbonylContact C-O 3.5Å; P56-G159 WeakPolarHBondContact CA-O 3.43Å; R57-G159 PolarHBondContact N-O 3.37Å; R57-G159 VanDerWaalsContact O-O 3.09Å |
| 160 | F | 82.1 | Confident | 80.6 | Confident | 19 Ų | 19 | 35.1 Ų | 35.1 | 8% | 0.083 | 24% | 0.235 | C | C | . | . | B | Isolated β-bridge | trans | -95 | 98 | -172.9 | -172.3 | 177.2 | 0 | 0 | 0 | 112 | G59 F154 D155 G158 A162 H163 | G59-F160 VanDerWaalsContact CA-CD2 3.44Å; F154-F160 AromaticContact CD1-CD1 3.87Å; F154-F160 HydrophobicContact CD1-CD1 3.87Å; F154-F160 AromaticContact CD1-CD2 3.93Å; F154-F160 HydrophobicContact CD1-CD2 3.93Å; F154-F160 AromaticContact CD1-CE1 3.96Å; F154-F160 HydrophobicContact CD1-CE1 3.96Å; F154-F160 AromaticContact CD1-CE2 3.93Å; F154-F160 HydrophobicContact CD1-CE2 3.93Å; F154-F160 AromaticContact CD1-CG 3.91Å; F154-F160 HydrophobicContact CD1-CG 3.91Å; F154-F160 HydrophobicContact CD1-CZ 4.04Å; F154-F160 AromaticContact CE1-CD2 3.96Å; F154-F160 HydrophobicContact CE1-CD2 3.96Å; F154-F160 HydrophobicContact CE1-CE1 4.29Å; F154-F160 AromaticContact CE1-CE2 3.63Å; F154-F160 HydrophobicContact CE1-CE2 3.63Å; F154-F160 HydrophobicContact CE1-CG 4.41Å; F154-F160 AromaticContact CE1-CZ 3.9Å; F154-F160 HydrophobicContact CE1-CZ 3.9Å; D155-F160 WeakPolarHBondContact OD1-CB 3.34Å; D155-F160 PolarHBondContact OD1-N 3.32Å; D155-F160 VanDerWaalsContact OD1-N 3.09Å; G158-F160 PolarHBondContact O-N 2.94Å; F160-A162 VanDerWaalsContact CE2-C 3.42Å; F160-A162 WeakPolarHBondContact CE2-O 3.36Å; F160-H163 AromaticContact CE1-ND1 3.97Å; F160-H163 HydrophobicContact CE2-CB 3.72Å; F160-H163 AromaticContact CE2-ND1 3.63Å; F160-H163 HydrophobicContact CZ-CB 3.81Å; F160-H163 AromaticContact CZ-CG 3.81Å; F160-H163 AromaticContact CZ-ND1 3.04Å; F160-H163 WeakPolarHBondContact CZ-ND1 3.48Å |
| 161 | L | 90.3 | Very high | 80.8 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.016 | 26% | 0.255 | C | S | . | . | trans | -72 | -47.7 | -174.9 | -58.9 | -169.5 | 0 | 0 | 0 | 114.2 | P56 R57 D178 E181 W183 N193 V198 Y223 | P56-L161 HydrophobicContact CB-CD1 4.04Å; P56-L161 HydrophobicContact CB-CD2 3.64Å; P56-L161 HydrophobicContact CB-CG 3.93Å; R57-L161 PolarHBondContact O-N 3.48Å; L161-D178 WeakPolarHBondContact O-CB 3.49Å; L161-D178 PolarHBondContact O-N 3.48Å; L161-E181 HydrophobicContact CD2-CG 3.87Å; L161-E181 VanDerWaalsContact CD2-OE1 3.29Å; L161-E181 WeakPolarHBondContact CD2-OE1 3.4Å; L161-E181 WeakPolarHBondContact CD2-OE2 3.41Å; L161-W183 HydrophobicContact CB-CH2 4.41Å; L161-W183 WeakPolarHBondContact O-CZ2 3.22Å; L161-N193 HydrophobicContact CD1-CB 4.26Å; L161-N193 HydrophobicContact CD2-CB 4.39Å; L161-N193 VanDerWaalsContact CD2-ND2 3.27Å; L161-N193 WeakPolarHBondContact CD2-ND2 3.42Å; L161-V198 HydrophobicContact CB-CG1 4.33Å; L161-V198 HydrophobicContact CD1-CG2 3.77Å; L161-Y223 HydrophobicContact CD1-CD2 3.8Å; L161-Y223 HydrophobicContact CD1-CG 3.79Å | ||
| 162 | A | 92.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 160.3 | -172.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | G59 F160 H176 F177 V198 E202 | G59-A162 PolarHBondContact N-O 3.2Å; G59-A162 VanDerWaalsContact N-O 3.13Å; F160-A162 VanDerWaalsContact CE2-C 3.42Å; F160-A162 WeakPolarHBondContact CE2-O 3.36Å; A162-H176 VanDerWaalsContact CA-O 3.25Å; A162-H176 WeakPolarHBondContact CA-O 3.33Å; A162-H176 VanDerWaalsContact CB-O 3.24Å; A162-H176 WeakPolarHBondContact CB-O 3.48Å; A162-F177 HydrophobicContact CB-CD1 3.79Å; A162-F177 HydrophobicContact CB-CE1 4.26Å; A162-F177 HydrophobicContact CB-CG 4.32Å; A162-V198 HydrophobicContact CB-CG1 3.6Å; A162-E202 HydrophobicContact CB-CG 3.55Å |
| 163 | H | 88.6 | Confident | 82.6 | Confident | 5 Ų | 5 | 34.5 Ų | 34.5 | 2% | 0.023 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 159.1 | 166.7 | 60.8 | -119.2 | 0 | 0 | 0 | 110.8 | V60 H148 D150 S152 F154 F160 H176 E202 | V60-H163 HydrophobicContact CG2-CB 4.11Å; H148-H163 AromaticContact CE1-CE1 3.65Å; H148-H163 AromaticContact NE2-CE1 3.24Å; H148-H163 PolarHBondContact NE2-CE1 3.07Å; H148-H163 AromaticContact NE2-NE2 3.57Å; D150-H163 IonicContact OD2-CD2 3.39Å; D150-H163 IonicContact OD2-CE1 3.14Å; D150-H163 PolarHBondContact OD2-CE1 3.23Å; D150-H163 IonicContact OD2-NE2 3.68Å; D150-H163 PolarHBondContact OD2-NE2 2.91Å; S152-H163 WeakPolarHBondContact CB-CE1 3.46Å; S152-H163 WeakPolarHBondContact CB-ND1 3.26Å; S152-H163 PolarHBondContact O-CE1 2.72Å; F154-H163 AromaticContact CE1-ND1 3.84Å; F160-H163 AromaticContact CE1-ND1 3.97Å; F160-H163 HydrophobicContact CE2-CB 3.72Å; F160-H163 AromaticContact CE2-ND1 3.63Å; F160-H163 HydrophobicContact CZ-CB 3.81Å; F160-H163 AromaticContact CZ-CG 3.81Å; F160-H163 AromaticContact CZ-ND1 3.04Å; F160-H163 WeakPolarHBondContact CZ-ND1 3.48Å; H163-H176 AromaticContact CD2-ND1 3.89Å; H163-H176 AromaticContact CE1-ND1 3.85Å; H163-H176 PolarHBondContact N-O 2.99Å; H163-H176 AromaticContact NE2-CE1 3.86Å; H163-H176 AromaticContact NE2-CG 3.56Å; H163-H176 AromaticContact NE2-ND1 3.02Å; H163-H176 PolarHBondContact NE2-ND1 3.39Å; H163-H176 PolarHBondContact O-N 3.06Å; H163-E202 WeakPolarHBondContact CA-OE2 3.31Å |
| 164 | A | 91.9 | Very high | 83.4 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 151 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D174 T175 E202 H205 A206 | A164-D174 CarbonylContact C-O 3.52Å; A164-D174 VanDerWaalsContact CA-O 3.27Å; A164-D174 WeakPolarHBondContact CA-O 3.13Å; A164-T175 HydrophobicContact CB-CG2 4.14Å; A164-T175 WeakPolarHBondContact CB-OG1 3.4Å; A164-E202 HydrophobicContact CB-CB 4.03Å; A164-E202 WeakPolarHBondContact CB-O 3.28Å; A164-E202 PolarHBondContact N-OE2 2.96Å; A164-E202 VanDerWaalsContact N-OE2 3.08Å; A164-H205 HydrophobicContact CB-CB 3.96Å; A164-A206 HydrophobicContact CB-CB 4.33Å |
| 165 | Y | 85.6 | Confident | 84.1 | Confident | 45 Ų | 45 | 33.2 Ų | 33.2 | 18% | 0.176 | 22% | 0.216 | C | C | . | . | P | Polyproline II helix | trans | -84.2 | 145 | 170.7 | -74.3 | -81.5 | 0 | 0 | 0 | 110.6 | D150 S151 I171 G173 D174 A206 | D150-Y165 HydrophobicContact CB-CE2 4.02Å; D150-Y165 VanDerWaalsContact CB-OH 3.3Å; D150-Y165 WeakPolarHBondContact CB-OH 3.35Å; D150-Y165 WeakPolarHBondContact OD2-CE2 3.44Å; D150-Y165 PolarHBondContact OD2-OH 2.84Å; S151-Y165 PolarHBondContact N-OH 3.42Å; S151-Y165 PolarHBondContact OG-OH 3.4Å; Y165-I171 VanDerWaalsContact CB-O 3.24Å; Y165-I171 WeakPolarHBondContact CB-O 3.35Å; Y165-I171 HydrophobicContact CD1-CD1 4.08Å; Y165-I171 HydrophobicContact CD1-CG1 4.43Å; Y165-I171 HydrophobicContact CD2-CD1 4.15Å; Y165-I171 HydrophobicContact CD2-CG1 4.4Å; Y165-I171 HydrophobicContact CE1-CD1 3.81Å; Y165-I171 HydrophobicContact CE2-CD1 3.88Å; Y165-I171 HydrophobicContact CG-CD1 4.25Å; Y165-I171 HydrophobicContact CG-CG1 4.32Å; Y165-G173 VanDerWaalsContact O-CA 3.25Å; Y165-G173 WeakPolarHBondContact O-CA 3.19Å; Y165-G173 PolarHBondContact O-N 3.06Å; Y165-G173 VanDerWaalsContact O-N 3.08Å; Y165-D174 PolarHBondContact N-O 2.95Å; Y165-A206 WeakPolarHBondContact O-CA 3.12Å |
| 166 | F | 87.6 | Confident | 84.8 | Confident | 37 Ų | 37 | 29.1 Ų | 29.1 | 16% | 0.162 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -66.8 | 160.3 | 175.8 | -62.5 | -60.4 | 0 | 0 | 0 | 112.2 | V60 T78 G168 G172 G173 H205 L209 E210 | V60-F166 HydrophobicContact CG1-CE2 4.42Å; V60-F166 HydrophobicContact CG1-CZ 3.92Å; T78-F166 HydrophobicContact CG2-CD1 3.32Å; T78-F166 HydrophobicContact CG2-CD2 3.91Å; T78-F166 HydrophobicContact CG2-CE1 3.21Å; T78-F166 HydrophobicContact CG2-CE2 3.79Å; T78-F166 HydrophobicContact CG2-CG 3.68Å; T78-F166 HydrophobicContact CG2-CZ 3.45Å; T78-F166 VanDerWaalsContact CG2-CZ 3.45Å; F166-G168 PolarHBondContact O-N 3.24Å; F166-G172 CarbonylContact O-C 3.6Å; F166-G172 WeakPolarHBondContact O-CA 3.49Å; F166-G173 PolarHBondContact O-N 3.42Å; F166-G173 VanDerWaalsContact O-N 3.1Å; F166-H205 HydrophobicContact CD1-CB 4.43Å; F166-H205 VanDerWaalsContact CD1-O 3.32Å; F166-H205 WeakPolarHBondContact CD1-O 3.32Å; F166-H205 HydrophobicContact CE1-CB 4.15Å; F166-H205 AromaticContact CE1-ND1 3.71Å; F166-L209 WeakPolarHBondContact CE1-O 3.13Å; F166-E210 HydrophobicContact CZ-CG 4.49Å |
| 167 | P | 90.3 | Very high | 85.6 | Confident | 8 Ų | 8 | 28.6 Ų | 28.6 | 5% | 0.052 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -51.7 | 123.4 | 179.9 | -24.9 | 28.7 | 0 | 0 | 0 | 113.2 | Q80 W82 A206 | Q80-P167 PolarHBondContact OE1-O 3.45Å; W82-P167 HydrophobicContact CD2-CB 3.97Å; W82-P167 HydrophobicContact CG-CB 4.06Å; W82-P167 HydrophobicContact CG-CG 4.49Å; W82-P167 HydrophobicContact CZ2-CB 4.24Å; P167-A206 VanDerWaalsContact CG-O 3.31Å; P167-A206 WeakPolarHBondContact CG-O 3.47Å |
| 168 | G | 79.8 | Confident | 86 | Confident | 25 Ų | 25 | 21.5 Ų | 21.5 | 26% | 0.258 | 16% | 0.155 | S | C | . | . | trans | -173.2 | -176.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | F166 | F166-G168 PolarHBondContact O-N 3.24Š| ||
| 169 | A | 72.8 | Confident | 86.7 | Confident | 76 Ų | 76 | 21.7 Ų | 21.7 | 63% | 0.628 | 15% | 0.152 | S | C | * | . | S | Bend | trans | -86.1 | 157.3 | 175 | 0 | 0 | 0 | 0 | 0 | 110.9 | I171 G172 | A169-I171 PolarHBondContact O-N 3.25Å; A169-G172 PolarHBondContact O-N 3.2Å |
| 170 | G | 76.9 | Confident | 87.1 | Confident | 70 Ų | 70 | 23.7 Ų | 23.7 | 72% | 0.722 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | -111.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G172 | G170-G172 VanDerWaalsContact C-N 3.28Š|
| 171 | I | 72 | Confident | 87.6 | Confident | 87 Ų | 87 | 22.8 Ų | 22.8 | 45% | 0.446 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -0.6 | -180 | 66.2 | 174 | 0 | 0 | 0 | 113.3 | Y165 A169 G173 D174 | Y165-I171 VanDerWaalsContact CB-O 3.24Å; Y165-I171 WeakPolarHBondContact CB-O 3.35Å; Y165-I171 HydrophobicContact CD1-CD1 4.08Å; Y165-I171 HydrophobicContact CD1-CG1 4.43Å; Y165-I171 HydrophobicContact CD2-CD1 4.15Å; Y165-I171 HydrophobicContact CD2-CG1 4.4Å; Y165-I171 HydrophobicContact CE1-CD1 3.81Å; Y165-I171 HydrophobicContact CE2-CD1 3.88Å; Y165-I171 HydrophobicContact CG-CD1 4.25Å; Y165-I171 HydrophobicContact CG-CG1 4.32Å; A169-I171 PolarHBondContact O-N 3.25Å; I171-G173 PolarHBondContact O-N 3.19Å; I171-D174 WeakPolarHBondContact CA-OD2 3.17Å; I171-D174 VanDerWaalsContact O-CB 3.28Å; I171-D174 WeakPolarHBondContact O-CB 3.33Å; I171-D174 PolarHBondContact O-N 3.21Å |
| 172 | G | 80.6 | Confident | 87.6 | Confident | 6 Ų | 6 | 24.7 Ų | 24.7 | 6% | 0.062 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | 121.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | W82 F166 A169 G170 | W82-G172 VanDerWaalsContact CH2-O 3.27Å; W82-G172 WeakPolarHBondContact CH2-O 3.46Å; F166-G172 CarbonylContact O-C 3.6Å; F166-G172 WeakPolarHBondContact O-CA 3.49Å; A169-G172 PolarHBondContact O-N 3.2Å; G170-G172 VanDerWaalsContact C-N 3.28Å |
| 173 | G | 85.6 | Confident | 87.6 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 99.2 | -21.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | I139 Y165 F166 I171 T175 A206 | I139-G173 WeakPolarHBondContact CG2-O 3.39Å; Y165-G173 VanDerWaalsContact O-CA 3.25Å; Y165-G173 WeakPolarHBondContact O-CA 3.19Å; Y165-G173 PolarHBondContact O-N 3.06Å; Y165-G173 VanDerWaalsContact O-N 3.08Å; F166-G173 PolarHBondContact O-N 3.42Å; F166-G173 VanDerWaalsContact O-N 3.1Å; I171-G173 PolarHBondContact O-N 3.19Å; G173-T175 PolarHBondContact O-N 3.31Å; G173-T175 PolarHBondContact O-OG1 3.48Å; G173-A206 VanDerWaalsContact O-CB 3.31Å; G173-A206 WeakPolarHBondContact O-CB 3.48Å |
| 174 | D | 89.8 | Confident | 87.8 | Confident | 9 Ų | 9 | 26.2 Ų | 26.2 | 5% | 0.048 | 18% | 0.176 | C | C | . | . | trans | -60.4 | 137.8 | -178.1 | -71 | -8 | 0 | 0 | 0 | 110.8 | I140 A164 Y165 I171 | I140-D174 VanDerWaalsContact CB-OD1 3.26Å; I140-D174 WeakPolarHBondContact CB-OD1 3.14Å; I140-D174 WeakPolarHBondContact CG1-OD1 3.29Å; I140-D174 PolarHBondContact N-OD1 3.19Å; I140-D174 WeakPolarHBondContact O-CA 3.46Å; A164-D174 CarbonylContact C-O 3.52Å; A164-D174 VanDerWaalsContact CA-O 3.27Å; A164-D174 WeakPolarHBondContact CA-O 3.13Å; Y165-D174 PolarHBondContact N-O 2.95Å; I171-D174 WeakPolarHBondContact CA-OD2 3.17Å; I171-D174 VanDerWaalsContact O-CB 3.28Å; I171-D174 WeakPolarHBondContact O-CB 3.33Å; I171-D174 PolarHBondContact O-N 3.21Å | ||
| 175 | T | 94.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 118.2 | -172.3 | -60.3 | 0 | 0 | 0 | 0 | 109.3 | I140 I141 F142 A164 G173 F177 E202 | I140-T175 PolarHBondContact O-N 3.26Å; I141-T175 WeakPolarHBondContact CA-O 3.27Å; F142-T175 PolarHBondContact N-O 3.32Å; A164-T175 HydrophobicContact CB-CG2 4.14Å; A164-T175 WeakPolarHBondContact CB-OG1 3.4Å; G173-T175 PolarHBondContact O-N 3.31Å; G173-T175 PolarHBondContact O-OG1 3.48Å; T175-F177 HydrophobicContact CG2-CD2 4.31Å; T175-F177 HydrophobicContact CG2-CE2 3.54Å; T175-F177 HydrophobicContact CG2-CZ 3.78Å; T175-E202 HydrophobicContact CG2-CB 3.52Å; T175-E202 HydrophobicContact CG2-CG 4.26Å |
| 176 | H | 93.2 | Very high | 87 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 2% | 0.023 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 135.9 | -174.8 | -51.9 | 164.9 | 0 | 0 | 0 | 109.8 | F142 H148 D150 F154 A162 H163 | F142-H176 AromaticContact CD1-CD2 3.62Å; F142-H176 AromaticContact CD1-NE2 3.95Å; F142-H176 AromaticContact CE1-CD2 3.06Å; F142-H176 WeakPolarHBondContact CE1-CD2 3.46Å; F142-H176 AromaticContact CE1-CE1 3.7Å; F142-H176 AromaticContact CE1-CG 3.84Å; F142-H176 AromaticContact CE1-NE2 2.99Å; F142-H176 WeakPolarHBondContact CE1-NE2 3.25Å; F142-H176 HydrophobicContact CE2-CB 4.45Å; F142-H176 AromaticContact CE2-CD2 4Å; F142-H176 AromaticContact CE2-CG 3.97Å; F142-H176 HydrophobicContact CZ-CB 4.47Å; F142-H176 AromaticContact CZ-CD2 3.27Å; F142-H176 WeakPolarHBondContact CZ-CD2 3.44Å; F142-H176 AromaticContact CZ-CE1 3.45Å; F142-H176 VanDerWaalsContact CZ-CE1 3.45Å; F142-H176 WeakPolarHBondContact CZ-CE1 3.24Å; F142-H176 AromaticContact CZ-CG 3.54Å; F142-H176 AromaticContact CZ-ND1 3.6Å; F142-H176 AromaticContact CZ-NE2 3.25Å; F142-H176 WeakPolarHBondContact CZ-NE2 3.31Å; F142-H176 WeakPolarHBondContact O-CA 3.47Å; H148-H176 AromaticContact CD2-CG 3.77Å; H148-H176 AromaticContact CD2-ND1 3.16Å; H148-H176 PolarHBondContact CD2-ND1 3.37Å; H148-H176 AromaticContact NE2-CG 3.67Å; H148-H176 AromaticContact NE2-ND1 3.05Å; H148-H176 PolarHBondContact NE2-ND1 2.78Å; D150-H176 IonicContact OD2-CE1 2.68Å; D150-H176 PolarHBondContact OD2-CE1 2.9Å; D150-H176 IonicContact OD2-ND1 3.51Å; D150-H176 PolarHBondContact OD2-ND1 3.39Å; F154-H176 HydrophobicContact CE2-CB 4.12Å; F154-H176 HydrophobicContact CZ-CB 3.74Å; F154-H176 WeakPolarHBondContact CZ-O 3.41Å; A162-H176 VanDerWaalsContact CA-O 3.25Å; A162-H176 WeakPolarHBondContact CA-O 3.33Å; A162-H176 VanDerWaalsContact CB-O 3.24Å; A162-H176 WeakPolarHBondContact CB-O 3.48Å; H163-H176 AromaticContact CD2-ND1 3.89Å; H163-H176 AromaticContact CE1-ND1 3.85Å; H163-H176 PolarHBondContact N-O 2.99Å; H163-H176 AromaticContact NE2-CE1 3.86Å; H163-H176 AromaticContact NE2-CG 3.56Å; H163-H176 AromaticContact NE2-ND1 3.02Å; H163-H176 PolarHBondContact NE2-ND1 3.39Å; H163-H176 PolarHBondContact O-N 3.06Å |
| 177 | F | 96.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 28.6 Ų | 28.6 | 0% | 0.004 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 135.7 | 178.1 | -65.1 | -92.2 | 0 | 0 | 0 | 110 | I141 F142 F143 A144 F154 A162 T175 S179 W183 L195 V198 A199 | I141-F177 HydrophobicContact CG2-CD2 4.04Å; I141-F177 HydrophobicContact CG2-CE2 3.64Å; F142-F177 PolarHBondContact O-N 2.92Å; F143-F177 WeakPolarHBondContact CA-O 3.16Å; F143-F177 HydrophobicContact CD1-CB 3.41Å; F143-F177 VanDerWaalsContact CD1-CB 3.41Å; F143-F177 HydrophobicContact CD1-CG 4.18Å; F143-F177 HydrophobicContact CE1-CB 3.48Å; F143-F177 VanDerWaalsContact CE1-CB 3.48Å; F143-F177 HydrophobicContact CE1-CD1 4.38Å; F143-F177 HydrophobicContact CE1-CD2 4.16Å; F143-F177 AromaticContact CE1-CG 3.77Å; F143-F177 HydrophobicContact CE1-CG 3.77Å; F143-F177 HydrophobicContact CE2-CD2 4.48Å; F143-F177 HydrophobicContact CG-CB 4.14Å; F143-F177 HydrophobicContact CZ-CB 4.25Å; F143-F177 HydrophobicContact CZ-CD2 4.09Å; F143-F177 HydrophobicContact CZ-CG 4.14Å; A144-F177 PolarHBondContact N-O 2.87Å; F154-F177 VanDerWaalsContact CE2-C 3.48Å; F154-F177 WeakPolarHBondContact CE2-O 3.27Å; A162-F177 HydrophobicContact CB-CD1 3.79Å; A162-F177 HydrophobicContact CB-CE1 4.26Å; A162-F177 HydrophobicContact CB-CG 4.32Å; T175-F177 HydrophobicContact CG2-CD2 4.31Å; T175-F177 HydrophobicContact CG2-CE2 3.54Å; T175-F177 HydrophobicContact CG2-CZ 3.78Å; F177-S179 PolarHBondContact O-N 3.29Å; F177-W183 HydrophobicContact CB-CH2 4.5Å; F177-W183 HydrophobicContact CB-CZ2 3.88Å; F177-W183 AromaticContact CD1-CH2 3.75Å; F177-W183 HydrophobicContact CD1-CH2 3.75Å; F177-W183 AromaticContact CD1-CZ2 3.99Å; F177-W183 HydrophobicContact CD1-CZ2 3.99Å; F177-W183 HydrophobicContact CD1-CZ3 4.4Å; F177-W183 HydrophobicContact CG-CZ2 4.44Å; F177-L195 HydrophobicContact CD1-CD1 3.78Å; F177-L195 HydrophobicContact CE1-CD1 3.82Å; F177-L195 HydrophobicContact CG-CD1 4.4Å; F177-L195 HydrophobicContact CZ-CD1 4.48Å; F177-V198 HydrophobicContact CD1-CG1 4.26Å; F177-V198 HydrophobicContact CE1-CB 4.46Å; F177-V198 HydrophobicContact CE1-CG1 4.03Å; F177-A199 HydrophobicContact CE1-CB 4.03Å; F177-A199 HydrophobicContact CZ-CB 3.74Å |
| 178 | D | 94.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 114.9 | 176.3 | -171.7 | -8.3 | 0 | 0 | 0 | 110 | A144 F154 G156 L161 D180 E181 W183 | A144-D178 CarbonylContact O-C 3.58Å; A144-D178 WeakPolarHBondContact O-CA 3.26Å; F154-D178 HydrophobicContact CB-CB 3.99Å; F154-D178 VanDerWaalsContact CB-CG 3.49Å; F154-D178 VanDerWaalsContact CB-OD2 3.29Å; F154-D178 WeakPolarHBondContact CB-OD2 3.15Å; F154-D178 HydrophobicContact CD1-CB 3.71Å; F154-D178 HydrophobicContact CD2-CB 3.79Å; F154-D178 HydrophobicContact CE1-CB 4.12Å; F154-D178 HydrophobicContact CE2-CB 4.17Å; F154-D178 HydrophobicContact CG-CB 3.55Å; F154-D178 HydrophobicContact CZ-CB 4.35Å; G156-D178 PolarHBondContact N-OD2 3.47Å; L161-D178 WeakPolarHBondContact O-CB 3.49Å; L161-D178 PolarHBondContact O-N 3.48Å; D178-D180 PolarHBondContact O-N 3.08Å; D178-D180 WeakPolarHBondContact OD1-CB 3.24Å; D178-D180 PolarHBondContact OD1-N 3.18Å; D178-E181 HydrophobicContact CB-CG 3.85Å; D178-E181 PolarHBondContact O-N 3.26Å; D178-W183 PolarHBondContact O-NE1 3.09Å |
| 179 | S | 92.8 | Very high | 83.7 | Confident | 35 Ų | 35 | 36 Ų | 36 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -17.4 | 178.9 | 63.7 | 0 | 0 | 0 | 0 | 113.5 | K97 A144 S145 F177 | K97-S179 PolarHBondContact NZ-O 3.13Å; A144-S179 PolarHBondContact O-N 3.09Å; A144-S179 PolarHBondContact O-OG 3.03Å; S145-S179 VanDerWaalsContact CB-OG 3.25Å; S145-S179 WeakPolarHBondContact CB-OG 3.41Å; S145-S179 PolarHBondContact N-OG 3.35Å; S145-S179 VanDerWaalsContact N-OG 3.15Å; F177-S179 PolarHBondContact O-N 3.29Å |
| 180 | D | 90.9 | Very high | 83.3 | Confident | 60 Ų | 60 | 37.8 Ų | 37.8 | 32% | 0.321 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | -19.9 | -178.9 | -65.7 | -22.8 | 0 | 0 | 0 | 112.6 | K97 S145 D178 | K97-D180 PolarHBondContact NZ-O 2.84Å; S145-D180 WeakPolarHBondContact CB-OD1 3.35Å; S145-D180 WeakPolarHBondContact CB-OD2 3.13Å; S145-D180 VanDerWaalsContact OG-CG 3.28Å; S145-D180 PolarHBondContact OG-OD1 3.12Å; S145-D180 PolarHBondContact OG-OD2 3.02Å; D178-D180 PolarHBondContact O-N 3.08Å; D178-D180 WeakPolarHBondContact OD1-CB 3.24Å; D178-D180 PolarHBondContact OD1-N 3.18Å |
| 181 | E | 92.9 | Very high | 83 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -67.3 | 144 | 179.8 | -68.8 | -69.5 | 174.6 | 0 | 0 | 113.5 | K97 G158 L161 D178 W183 N193 | K97-E181 WeakPolarHBondContact CD-O 3.39Å; K97-E181 WeakPolarHBondContact CE-O 3.3Å; K97-E181 PolarHBondContact NZ-O 2.95Å; G158-E181 VanDerWaalsContact C-OE1 3.28Å; G158-E181 WeakPolarHBondContact CA-OE1 3.48Å; G158-E181 VanDerWaalsContact N-CD 3.26Å; G158-E181 PolarHBondContact N-OE1 2.93Å; G158-E181 PolarHBondContact N-OE2 3.48Å; L161-E181 HydrophobicContact CD2-CG 3.87Å; L161-E181 VanDerWaalsContact CD2-OE1 3.29Å; L161-E181 WeakPolarHBondContact CD2-OE1 3.4Å; L161-E181 WeakPolarHBondContact CD2-OE2 3.41Å; D178-E181 HydrophobicContact CB-CG 3.85Å; D178-E181 PolarHBondContact O-N 3.26Å; E181-W183 HydrophobicContact CB-CD2 4.4Å; E181-W183 HydrophobicContact CB-CZ2 3.99Å; E181-W183 HydrophobicContact CG-CZ2 4.39Å; E181-W183 PolarHBondContact O-N 3.28Å; E181-N193 PolarHBondContact OE2-ND2 3.02Å |
| 182 | P | 91.3 | Very high | 83.5 | Confident | 43 Ų | 43 | 36.9 Ų | 36.9 | 28% | 0.279 | 22% | 0.222 | S | C | . | . | trans | -74.7 | 73.3 | 178.4 | 32.1 | -35.2 | 0 | 0 | 0 | 110.6 | T184 G192 N193 | P182-T184 PolarHBondContact O-N 2.67Å; P182-G192 CarbonylContact O-C 2.81Å; P182-G192 VanDerWaalsContact O-CA 3.31Å; P182-G192 WeakPolarHBondContact O-CA 3.35Å; P182-N193 PolarHBondContact O-N 2.79Å | ||
| 183 | W | 93.5 | Very high | 84 | Confident | 6 Ų | 6 | 37.1 Ų | 37.1 | 2% | 0.023 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 130.5 | 178.9 | -65.2 | 108.1 | 0 | 0 | 0 | 111.9 | T95 K97 V98 L161 F177 D178 E181 N193 L195 V198 | T95-W183 HydrophobicContact CG2-CB 4.32Å; T95-W183 HydrophobicContact CG2-CG 4.3Å; K97-W183 HydrophobicContact CB-CB 4.26Å; K97-W183 HydrophobicContact CD-CB 4.47Å; V98-W183 HydrophobicContact CG1-CB 4.26Å; V98-W183 WeakPolarHBondContact CG1-O 3.41Å; L161-W183 HydrophobicContact CB-CH2 4.41Å; L161-W183 WeakPolarHBondContact O-CZ2 3.22Å; F177-W183 HydrophobicContact CB-CH2 4.5Å; F177-W183 HydrophobicContact CB-CZ2 3.88Å; F177-W183 AromaticContact CD1-CH2 3.75Å; F177-W183 HydrophobicContact CD1-CH2 3.75Å; F177-W183 AromaticContact CD1-CZ2 3.99Å; F177-W183 HydrophobicContact CD1-CZ2 3.99Å; F177-W183 HydrophobicContact CD1-CZ3 4.4Å; F177-W183 HydrophobicContact CG-CZ2 4.44Å; D178-W183 PolarHBondContact O-NE1 3.09Å; E181-W183 HydrophobicContact CB-CD2 4.4Å; E181-W183 HydrophobicContact CB-CZ2 3.99Å; E181-W183 HydrophobicContact CG-CZ2 4.39Å; E181-W183 PolarHBondContact O-N 3.28Å; W183-N193 WeakPolarHBondContact CA-O 3.48Å; W183-N193 HydrophobicContact CE3-CB 4.29Å; W183-N193 HydrophobicContact CZ3-CB 4.21Å; W183-L195 HydrophobicContact CD2-CB 4.5Å; W183-L195 HydrophobicContact CD2-CD1 4.13Å; W183-L195 HydrophobicContact CE3-CB 3.8Å; W183-L195 HydrophobicContact CE3-CD1 3.77Å; W183-L195 HydrophobicContact CE3-CG 4.39Å; W183-L195 HydrophobicContact CH2-CD1 4.46Å; W183-L195 HydrophobicContact CZ3-CB 4.41Å; W183-L195 HydrophobicContact CZ3-CD1 3.94Å; W183-V198 HydrophobicContact CH2-CB 4.14Å; W183-V198 HydrophobicContact CH2-CG1 3.93Å; W183-V198 HydrophobicContact CH2-CG2 4.24Å; W183-V198 HydrophobicContact CZ3-CB 3.85Å; W183-V198 HydrophobicContact CZ3-CG1 4.18Å; W183-V198 HydrophobicContact CZ3-CG2 3.81Å |
| 184 | T | 92.4 | Very high | 84.3 | Confident | 31 Ų | 31 | 37.2 Ų | 37.2 | 19% | 0.19 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 173.3 | 175.1 | 64 | 0 | 0 | 0 | 0 | 110.8 | P182 D191 N193 D194 L195 | P182-T184 PolarHBondContact O-N 2.67Å; T184-D191 WeakPolarHBondContact CG2-O 3.4Å; T184-N193 PolarHBondContact N-O 3.36Å; T184-D194 WeakPolarHBondContact O-CA 3.34Å; T184-L195 PolarHBondContact O-N 2.97Å |
| 185 | L | 88.4 | Confident | 84.6 | Confident | 63 Ų | 63 | 36.8 Ų | 36.8 | 33% | 0.33 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -138 | 127.6 | 173.2 | -71.4 | 171.4 | 0 | 0 | 0 | 109.7 | V98 D102 A106 N187 L195 F196 | V98-L185 HydrophobicContact CB-CD1 4.01Å; V98-L185 HydrophobicContact CB-CG 4.32Å; V98-L185 HydrophobicContact CG1-CD1 4.3Å; V98-L185 HydrophobicContact CG1-CG 4.06Å; V98-L185 HydrophobicContact CG2-CD1 4.28Å; D102-L185 HydrophobicContact CB-CD1 3.53Å; A106-L185 HydrophobicContact CB-CD1 4.5Å; A106-L185 HydrophobicContact CB-CD2 3.65Å; L185-N187 PolarHBondContact O-N 3.19Å; L185-N187 VanDerWaalsContact O-N 3.09Å; L185-L195 HydrophobicContact CD2-CB 3.98Å; L185-F196 HydrophobicContact CD2-CB 4.3Å |
| 186 | G | 71.6 | Confident | 84.7 | Confident | 34 Ų | 34 | 37.5 Ų | 37.5 | 35% | 0.351 | 22% | 0.223 | S | C | . | . | S | Bend | trans | 61.2 | 20.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114 | A188 D194 | G186-A188 PolarHBondContact O-N 2.85Å; G186-A188 VanDerWaalsContact O-N 3.13Å; G186-D194 PolarHBondContact N-OD2 3.37Å |
| 187 | N | 68.3 | Low | 84.7 | Confident | 41 Ų | 41 | 37.4 Ų | 37.4 | 22% | 0.219 | 22% | 0.223 | C | C | . | . | trans | -75.1 | 104.4 | -177.4 | -171.1 | 4.6 | 0 | 0 | 0 | 110.4 | L185 N189 H190 D191 | L185-N187 PolarHBondContact O-N 3.19Å; L185-N187 VanDerWaalsContact O-N 3.09Å; N187-N189 PolarHBondContact O-N 2.85Å; N187-N189 WeakPolarHBondContact OD1-CB 3.2Å; N187-N189 PolarHBondContact OD1-N 3.24Å; N187-N189 VanDerWaalsContact OD1-N 3.08Å; N187-H190 PolarHBondContact O-N 2.96Å; N187-D191 PolarHBondContact ND2-O 2.79Å | ||
| 188 | A | 58.4 | Low | 84.7 | Confident | 69 Ų | 69 | 37.6 Ų | 37.6 | 57% | 0.57 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G186 H190 | G186-A188 PolarHBondContact O-N 2.85Å; G186-A188 VanDerWaalsContact O-N 3.13Å; A188-H190 PolarHBondContact O-N 3.29Å |
| 189 | N | 60.8 | Low | 84.8 | Confident | 120 Ų | 120 | 37.7 Ų | 37.7 | 64% | 0.642 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.7 | -4.4 | 178.7 | -64.1 | -24.2 | 0 | 0 | 0 | 112.9 | N187 D191 | N187-N189 PolarHBondContact O-N 2.85Å; N187-N189 WeakPolarHBondContact OD1-CB 3.2Å; N187-N189 PolarHBondContact OD1-N 3.24Å; N187-N189 VanDerWaalsContact OD1-N 3.08Å; N189-D191 PolarHBondContact O-N 2.96Å |
| 190 | H | 66.3 | Low | 85 | Confident | 113 Ų | 113 | 36 Ų | 36 | 52% | 0.523 | 21% | 0.213 | S | C | . | . | trans | 57.9 | 15.2 | -178.5 | -47.3 | -60.6 | 0 | 0 | 0 | 115 | N187 A188 G192 Y225 | N187-H190 PolarHBondContact O-N 2.96Å; A188-H190 PolarHBondContact O-N 3.29Å; H190-G192 PolarHBondContact O-N 2.7Å; H190-Y225 AromaticContact CE1-CD1 3.23Å; H190-Y225 WeakPolarHBondContact CE1-CD1 3.3Å; H190-Y225 AromaticContact CE1-CE1 3.61Å; H190-Y225 AromaticContact CE1-CG 3.54Å; H190-Y225 AromaticContact ND1-CD1 3.51Å; H190-Y225 AromaticContact ND1-CD2 3.64Å; H190-Y225 AromaticContact ND1-CG 3.27Å; H190-Y225 VanDerWaalsContact ND1-CG 3.27Å | ||
| 191 | D | 69.6 | Low | 85.3 | Confident | 119 Ų | 119 | 33.8 Ų | 33.8 | 64% | 0.636 | 20% | 0.2 | S | C | * | . | trans | -81.8 | 94.2 | 173.7 | -68.6 | -32.4 | 0 | 0 | 0 | 108.7 | T184 N187 N189 | T184-D191 WeakPolarHBondContact CG2-O 3.4Å; N187-D191 PolarHBondContact ND2-O 2.79Å; N189-D191 PolarHBondContact O-N 2.96Å | ||
| 192 | G | 83.2 | Confident | 85.5 | Confident | 18 Ų | 18 | 33.8 Ų | 33.8 | 19% | 0.186 | 20% | 0.201 | C | C | . | . | S | Bend | trans | 111.2 | 179.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | P182 H190 | P182-G192 CarbonylContact O-C 2.81Å; P182-G192 VanDerWaalsContact O-CA 3.31Å; P182-G192 WeakPolarHBondContact O-CA 3.35Å; H190-G192 PolarHBondContact O-N 2.7Å |
| 193 | N | 90.1 | Very high | 85.8 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.064 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 123 | -175.9 | -57.6 | -60.2 | 0 | 0 | 0 | 110.1 | L161 E181 P182 W183 T184 L195 | L161-N193 HydrophobicContact CD1-CB 4.26Å; L161-N193 HydrophobicContact CD2-CB 4.39Å; L161-N193 VanDerWaalsContact CD2-ND2 3.27Å; L161-N193 WeakPolarHBondContact CD2-ND2 3.42Å; E181-N193 PolarHBondContact OE2-ND2 3.02Å; P182-N193 PolarHBondContact O-N 2.79Å; W183-N193 WeakPolarHBondContact CA-O 3.48Å; W183-N193 HydrophobicContact CE3-CB 4.29Å; W183-N193 HydrophobicContact CZ3-CB 4.21Å; T184-N193 PolarHBondContact N-O 3.36Å; N193-L195 PolarHBondContact O-N 2.71Å |
| 194 | D | 92.9 | Very high | 85.8 | Confident | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 115.7 | 178 | -171.8 | -72.3 | 0 | 0 | 0 | 110.7 | T184 G186 F196 L197 V198 Y223 | T184-D194 WeakPolarHBondContact O-CA 3.34Å; G186-D194 PolarHBondContact N-OD2 3.37Å; D194-F196 VanDerWaalsContact C-N 3.3Å; D194-F196 PolarHBondContact O-N 3.23Å; D194-F196 WeakPolarHBondContact OD1-CA 3.28Å; D194-F196 WeakPolarHBondContact OD1-CB 3.5Å; D194-F196 PolarHBondContact OD1-N 2.84Å; D194-L197 HydrophobicContact CB-CB 4.31Å; D194-L197 HydrophobicContact CB-CD1 3.99Å; D194-L197 HydrophobicContact CB-CG 4.1Å; D194-L197 PolarHBondContact O-N 2.72Å; D194-L197 PolarHBondContact OD1-N 3.04Å; D194-L197 VanDerWaalsContact OD1-N 3.11Å; D194-V198 PolarHBondContact O-N 3.28Å; D194-Y223 VanDerWaalsContact CB-OH 3.3Å; D194-Y223 WeakPolarHBondContact CB-OH 3.4Å; D194-Y223 PolarHBondContact N-OH 3.18Å |
| 195 | L | 95.3 | Very high | 85.9 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -62.8 | -35.2 | -175.7 | 175.3 | 62.9 | 0 | 0 | 0 | 112.5 | T95 V98 T103 A106 F143 F177 W183 T184 L185 N193 A199 | T95-L195 HydrophobicContact CG2-CD2 4.07Å; V98-L195 HydrophobicContact CG2-CD2 3.94Å; T103-L195 HydrophobicContact CG2-CD2 4.1Å; A106-L195 HydrophobicContact CB-CD2 4.27Å; A106-L195 HydrophobicContact CB-CG 4.34Å; F143-L195 HydrophobicContact CE1-CD1 3.76Å; F143-L195 HydrophobicContact CE1-CD2 4.4Å; F143-L195 HydrophobicContact CZ-CD1 3.84Å; F143-L195 HydrophobicContact CZ-CD2 4.05Å; F177-L195 HydrophobicContact CD1-CD1 3.78Å; F177-L195 HydrophobicContact CE1-CD1 3.82Å; F177-L195 HydrophobicContact CG-CD1 4.4Å; F177-L195 HydrophobicContact CZ-CD1 4.48Å; W183-L195 HydrophobicContact CD2-CB 4.5Å; W183-L195 HydrophobicContact CD2-CD1 4.13Å; W183-L195 HydrophobicContact CE3-CB 3.8Å; W183-L195 HydrophobicContact CE3-CD1 3.77Å; W183-L195 HydrophobicContact CE3-CG 4.39Å; W183-L195 HydrophobicContact CH2-CD1 4.46Å; W183-L195 HydrophobicContact CZ3-CB 4.41Å; W183-L195 HydrophobicContact CZ3-CD1 3.94Å; T184-L195 PolarHBondContact O-N 2.97Å; L185-L195 HydrophobicContact CD2-CB 3.98Å; N193-L195 PolarHBondContact O-N 2.71Å; L195-A199 WeakPolarHBondContact O-CB 3.47Å; L195-A199 PolarHBondContact O-N 3.02Å |
| 196 | F | 95.8 | Very high | 86.2 | Confident | 14 Ų | 14 | 27.1 Ų | 27.1 | 6% | 0.061 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.2 | -44.9 | 179.5 | 160.6 | -98.5 | 0 | 0 | 0 | 110.7 | A106 Q109 A110 V113 L185 D194 A199 V200 T228 F231 | A106-F196 HydrophobicContact CB-CB 4.16Å; Q109-F196 HydrophobicContact CB-CD2 3.8Å; Q109-F196 HydrophobicContact CB-CE2 3.74Å; A110-F196 HydrophobicContact CB-CD2 4.32Å; A110-F196 HydrophobicContact CB-CE2 4.49Å; V113-F196 HydrophobicContact CG2-CE2 3.96Å; V113-F196 HydrophobicContact CG2-CZ 3.83Å; L185-F196 HydrophobicContact CD2-CB 4.3Å; D194-F196 VanDerWaalsContact C-N 3.3Å; D194-F196 PolarHBondContact O-N 3.23Å; D194-F196 WeakPolarHBondContact OD1-CA 3.28Å; D194-F196 WeakPolarHBondContact OD1-CB 3.5Å; D194-F196 PolarHBondContact OD1-N 2.84Å; F196-A199 PolarHBondContact O-N 3.01Å; F196-V200 HydrophobicContact CD2-CG2 4.19Å; F196-V200 HydrophobicContact CE1-CG2 4.33Å; F196-V200 HydrophobicContact CE2-CG2 3.75Å; F196-V200 HydrophobicContact CZ-CG2 3.84Å; F196-V200 WeakPolarHBondContact O-CG2 3.46Å; F196-V200 PolarHBondContact O-N 2.95Å; F196-T228 HydrophobicContact CD1-CG2 3.79Å; F196-T228 HydrophobicContact CE1-CG2 4.29Å; F196-F231 HydrophobicContact CE1-CB 3.75Å; F196-F231 HydrophobicContact CE1-CD1 4.09Å; F196-F231 HydrophobicContact CE1-CD2 4.05Å; F196-F231 AromaticContact CE1-CG 3.68Å; F196-F231 HydrophobicContact CE1-CG 3.68Å; F196-F231 HydrophobicContact CZ-CB 3.94Å; F196-F231 AromaticContact CZ-CD1 3.87Å; F196-F231 HydrophobicContact CZ-CD1 3.87Å; F196-F231 AromaticContact CZ-CG 3.89Å; F196-F231 HydrophobicContact CZ-CG 3.89Å |
| 197 | L | 93.8 | Very high | 87.3 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 179 | -65.3 | 179.8 | 0 | 0 | 0 | 112.3 | D194 A199 V200 H201 Y223 Y225 M226 T228 F231 | D194-L197 HydrophobicContact CB-CB 4.31Å; D194-L197 HydrophobicContact CB-CD1 3.99Å; D194-L197 HydrophobicContact CB-CG 4.1Å; D194-L197 PolarHBondContact O-N 2.72Å; D194-L197 PolarHBondContact OD1-N 3.04Å; D194-L197 VanDerWaalsContact OD1-N 3.11Å; L197-A199 VanDerWaalsContact C-N 3.35Å; L197-V200 PolarHBondContact O-N 2.94Å; L197-H201 PolarHBondContact O-N 3.29Å; L197-H201 VanDerWaalsContact O-N 3.13Å; L197-Y223 HydrophobicContact CB-CE2 4.29Å; L197-Y223 HydrophobicContact CD1-CE2 4.47Å; L197-Y225 HydrophobicContact CD1-CD2 4.2Å; L197-M226 HydrophobicContact CD1-CB 4.25Å; L197-M226 VanDerWaalsContact CD1-N 3.28Å; L197-M226 HydrophobicContact CD2-CB 3.97Å; L197-T228 HydrophobicContact CD1-CG2 4.2Å; L197-T228 HydrophobicContact CD2-CG2 3.94Å; L197-T228 HydrophobicContact CG-CG2 3.88Å; L197-F231 HydrophobicContact CD2-CD2 3.72Å; L197-F231 HydrophobicContact CD2-CE2 3.61Å |
| 198 | V | 96.1 | Very high | 88.3 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 4% | 0.036 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -64.7 | -42.5 | 177 | -179 | 0 | 0 | 0 | 0 | 110.2 | L161 A162 F177 W183 D194 V200 H201 E202 Y223 | L161-V198 HydrophobicContact CB-CG1 4.33Å; L161-V198 HydrophobicContact CD1-CG2 3.77Å; A162-V198 HydrophobicContact CB-CG1 3.6Å; F177-V198 HydrophobicContact CD1-CG1 4.26Å; F177-V198 HydrophobicContact CE1-CB 4.46Å; F177-V198 HydrophobicContact CE1-CG1 4.03Å; W183-V198 HydrophobicContact CH2-CB 4.14Å; W183-V198 HydrophobicContact CH2-CG1 3.93Å; W183-V198 HydrophobicContact CH2-CG2 4.24Å; W183-V198 HydrophobicContact CZ3-CB 3.85Å; W183-V198 HydrophobicContact CZ3-CG1 4.18Å; W183-V198 HydrophobicContact CZ3-CG2 3.81Å; D194-V198 PolarHBondContact O-N 3.28Å; V198-V200 VanDerWaalsContact C-N 3.33Å; V198-V200 PolarHBondContact O-N 3.28Å; V198-H201 WeakPolarHBondContact O-CB 3.42Å; V198-H201 PolarHBondContact O-N 3.13Å; V198-H201 VanDerWaalsContact O-N 3.13Å; V198-E202 HydrophobicContact CG1-CG 4.03Å; V198-E202 WeakPolarHBondContact O-CG 3.11Å; V198-E202 PolarHBondContact O-N 3.34Å; V198-Y223 HydrophobicContact CG2-CD2 3.82Å; V198-Y223 HydrophobicContact CG2-CE2 3.9Å |
| 199 | A | 97.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 20.5 Ų | 20.5 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.9 | -39.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | A110 F177 L195 F196 L197 H201 L203 | A110-A199 HydrophobicContact CB-CB 3.74Å; F177-A199 HydrophobicContact CE1-CB 4.03Å; F177-A199 HydrophobicContact CZ-CB 3.74Å; L195-A199 WeakPolarHBondContact O-CB 3.47Å; L195-A199 PolarHBondContact O-N 3.02Å; F196-A199 PolarHBondContact O-N 3.01Å; L197-A199 VanDerWaalsContact C-N 3.35Å; A199-H201 VanDerWaalsContact C-N 3.33Å; A199-H201 PolarHBondContact O-N 2.9Å; A199-L203 VanDerWaalsContact O-CB 3.26Å; A199-L203 WeakPolarHBondContact O-CB 3.48Å; A199-L203 WeakPolarHBondContact O-CG 3.08Å; A199-L203 PolarHBondContact O-N 3.34Å |
| 200 | V | 97.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -60.4 | -45.5 | 174.5 | 174.3 | 0 | 0 | 0 | 0 | 110.6 | A110 V113 W114 F196 L197 V198 G204 I218 F231 L233 | A110-V200 HydrophobicContact CB-CG2 3.7Å; V113-V200 HydrophobicContact CB-CG2 4.4Å; V113-V200 HydrophobicContact CG1-CG1 4.09Å; V113-V200 HydrophobicContact CG1-CG2 4.47Å; V113-V200 HydrophobicContact CG2-CG2 4.23Å; W114-V200 HydrophobicContact CZ2-CG1 4.06Å; W114-V200 VanDerWaalsContact CZ2-O 3.32Å; W114-V200 WeakPolarHBondContact CZ2-O 3.04Å; W114-V200 PolarHBondContact NE1-O 2.66Å; F196-V200 HydrophobicContact CD2-CG2 4.19Å; F196-V200 HydrophobicContact CE1-CG2 4.33Å; F196-V200 HydrophobicContact CE2-CG2 3.75Å; F196-V200 HydrophobicContact CZ-CG2 3.84Å; F196-V200 WeakPolarHBondContact O-CG2 3.46Å; F196-V200 PolarHBondContact O-N 2.95Å; L197-V200 PolarHBondContact O-N 2.94Å; V198-V200 VanDerWaalsContact C-N 3.33Å; V198-V200 PolarHBondContact O-N 3.28Å; V200-G204 PolarHBondContact O-N 3.39Å; V200-G204 VanDerWaalsContact O-N 3.14Å; V200-I218 HydrophobicContact CB-CG1 4.3Å; V200-I218 HydrophobicContact CG1-CG1 3.88Å; V200-I218 HydrophobicContact CG1-CG2 4.16Å; V200-F231 HydrophobicContact CG1-CE1 4Å; V200-F231 HydrophobicContact CG1-CZ 4.11Å; V200-F231 HydrophobicContact CG2-CE1 4.42Å; V200-L233 HydrophobicContact CG1-CD2 4.15Å |
| 201 | H | 96.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 11.3 Ų | 11.3 | 6% | 0.06 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -59.3 | -55.5 | 177.3 | -178.7 | 106.4 | 0 | 0 | 0 | 111.8 | C58 L197 V198 A199 L203 G204 H205 H211 I218 M219 A220 | C58-H201 VanDerWaalsContact CB-NE2 3.26Å; C58-H201 WeakPolarHBondContact CB-NE2 3.27Å; L197-H201 PolarHBondContact O-N 3.29Å; L197-H201 VanDerWaalsContact O-N 3.13Å; V198-H201 WeakPolarHBondContact O-CB 3.42Å; V198-H201 PolarHBondContact O-N 3.13Å; V198-H201 VanDerWaalsContact O-N 3.13Å; A199-H201 VanDerWaalsContact C-N 3.33Å; A199-H201 PolarHBondContact O-N 2.9Å; H201-L203 VanDerWaalsContact C-N 3.32Å; H201-L203 PolarHBondContact O-N 3.18Å; H201-G204 WeakPolarHBondContact O-CA 3.2Å; H201-G204 PolarHBondContact O-N 3.1Å; H201-H205 AromaticContact CD2-CD2 3.85Å; H201-H205 AromaticContact CD2-NE2 3.79Å; H201-H205 AromaticContact NE2-CD2 3.78Å; H201-H205 AromaticContact NE2-NE2 3.21Å; H201-H205 PolarHBondContact NE2-NE2 3.43Å; H201-H205 PolarHBondContact O-N 3.29Å; H201-H211 AromaticContact CE1-CD2 3.69Å; H201-H211 AromaticContact CE1-NE2 3.75Å; H201-H211 AromaticContact NE2-CD2 3.57Å; H201-H211 AromaticContact NE2-NE2 3.32Å; H201-H211 PolarHBondContact NE2-NE2 2.84Å; H201-I218 HydrophobicContact CB-CG1 4.36Å; H201-I218 PolarHBondContact ND1-O 3.2Å; H201-M219 WeakPolarHBondContact O-CE 3.28Å; H201-A220 PolarHBondContact CE1-O 2.88Å; H201-A220 PolarHBondContact ND1-O 3.13Å |
| 202 | E | 96.5 | Very high | 92.9 | Very high | 2 Ų | 2 | 5.8 Ų | 5.8 | 1% | 0.009 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -65.1 | -37.1 | -175.8 | -59 | -50.6 | 145.5 | 0 | 0 | 112.2 | C58 A162 H163 A164 T175 V198 G204 H205 A206 | C58-E202 PolarHBondContact SG-OE1 3.25Å; C58-E202 PolarHBondContact SG-OE2 3.13Å; C58-E202 VanDerWaalsContact SG-OE2 3.35Å; A162-E202 HydrophobicContact CB-CG 3.55Å; H163-E202 WeakPolarHBondContact CA-OE2 3.31Å; A164-E202 HydrophobicContact CB-CB 4.03Å; A164-E202 WeakPolarHBondContact CB-O 3.28Å; A164-E202 PolarHBondContact N-OE2 2.96Å; A164-E202 VanDerWaalsContact N-OE2 3.08Å; T175-E202 HydrophobicContact CG2-CB 3.52Å; T175-E202 HydrophobicContact CG2-CG 4.26Å; V198-E202 HydrophobicContact CG1-CG 4.03Å; V198-E202 WeakPolarHBondContact O-CG 3.11Å; V198-E202 PolarHBondContact O-N 3.34Å; E202-G204 PolarHBondContact O-N 2.95Å; E202-H205 WeakPolarHBondContact O-CA 3.25Å; E202-H205 WeakPolarHBondContact O-CB 3.19Å; E202-H205 PolarHBondContact O-N 3.47Å; E202-H205 IonicContact OE2-CD2 2.87Å; E202-A206 PolarHBondContact O-N 3.1Å |
| 203 | L | 97.3 | Very high | 92.6 | Very high | 2 Ų | 2 | 10.1 Ų | 10.1 | 1% | 0.01 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64.5 | -27.5 | 173.1 | -69.4 | 178.4 | 0 | 0 | 0 | 112.1 | A110 F111 I139 I141 A199 H201 H205 A206 L207 | A110-L203 HydrophobicContact CB-CD1 3.75Å; F111-L203 HydrophobicContact CD1-CD1 3.87Å; F111-L203 HydrophobicContact CD1-CD2 4.41Å; F111-L203 HydrophobicContact CD2-CD1 3.89Å; F111-L203 HydrophobicContact CE1-CD1 3.94Å; F111-L203 HydrophobicContact CE1-CD2 3.65Å; F111-L203 HydrophobicContact CE1-CG 4.4Å; F111-L203 HydrophobicContact CE2-CD1 3.94Å; F111-L203 HydrophobicContact CE2-CD2 4.1Å; F111-L203 HydrophobicContact CG-CD1 3.86Å; F111-L203 HydrophobicContact CZ-CD1 3.98Å; F111-L203 HydrophobicContact CZ-CD2 3.47Å; F111-L203 VanDerWaalsContact CZ-CD2 3.47Å; F111-L203 HydrophobicContact CZ-CG 4.39Å; I139-L203 HydrophobicContact CG2-CD2 4.48Å; I141-L203 HydrophobicContact CD1-CD2 4.42Å; A199-L203 VanDerWaalsContact O-CB 3.26Å; A199-L203 WeakPolarHBondContact O-CB 3.48Å; A199-L203 WeakPolarHBondContact O-CG 3.08Å; A199-L203 PolarHBondContact O-N 3.34Å; H201-L203 VanDerWaalsContact C-N 3.32Å; H201-L203 PolarHBondContact O-N 3.18Å; L203-H205 VanDerWaalsContact C-N 3.31Å; L203-H205 PolarHBondContact O-N 2.9Å; L203-A206 HydrophobicContact CD2-CB 4.38Å; L203-A206 PolarHBondContact O-N 3.25Å; L203-L207 WeakPolarHBondContact O-CB 3.24Å; L203-L207 WeakPolarHBondContact O-CG 3.43Å; L203-L207 PolarHBondContact O-N 3.32Å |
| 204 | G | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -60.3 | -41.6 | 170 | 0 | 0 | 0 | 0 | 0 | 112.2 | V200 H201 E202 L207 G208 L209 | V200-G204 PolarHBondContact O-N 3.39Å; V200-G204 VanDerWaalsContact O-N 3.14Å; H201-G204 WeakPolarHBondContact O-CA 3.2Å; H201-G204 PolarHBondContact O-N 3.1Å; E202-G204 PolarHBondContact O-N 2.95Å; G204-L207 CarbonylContact O-C 3.57Å; G204-L207 PolarHBondContact O-N 2.96Å; G204-G208 PolarHBondContact O-N 2.83Å; G204-G208 VanDerWaalsContact O-N 3.12Å; G204-L209 WeakPolarHBondContact O-CB 3.17Å; G204-L209 PolarHBondContact O-N 2.93Å |
| 205 | H | 93.2 | Very high | 91.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.2 | -46 | 171.1 | -69.7 | -44.5 | 0 | 0 | 0 | 112.1 | A164 F166 H201 E202 L203 L207 G208 L209 H211 M219 | A164-H205 HydrophobicContact CB-CB 3.96Å; F166-H205 HydrophobicContact CD1-CB 4.43Å; F166-H205 VanDerWaalsContact CD1-O 3.32Å; F166-H205 WeakPolarHBondContact CD1-O 3.32Å; F166-H205 HydrophobicContact CE1-CB 4.15Å; F166-H205 AromaticContact CE1-ND1 3.71Å; H201-H205 AromaticContact CD2-CD2 3.85Å; H201-H205 AromaticContact CD2-NE2 3.79Å; H201-H205 AromaticContact NE2-CD2 3.78Å; H201-H205 AromaticContact NE2-NE2 3.21Å; H201-H205 PolarHBondContact NE2-NE2 3.43Å; H201-H205 PolarHBondContact O-N 3.29Å; E202-H205 WeakPolarHBondContact O-CA 3.25Å; E202-H205 WeakPolarHBondContact O-CB 3.19Å; E202-H205 PolarHBondContact O-N 3.47Å; E202-H205 IonicContact OE2-CD2 2.87Å; L203-H205 VanDerWaalsContact C-N 3.31Å; L203-H205 PolarHBondContact O-N 2.9Å; H205-L207 PolarHBondContact O-N 3.01Å; H205-G208 WeakPolarHBondContact O-CA 3.36Å; H205-G208 PolarHBondContact O-N 3.24Å; H205-L209 PolarHBondContact ND1-O 2.81Å; H205-H211 AromaticContact CE1-CD2 3.38Å; H205-H211 PolarHBondContact CE1-CD2 3.37Å; H205-H211 AromaticContact CE1-NE2 3.77Å; H205-H211 AromaticContact NE2-CD2 3.3Å; H205-H211 PolarHBondContact NE2-CD2 2.8Å; H205-H211 VanDerWaalsContact NE2-CD2 3.3Å; H205-H211 AromaticContact NE2-NE2 3.25Å; H205-H211 PolarHBondContact NE2-NE2 3.01Å; H205-M219 WeakPolarHBondContact CE1-CE 3.46Å; H205-M219 VanDerWaalsContact ND1-CE 3.35Å; H205-M219 WeakPolarHBondContact ND1-CE 3.29Å |
| 206 | A | 94.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -58 | -20.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113 | W82 I139 A164 Y165 P167 G173 E202 L203 | W82-A206 PolarHBondContact NE1-O 3.08Å; I139-A206 HydrophobicContact CD1-CB 4.19Å; A164-A206 HydrophobicContact CB-CB 4.33Å; Y165-A206 WeakPolarHBondContact O-CA 3.12Å; P167-A206 VanDerWaalsContact CG-O 3.31Å; P167-A206 WeakPolarHBondContact CG-O 3.47Å; G173-A206 VanDerWaalsContact O-CB 3.31Å; G173-A206 WeakPolarHBondContact O-CB 3.48Å; E202-A206 PolarHBondContact O-N 3.1Å; L203-A206 HydrophobicContact CD2-CB 4.38Å; L203-A206 PolarHBondContact O-N 3.25Å |
| 207 | L | 95 | Very high | 90 | Very high | 1 Ų | 1 | 18.3 Ų | 18.3 | 1% | 0.005 | 11% | 0.106 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -5.8 | 174.8 | -65.4 | 175.7 | 0 | 0 | 0 | 114.1 | I87 W114 L120 F122 L203 G204 H205 I241 Y245 | I87-L207 HydrophobicContact CD1-CD2 4.05Å; W114-L207 HydrophobicContact CB-CD1 3.62Å; W114-L207 HydrophobicContact CD2-CD1 3.95Å; W114-L207 HydrophobicContact CE3-CD1 4.47Å; W114-L207 HydrophobicContact CG-CD1 3.56Å; L120-L207 HydrophobicContact CD1-CD2 3.7Å; F122-L207 HydrophobicContact CE1-CD2 3.9Å; F122-L207 HydrophobicContact CZ-CD1 4.07Å; F122-L207 HydrophobicContact CZ-CD2 3.82Å; L203-L207 WeakPolarHBondContact O-CB 3.24Å; L203-L207 WeakPolarHBondContact O-CG 3.43Å; L203-L207 PolarHBondContact O-N 3.32Å; G204-L207 CarbonylContact O-C 3.57Å; G204-L207 PolarHBondContact O-N 2.96Å; H205-L207 PolarHBondContact O-N 3.01Å; L207-I241 HydrophobicContact CB-CD1 3.77Å; L207-I241 HydrophobicContact CD1-CD1 4.14Å; L207-Y245 HydrophobicContact CB-CE2 4.15Å; L207-Y245 WeakPolarHBondContact O-CE2 3.31Å; L207-Y245 PolarHBondContact O-OH 3.38Å |
| 208 | G | 89.4 | Confident | 89.8 | Confident | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 105.5 | 8.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | T78 G204 H205 | T78-G208 PolarHBondContact N-O 2.91Å; T78-G208 PolarHBondContact OG1-O 3.23Å; G204-G208 PolarHBondContact O-N 2.83Å; G204-G208 VanDerWaalsContact O-N 3.12Å; H205-G208 WeakPolarHBondContact O-CA 3.36Å; H205-G208 PolarHBondContact O-N 3.24Å |
| 209 | L | 91.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 18.5 Ų | 18.5 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | B | Isolated β-bridge | trans | -75.2 | 140.3 | 171.2 | -60.9 | 174.6 | 0 | 0 | 0 | 110.6 | L77 W114 F166 G204 H205 M219 I241 I244 | L77-L209 HydrophobicContact CD2-CD2 3.91Å; W114-L209 HydrophobicContact CH2-CD1 3.37Å; W114-L209 HydrophobicContact CZ2-CD1 4.18Å; W114-L209 HydrophobicContact CZ3-CD1 3.69Å; F166-L209 WeakPolarHBondContact CE1-O 3.13Å; G204-L209 WeakPolarHBondContact O-CB 3.17Å; G204-L209 PolarHBondContact O-N 2.93Å; H205-L209 PolarHBondContact ND1-O 2.81Å; L209-M219 HydrophobicContact CB-CE 4.02Å; L209-M219 HydrophobicContact CB-CG 4.17Å; L209-M219 HydrophobicContact CB-SD 4.32Å; L209-M219 HydrophobicContact CD1-CG 3.88Å; L209-M219 HydrophobicContact CD1-SD 4.17Å; L209-I241 HydrophobicContact CD1-CB 4.24Å; L209-I241 HydrophobicContact CD1-CD1 4.16Å; L209-I241 HydrophobicContact CD2-CB 4.37Å; L209-I241 HydrophobicContact CD2-CD1 4.38Å; L209-I241 HydrophobicContact CG-CD1 4.11Å; L209-I244 HydrophobicContact CD2-CD1 3.88Å; L209-I244 HydrophobicContact CG-CD1 4.44Å |
| 210 | E | 88.4 | Confident | 89.2 | Confident | 33 Ų | 33 | 18.8 Ų | 18.8 | 15% | 0.154 | 11% | 0.109 | C | C | . | . | trans | -92.8 | 175.9 | 168.2 | -69.3 | 171.5 | 160.2 | 0 | 0 | 109.9 | A76 L77 T78 F166 S212 | A76-E210 HydrophobicContact CB-CB 3.53Å; A76-E210 WeakPolarHBondContact CB-O 3.45Å; A76-E210 PolarHBondContact O-N 3.45Å; L77-E210 VanDerWaalsContact C-CD 3.43Å; L77-E210 PolarHBondContact N-OE2 2.57Å; L77-E210 VanDerWaalsContact N-OE2 3.16Å; T78-E210 WeakPolarHBondContact CA-OE1 3.38Å; T78-E210 HydrophobicContact CG2-CG 3.36Å; F166-E210 HydrophobicContact CZ-CG 4.49Å; E210-S212 PolarHBondContact O-N 2.95Å | ||
| 211 | H | 88.1 | Confident | 88.7 | Confident | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.032 | 11% | 0.111 | C | C | . | . | trans | -62.7 | 129.6 | 173.1 | -76.8 | 161.6 | 0 | 0 | 0 | 113.1 | F36 C58 V60 D62 A76 H201 H205 M219 P221 | F36-H211 HydrophobicContact CZ-CB 4.11Å; C58-H211 WeakPolarHBondContact CB-NE2 3.31Å; V60-H211 PolarHBondContact O-CE1 3.18Å; V60-H211 PolarHBondContact O-ND1 2.85Å; D62-H211 IonicContact OD1-CE1 3.81Å; D62-H211 PolarHBondContact OD1-CE1 3.19Å; D62-H211 IonicContact OD1-CG 3.16Å; D62-H211 IonicContact OD1-ND1 3.04Å; D62-H211 PolarHBondContact OD1-ND1 3.21Å; A76-H211 WeakPolarHBondContact CB-O 3.36Å; H201-H211 AromaticContact CE1-CD2 3.69Å; H201-H211 AromaticContact CE1-NE2 3.75Å; H201-H211 AromaticContact NE2-CD2 3.57Å; H201-H211 AromaticContact NE2-NE2 3.32Å; H201-H211 PolarHBondContact NE2-NE2 2.84Å; H205-H211 AromaticContact CE1-CD2 3.38Å; H205-H211 PolarHBondContact CE1-CD2 3.37Å; H205-H211 AromaticContact CE1-NE2 3.77Å; H205-H211 AromaticContact NE2-CD2 3.3Å; H205-H211 PolarHBondContact NE2-CD2 2.8Å; H205-H211 VanDerWaalsContact NE2-CD2 3.3Å; H205-H211 AromaticContact NE2-NE2 3.25Å; H205-H211 PolarHBondContact NE2-NE2 3.01Å; H211-M219 CarbonylContact C-O 3.59Å; H211-M219 WeakPolarHBondContact CA-O 3.14Å; H211-P221 HydrophobicContact CB-CG 3.71Å | ||
| 212 | S | 84.1 | Confident | 88.1 | Confident | 3 Ų | 3 | 18.8 Ų | 18.8 | 2% | 0.021 | 11% | 0.11 | C | C | . | . | trans | -79.6 | 148.5 | 172.5 | -171.2 | 0 | 0 | 0 | 0 | 111.3 | E210 D214 M219 P221 D236 | E210-S212 PolarHBondContact O-N 2.95Å; S212-D214 PolarHBondContact OG-N 3.37Å; S212-D214 VanDerWaalsContact OG-N 3.09Å; S212-M219 PolarHBondContact N-O 2.91Å; S212-P221 WeakPolarHBondContact O-CD 3.36Å; S212-D236 VanDerWaalsContact CB-OD2 3.25Å; S212-D236 WeakPolarHBondContact CB-OD2 3.34Å; S212-D236 PolarHBondContact OG-OD2 2.72Å | ||
| 213 | N | 76.4 | Confident | 87.6 | Confident | 110 Ų | 110 | 20.4 Ų | 20.4 | 59% | 0.588 | 12% | 0.116 | S | C | * | . | S | Bend | trans | -90.6 | -2.9 | 168.5 | 68.6 | -30 | 0 | 0 | 0 | 112.5 | F36 P215 | F36-N213 HydrophobicContact CD2-CB 4.37Å; F36-N213 HydrophobicContact CE2-CB 4.25Å; F36-N213 HydrophobicContact CZ-CB 4.34Å; F36-N213 WeakPolarHBondContact O-CB 3.47Å; N213-P215 WeakPolarHBondContact O-CD 3.39Å |
| 214 | D | 77.4 | Confident | 86.8 | Confident | 55 Ų | 55 | 23.2 Ų | 23.2 | 29% | 0.294 | 13% | 0.129 | S | C | . | . | trans | -78.9 | 115 | 170.5 | -174.7 | -16.6 | 0 | 0 | 0 | 109 | S212 S216 A217 | S212-D214 PolarHBondContact OG-N 3.37Å; S212-D214 VanDerWaalsContact OG-N 3.09Å; D214-S216 VanDerWaalsContact CG-OG 3.25Å; D214-S216 PolarHBondContact O-N 2.89Å; D214-S216 VanDerWaalsContact O-N 3.14Å; D214-S216 WeakPolarHBondContact OD1-CB 3.32Å; D214-S216 PolarHBondContact OD1-N 3.19Å; D214-S216 PolarHBondContact OD1-OG 2.79Å; D214-S216 PolarHBondContact OD2-OG 2.97Å; D214-A217 HydrophobicContact CB-CB 4.13Å; D214-A217 WeakPolarHBondContact O-CB 3.37Å; D214-A217 PolarHBondContact O-N 3.3Å; D214-A217 VanDerWaalsContact O-N 3.12Å | ||
| 215 | P | 75.4 | Confident | 86.2 | Confident | 73 Ų | 73 | 26.4 Ų | 26.4 | 47% | 0.474 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -16.5 | -179.6 | 28.3 | -35.6 | 0 | 0 | 0 | 113.1 | N213 Q224 | N213-P215 WeakPolarHBondContact O-CD 3.39Å; P215-Q224 VanDerWaalsContact O-CD 3.32Å; P215-Q224 PolarHBondContact O-NE2 3.44Å; P215-Q224 PolarHBondContact O-OE1 2.95Å |
| 216 | S | 78.4 | Confident | 85.8 | Confident | 70 Ų | 70 | 28.2 Ų | 28.2 | 49% | 0.49 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -8.5 | 177.3 | 71.9 | 0 | 0 | 0 | 0 | 114 | D214 P234 | D214-S216 VanDerWaalsContact CG-OG 3.25Å; D214-S216 PolarHBondContact O-N 2.89Å; D214-S216 VanDerWaalsContact O-N 3.14Å; D214-S216 WeakPolarHBondContact OD1-CB 3.32Å; D214-S216 PolarHBondContact OD1-N 3.19Å; D214-S216 PolarHBondContact OD1-OG 2.79Å; D214-S216 PolarHBondContact OD2-OG 2.97Å; S216-P234 VanDerWaalsContact O-CG 3.28Å; S216-P234 WeakPolarHBondContact O-CG 3.42Å |
| 217 | A | 88.2 | Confident | 85.2 | Confident | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.008 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -74.7 | 147.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | D214 M219 A220 D236 D237 | D214-A217 HydrophobicContact CB-CB 4.13Å; D214-A217 WeakPolarHBondContact O-CB 3.37Å; D214-A217 PolarHBondContact O-N 3.3Å; D214-A217 VanDerWaalsContact O-N 3.12Å; A217-M219 PolarHBondContact O-N 3.3Å; A217-A220 WeakPolarHBondContact O-CB 3.48Å; A217-A220 PolarHBondContact O-N 2.89Å; A217-A220 VanDerWaalsContact O-N 3.15Å; A217-D236 HydrophobicContact CB-CB 4.18Å; A217-D237 WeakPolarHBondContact CA-OD2 3.42Å |
| 218 | I | 90.8 | Very high | 84.7 | Confident | 11 Ų | 11 | 34 Ų | 34 | 6% | 0.056 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -32.2 | 172 | -169.4 | 60.1 | 0 | 0 | 0 | 110 | W114 V200 H201 A220 M226 F231 L233 D237 | W114-I218 HydrophobicContact CH2-CG2 4.45Å; W114-I218 HydrophobicContact CZ2-CG2 4.48Å; V200-I218 HydrophobicContact CB-CG1 4.3Å; V200-I218 HydrophobicContact CG1-CG1 3.88Å; V200-I218 HydrophobicContact CG1-CG2 4.16Å; H201-I218 HydrophobicContact CB-CG1 4.36Å; H201-I218 PolarHBondContact ND1-O 3.2Å; I218-A220 PolarHBondContact O-N 3.2Å; I218-M226 HydrophobicContact CB-CE 4.35Å; I218-M226 HydrophobicContact CD1-CE 4.09Å; I218-M226 HydrophobicContact CD1-SD 3.99Å; I218-F231 HydrophobicContact CB-CZ 4.3Å; I218-F231 HydrophobicContact CD1-CE2 4.37Å; I218-F231 HydrophobicContact CD1-CZ 4.28Å; I218-F231 HydrophobicContact CG1-CZ 4.13Å; I218-L233 HydrophobicContact CG2-CD2 3.76Å; I218-D237 HydrophobicContact CG2-CB 4.04Å; I218-D237 VanDerWaalsContact CG2-CG 3.47Å; I218-D237 PolarHBondContact N-OD1 3.12Å; I218-D237 PolarHBondContact N-OD2 2.77Å |
| 219 | M | 92.3 | Very high | 84.2 | Confident | 3 Ų | 3 | 40.8 Ų | 40.8 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 9.4 | 173.4 | -62.1 | -53 | -57.3 | 0 | 0 | 113.8 | W114 H201 H205 L209 H211 S212 A217 D237 | W114-M219 HydrophobicContact CZ2-SD 4.37Å; H201-M219 WeakPolarHBondContact O-CE 3.28Å; H205-M219 WeakPolarHBondContact CE1-CE 3.46Å; H205-M219 VanDerWaalsContact ND1-CE 3.35Å; H205-M219 WeakPolarHBondContact ND1-CE 3.29Å; L209-M219 HydrophobicContact CB-CE 4.02Å; L209-M219 HydrophobicContact CB-CG 4.17Å; L209-M219 HydrophobicContact CB-SD 4.32Å; L209-M219 HydrophobicContact CD1-CG 3.88Å; L209-M219 HydrophobicContact CD1-SD 4.17Å; H211-M219 CarbonylContact C-O 3.59Å; H211-M219 WeakPolarHBondContact CA-O 3.14Å; S212-M219 PolarHBondContact N-O 2.91Å; A217-M219 PolarHBondContact O-N 3.3Å; M219-D237 VanDerWaalsContact CB-OD1 3.23Å; M219-D237 WeakPolarHBondContact CB-OD1 3.38Å; M219-D237 WeakPolarHBondContact CG-OD1 3.45Å; M219-D237 PolarHBondContact N-OD1 2.72Å |
| 220 | A | 86.4 | Confident | 83.8 | Confident | 6 Ų | 6 | 47.1 Ų | 47.1 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | trans | -65.3 | 138.8 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | H201 A217 I218 F222 | H201-A220 PolarHBondContact CE1-O 2.88Å; H201-A220 PolarHBondContact ND1-O 3.13Å; A217-A220 WeakPolarHBondContact O-CB 3.48Å; A217-A220 PolarHBondContact O-N 2.89Å; A217-A220 VanDerWaalsContact O-N 3.15Å; I218-A220 PolarHBondContact O-N 3.2Å; A220-F222 PolarHBondContact O-N 3.48Å | ||
| 221 | P | 86.7 | Confident | 83.7 | Confident | 6 Ų | 6 | 47 Ų | 47 | 4% | 0.039 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -66.1 | -37.5 | -169.8 | -28.7 | 38.9 | 0 | 0 | 0 | 114.5 | F36 Y37 R57 C58 D62 H211 S212 | F36-P221 HydrophobicContact CE1-CG 3.86Å; Y37-P221 HydrophobicContact CE1-CB 4.17Å; Y37-P221 HydrophobicContact CE1-CG 3.9Å; R57-P221 CarbonylContact C-O 3.51Å; R57-P221 WeakPolarHBondContact CA-O 3.24Å; R57-P221 WeakPolarHBondContact CB-O 3.46Å; C58-P221 PolarHBondContact N-O 3.47Å; D62-P221 WeakPolarHBondContact OD1-CG 3.3Å; H211-P221 HydrophobicContact CB-CG 3.71Å; S212-P221 WeakPolarHBondContact O-CD 3.36Å |
| 222 | F | 84.9 | Confident | 83.7 | Confident | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.035 | 28% | 0.281 | C | S | . | . | B | Isolated β-bridge | trans | -81.8 | 135.6 | -178.9 | -68.9 | -72.8 | 0 | 0 | 0 | 110.7 | W3 Y37 W52 R55 R57 A220 Q224 | W3-F222 HydrophobicContact CH2-CZ 4.47Å; W3-F222 HydrophobicContact CZ2-CE1 4.45Å; W3-F222 HydrophobicContact CZ2-CZ 4.06Å; Y37-F222 HydrophobicContact CD1-CD2 4Å; Y37-F222 AromaticContact CD1-CE2 3.6Å; Y37-F222 HydrophobicContact CD1-CE2 3.6Å; Y37-F222 AromaticContact CD2-CE2 3.63Å; Y37-F222 HydrophobicContact CD2-CE2 3.63Å; Y37-F222 HydrophobicContact CD2-CZ 4.26Å; Y37-F222 HydrophobicContact CE1-CD2 4.2Å; Y37-F222 AromaticContact CE1-CE2 3.65Å; Y37-F222 HydrophobicContact CE1-CE2 3.65Å; Y37-F222 HydrophobicContact CE1-CZ 4.48Å; Y37-F222 AromaticContact CE2-CE2 3.58Å; Y37-F222 HydrophobicContact CE2-CE2 3.58Å; Y37-F222 AromaticContact CE2-CZ 3.9Å; Y37-F222 HydrophobicContact CE2-CZ 3.9Å; Y37-F222 HydrophobicContact CG-CD2 4.3Å; Y37-F222 AromaticContact CG-CE2 3.62Å; Y37-F222 HydrophobicContact CG-CE2 3.62Å; Y37-F222 AromaticContact CZ-CE2 3.65Å; W52-F222 AromaticContact CE3-CD2 3.92Å; W52-F222 HydrophobicContact CE3-CD2 3.92Å; W52-F222 AromaticContact CE3-CE2 3.94Å; W52-F222 HydrophobicContact CE3-CE2 3.94Å; W52-F222 HydrophobicContact CE3-CG 4.41Å; W52-F222 HydrophobicContact CE3-CZ 4.48Å; W52-F222 HydrophobicContact CZ3-CD2 4.03Å; W52-F222 HydrophobicContact CZ3-CE2 4.44Å; W52-F222 WeakPolarHBondContact O-CE1 3.44Å; W52-F222 WeakPolarHBondContact O-CZ 3.12Å; R55-F222 HydrophobicContact CB-CD1 3.66Å; R55-F222 HydrophobicContact CB-CE1 4.08Å; R57-F222 HydrophobicContact CB-CD1 3.75Å; R57-F222 HydrophobicContact CB-CE1 4.19Å; R57-F222 HydrophobicContact CB-CG 4.43Å; R57-F222 HydrophobicContact CG-CD1 4.44Å; R57-F222 HydrophobicContact CG-CE1 4.41Å; A220-F222 PolarHBondContact O-N 3.48Å; F222-Q224 PolarHBondContact O-N 2.7Å |
| 223 | Y | 85.6 | Confident | 84.1 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 14% | 0.137 | 29% | 0.286 | C | S | . | . | trans | -58.8 | 130.2 | 174.2 | 178.8 | -101.5 | 0 | 0 | 0 | 110.6 | R55 P56 L161 D194 L197 V198 | R55-Y223 PolarHBondContact NH2-O 3.13Å; P56-Y223 HydrophobicContact CG-CD1 4.34Å; P56-Y223 WeakPolarHBondContact O-CB 3.42Å; P56-Y223 PolarHBondContact O-N 3.02Å; L161-Y223 HydrophobicContact CD1-CD2 3.8Å; L161-Y223 HydrophobicContact CD1-CG 3.79Å; D194-Y223 VanDerWaalsContact CB-OH 3.3Å; D194-Y223 WeakPolarHBondContact CB-OH 3.4Å; D194-Y223 PolarHBondContact N-OH 3.18Å; L197-Y223 HydrophobicContact CB-CE2 4.29Å; L197-Y223 HydrophobicContact CD1-CE2 4.47Å; V198-Y223 HydrophobicContact CG2-CD2 3.82Å; V198-Y223 HydrophobicContact CG2-CE2 3.9Å | ||
| 224 | Q | 81.4 | Confident | 84.7 | Confident | 61 Ų | 61 | 51.8 Ų | 51.8 | 29% | 0.285 | 27% | 0.265 | S | S | . | . | trans | -139.2 | 127.8 | 177.4 | -71 | 178.3 | 76.6 | 0 | 0 | 107.4 | P215 F222 M226 | P215-Q224 VanDerWaalsContact O-CD 3.32Å; P215-Q224 PolarHBondContact O-NE2 3.44Å; P215-Q224 PolarHBondContact O-OE1 2.95Å; F222-Q224 PolarHBondContact O-N 2.7Å; Q224-M226 PolarHBondContact O-N 3.24Å | ||
| 225 | Y | 83.1 | Confident | 85.1 | Confident | 68 Ų | 68 | 55.1 Ų | 55.1 | 27% | 0.267 | 28% | 0.28 | S | S | . | . | trans | -67.4 | 135 | 173.9 | -178.9 | -89.5 | 0 | 0 | 0 | 110 | H190 L197 | H190-Y225 AromaticContact CE1-CD1 3.23Å; H190-Y225 WeakPolarHBondContact CE1-CD1 3.3Å; H190-Y225 AromaticContact CE1-CE1 3.61Å; H190-Y225 AromaticContact CE1-CG 3.54Å; H190-Y225 AromaticContact ND1-CD1 3.51Å; H190-Y225 AromaticContact ND1-CD2 3.64Å; H190-Y225 AromaticContact ND1-CG 3.27Å; H190-Y225 VanDerWaalsContact ND1-CG 3.27Å; L197-Y225 HydrophobicContact CD1-CD2 4.2Å | ||
| 226 | M | 83.8 | Confident | 85.7 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -126.6 | 149.4 | 170.9 | -57.9 | -172.3 | -178.3 | 0 | 0 | 108.2 | L197 I218 Q224 T228 F231 P234 | L197-M226 HydrophobicContact CD1-CB 4.25Å; L197-M226 VanDerWaalsContact CD1-N 3.28Å; L197-M226 HydrophobicContact CD2-CB 3.97Å; I218-M226 HydrophobicContact CB-CE 4.35Å; I218-M226 HydrophobicContact CD1-CE 4.09Å; I218-M226 HydrophobicContact CD1-SD 3.99Å; Q224-M226 PolarHBondContact O-N 3.24Å; M226-T228 PolarHBondContact O-N 2.74Å; M226-T228 VanDerWaalsContact O-N 3.16Å; M226-F231 HydrophobicContact CB-CD2 4.26Å; M226-F231 HydrophobicContact CB-CE2 4.11Å; M226-F231 HydrophobicContact SD-CE2 3.73Å; M226-F231 HydrophobicContact SD-CZ 4.43Å; M226-P234 HydrophobicContact CE-CG 4.38Å; M226-P234 HydrophobicContact SD-CG 4.4Å | ||
| 227 | D | 82.6 | Confident | 86.4 | Confident | 92 Ų | 92 | 49.6 Ų | 49.6 | 49% | 0.492 | 24% | 0.241 | S | C | . | . | trans | -62.2 | 120.6 | 177.2 | -177.1 | 4 | 0 | 0 | 0 | 110.5 | H229 | D227-H229 IonicContact OD1-CG 3.38Å; D227-H229 PolarHBondContact OD1-N 3.31Å; D227-H229 IonicContact OD1-ND1 3.1Å; D227-H229 PolarHBondContact OD1-ND1 3.26Å; D227-H229 VanDerWaalsContact OD1-ND1 3.1Å | ||
| 228 | T | 85.2 | Confident | 86.5 | Confident | 30 Ų | 30 | 51.6 Ų | 51.6 | 18% | 0.184 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -87.4 | -16.4 | -175.7 | 57.6 | 0 | 0 | 0 | 0 | 113.3 | F196 L197 M226 N230 | F196-T228 HydrophobicContact CD1-CG2 3.79Å; F196-T228 HydrophobicContact CE1-CG2 4.29Å; L197-T228 HydrophobicContact CD1-CG2 4.2Å; L197-T228 HydrophobicContact CD2-CG2 3.94Å; L197-T228 HydrophobicContact CG-CG2 3.88Å; M226-T228 PolarHBondContact O-N 2.74Å; M226-T228 VanDerWaalsContact O-N 3.16Å; T228-N230 PolarHBondContact O-N 3.41Å |
| 229 | H | 78.6 | Confident | 86.5 | Confident | 144 Ų | 144 | 53.6 Ų | 53.6 | 67% | 0.667 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -34.6 | -175.9 | -66.2 | 84 | 0 | 0 | 0 | 112.8 | D227 | D227-H229 IonicContact OD1-CG 3.38Å; D227-H229 PolarHBondContact OD1-N 3.31Å; D227-H229 IonicContact OD1-ND1 3.1Å; D227-H229 PolarHBondContact OD1-ND1 3.26Å; D227-H229 VanDerWaalsContact OD1-ND1 3.1Å |
| 230 | N | 81.3 | Confident | 86.4 | Confident | 137 Ų | 137 | 53.6 Ų | 53.6 | 73% | 0.733 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -133.5 | 42.9 | 178 | -74.9 | -45.9 | 0 | 0 | 0 | 111 | T228 K232 | T228-N230 PolarHBondContact O-N 3.41Å; N230-K232 PolarHBondContact O-N 3.02Å |
| 231 | F | 88.1 | Confident | 86.7 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | trans | -55.4 | 127 | -176.6 | -175.8 | -92.3 | 0 | 0 | 0 | 111.3 | V113 F196 L197 V200 I218 M226 L233 | V113-F231 HydrophobicContact CG1-CD1 4.19Å; V113-F231 HydrophobicContact CG1-CE1 3.85Å; V113-F231 HydrophobicContact CG2-CD1 3.98Å; V113-F231 HydrophobicContact CG2-CE1 4.36Å; F196-F231 HydrophobicContact CE1-CB 3.75Å; F196-F231 HydrophobicContact CE1-CD1 4.09Å; F196-F231 HydrophobicContact CE1-CD2 4.05Å; F196-F231 AromaticContact CE1-CG 3.68Å; F196-F231 HydrophobicContact CE1-CG 3.68Å; F196-F231 HydrophobicContact CZ-CB 3.94Å; F196-F231 AromaticContact CZ-CD1 3.87Å; F196-F231 HydrophobicContact CZ-CD1 3.87Å; F196-F231 AromaticContact CZ-CG 3.89Å; F196-F231 HydrophobicContact CZ-CG 3.89Å; L197-F231 HydrophobicContact CD2-CD2 3.72Å; L197-F231 HydrophobicContact CD2-CE2 3.61Å; V200-F231 HydrophobicContact CG1-CE1 4Å; V200-F231 HydrophobicContact CG1-CZ 4.11Å; V200-F231 HydrophobicContact CG2-CE1 4.42Å; I218-F231 HydrophobicContact CB-CZ 4.3Å; I218-F231 HydrophobicContact CD1-CE2 4.37Å; I218-F231 HydrophobicContact CD1-CZ 4.28Å; I218-F231 HydrophobicContact CG1-CZ 4.13Å; M226-F231 HydrophobicContact CB-CD2 4.26Å; M226-F231 HydrophobicContact CB-CE2 4.11Å; M226-F231 HydrophobicContact SD-CE2 3.73Å; M226-F231 HydrophobicContact SD-CZ 4.43Å; F231-L233 HydrophobicContact CE1-CD2 4.19Å; F231-L233 HydrophobicContact CE1-CG 4.41Å | ||
| 232 | K | 87.9 | Confident | 87 | Confident | 174 Ų | 174 | 55.1 Ų | 55.1 | 76% | 0.757 | 27% | 0.267 | S | S | * | . | trans | -125.8 | 138.8 | 171.9 | -69.8 | -176.3 | -179.5 | -179.3 | 0 | 108.3 | N230 P234 | N230-K232 PolarHBondContact O-N 3.02Å; K232-P234 WeakPolarHBondContact O-CD 3.27Å | ||
| 233 | L | 91.3 | Very high | 87.3 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 11% | 0.11 | 29% | 0.292 | C | S | . | . | trans | -58.5 | 128.7 | 174.7 | -79.2 | 167.1 | 0 | 0 | 0 | 110 | V113 W114 V117 V200 I218 F231 D237 L238 | V113-L233 HydrophobicContact CG1-CD1 3.7Å; V113-L233 HydrophobicContact CG1-CD2 3.79Å; V113-L233 HydrophobicContact CG1-CG 3.5Å; V113-L233 VanDerWaalsContact CG1-CG 3.5Å; W114-L233 HydrophobicContact CD2-CD1 4.43Å; W114-L233 HydrophobicContact CE3-CD1 3.75Å; W114-L233 HydrophobicContact CE3-CD2 4.39Å; W114-L233 HydrophobicContact CH2-CD1 4.45Å; W114-L233 HydrophobicContact CH2-CD2 3.72Å; W114-L233 HydrophobicContact CZ2-CD2 4.08Å; W114-L233 HydrophobicContact CZ3-CD1 3.76Å; W114-L233 HydrophobicContact CZ3-CD2 3.89Å; W114-L233 HydrophobicContact CZ3-CG 4.5Å; V117-L233 HydrophobicContact CB-CD1 4.45Å; V117-L233 HydrophobicContact CG1-CD1 4.2Å; V117-L233 HydrophobicContact CG2-CD1 3.47Å; V117-L233 VanDerWaalsContact CG2-CD1 3.47Å; V200-L233 HydrophobicContact CG1-CD2 4.15Å; I218-L233 HydrophobicContact CG2-CD2 3.76Å; F231-L233 HydrophobicContact CE1-CD2 4.19Å; F231-L233 HydrophobicContact CE1-CG 4.41Å; L233-D237 HydrophobicContact CD2-CB 4.18Å; L233-L238 HydrophobicContact CB-CB 4.5Å | ||
| 234 | P | 89.6 | Confident | 87.5 | Confident | 24 Ų | 24 | 60.3 Ų | 60.3 | 16% | 0.156 | 29% | 0.292 | C | S | . | . | trans | -57.8 | 156.9 | 169.9 | -21.9 | 32.2 | 0 | 0 | 0 | 111.5 | S216 M226 K232 D236 D237 L238 | S216-P234 VanDerWaalsContact O-CG 3.28Å; S216-P234 WeakPolarHBondContact O-CG 3.42Å; M226-P234 HydrophobicContact CE-CG 4.38Å; M226-P234 HydrophobicContact SD-CG 4.4Å; K232-P234 WeakPolarHBondContact O-CD 3.27Å; P234-D236 VanDerWaalsContact C-N 3.27Å; P234-D236 PolarHBondContact O-N 3.16Å; P234-D237 VanDerWaalsContact CB-OD2 3.27Å; P234-D237 WeakPolarHBondContact CB-OD2 3.33Å; P234-D237 VanDerWaalsContact CD-OD2 3.26Å; P234-D237 WeakPolarHBondContact CD-OD2 3.25Å; P234-D237 WeakPolarHBondContact CG-OD2 3.24Å; P234-D237 PolarHBondContact O-N 2.76Å; P234-L238 PolarHBondContact O-N 3.45Å | ||
| 235 | M | 86.8 | Confident | 88.1 | Confident | 125 Ų | 125 | 58.9 Ų | 58.9 | 62% | 0.616 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -66.3 | -29.7 | -168.8 | -171.5 | 51 | -179.7 | 0 | 0 | 112.7 | L238 Q239 | M235-L238 HydrophobicContact SD-CD2 4.34Å; M235-Q239 HydrophobicContact CE-CG 4.03Å; M235-Q239 WeakPolarHBondContact O-CB 3.06Å; M235-Q239 WeakPolarHBondContact O-CG 3.38Å; M235-Q239 PolarHBondContact O-N 3.05Å; M235-Q239 PolarHBondContact O-NE2 3.37Å; M235-Q239 HydrophobicContact SD-CG 4.32Å |
| 236 | D | 87.5 | Confident | 88.4 | Confident | 24 Ų | 24 | 57 Ų | 57 | 13% | 0.128 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.2 | -48.1 | 175.2 | -169.1 | 60.4 | 0 | 0 | 0 | 111.4 | Y75 S212 A217 P234 Q239 G240 | Y75-D236 WeakPolarHBondContact CD1-OD1 3.28Å; S212-D236 VanDerWaalsContact CB-OD2 3.25Å; S212-D236 WeakPolarHBondContact CB-OD2 3.34Å; S212-D236 PolarHBondContact OG-OD2 2.72Å; A217-D236 HydrophobicContact CB-CB 4.18Å; P234-D236 VanDerWaalsContact C-N 3.27Å; P234-D236 PolarHBondContact O-N 3.16Å; D236-Q239 PolarHBondContact O-N 2.86Å; D236-G240 PolarHBondContact O-N 3.02Å |
| 237 | D | 91.7 | Very high | 88.6 | Confident | 3 Ų | 3 | 60.1 Ų | 60.1 | 2% | 0.016 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66.5 | -42.5 | -179.2 | -49.8 | -70.9 | 0 | 0 | 0 | 111.8 | W114 A217 I218 M219 L233 P234 Q239 G240 I241 | W114-D237 HydrophobicContact CH2-CB 4.25Å; A217-D237 WeakPolarHBondContact CA-OD2 3.42Å; I218-D237 HydrophobicContact CG2-CB 4.04Å; I218-D237 VanDerWaalsContact CG2-CG 3.47Å; I218-D237 PolarHBondContact N-OD1 3.12Å; I218-D237 PolarHBondContact N-OD2 2.77Å; M219-D237 VanDerWaalsContact CB-OD1 3.23Å; M219-D237 WeakPolarHBondContact CB-OD1 3.38Å; M219-D237 WeakPolarHBondContact CG-OD1 3.45Å; M219-D237 PolarHBondContact N-OD1 2.72Å; L233-D237 HydrophobicContact CD2-CB 4.18Å; P234-D237 VanDerWaalsContact CB-OD2 3.27Å; P234-D237 WeakPolarHBondContact CB-OD2 3.33Å; P234-D237 VanDerWaalsContact CD-OD2 3.26Å; P234-D237 WeakPolarHBondContact CD-OD2 3.25Å; P234-D237 WeakPolarHBondContact CG-OD2 3.24Å; P234-D237 PolarHBondContact O-N 2.76Å; D237-Q239 PolarHBondContact O-N 3.47Å; D237-G240 PolarHBondContact O-N 2.8Å; D237-I241 WeakPolarHBondContact O-CG2 3.36Å; D237-I241 PolarHBondContact O-N 3.13Å |
| 238 | L | 92.1 | Very high | 88.6 | Confident | 43 Ų | 43 | 56.3 Ų | 56.3 | 23% | 0.225 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 176.7 | -177.9 | 149 | 0 | 0 | 0 | 111.4 | V117 L233 P234 M235 I241 Q242 | V117-L238 HydrophobicContact CG1-CD1 4.36Å; L233-L238 HydrophobicContact CB-CB 4.5Å; P234-L238 PolarHBondContact O-N 3.45Å; M235-L238 HydrophobicContact SD-CD2 4.34Å; L238-I241 WeakPolarHBondContact O-CG2 3.43Å; L238-Q242 VanDerWaalsContact O-CB 3.31Å; L238-Q242 WeakPolarHBondContact O-CB 3.27Å; L238-Q242 WeakPolarHBondContact O-CG 2.99Å; L238-Q242 PolarHBondContact O-N 2.8Å; L238-Q242 VanDerWaalsContact O-N 3.13Å |
| 239 | Q | 88.8 | Confident | 87.6 | Confident | 53 Ų | 53 | 59.1 Ų | 59.1 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.2 | -37.5 | 177.7 | -73.5 | 171 | 89.5 | 0 | 0 | 111.9 | Y75 M235 D236 D237 K243 | Y75-Q239 HydrophobicContact CD1-CB 4.04Å; Y75-Q239 HydrophobicContact CE1-CB 3.38Å; Y75-Q239 HydrophobicContact CE1-CG 4.23Å; Y75-Q239 HydrophobicContact CE2-CB 4.38Å; Y75-Q239 VanDerWaalsContact OH-CD 3.3Å; Y75-Q239 PolarHBondContact OH-OE1 3.48Å; M235-Q239 HydrophobicContact CE-CG 4.03Å; M235-Q239 WeakPolarHBondContact O-CB 3.06Å; M235-Q239 WeakPolarHBondContact O-CG 3.38Å; M235-Q239 PolarHBondContact O-N 3.05Å; M235-Q239 PolarHBondContact O-NE2 3.37Å; M235-Q239 HydrophobicContact SD-CG 4.32Å; D236-Q239 PolarHBondContact O-N 2.86Å; D237-Q239 PolarHBondContact O-N 3.47Å; Q239-K243 VanDerWaalsContact O-CB 3.26Å; Q239-K243 WeakPolarHBondContact O-CB 3.25Å; Q239-K243 PolarHBondContact O-N 3.15Å |
| 240 | G | 90.7 | Very high | 86.5 | Confident | 3 Ų | 3 | 57.9 Ų | 57.9 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -57.5 | -53.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | D236 D237 K243 I244 | D236-G240 PolarHBondContact O-N 3.02Å; D237-G240 PolarHBondContact O-N 2.8Å; G240-K243 WeakPolarHBondContact O-CB 3.31Å; G240-K243 PolarHBondContact O-N 3.44Å; G240-I244 PolarHBondContact O-N 2.74Å |
| 241 | I | 94.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.6 | -39 | -175.3 | -163.6 | 68.6 | 0 | 0 | 0 | 112.2 | W114 V117 T118 L207 L209 D237 L238 K243 I244 Y245 | W114-I241 HydrophobicContact CE3-CB 4.11Å; W114-I241 HydrophobicContact CE3-CD1 4.31Å; W114-I241 HydrophobicContact CE3-CG1 3.87Å; W114-I241 HydrophobicContact CE3-CG2 4.09Å; W114-I241 HydrophobicContact CZ3-CB 3.81Å; W114-I241 HydrophobicContact CZ3-CD1 4.43Å; W114-I241 HydrophobicContact CZ3-CG1 4.05Å; W114-I241 HydrophobicContact CZ3-CG2 3.88Å; V117-I241 HydrophobicContact CG2-CG2 3.92Å; T118-I241 HydrophobicContact CG2-CB 4.34Å; T118-I241 HydrophobicContact CG2-CD1 4.48Å; T118-I241 HydrophobicContact CG2-CG1 3.4Å; T118-I241 VanDerWaalsContact CG2-CG1 3.4Å; T118-I241 HydrophobicContact CG2-CG2 4.04Å; L207-I241 HydrophobicContact CB-CD1 3.77Å; L207-I241 HydrophobicContact CD1-CD1 4.14Å; L209-I241 HydrophobicContact CD1-CB 4.24Å; L209-I241 HydrophobicContact CD1-CD1 4.16Å; L209-I241 HydrophobicContact CD2-CB 4.37Å; L209-I241 HydrophobicContact CD2-CD1 4.38Å; L209-I241 HydrophobicContact CG-CD1 4.11Å; D237-I241 WeakPolarHBondContact O-CG2 3.36Å; D237-I241 PolarHBondContact O-N 3.13Å; L238-I241 WeakPolarHBondContact O-CG2 3.43Å; I241-K243 PolarHBondContact O-N 2.62Å; I241-I244 PolarHBondContact O-N 3.28Å; I241-Y245 HydrophobicContact CD1-CD2 3.67Å; I241-Y245 HydrophobicContact CD1-CE2 3.69Å; I241-Y245 HydrophobicContact CG1-CD2 4.04Å; I241-Y245 PolarHBondContact O-N 2.81Å |
| 242 | Q | 92.6 | Very high | 82.9 | Confident | 45 Ų | 45 | 63.3 Ų | 63.3 | 21% | 0.21 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -68.1 | -24.9 | 176.6 | -71.8 | -180 | -9 | 0 | 0 | 112.2 | V117 L238 I244 G246 I247 | V117-Q242 WeakPolarHBondContact O-CG 3.36Å; V117-Q242 PolarHBondContact O-NE2 2.9Å; L238-Q242 VanDerWaalsContact O-CB 3.31Å; L238-Q242 WeakPolarHBondContact O-CB 3.27Å; L238-Q242 WeakPolarHBondContact O-CG 2.99Å; L238-Q242 PolarHBondContact O-N 2.8Å; L238-Q242 VanDerWaalsContact O-N 3.13Å; Q242-I244 VanDerWaalsContact C-N 3.29Å; Q242-G246 WeakPolarHBondContact O-CA 3.26Å; Q242-G246 PolarHBondContact O-N 2.85Å; Q242-I247 HydrophobicContact CG-CG1 4.47Å |
| 243 | K | 91.1 | Very high | 80.6 | Confident | 127 Ų | 127 | 63.4 Ų | 63.4 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -70.5 | -26.1 | 171.4 | -175.9 | 166.9 | 169.9 | -170.6 | 0 | 112.7 | Y75 L77 Q239 G240 I241 | Y75-K243 HydrophobicContact CD2-CD 3.98Å; Y75-K243 HydrophobicContact CE2-CD 4.35Å; L77-K243 HydrophobicContact CD1-CB 4.42Å; L77-K243 HydrophobicContact CD1-CD 3.71Å; L77-K243 HydrophobicContact CD1-CG 3.95Å; Q239-K243 VanDerWaalsContact O-CB 3.26Å; Q239-K243 WeakPolarHBondContact O-CB 3.25Å; Q239-K243 PolarHBondContact O-N 3.15Å; G240-K243 WeakPolarHBondContact O-CB 3.31Å; G240-K243 PolarHBondContact O-N 3.44Å; I241-K243 PolarHBondContact O-N 2.62Å |
| 244 | I | 90.3 | Very high | 78.8 | Confident | 25 Ų | 25 | 67.1 Ų | 67.1 | 13% | 0.128 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -82.1 | -51.1 | 175.3 | -57 | 175.4 | 0 | 0 | 0 | 111 | L77 K81 L209 G240 I241 Q242 | L77-I244 HydrophobicContact CD2-CD1 3.68Å; L77-I244 HydrophobicContact CD2-CG1 3.63Å; K81-I244 HydrophobicContact CB-CG2 3.47Å; K81-I244 VanDerWaalsContact CB-CG2 3.47Å; K81-I244 HydrophobicContact CD-CG2 4.04Å; K81-I244 HydrophobicContact CG-CG2 4.42Å; L209-I244 HydrophobicContact CD2-CD1 3.88Å; L209-I244 HydrophobicContact CG-CD1 4.44Å; G240-I244 PolarHBondContact O-N 2.74Å; I241-I244 PolarHBondContact O-N 3.28Å; Q242-I244 VanDerWaalsContact C-N 3.29Å |
| 245 | Y | 92.8 | Very high | 76.4 | Confident | 31 Ų | 31 | 72.7 Ų | 72.7 | 12% | 0.122 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -110.5 | -14.7 | -167.2 | -62.2 | -72.4 | 0 | 0 | 0 | 114.9 | K81 W82 T118 P119 L120 L207 I241 | K81-Y245 HydrophobicContact CB-CE1 4.11Å; W82-Y245 HydrophobicContact CB-CE1 4.17Å; W82-Y245 PolarHBondContact N-OH 2.65Å; W82-Y245 VanDerWaalsContact N-OH 3.09Å; T118-Y245 HydrophobicContact CG2-CD2 4.5Å; P119-Y245 WeakPolarHBondContact CD-O 3.18Å; P119-Y245 WeakPolarHBondContact CG-O 3.23Å; L120-Y245 HydrophobicContact CD1-CD1 4Å; L120-Y245 HydrophobicContact CD1-CD2 3.85Å; L120-Y245 HydrophobicContact CD1-CE1 4.05Å; L120-Y245 HydrophobicContact CD1-CE2 3.91Å; L120-Y245 HydrophobicContact CD1-CG 3.9Å; L120-Y245 HydrophobicContact CD2-CD1 3.69Å; L120-Y245 HydrophobicContact CD2-CE1 3.97Å; L120-Y245 HydrophobicContact CD2-CG 4.23Å; L120-Y245 HydrophobicContact CG-CD1 4.07Å; L120-Y245 HydrophobicContact CG-CE1 4.48Å; L120-Y245 HydrophobicContact CG-CG 4.1Å; L207-Y245 HydrophobicContact CB-CE2 4.15Å; L207-Y245 WeakPolarHBondContact O-CE2 3.31Å; L207-Y245 PolarHBondContact O-OH 3.38Å; I241-Y245 HydrophobicContact CD1-CD2 3.67Å; I241-Y245 HydrophobicContact CD1-CE2 3.69Å; I241-Y245 HydrophobicContact CG1-CD2 4.04Å; I241-Y245 PolarHBondContact O-N 2.81Å |
| 246 | G | 89.1 | Confident | 74 | Confident | 29 Ų | 29 | 77.8 Ų | 77.8 | 30% | 0.299 | 41% | 0.405 | S | S | . | . | trans | 86.2 | -177.8 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | P119 Q242 | P119-G246 VanDerWaalsContact CD-O 3.3Å; P119-G246 WeakPolarHBondContact CD-O 3.31Å; Q242-G246 WeakPolarHBondContact O-CA 3.26Å; Q242-G246 PolarHBondContact O-N 2.85Å | ||
| 247 | I | 88.2 | Confident | 71.6 | Confident | 102 Ų | 102 | 82.7 Ų | 82.7 | 52% | 0.523 | 44% | 0.439 | S | S | . | . | trans | -87.2 | 146 | 179.5 | -55.9 | 171.6 | 0 | 0 | 0 | 109 | Q242 T249 M251 | Q242-I247 HydrophobicContact CG-CG1 4.47Å; I247-T249 PolarHBondContact O-N 3.04Å; I247-M251 HydrophobicContact CG2-CB 4.4Å; I247-M251 HydrophobicContact CG2-SD 4.2Å | ||
| 248 | P | 82.3 | Confident | 68.8 | Low | 11 Ų | 11 | 90.4 Ų | 90.4 | 7% | 0.071 | 48% | 0.479 | C | S | . | . | trans | -56 | 131 | 175 | -20.7 | 27.3 | 0 | 0 | 0 | 112.6 | A116 V117 P250 M251 | A116-P248 WeakPolarHBondContact O-CG 3.22Å; V117-P248 VanDerWaalsContact C-CG 3.42Å; V117-P248 WeakPolarHBondContact O-CD 3.28Å; P248-P250 VanDerWaalsContact C-N 3.3Å; P248-M251 PolarHBondContact O-N 3.34Å; P248-M251 VanDerWaalsContact O-N 3.1Å | ||
| 249 | T | 64.7 | Low | 66.2 | Low | 89 Ų | 89 | 93.6 Ų | 93.6 | 55% | 0.546 | 50% | 0.502 | S | S | . | . | G | 310 helix | trans | -56.1 | -30 | 174.7 | -30.6 | 0 | 0 | 0 | 0 | 114.7 | I247 M251 L252 | I247-T249 PolarHBondContact O-N 3.04Å; T249-M251 PolarHBondContact O-N 3.21Å; T249-M251 VanDerWaalsContact O-N 3.11Å; T249-L252 WeakPolarHBondContact O-CA 3.25Å; T249-L252 WeakPolarHBondContact O-CB 3.25Å; T249-L252 PolarHBondContact O-N 3.25Å |
| 250 | P | 55.8 | Low | 63.9 | Low | 118 Ų | 118 | 97.9 Ų | 97.9 | 77% | 0.766 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -63.7 | -10.4 | 174.6 | -22.6 | 33.6 | 0 | 0 | 0 | 115.1 | P248 L252 | P248-P250 VanDerWaalsContact C-N 3.3Å; P250-L252 VanDerWaalsContact C-N 3.34Å |
| 251 | M | 48.1 | Very low | 61.2 | Low | 145 Ų | 145 | 105.5 Ų | 105.5 | 71% | 0.714 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -88.6 | -0.5 | 168.9 | -65.5 | -168 | 75.1 | 0 | 0 | 113.3 | I247 P248 T249 | I247-M251 HydrophobicContact CG2-CB 4.4Å; I247-M251 HydrophobicContact CG2-SD 4.2Å; P248-M251 PolarHBondContact O-N 3.34Å; P248-M251 VanDerWaalsContact O-N 3.1Å; T249-M251 PolarHBondContact O-N 3.21Å; T249-M251 VanDerWaalsContact O-N 3.11Å |
| 252 | L | 46.3 | Very low | 58.4 | Low | 138 Ų | 138 | 111 Ų | 111 | 72% | 0.723 | 61% | 0.607 | S | S | * | * | trans | -104.3 | 70.6 | 171.4 | -65.3 | 170.4 | 0 | 0 | 0 | 109.1 | T249 P250 | T249-L252 WeakPolarHBondContact O-CA 3.25Å; T249-L252 WeakPolarHBondContact O-CB 3.25Å; T249-L252 PolarHBondContact O-N 3.25Å; P250-L252 VanDerWaalsContact C-N 3.34Å | ||
| 253 | E | 39.1 | Very low | 55.5 | Low | 175 Ų | 175 | 114.5 Ų | 114.5 | 82% | 0.818 | 64% | 0.637 | S | S | * | * | trans | -92.1 | 149.4 | 154.9 | -92.2 | -116.7 | 148.6 | 0 | 0 | 110.5 | ||||
| 254 | P | 53.1 | Low | 52.7 | Low | 100 Ų | 100 | 120.3 Ų | 120.3 | 65% | 0.649 | 66% | 0.655 | S | S | * | * | trans | -105.2 | 118 | -140.6 | 33.5 | -24.5 | 0 | 0 | 0 | 112.3 | ||||
| 255 | T | 39 | Very low | 49.9 | Very low | 141 Ų | 141 | 129 Ų | 129 | 87% | 0.865 | 69% | 0.686 | S | S | * | * | trans | -161.3 | 96.3 | 154.2 | -14 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 256 | R | 37.4 | Very low | 46.9 | Very low | 231 Ų | 231 | 133.8 Ų | 133.8 | 87% | 0.872 | 72% | 0.719 | S | S | * | * | 169.1 | 133.7 | 117.7 | -100.7 | -178.6 | 167 | -176.8 | -3.2 | 110.6 | |||||
| 257 | P | 36.6 | Very low | 44.2 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 133 | 169.8 | 28.2 | -31.5 | 0 | 0 | 0 | 110 | ||
| 258 | L | 33.8 | Very low | 41.5 | Very low | 165 Ų | 165 | 140.7 Ų | 140.7 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 146.2 | 171.9 | -92.1 | 144.9 | 0 | 0 | 0 | 110.6 | ||
| 259 | P | 36.8 | Very low | 39 | Very low | 110 Ų | 110 | 146.8 Ų | 146.8 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -68.3 | 138.5 | -178.7 | -5.7 | 20.5 | 0 | 0 | 0 | 111.4 | L261 | P259-L261 PolarHBondContact O-N 3.04Š|
| 260 | T | 39.5 | Very low | 37.4 | Very low | 143 Ų | 143 | 147.3 Ų | 147.3 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 117.7 | 173.1 | -28.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 261 | L | 35.4 | Very low | 36.2 | Very low | 162 Ų | 162 | 150.7 Ų | 150.7 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 136 | 163.6 | -93.2 | 157 | 0 | 0 | 0 | 109.3 | P259 | P259-L261 PolarHBondContact O-N 3.04Š|
| 262 | P | 33.9 | Very low | 35.2 | Very low | 117 Ų | 117 | 150 Ų | 150 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 145.8 | -167 | -1.7 | 16.4 | 0 | 0 | 0 | 113.2 | ||
| 263 | S | 32 | Very low | 34.5 | Very low | 118 Ų | 118 | 151.3 Ų | 151.3 | 83% | 0.825 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -51.2 | 130.4 | 168.8 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | ||
| 264 | R | 31.9 | Very low | 34.7 | Very low | 248 Ų | 248 | 147.6 Ų | 147.6 | 94% | 0.936 | 80% | 0.803 | S | S | * | * | trans | -113.7 | 120.6 | 162.8 | -153.9 | 172.9 | -169.7 | -172.2 | 2.1 | 110.1 | ||||
| 265 | R | 31.3 | Very low | 33.7 | Very low | 209 Ų | 209 | 150 Ų | 150 | 79% | 0.789 | 81% | 0.81 | S | S | * | * | trans | -50.5 | 142.8 | -175.3 | -76.8 | 173.2 | 173.7 | 171.5 | -2.9 | 114.6 | ||||
| 266 | T | 30.5 | Very low | 33.5 | Very low | 131 Ų | 131 | 154.1 Ų | 154.1 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -52.1 | 131.9 | 153.2 | 39.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 267 | H | 32.8 | Very low | 33.2 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 80% | 0.796 | 81% | 0.812 | S | S | * | * | trans | -133.7 | 110.9 | 149 | -86.9 | -74.1 | 0 | 0 | 0 | 108.3 | ||||
| 268 | S | 30.7 | Very low | 32.8 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | -83.7 | 127.8 | 161.6 | 175.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 269 | T | 30.8 | Very low | 32.7 | Very low | 138 Ų | 138 | 152.2 Ų | 152.2 | 85% | 0.847 | 81% | 0.811 | S | S | * | * | trans | -144.5 | 119.2 | 151.5 | 45.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 270 | S | 31.7 | Very low | 32.5 | Very low | 100 Ų | 100 | 152.7 Ų | 152.7 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | trans | -66 | 142.7 | 170.3 | -43.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 271 | E | 29.9 | Very low | 32.1 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 88% | 0.883 | 81% | 0.812 | S | S | * | * | 152 | 144.5 | 118.5 | -85.3 | -173.6 | 158.1 | 0 | 0 | 115.4 | |||||
| 272 | C | 26.8 | Very low | 31.9 | Very low | 130 Ų | 130 | 153.4 Ų | 153.4 | 88% | 0.878 | 82% | 0.815 | S | S | * | * | trans | 87.2 | 101.5 | 159.7 | -95.5 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 273 | H | 32.6 | Very low | 32 | Very low | 166 Ų | 166 | 153.2 Ų | 153.2 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -79.1 | 166.5 | 137.8 | -130 | -88.8 | 0 | 0 | 0 | 107.9 | ||||
| 274 | P | 43.3 | Very low | 32.2 | Very low | 97 Ų | 97 | 153.8 Ų | 153.8 | 63% | 0.63 | 81% | 0.814 | S | S | * | * | cis | -140 | 167.1 | 22.8 | 37.3 | -13.1 | 0 | 0 | 0 | 116.6 | ||||
| 275 | D | 30.2 | Very low | 32.2 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | -170.9 | 150.2 | 93.2 | -94.3 | -32.9 | 0 | 0 | 0 | 115 | |||||
| 276 | R | 35 | Very low | 32.4 | Very low | 229 Ų | 229 | 143.7 Ų | 143.7 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | trans | -82.8 | 148.5 | 178.6 | -74.7 | 171.5 | 164.7 | 169.7 | -3.9 | 112.1 | ||||
| 277 | V | 32 | Very low | 32.4 | Very low | 149 Ų | 149 | 148.5 Ų | 148.5 | 90% | 0.903 | 82% | 0.815 | S | S | * | * | trans | -135.4 | 113.3 | 139.6 | -176.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 278 | A | 29 | Very low | 32.3 | Very low | 93 Ų | 93 | 145.9 Ų | 145.9 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -93.3 | 146.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 279 | R | 31 | Very low | 32.3 | Very low | 241 Ų | 241 | 145.8 Ų | 145.8 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | trans | -111.9 | 140.9 | 170 | -170.8 | 172.5 | -113.6 | -142.5 | 1.5 | 109.5 | ||||
| 280 | P | 32.8 | Very low | 32.5 | Very low | 120 Ų | 120 | 146.5 Ų | 146.5 | 78% | 0.779 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 153.1 | -152.2 | 30.6 | -29.9 | 0 | 0 | 0 | 114.9 | ||
| 281 | G | 31.6 | Very low | 33.3 | Very low | 81 Ų | 81 | 147.7 Ų | 147.7 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 150.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 282 | R | 30.4 | Very low | 33.7 | Very low | 240 Ų | 240 | 142.1 Ų | 142.1 | 91% | 0.906 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 145.7 | 178.1 | -165 | 175.6 | -144.5 | -172.4 | 6.2 | 110.1 | ||
| 283 | P | 35.5 | Very low | 34.8 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 160.7 | -174.3 | 11.6 | -1.6 | 0 | 0 | 0 | 113.6 | ||
| 284 | P | 37.1 | Very low | 36.1 | Very low | 130 Ų | 130 | 139.3 Ų | 139.3 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 127.5 | -178.4 | 32.8 | -30.6 | 0 | 0 | 0 | 110.8 | ||
| 285 | G | 31.1 | Very low | 37.6 | Very low | 72 Ų | 72 | 141.4 Ų | 141.4 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | -109.3 | 129 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | R287 | G285-R287 PolarHBondContact O-N 2.79Š| ||
| 286 | D | 36 | Very low | 40.3 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | trans | -50.3 | 125.3 | 178.2 | -67.7 | -54.1 | 0 | 0 | 0 | 112.7 | ||||
| 287 | R | 31 | Very low | 42.8 | Very low | 232 Ų | 232 | 128.2 Ų | 128.2 | 88% | 0.875 | 76% | 0.757 | S | S | * | * | trans | -130.8 | 132.1 | 164.5 | -116.9 | -178 | -174.9 | -174.1 | 1.3 | 109.1 | G285 A289 | G285-R287 PolarHBondContact O-N 2.79Å; R287-A289 PolarHBondContact O-N 3.39Å | ||
| 288 | P | 31 | Very low | 45.5 | Very low | 117 Ų | 117 | 121.7 Ų | 121.7 | 76% | 0.76 | 72% | 0.717 | S | S | * | * | trans | -58.7 | 136.7 | 178.1 | -17.6 | 28.3 | 0 | 0 | 0 | 110.9 | L290 | P288-L290 PolarHBondContact O-N 3.06Å; P288-L290 VanDerWaalsContact O-N 3.12Å | ||
| 289 | A | 29.9 | Very low | 48.4 | Very low | 103 Ų | 103 | 119.6 Ų | 119.6 | 85% | 0.851 | 70% | 0.696 | S | S | * | * | trans | -58.8 | 114.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111 | R287 | R287-A289 PolarHBondContact O-N 3.39Š| ||
| 290 | L | 35.3 | Very low | 51.1 | Low | 153 Ų | 153 | 112.4 Ų | 112.4 | 80% | 0.801 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 143.4 | 159.8 | -84.6 | 119.6 | 0 | 0 | 0 | 109.1 | P288 G292 | P288-L290 PolarHBondContact O-N 3.06Å; P288-L290 VanDerWaalsContact O-N 3.12Å; L290-G292 PolarHBondContact O-N 3.02Å |
| 291 | P | 47.2 | Very low | 53.7 | Low | 125 Ų | 125 | 106.7 Ų | 106.7 | 81% | 0.812 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 130 | -178.2 | -17.8 | 30.1 | 0 | 0 | 0 | 111.6 | ||
| 292 | G | 39.8 | Very low | 56.3 | Low | 72 Ų | 72 | 107.7 Ų | 107.7 | 74% | 0.742 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137 | -165.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L290 G294 | L290-G292 PolarHBondContact O-N 3.02Å; G292-G294 VanDerWaalsContact C-N 3.26Å; G292-G294 PolarHBondContact O-N 3.27Å; G292-G294 VanDerWaalsContact O-N 3.09Å |
| 293 | N | 48.6 | Very low | 59.3 | Low | 183 Ų | 183 | 96.3 Ų | 96.3 | 98% | 0.979 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -77.3 | 67 | 164.9 | -81 | -23.2 | 0 | 0 | 0 | 111.1 | ||
| 294 | G | 59.8 | Low | 62.1 | Low | 54 Ų | 54 | 91.9 Ų | 91.9 | 56% | 0.557 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -142.9 | 143.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G292 | G292-G294 VanDerWaalsContact C-N 3.26Å; G292-G294 PolarHBondContact O-N 3.27Å; G292-G294 VanDerWaalsContact O-N 3.09Å |
| 295 | K | 76 | Confident | 64.8 | Low | 140 Ų | 140 | 85.7 Ų | 85.7 | 61% | 0.609 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -55.6 | 130.5 | 171.3 | -68.9 | -174.5 | 174.5 | -163.8 | 0 | 108.8 | W320 P334 | K295-W320 HydrophobicContact CD-CZ3 4.45Å; K295-W320 HydrophobicContact CG-CH2 3.74Å; K295-W320 HydrophobicContact CG-CZ2 4.24Å; K295-W320 HydrophobicContact CG-CZ3 4.04Å; K295-P334 HydrophobicContact CB-CG 4.1Å; K295-P334 HydrophobicContact CD-CG 4.27Å |
| 296 | P | 87.2 | Confident | 67.8 | Low | 23 Ų | 23 | 82.3 Ų | 82.3 | 15% | 0.149 | 48% | 0.477 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 151.2 | 178.7 | 26.8 | -35 | 0 | 0 | 0 | 110.8 | K317 W320 W322 | P296-K317 HydrophobicContact CB-CD 4.44Å; P296-W320 VanDerWaalsContact CD-CE2 3.47Å; P296-W320 HydrophobicContact CG-CB 3.89Å; P296-W320 HydrophobicContact CG-CD2 4.13Å; P296-W320 HydrophobicContact CG-CG 3.5Å; P296-W320 VanDerWaalsContact CG-CG 3.5Å; P296-W322 HydrophobicContact CB-CH2 4.02Å; P296-W322 HydrophobicContact CB-CZ2 4.19Å; P296-W322 HydrophobicContact CG-CH2 3.49Å; P296-W322 VanDerWaalsContact CG-CH2 3.49Å; P296-W322 HydrophobicContact CG-CZ2 3.74Å; P296-W322 WeakPolarHBondContact O-CZ2 3.42Å |
| 297 | N | 87.2 | Confident | 70.5 | Confident | 79 Ų | 79 | 74.1 Ų | 74.1 | 42% | 0.422 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 138.7 | 170.1 | -170.2 | -35.4 | 0 | 0 | 0 | 108.7 | C299 D300 | N297-C299 PolarHBondContact O-N 3.46Å; N297-C299 WeakPolarHBondContact OD1-CB 3.5Å; N297-C299 PolarHBondContact OD1-N 3.06Å; N297-D300 PolarHBondContact N-OD2 2.76Å; N297-D300 VanDerWaalsContact O-CB 3.29Å; N297-D300 WeakPolarHBondContact O-CB 3.05Å; N297-D300 PolarHBondContact O-N 3.08Å; N297-D300 VanDerWaalsContact O-N 3.16Å |
| 298 | I | 88.8 | Confident | 73.3 | Confident | 13 Ų | 13 | 65 Ų | 65 | 7% | 0.067 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -61.2 | -32 | 176 | -162 | 171.2 | 0 | 0 | 0 | 111.5 | D300 G301 F303 W322 L324 V329 M486 | I298-D300 PolarHBondContact O-N 3.2Å; I298-G301 PolarHBondContact O-N 3.08Å; I298-F303 HydrophobicContact CG1-CE1 4.18Å; I298-F303 HydrophobicContact CG1-CZ 4.11Å; I298-F303 WeakPolarHBondContact O-CE1 3.38Å; I298-F303 VanDerWaalsContact O-CZ 3.28Å; I298-F303 WeakPolarHBondContact O-CZ 3.42Å; I298-W322 HydrophobicContact CB-CD2 4.41Å; I298-W322 HydrophobicContact CB-CZ2 4.42Å; I298-W322 HydrophobicContact CD1-CB 4.03Å; I298-W322 HydrophobicContact CD1-CD2 4.31Å; I298-W322 HydrophobicContact CD1-CG 3.83Å; I298-W322 HydrophobicContact CG1-CD2 4.24Å; I298-W322 HydrophobicContact CG1-CG 4.26Å; I298-L324 HydrophobicContact CD1-CD1 3.93Å; I298-L324 HydrophobicContact CD1-CD2 3.99Å; I298-L324 HydrophobicContact CD1-CG 4.34Å; I298-V329 HydrophobicContact CD1-CG2 3.54Å; I298-V329 HydrophobicContact CG2-CG2 4.22Å; I298-M486 HydrophobicContact CD1-CB 4.2Å; I298-M486 HydrophobicContact CD1-CG 4.3Å; I298-M486 HydrophobicContact CD1-SD 3.55Å; I298-M486 VanDerWaalsContact CD1-SD 3.55Å; I298-M486 HydrophobicContact CG1-CB 4.21Å; I298-M486 HydrophobicContact CG1-CG 4.21Å; I298-M486 HydrophobicContact CG1-SD 3.93Å |
| 299 | C | 89.9 | Confident | 76.1 | Confident | 49 Ų | 49 | 59.5 Ų | 59.5 | 33% | 0.331 | 36% | 0.364 | S | S | . | . | G | 310 helix | trans | -74.1 | -8.6 | 179 | -58.5 | 0 | 0 | 0 | 0 | 114 | N297 G301 C488 | N297-C299 PolarHBondContact O-N 3.46Å; N297-C299 WeakPolarHBondContact OD1-CB 3.5Å; N297-C299 PolarHBondContact OD1-N 3.06Å; C299-G301 PolarHBondContact O-N 3.1Å; C299-C488 WeakPolarHBondContact CA-SG 3.46Å; C299-C488 HydrophobicContact CB-CB 3.87Å; C299-C488 WeakPolarHBondContact CB-SG 3.45Å; C299-C488 WeakPolarHBondContact SG-CB 3.02Å; C299-C488 CovalentContact SG-SG 2.04Å; C299-C488 PolarHBondContact SG-SG 3.08Å |
| 300 | D | 86.5 | Confident | 78.8 | Confident | 90 Ų | 90 | 59.5 Ų | 59.5 | 48% | 0.481 | 34% | 0.342 | S | S | . | . | G | 310 helix | trans | -67.2 | -25.1 | 171.5 | -62.7 | -25.4 | 0 | 0 | 0 | 111.3 | N297 I298 K317 | N297-D300 PolarHBondContact N-OD2 2.76Å; N297-D300 VanDerWaalsContact O-CB 3.29Å; N297-D300 WeakPolarHBondContact O-CB 3.05Å; N297-D300 PolarHBondContact O-N 3.08Å; N297-D300 VanDerWaalsContact O-N 3.16Å; I298-D300 PolarHBondContact O-N 3.2Å; D300-K317 IonicContact OD2-NZ 2.7Å |
| 301 | G | 87.1 | Confident | 81.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 32% | 0.324 | C | S | . | . | trans | 65.7 | -153.5 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | I298 C299 K317 | I298-G301 PolarHBondContact O-N 3.08Å; C299-G301 PolarHBondContact O-N 3.1Å; G301-K317 VanDerWaalsContact O-CE 3.3Å; G301-K317 WeakPolarHBondContact O-CE 3.31Å; G301-K317 PolarHBondContact O-NZ 2.93Å | ||
| 302 | N | 87.3 | Confident | 83.1 | Confident | 102 Ų | 102 | 51.4 Ų | 51.4 | 55% | 0.545 | 29% | 0.292 | S | S | . | . | trans | 56.3 | 55.9 | -177.1 | -167.6 | 38 | 0 | 0 | 0 | 112.7 | ||||
| 303 | F | 93 | Very high | 85.6 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -72.2 | 150 | 177.8 | -46.5 | -54.4 | 0 | 0 | 0 | 109.8 | I298 V306 V315 F316 K317 Q444 Y458 I481 L482 M486 | I298-F303 HydrophobicContact CG1-CE1 4.18Å; I298-F303 HydrophobicContact CG1-CZ 4.11Å; I298-F303 WeakPolarHBondContact O-CE1 3.38Å; I298-F303 VanDerWaalsContact O-CZ 3.28Å; I298-F303 WeakPolarHBondContact O-CZ 3.42Å; F303-V306 HydrophobicContact CB-CG2 4.24Å; F303-V306 HydrophobicContact CD2-CG2 4.02Å; F303-V306 HydrophobicContact CG-CG2 4.44Å; F303-V315 HydrophobicContact CB-CG1 4.01Å; F303-V315 HydrophobicContact CD1-CG1 3.28Å; F303-V315 HydrophobicContact CD2-CG1 3.79Å; F303-V315 HydrophobicContact CE1-CG1 3.57Å; F303-V315 HydrophobicContact CE2-CG1 4.05Å; F303-V315 HydrophobicContact CG-CG1 3.4Å; F303-V315 HydrophobicContact CZ-CG1 3.93Å; F303-F316 CarbonylContact C-O 3.5Å; F303-K317 HydrophobicContact CD1-CB 4.27Å; F303-K317 HydrophobicContact CD1-CD 4.28Å; F303-Q444 PolarHBondContact O-NE2 3.42Å; F303-Y458 HydrophobicContact CB-CE1 3.89Å; F303-Y458 HydrophobicContact CD2-CE1 4.19Å; F303-Y458 HydrophobicContact CD2-CE2 4.19Å; F303-Y458 AromaticContact CD2-CZ 3.68Å; F303-Y458 WeakPolarHBondContact CD2-OH 3.25Å; F303-Y458 PolarHBondContact N-OH 2.86Å; F303-I481 HydrophobicContact CE2-CG2 4.17Å; F303-L482 HydrophobicContact CE2-CD2 3.98Å; F303-L482 HydrophobicContact CZ-CD2 3.76Å; F303-M486 HydrophobicContact CD2-CE 4.49Å; F303-M486 HydrophobicContact CE2-CE 3.82Å; F303-M486 HydrophobicContact CE2-CG 4.14Å; F303-M486 HydrophobicContact CE2-SD 4.23Å; F303-M486 HydrophobicContact CZ-CE 4.34Å; F303-M486 HydrophobicContact CZ-CG 4.01Å; F303-M486 HydrophobicContact CZ-SD 4.16Å | ||
| 304 | N | 93.5 | Very high | 87.7 | Confident | 19 Ų | 19 | 39.9 Ų | 39.9 | 10% | 0.102 | 21% | 0.213 | C | C | . | . | S | Bend | trans | -70.2 | -47.8 | 171.6 | -56 | 138 | 0 | 0 | 0 | 110.5 | F316 D318 R347 I348 | N304-F316 PolarHBondContact N-O 3.09Å; N304-D318 VanDerWaalsContact OD1-CA 3.3Å; N304-D318 WeakPolarHBondContact OD1-CA 3.32Å; N304-D318 PolarHBondContact OD1-N 3.41Å; N304-R347 PolarHBondContact ND2-NE 2.78Å; N304-R347 VanDerWaalsContact ND2-NE 3.15Å; N304-I348 WeakPolarHBondContact CB-O 3.48Å |
| 305 | T | 94.5 | Very high | 89.4 | Confident | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.006 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 161.3 | 174.5 | -161.4 | 0 | 0 | 0 | 0 | 111 | F316 I348 D349 Q444 | T305-F316 HydrophobicContact CG2-CB 4.05Å; T305-F316 HydrophobicContact CG2-CD2 3.74Å; T305-F316 HydrophobicContact CG2-CG 4.11Å; T305-F316 PolarHBondContact N-O 3.2Å; T305-F316 PolarHBondContact O-N 3.26Å; T305-I348 HydrophobicContact CG2-CD1 3.64Å; T305-I348 HydrophobicContact CG2-CG1 3.79Å; T305-D349 WeakPolarHBondContact CB-O 3.44Å; T305-Q444 VanDerWaalsContact CA-O 3.27Å; T305-Q444 WeakPolarHBondContact CA-O 3.16Å; T305-Q444 VanDerWaalsContact CB-O 3.3Å; T305-Q444 WeakPolarHBondContact CB-O 3.14Å; T305-Q444 PolarHBondContact OG1-O 3.42Å |
| 306 | V | 94.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 126.8 | 175.3 | -177.9 | 0 | 0 | 0 | 0 | 107.1 | F303 L313 F314 V315 F447 Y458 I481 | F303-V306 HydrophobicContact CB-CG2 4.24Å; F303-V306 HydrophobicContact CD2-CG2 4.02Å; F303-V306 HydrophobicContact CG-CG2 4.44Å; V306-L313 HydrophobicContact CG1-CD1 3.53Å; V306-L313 HydrophobicContact CG1-CD2 3.91Å; V306-L313 HydrophobicContact CG1-CG 3.66Å; V306-F314 WeakPolarHBondContact CA-O 3.37Å; V306-V315 HydrophobicContact CG1-CG2 4.23Å; V306-V315 HydrophobicContact CG2-CG1 4.38Å; V306-V315 HydrophobicContact CG2-CG2 4.37Å; V306-F447 HydrophobicContact CB-CD1 4.5Å; V306-F447 HydrophobicContact CB-CE1 4.38Å; V306-F447 HydrophobicContact CG1-CD1 4.09Å; V306-F447 HydrophobicContact CG1-CE1 3.83Å; V306-Y458 HydrophobicContact CG2-CD1 3.9Å; V306-Y458 HydrophobicContact CG2-CE1 4.16Å; V306-Y458 HydrophobicContact CG2-CG 4.3Å; V306-I481 HydrophobicContact CG2-CD1 4.29Å |
| 307 | A | 92.5 | Very high | 90.5 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.008 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 152.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | F309 F314 F316 A351 | A307-F309 HydrophobicContact CB-CD2 4.33Å; A307-F309 HydrophobicContact CB-CE1 4.04Å; A307-F309 HydrophobicContact CB-CE2 3.69Å; A307-F309 HydrophobicContact CB-CZ 3.53Å; A307-F314 PolarHBondContact N-O 2.86Å; A307-F314 PolarHBondContact O-N 2.84Å; A307-F316 HydrophobicContact CB-CE2 4.28Å; A307-A351 HydrophobicContact CB-CB 4.04Å |
| 308 | F | 90.1 | Very high | 90.6 | Very high | 41 Ų | 41 | 30.7 Ų | 30.7 | 18% | 0.18 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 117.5 | 174.9 | -166.7 | -101 | 0 | 0 | 0 | 108.4 | N311 E312 L313 F447 T448 | F308-N311 VanDerWaalsContact CE1-CA 3.47Å; F308-N311 HydrophobicContact CE1-CB 4.46Å; F308-N311 VanDerWaalsContact CZ-C 3.43Å; F308-N311 HydrophobicContact CZ-CB 4.3Å; F308-E312 CarbonylContact C-O 3.59Å; F308-E312 WeakPolarHBondContact CA-O 3.31Å; F308-E312 WeakPolarHBondContact CD2-O 3.46Å; F308-L313 HydrophobicContact CD2-CB 4.49Å; F308-L313 HydrophobicContact CD2-CD1 4.06Å; F308-F447 HydrophobicContact CB-CB 3.66Å; F308-F447 HydrophobicContact CB-CD2 3.97Å; F308-F447 HydrophobicContact CB-CG 4.11Å; F308-F447 HydrophobicContact CD2-CD2 4.48Å; F308-F447 HydrophobicContact CG-CD2 4.47Å; F308-T448 WeakPolarHBondContact CD1-O 3.34Å |
| 309 | F | 90.1 | Very high | 90.6 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 0% | 0.004 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 131.9 | -178.3 | -60.3 | -48.9 | 0 | 0 | 0 | 109 | A307 N311 E312 F314 F316 W341 A351 E353 F359 F361 | A307-F309 HydrophobicContact CB-CD2 4.33Å; A307-F309 HydrophobicContact CB-CE1 4.04Å; A307-F309 HydrophobicContact CB-CE2 3.69Å; A307-F309 HydrophobicContact CB-CZ 3.53Å; F309-N311 PolarHBondContact O-N 3.09Å; F309-E312 PolarHBondContact N-O 3.37Å; F309-E312 PolarHBondContact O-N 3.26Å; F309-F314 HydrophobicContact CB-CD2 3.94Å; F309-F314 HydrophobicContact CB-CE2 3.82Å; F309-F314 HydrophobicContact CD2-CB 4.04Å; F309-F314 HydrophobicContact CD2-CD1 4.3Å; F309-F314 AromaticContact CD2-CD2 3.59Å; F309-F314 HydrophobicContact CD2-CD2 3.59Å; F309-F314 HydrophobicContact CD2-CE2 4.05Å; F309-F314 AromaticContact CD2-CG 3.73Å; F309-F314 HydrophobicContact CD2-CG 3.73Å; F309-F314 HydrophobicContact CE2-CB 4.28Å; F309-F314 HydrophobicContact CE2-CG 4.36Å; F309-F314 HydrophobicContact CG-CD2 4.19Å; F309-F314 HydrophobicContact CG-CE2 4.44Å; F309-F316 HydrophobicContact CE2-CE2 4.34Å; F309-F316 HydrophobicContact CE2-CZ 4.22Å; F309-W341 HydrophobicContact CD2-CH2 4.06Å; F309-W341 HydrophobicContact CD2-CZ2 4.32Å; F309-W341 AromaticContact CE2-CH2 3.98Å; F309-W341 HydrophobicContact CE2-CH2 3.98Å; F309-W341 HydrophobicContact CE2-CZ2 4.31Å; F309-A351 HydrophobicContact CZ-CB 3.71Å; F309-E353 HydrophobicContact CD1-CB 4.1Å; F309-F359 HydrophobicContact CB-CD1 4.28Å; F309-F359 HydrophobicContact CB-CE1 3.85Å; F309-F359 HydrophobicContact CB-CZ 4.13Å; F309-F359 AromaticContact CD1-CD1 3.55Å; F309-F359 HydrophobicContact CD1-CD1 3.55Å; F309-F359 AromaticContact CD1-CE1 3.96Å; F309-F359 HydrophobicContact CD1-CE1 3.96Å; F309-F359 HydrophobicContact CD1-CG 4.13Å; F309-F359 HydrophobicContact CE1-CB 4.17Å; F309-F359 AromaticContact CE1-CD1 3.97Å; F309-F359 HydrophobicContact CE1-CD1 3.97Å; F309-F359 HydrophobicContact CE1-CG 4.23Å; F309-F359 AromaticContact CG-CD1 3.97Å; F309-F359 HydrophobicContact CG-CD1 3.97Å; F309-F359 HydrophobicContact CG-CE1 4.06Å; F309-F359 HydrophobicContact CG-CG 4.39Å; F309-F359 HydrophobicContact CZ-CB 4.33Å; F309-F361 AromaticContact CE2-CE1 3.89Å; F309-F361 HydrophobicContact CE2-CE1 3.89Å; F309-F361 AromaticContact CE2-CZ 4Å; F309-F361 HydrophobicContact CE2-CZ 4Å; F309-F361 AromaticContact CZ-CE1 3.87Å; F309-F361 HydrophobicContact CZ-CE1 3.87Å; F309-F361 HydrophobicContact CZ-CZ 4.02Å |
| 310 | R | 86.5 | Confident | 90.6 | Very high | 104 Ų | 104 | 33.7 Ų | 33.7 | 39% | 0.392 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.3 | 42 | 174.1 | -62.4 | -171 | 175 | -167.2 | 0.5 | 114.4 | E353 F359 E372 | R310-E353 PolarHBondContact N-OE2 3.05Å; R310-F359 HydrophobicContact CG-CE1 4.19Å; R310-F359 HydrophobicContact CG-CZ 3.99Å; R310-E372 IonicContact CZ-OE1 3.9Å; R310-E372 IonicContact NH1-OE1 2.88Å; R310-E372 PolarHBondContact NH1-OE1 2.92Å; R310-E372 VanDerWaalsContact NH1-OE1 3.08Å; R310-E372 IonicContact NH2-OE1 2.75Å; R310-E372 PolarHBondContact NH2-OE1 2.85Å |
| 311 | N | 83.1 | Confident | 91 | Very high | 78 Ų | 78 | 29.4 Ų | 29.4 | 42% | 0.417 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.4 | 16.8 | -178.8 | -58.9 | -32.5 | 0 | 0 | 0 | 117.4 | F308 F309 R450 | F308-N311 VanDerWaalsContact CE1-CA 3.47Å; F308-N311 HydrophobicContact CE1-CB 4.46Å; F308-N311 VanDerWaalsContact CZ-C 3.43Å; F308-N311 HydrophobicContact CZ-CB 4.3Å; F309-N311 PolarHBondContact O-N 3.09Å; N311-R450 HydrophobicContact CB-CG 4.43Å; N311-R450 PolarHBondContact ND2-NE 3Å; N311-R450 VanDerWaalsContact ND2-NE 3.18Å; N311-R450 WeakPolarHBondContact OD1-CG 3.44Å |
| 312 | E | 89.7 | Confident | 91.3 | Very high | 30 Ų | 30 | 29.7 Ų | 29.7 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 151.4 | 175.7 | -64.8 | -178.3 | 174.3 | 0 | 0 | 111.3 | F308 F309 F314 R323 | F308-E312 CarbonylContact C-O 3.59Å; F308-E312 WeakPolarHBondContact CA-O 3.31Å; F308-E312 WeakPolarHBondContact CD2-O 3.46Å; F309-E312 PolarHBondContact N-O 3.37Å; F309-E312 PolarHBondContact O-N 3.26Å; E312-F314 HydrophobicContact CB-CD2 4.4Å; E312-F314 HydrophobicContact CB-CE2 3.91Å; E312-R323 IonicContact OE1-NH2 2.97Å; E312-R323 IonicContact OE2-CZ 3.3Å; E312-R323 IonicContact OE2-NE 3.87Å; E312-R323 PolarHBondContact OE2-NE 2.81Å; E312-R323 IonicContact OE2-NH2 2.79Å; E312-R323 PolarHBondContact OE2-NH2 3.46Å |
| 313 | L | 91.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 25.4 Ų | 25.4 | 3% | 0.031 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 127 | 177.3 | -162.2 | 77 | 0 | 0 | 0 | 109.7 | V306 F308 V315 R323 L324 F447 W485 M486 | V306-L313 HydrophobicContact CG1-CD1 3.53Å; V306-L313 HydrophobicContact CG1-CD2 3.91Å; V306-L313 HydrophobicContact CG1-CG 3.66Å; F308-L313 HydrophobicContact CD2-CB 4.49Å; F308-L313 HydrophobicContact CD2-CD1 4.06Å; L313-V315 HydrophobicContact CD2-CG2 4.14Å; L313-V315 HydrophobicContact CG-CG2 4.39Å; L313-R323 WeakPolarHBondContact O-CA 3.45Å; L313-L324 HydrophobicContact CB-CB 4.24Å; L313-L324 PolarHBondContact N-O 2.86Å; L313-L324 PolarHBondContact O-N 2.83Å; L313-F447 HydrophobicContact CD1-CD1 4.3Å; L313-F447 HydrophobicContact CD1-CD2 3.98Å; L313-F447 HydrophobicContact CD1-CE1 4.04Å; L313-F447 HydrophobicContact CD1-CE2 3.69Å; L313-F447 HydrophobicContact CD1-CG 4.28Å; L313-F447 HydrophobicContact CD1-CZ 3.73Å; L313-W485 HydrophobicContact CD2-CB 4.38Å; L313-W485 HydrophobicContact CD2-CE3 3.95Å; L313-M486 HydrophobicContact CD2-CE 3.84Å |
| 314 | F | 93.6 | Very high | 91.4 | Very high | 7 Ų | 7 | 25.6 Ų | 25.6 | 3% | 0.031 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 122.3 | 175.6 | -73.8 | -108.5 | 0 | 0 | 0 | 109 | V306 A307 F309 E312 F316 L321 W322 R323 F340 W341 | V306-F314 WeakPolarHBondContact CA-O 3.37Å; A307-F314 PolarHBondContact N-O 2.86Å; A307-F314 PolarHBondContact O-N 2.84Å; F309-F314 HydrophobicContact CB-CD2 3.94Å; F309-F314 HydrophobicContact CB-CE2 3.82Å; F309-F314 HydrophobicContact CD2-CB 4.04Å; F309-F314 HydrophobicContact CD2-CD1 4.3Å; F309-F314 AromaticContact CD2-CD2 3.59Å; F309-F314 HydrophobicContact CD2-CD2 3.59Å; F309-F314 HydrophobicContact CD2-CE2 4.05Å; F309-F314 AromaticContact CD2-CG 3.73Å; F309-F314 HydrophobicContact CD2-CG 3.73Å; F309-F314 HydrophobicContact CE2-CB 4.28Å; F309-F314 HydrophobicContact CE2-CG 4.36Å; F309-F314 HydrophobicContact CG-CD2 4.19Å; F309-F314 HydrophobicContact CG-CE2 4.44Å; E312-F314 HydrophobicContact CB-CD2 4.4Å; E312-F314 HydrophobicContact CB-CE2 3.91Å; F314-F316 HydrophobicContact CB-CE2 3.65Å; F314-F316 HydrophobicContact CB-CZ 4.04Å; F314-L321 HydrophobicContact CB-CD1 4.09Å; F314-L321 HydrophobicContact CD1-CD1 3.83Å; F314-L321 HydrophobicContact CD1-CD2 4.17Å; F314-L321 HydrophobicContact CD1-CG 4.44Å; F314-L321 HydrophobicContact CG-CD1 4.45Å; F314-W322 WeakPolarHBondContact CA-O 3.4Å; F314-R323 HydrophobicContact CD1-CG 3.62Å; F314-R323 VanDerWaalsContact CE1-CD 3.49Å; F314-R323 HydrophobicContact CE1-CG 3.31Å; F314-R323 HydrophobicContact CE2-CG 4.24Å; F314-R323 HydrophobicContact CG-CG 4.24Å; F314-R323 HydrophobicContact CZ-CG 3.65Å; F314-F340 AromaticContact CE1-CE1 3.96Å; F314-F340 HydrophobicContact CE1-CE1 3.96Å; F314-F340 HydrophobicContact CE1-CZ 4.01Å; F314-F340 HydrophobicContact CZ-CZ 4.46Å; F314-W341 AromaticContact CD1-CH2 3.36Å; F314-W341 HydrophobicContact CD1-CH2 3.36Å; F314-W341 HydrophobicContact CD1-CZ2 4.46Å; F314-W341 AromaticContact CD1-CZ3 3.84Å; F314-W341 HydrophobicContact CD1-CZ3 3.84Å; F314-W341 AromaticContact CE1-CH2 3.45Å; F314-W341 HydrophobicContact CE1-CH2 3.45Å; F314-W341 VanDerWaalsContact CE1-CH2 3.45Å; F314-W341 HydrophobicContact CE1-CZ2 4.22Å; F314-W341 HydrophobicContact CE1-CZ3 4.15Å; F314-W341 HydrophobicContact CG-CH2 4.19Å; F314-W341 HydrophobicContact CZ-CH2 4.36Å |
| 315 | V | 94.6 | Very high | 91 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.7 | -176.6 | 179.6 | 0 | 0 | 0 | 0 | 108.6 | F303 V306 L313 L321 W322 L324 M486 | F303-V315 HydrophobicContact CB-CG1 4.01Å; F303-V315 HydrophobicContact CD1-CG1 3.28Å; F303-V315 HydrophobicContact CD2-CG1 3.79Å; F303-V315 HydrophobicContact CE1-CG1 3.57Å; F303-V315 HydrophobicContact CE2-CG1 4.05Å; F303-V315 HydrophobicContact CG-CG1 3.4Å; F303-V315 HydrophobicContact CZ-CG1 3.93Å; V306-V315 HydrophobicContact CG1-CG2 4.23Å; V306-V315 HydrophobicContact CG2-CG1 4.38Å; V306-V315 HydrophobicContact CG2-CG2 4.37Å; L313-V315 HydrophobicContact CD2-CG2 4.14Å; L313-V315 HydrophobicContact CG-CG2 4.39Å; V315-L321 CarbonylContact O-C 3.35Å; V315-L321 WeakPolarHBondContact O-CA 3.3Å; V315-W322 HydrophobicContact CB-CB 4.32Å; V315-W322 HydrophobicContact CB-CE3 4.34Å; V315-W322 HydrophobicContact CG1-CE3 4.18Å; V315-W322 PolarHBondContact N-O 2.68Å; V315-W322 PolarHBondContact O-N 3.43Å; V315-L324 HydrophobicContact CB-CD1 4.35Å; V315-L324 HydrophobicContact CG2-CD1 3.61Å; V315-M486 HydrophobicContact CG2-CE 3.55Å; V315-M486 HydrophobicContact CG2-SD 3.83Å |
| 316 | F | 94.4 | Very high | 90.4 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 124.4 | -176.2 | -61 | -97.2 | 0 | 0 | 0 | 109.8 | F303 N304 T305 A307 F309 F314 L321 I337 W341 I348 F361 | F303-F316 CarbonylContact C-O 3.5Å; N304-F316 PolarHBondContact N-O 3.09Å; T305-F316 HydrophobicContact CG2-CB 4.05Å; T305-F316 HydrophobicContact CG2-CD2 3.74Å; T305-F316 HydrophobicContact CG2-CG 4.11Å; T305-F316 PolarHBondContact N-O 3.2Å; T305-F316 PolarHBondContact O-N 3.26Å; A307-F316 HydrophobicContact CB-CE2 4.28Å; F309-F316 HydrophobicContact CE2-CE2 4.34Å; F309-F316 HydrophobicContact CE2-CZ 4.22Å; F314-F316 HydrophobicContact CB-CE2 3.65Å; F314-F316 HydrophobicContact CB-CZ 4.04Å; F316-L321 HydrophobicContact CD1-CD1 3.81Å; F316-L321 HydrophobicContact CD2-CD1 4.34Å; F316-L321 HydrophobicContact CE1-CD1 3.6Å; F316-L321 HydrophobicContact CE2-CD1 4.14Å; F316-L321 HydrophobicContact CG-CD1 4.19Å; F316-L321 HydrophobicContact CZ-CD1 3.77Å; F316-I337 HydrophobicContact CD1-CD1 3.78Å; F316-I337 HydrophobicContact CD1-CG1 4.01Å; F316-W341 AromaticContact CE1-CE3 3.93Å; F316-W341 HydrophobicContact CE1-CE3 3.93Å; F316-W341 HydrophobicContact CE1-CH2 4.45Å; F316-W341 AromaticContact CE1-CZ3 3.51Å; F316-W341 HydrophobicContact CE1-CZ3 3.51Å; F316-W341 HydrophobicContact CZ-CE3 4.21Å; F316-W341 AromaticContact CZ-CH2 3.93Å; F316-W341 HydrophobicContact CZ-CH2 3.93Å; F316-W341 AromaticContact CZ-CZ3 3.41Å; F316-W341 HydrophobicContact CZ-CZ3 3.41Å; F316-W341 VanDerWaalsContact CZ-CZ3 3.41Å; F316-I348 HydrophobicContact CB-CD1 4.24Å; F316-I348 HydrophobicContact CB-CG1 4.09Å; F316-I348 HydrophobicContact CD1-CD1 3.47Å; F316-I348 VanDerWaalsContact CD1-CD1 3.47Å; F316-I348 HydrophobicContact CD1-CG1 3.95Å; F316-I348 HydrophobicContact CD2-CD1 3.86Å; F316-I348 HydrophobicContact CE1-CD1 3.62Å; F316-I348 HydrophobicContact CE2-CD1 4.01Å; F316-I348 HydrophobicContact CG-CD1 3.59Å; F316-I348 HydrophobicContact CG-CG1 3.98Å; F316-I348 HydrophobicContact CZ-CD1 3.9Å; F316-F361 HydrophobicContact CE1-CE1 4.22Å; F316-F361 AromaticContact CZ-CE1 3.78Å; F316-F361 HydrophobicContact CZ-CE1 3.78Å |
| 317 | K | 92.8 | Very high | 89.8 | Confident | 23 Ų | 23 | 39.9 Ų | 39.9 | 10% | 0.1 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 113 | 175 | -170.1 | 179 | 170.9 | 171.5 | 0 | 110.8 | P296 D300 G301 F303 R319 W320 W322 | P296-K317 HydrophobicContact CB-CD 4.44Å; D300-K317 IonicContact OD2-NZ 2.7Å; G301-K317 VanDerWaalsContact O-CE 3.3Å; G301-K317 WeakPolarHBondContact O-CE 3.31Å; G301-K317 PolarHBondContact O-NZ 2.93Å; F303-K317 HydrophobicContact CD1-CB 4.27Å; F303-K317 HydrophobicContact CD1-CD 4.28Å; K317-R319 PolarHBondContact O-N 3.42Å; K317-W320 PolarHBondContact N-O 2.95Å; K317-W320 WeakPolarHBondContact O-CA 3.14Å; K317-W320 WeakPolarHBondContact O-CB 3.39Å; K317-W320 PolarHBondContact O-N 2.79Å; K317-W322 HydrophobicContact CB-CH2 3.87Å; K317-W322 HydrophobicContact CB-CZ3 3.48Å; K317-W322 VanDerWaalsContact CB-CZ3 3.48Å; K317-W322 HydrophobicContact CD-CH2 4.15Å; K317-W322 HydrophobicContact CD-CZ3 4.49Å |
| 318 | D | 89.8 | Confident | 89.3 | Confident | 79 Ų | 79 | 45.1 Ų | 45.1 | 42% | 0.422 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | -127.8 | -169 | -53.3 | -52 | 0 | 0 | 0 | 108.3 | N304 W320 I337 P346 | N304-D318 VanDerWaalsContact OD1-CA 3.3Å; N304-D318 WeakPolarHBondContact OD1-CA 3.32Å; N304-D318 PolarHBondContact OD1-N 3.41Å; D318-W320 PolarHBondContact O-N 2.87Å; D318-I337 WeakPolarHBondContact O-CD1 3.43Å; D318-P346 CarbonylContact C-O 3.39Å; D318-P346 CarbonylContact O-C 3.58Å |
| 319 | R | 88.6 | Confident | 89.1 | Confident | 81 Ų | 81 | 45.8 Ų | 45.8 | 31% | 0.306 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -2.5 | 179.7 | 71.5 | -172 | -65.9 | -172.3 | -2.6 | 114.4 | K317 E336 I337 P346 | K317-R319 PolarHBondContact O-N 3.42Å; R319-E336 VanDerWaalsContact CZ-CD 3.45Å; R319-E336 IonicContact CZ-OE1 3.86Å; R319-E336 IonicContact CZ-OE2 2.89Å; R319-E336 VanDerWaalsContact CZ-OE2 3.32Å; R319-E336 IonicContact NE-OE1 3.91Å; R319-E336 PolarHBondContact NE-OE1 3.43Å; R319-E336 IonicContact NE-OE2 3.34Å; R319-E336 PolarHBondContact NE-OE2 3.03Å; R319-E336 IonicContact NH1-OE1 3.91Å; R319-E336 IonicContact NH2-OE1 2.66Å; R319-E336 PolarHBondContact NH2-OE1 2.79Å; R319-E336 IonicContact NH2-OE2 3.82Å; R319-E336 PolarHBondContact NH2-OE2 2.86Å; R319-E336 CarbonylContact O-C 3.5Å; R319-E336 VanDerWaalsContact O-CA 3.22Å; R319-E336 WeakPolarHBondContact O-CA 3.06Å; R319-I337 PolarHBondContact O-N 3.32Å; R319-P346 WeakPolarHBondContact CA-O 3.37Å; R319-P346 HydrophobicContact CB-CB 3.78Å; R319-P346 PolarHBondContact N-O 2.85Å |
| 320 | W | 90.4 | Very high | 88.7 | Confident | 45 Ų | 45 | 48.3 Ų | 48.3 | 17% | 0.17 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 146.4 | -170.8 | -57.9 | 96.6 | 0 | 0 | 0 | 111.8 | K295 P296 K317 D318 W322 P334 I335 E336 | K295-W320 HydrophobicContact CD-CZ3 4.45Å; K295-W320 HydrophobicContact CG-CH2 3.74Å; K295-W320 HydrophobicContact CG-CZ2 4.24Å; K295-W320 HydrophobicContact CG-CZ3 4.04Å; P296-W320 VanDerWaalsContact CD-CE2 3.47Å; P296-W320 HydrophobicContact CG-CB 3.89Å; P296-W320 HydrophobicContact CG-CD2 4.13Å; P296-W320 HydrophobicContact CG-CG 3.5Å; P296-W320 VanDerWaalsContact CG-CG 3.5Å; K317-W320 PolarHBondContact N-O 2.95Å; K317-W320 WeakPolarHBondContact O-CA 3.14Å; K317-W320 WeakPolarHBondContact O-CB 3.39Å; K317-W320 PolarHBondContact O-N 2.79Å; D318-W320 PolarHBondContact O-N 2.87Å; W320-W322 HydrophobicContact CB-CH2 3.97Å; W320-W322 HydrophobicContact CB-CZ3 4.03Å; W320-P334 HydrophobicContact CB-CB 4.21Å; W320-P334 HydrophobicContact CD2-CB 4.45Å; W320-P334 HydrophobicContact CE3-CB 3.9Å; W320-P334 HydrophobicContact CE3-CG 4.23Å; W320-I335 CarbonylContact C-O 3.56Å; W320-I335 WeakPolarHBondContact CA-O 3.37Å; W320-E336 HydrophobicContact CE3-CG 4.23Å; W320-E336 HydrophobicContact CH2-CG 4.34Å; W320-E336 HydrophobicContact CZ3-CG 3.98Å |
| 321 | L | 93.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 143.5 | 177.2 | 173 | 66.2 | 0 | 0 | 0 | 109.1 | F314 V315 F316 Y333 P334 I335 I337 F340 W341 | F314-L321 HydrophobicContact CB-CD1 4.09Å; F314-L321 HydrophobicContact CD1-CD1 3.83Å; F314-L321 HydrophobicContact CD1-CD2 4.17Å; F314-L321 HydrophobicContact CD1-CG 4.44Å; F314-L321 HydrophobicContact CG-CD1 4.45Å; V315-L321 CarbonylContact O-C 3.35Å; V315-L321 WeakPolarHBondContact O-CA 3.3Å; F316-L321 HydrophobicContact CD1-CD1 3.81Å; F316-L321 HydrophobicContact CD2-CD1 4.34Å; F316-L321 HydrophobicContact CE1-CD1 3.6Å; F316-L321 HydrophobicContact CE2-CD1 4.14Å; F316-L321 HydrophobicContact CG-CD1 4.19Å; F316-L321 HydrophobicContact CZ-CD1 3.77Å; L321-Y333 HydrophobicContact CD2-CE1 4.46Å; L321-Y333 HydrophobicContact CG-CE1 4.38Å; L321-Y333 WeakPolarHBondContact O-CD1 3.47Å; L321-P334 VanDerWaalsContact O-CA 3.31Å; L321-P334 WeakPolarHBondContact O-CA 3.3Å; L321-I335 HydrophobicContact CB-CG1 4.43Å; L321-I335 PolarHBondContact N-O 2.83Å; L321-I335 PolarHBondContact O-N 2.67Å; L321-I337 HydrophobicContact CB-CG1 4.16Å; L321-F340 HydrophobicContact CD2-CB 3.95Å; L321-F340 HydrophobicContact CD2-CD1 4.11Å; L321-F340 HydrophobicContact CD2-CD2 4.49Å; L321-F340 HydrophobicContact CD2-CG 3.92Å; L321-W341 HydrophobicContact CD1-CZ3 4.21Å; L321-W341 HydrophobicContact CD2-CE3 4.13Å; L321-W341 HydrophobicContact CD2-CZ3 3.6Å |
| 322 | W | 93.9 | Very high | 87.7 | Confident | 5 Ų | 5 | 49 Ų | 49 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 144.4 | 162.3 | -62 | -102.4 | 0 | 0 | 0 | 109.8 | P296 I298 F314 V315 K317 W320 L324 P334 | P296-W322 HydrophobicContact CB-CH2 4.02Å; P296-W322 HydrophobicContact CB-CZ2 4.19Å; P296-W322 HydrophobicContact CG-CH2 3.49Å; P296-W322 VanDerWaalsContact CG-CH2 3.49Å; P296-W322 HydrophobicContact CG-CZ2 3.74Å; P296-W322 WeakPolarHBondContact O-CZ2 3.42Å; I298-W322 HydrophobicContact CB-CD2 4.41Å; I298-W322 HydrophobicContact CB-CZ2 4.42Å; I298-W322 HydrophobicContact CD1-CB 4.03Å; I298-W322 HydrophobicContact CD1-CD2 4.31Å; I298-W322 HydrophobicContact CD1-CG 3.83Å; I298-W322 HydrophobicContact CG1-CD2 4.24Å; I298-W322 HydrophobicContact CG1-CG 4.26Å; F314-W322 WeakPolarHBondContact CA-O 3.4Å; V315-W322 HydrophobicContact CB-CB 4.32Å; V315-W322 HydrophobicContact CB-CE3 4.34Å; V315-W322 HydrophobicContact CG1-CE3 4.18Å; V315-W322 PolarHBondContact N-O 2.68Å; V315-W322 PolarHBondContact O-N 3.43Å; K317-W322 HydrophobicContact CB-CH2 3.87Å; K317-W322 HydrophobicContact CB-CZ3 3.48Å; K317-W322 VanDerWaalsContact CB-CZ3 3.48Å; K317-W322 HydrophobicContact CD-CH2 4.15Å; K317-W322 HydrophobicContact CD-CZ3 4.49Å; W320-W322 HydrophobicContact CB-CH2 3.97Å; W320-W322 HydrophobicContact CB-CZ3 4.03Å; W322-L324 HydrophobicContact CB-CD1 3.91Å; W322-P334 HydrophobicContact CD2-CB 4.06Å; W322-P334 HydrophobicContact CG-CB 4.41Å; W322-P334 HydrophobicContact CH2-CB 4.45Å; W322-P334 HydrophobicContact CZ2-CB 3.78Å; W322-P334 HydrophobicContact CZ2-CG 3.97Å |
| 323 | R | 92.1 | Very high | 87.5 | Confident | 13 Ų | 13 | 49.3 Ų | 49.3 | 5% | 0.049 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 134.9 | 164.2 | -76.8 | 173.9 | 76.9 | -177.2 | -7.9 | 109.5 | G149 E312 L313 F314 L330 Y333 | G149-R323 PolarHBondContact O-NH2 3.29Å; G149-R323 VanDerWaalsContact O-NH2 3.08Å; E312-R323 IonicContact OE1-NH2 2.97Å; E312-R323 IonicContact OE2-CZ 3.3Å; E312-R323 IonicContact OE2-NE 3.87Å; E312-R323 PolarHBondContact OE2-NE 2.81Å; E312-R323 IonicContact OE2-NH2 2.79Å; E312-R323 PolarHBondContact OE2-NH2 3.46Å; L313-R323 WeakPolarHBondContact O-CA 3.45Å; F314-R323 HydrophobicContact CD1-CG 3.62Å; F314-R323 VanDerWaalsContact CE1-CD 3.49Å; F314-R323 HydrophobicContact CE1-CG 3.31Å; F314-R323 HydrophobicContact CE2-CG 4.24Å; F314-R323 HydrophobicContact CG-CG 4.24Å; F314-R323 HydrophobicContact CZ-CG 3.65Å; R323-L330 HydrophobicContact CB-CB 4.49Å; R323-L330 HydrophobicContact CB-CD1 3.74Å; R323-L330 HydrophobicContact CB-CG 4.23Å; R323-L330 PolarHBondContact O-N 2.92Å; R323-Y333 HydrophobicContact CB-CD1 4.49Å; R323-Y333 HydrophobicContact CB-CD2 4.41Å; R323-Y333 HydrophobicContact CB-CE1 4.05Å; R323-Y333 HydrophobicContact CB-CE2 4.01Å; R323-Y333 VanDerWaalsContact CD-CZ 3.44Å; R323-Y333 WeakPolarHBondContact CD-OH 3.3Å; R323-Y333 HydrophobicContact CG-CE1 3.85Å; R323-Y333 HydrophobicContact CG-CE2 4.38Å |
| 324 | L | 90.4 | Very high | 87.4 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 135.6 | 176.9 | -60.3 | 81.7 | 0 | 0 | 0 | 110.1 | I298 L313 V315 W322 N328 V329 W485 M486 | I298-L324 HydrophobicContact CD1-CD1 3.93Å; I298-L324 HydrophobicContact CD1-CD2 3.99Å; I298-L324 HydrophobicContact CD1-CG 4.34Å; L313-L324 HydrophobicContact CB-CB 4.24Å; L313-L324 PolarHBondContact N-O 2.86Å; L313-L324 PolarHBondContact O-N 2.83Å; V315-L324 HydrophobicContact CB-CD1 4.35Å; V315-L324 HydrophobicContact CG2-CD1 3.61Å; W322-L324 HydrophobicContact CB-CD1 3.91Å; L324-N328 WeakPolarHBondContact CA-O 3.36Å; L324-V329 HydrophobicContact CD2-CG2 4.09Å; L324-V329 HydrophobicContact CG-CG2 4.07Å; L324-W485 VanDerWaalsContact CD2-O 3.31Å; L324-W485 WeakPolarHBondContact CD2-O 3.31Å; L324-M486 HydrophobicContact CD1-SD 4.31Å; L324-M486 HydrophobicContact CD2-SD 3.63Å |
| 325 | K | 86.1 | Confident | 87 | Confident | 111 Ų | 111 | 50.5 Ų | 50.5 | 48% | 0.483 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 126.7 | 173.1 | -170.5 | 175.3 | -179.2 | 179.7 | 0 | 107.7 | N327 N328 L330 | K325-N327 VanDerWaalsContact C-N 3.27Å; K325-N327 PolarHBondContact O-N 2.68Å; K325-N328 PolarHBondContact N-O 3.27Å; K325-N328 PolarHBondContact O-N 3.06Å; K325-L330 HydrophobicContact CB-CD2 4Å |
| 326 | N | 81.2 | Confident | 86.6 | Confident | 140 Ų | 140 | 52.6 Ų | 52.6 | 75% | 0.749 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 44.7 | -176.2 | -56 | -23.8 | 0 | 0 | 0 | 113.1 | N328 | N326-N328 PolarHBondContact O-N 3.37Š|
| 327 | N | 81.5 | Confident | 86.1 | Confident | 68 Ų | 68 | 52.6 Ų | 52.6 | 36% | 0.364 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63 | 13.3 | -178.5 | -56.5 | -13.8 | 0 | 0 | 0 | 115.9 | K325 D484 W485 | K325-N327 VanDerWaalsContact C-N 3.27Å; K325-N327 PolarHBondContact O-N 2.68Å; N327-D484 PolarHBondContact ND2-O 3.37Å; N327-W485 WeakPolarHBondContact CA-O 3.37Å |
| 328 | N | 81.4 | Confident | 85.5 | Confident | 111 Ų | 111 | 55.6 Ų | 55.6 | 59% | 0.594 | 29% | 0.288 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 133 | 173.5 | -67.5 | -50.9 | 0 | 0 | 0 | 110.4 | L324 K325 N326 L330 | L324-N328 WeakPolarHBondContact CA-O 3.36Å; K325-N328 PolarHBondContact N-O 3.27Å; K325-N328 PolarHBondContact O-N 3.06Å; N326-N328 PolarHBondContact O-N 3.37Å; N328-L330 PolarHBondContact O-N 3.12Å |
| 329 | V | 86.6 | Confident | 84.9 | Confident | 55 Ų | 55 | 58.2 Ų | 58.2 | 33% | 0.333 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 126.5 | 172 | -179.2 | 0 | 0 | 0 | 0 | 108.9 | I298 L324 | I298-V329 HydrophobicContact CD1-CG2 3.54Å; I298-V329 HydrophobicContact CG2-CG2 4.22Å; L324-V329 HydrophobicContact CD2-CG2 4.09Å; L324-V329 HydrophobicContact CG-CG2 4.07Å |
| 330 | L | 82 | Confident | 84.6 | Confident | 54 Ų | 54 | 54.9 Ų | 54.9 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -65.7 | 149 | 176.5 | -65.2 | -177.3 | 0 | 0 | 0 | 111.1 | R323 K325 N328 Y333 | R323-L330 HydrophobicContact CB-CB 4.49Å; R323-L330 HydrophobicContact CB-CD1 3.74Å; R323-L330 HydrophobicContact CB-CG 4.23Å; R323-L330 PolarHBondContact O-N 2.92Å; K325-L330 HydrophobicContact CB-CD2 4Å; N328-L330 PolarHBondContact O-N 3.12Å; L330-Y333 HydrophobicContact CB-CD2 3.8Å; L330-Y333 HydrophobicContact CB-CE2 4Å; L330-Y333 WeakPolarHBondContact O-CD2 3.23Å; L330-Y333 PolarHBondContact O-N 3.47Å |
| 331 | E | 75.9 | Confident | 84.4 | Confident | 140 Ų | 140 | 52.8 Ų | 52.8 | 65% | 0.654 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | 143.9 | 177.9 | -167.7 | 168.9 | -177.8 | 0 | 0 | 111 | ||
| 332 | G | 73.3 | Confident | 83.8 | Confident | 56 Ų | 56 | 58 Ų | 58 | 58% | 0.577 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | -9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | I335 | G332-I335 VanDerWaalsContact O-CG2 3.25Å; G332-I335 WeakPolarHBondContact O-CG2 3.11Å |
| 333 | Y | 84.7 | Confident | 83.3 | Confident | 38 Ų | 38 | 60.2 Ų | 60.2 | 15% | 0.149 | 32% | 0.324 | C | S | . | . | trans | -90.4 | 149.7 | 175.9 | -69.7 | -91.5 | 0 | 0 | 0 | 112.4 | L321 R323 L330 I335 | L321-Y333 HydrophobicContact CD2-CE1 4.46Å; L321-Y333 HydrophobicContact CG-CE1 4.38Å; L321-Y333 WeakPolarHBondContact O-CD1 3.47Å; R323-Y333 HydrophobicContact CB-CD1 4.49Å; R323-Y333 HydrophobicContact CB-CD2 4.41Å; R323-Y333 HydrophobicContact CB-CE1 4.05Å; R323-Y333 HydrophobicContact CB-CE2 4.01Å; R323-Y333 VanDerWaalsContact CD-CZ 3.44Å; R323-Y333 WeakPolarHBondContact CD-OH 3.3Å; R323-Y333 HydrophobicContact CG-CE1 3.85Å; R323-Y333 HydrophobicContact CG-CE2 4.38Å; L330-Y333 HydrophobicContact CB-CD2 3.8Å; L330-Y333 HydrophobicContact CB-CE2 4Å; L330-Y333 WeakPolarHBondContact O-CD2 3.23Å; L330-Y333 PolarHBondContact O-N 3.47Å; Y333-I335 HydrophobicContact CD1-CD1 4.28Å; Y333-I335 HydrophobicContact CD1-CG1 3.88Å; Y333-I335 HydrophobicContact CD1-CG2 4.4Å; Y333-I335 HydrophobicContact CE1-CD1 3.51Å; Y333-I335 HydrophobicContact CE1-CG1 3.58Å | ||
| 334 | P | 88.2 | Confident | 83.2 | Confident | 14 Ų | 14 | 59.8 Ų | 59.8 | 9% | 0.091 | 32% | 0.323 | C | S | . | . | S | Bend | cis | -77.6 | 148.2 | 2.4 | 28.5 | -31.5 | 0 | 0 | 0 | 114 | K295 W320 L321 W322 | K295-P334 HydrophobicContact CB-CG 4.1Å; K295-P334 HydrophobicContact CD-CG 4.27Å; W320-P334 HydrophobicContact CB-CB 4.21Å; W320-P334 HydrophobicContact CD2-CB 4.45Å; W320-P334 HydrophobicContact CE3-CB 3.9Å; W320-P334 HydrophobicContact CE3-CG 4.23Å; L321-P334 VanDerWaalsContact O-CA 3.31Å; L321-P334 WeakPolarHBondContact O-CA 3.3Å; W322-P334 HydrophobicContact CD2-CB 4.06Å; W322-P334 HydrophobicContact CG-CB 4.41Å; W322-P334 HydrophobicContact CH2-CB 4.45Å; W322-P334 HydrophobicContact CZ2-CB 3.78Å; W322-P334 HydrophobicContact CZ2-CG 3.97Å |
| 335 | I | 86.6 | Confident | 83.2 | Confident | 24 Ų | 24 | 60.9 Ų | 60.9 | 12% | 0.123 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 167.4 | 169.7 | 66.9 | 177.9 | 0 | 0 | 0 | 109.9 | W320 L321 G332 Y333 F340 | W320-I335 CarbonylContact C-O 3.56Å; W320-I335 WeakPolarHBondContact CA-O 3.37Å; L321-I335 HydrophobicContact CB-CG1 4.43Å; L321-I335 PolarHBondContact N-O 2.83Å; L321-I335 PolarHBondContact O-N 2.67Å; G332-I335 VanDerWaalsContact O-CG2 3.25Å; G332-I335 WeakPolarHBondContact O-CG2 3.11Å; Y333-I335 HydrophobicContact CD1-CD1 4.28Å; Y333-I335 HydrophobicContact CD1-CG1 3.88Å; Y333-I335 HydrophobicContact CD1-CG2 4.4Å; Y333-I335 HydrophobicContact CE1-CD1 3.51Å; Y333-I335 HydrophobicContact CE1-CG1 3.58Å; I335-F340 HydrophobicContact CD1-CB 3.91Å; I335-F340 HydrophobicContact CD1-CD2 3.82Å; I335-F340 HydrophobicContact CD1-CG 4.27Å |
| 336 | E | 85.2 | Confident | 83 | Confident | 44 Ų | 44 | 59.4 Ų | 59.4 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 143.8 | 176.5 | -62.3 | -168.5 | -171.1 | 0 | 0 | 112.2 | R319 W320 D338 Q339 F340 | R319-E336 VanDerWaalsContact CZ-CD 3.45Å; R319-E336 IonicContact CZ-OE1 3.86Å; R319-E336 IonicContact CZ-OE2 2.89Å; R319-E336 VanDerWaalsContact CZ-OE2 3.32Å; R319-E336 IonicContact NE-OE1 3.91Å; R319-E336 PolarHBondContact NE-OE1 3.43Å; R319-E336 IonicContact NE-OE2 3.34Å; R319-E336 PolarHBondContact NE-OE2 3.03Å; R319-E336 IonicContact NH1-OE1 3.91Å; R319-E336 IonicContact NH2-OE1 2.66Å; R319-E336 PolarHBondContact NH2-OE1 2.79Å; R319-E336 IonicContact NH2-OE2 3.82Å; R319-E336 PolarHBondContact NH2-OE2 2.86Å; R319-E336 CarbonylContact O-C 3.5Å; R319-E336 VanDerWaalsContact O-CA 3.22Å; R319-E336 WeakPolarHBondContact O-CA 3.06Å; W320-E336 HydrophobicContact CE3-CG 4.23Å; W320-E336 HydrophobicContact CH2-CG 4.34Å; W320-E336 HydrophobicContact CZ3-CG 3.98Å; E336-D338 VanDerWaalsContact C-N 3.32Å; E336-D338 PolarHBondContact O-N 2.04Å; E336-Q339 HydrophobicContact CB-CB 4.28Å; E336-Q339 VanDerWaalsContact O-CB 3.25Å; E336-Q339 WeakPolarHBondContact O-CB 3.34Å; E336-Q339 PolarHBondContact O-N 2.95Å; E336-F340 PolarHBondContact O-N 2.88Å |
| 337 | I | 85.1 | Confident | 83.5 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56 | -46.2 | 179.3 | -68 | 171.3 | 0 | 0 | 0 | 111.1 | F316 D318 R319 L321 Q339 F340 W341 L344 | F316-I337 HydrophobicContact CD1-CD1 3.78Å; F316-I337 HydrophobicContact CD1-CG1 4.01Å; D318-I337 WeakPolarHBondContact O-CD1 3.43Å; R319-I337 PolarHBondContact O-N 3.32Å; L321-I337 HydrophobicContact CB-CG1 4.16Å; I337-Q339 PolarHBondContact O-N 3.02Å; I337-F340 PolarHBondContact O-N 2.93Å; I337-W341 PolarHBondContact O-N 2.95Å; I337-L344 HydrophobicContact CG2-CB 4.08Å; I337-L344 HydrophobicContact CG2-CD2 3.65Å; I337-L344 HydrophobicContact CG2-CG 4.03Å |
| 338 | D | 78.7 | Confident | 84.2 | Confident | 86 Ų | 86 | 55.6 Ų | 55.6 | 46% | 0.46 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -69 | -17.6 | -179.7 | -173.6 | 48.1 | 0 | 0 | 0 | 113.1 | E336 G343 | E336-D338 VanDerWaalsContact C-N 3.32Å; E336-D338 PolarHBondContact O-N 2.04Å; D338-G343 PolarHBondContact OD1-N 2.87Å |
| 339 | Q | 78.2 | Confident | 84.8 | Confident | 134 Ų | 134 | 52.1 Ų | 52.1 | 63% | 0.626 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -72.6 | -34.9 | 171.2 | -173.6 | 179.9 | -7 | 0 | 0 | 111.2 | E336 I337 | E336-Q339 HydrophobicContact CB-CB 4.28Å; E336-Q339 VanDerWaalsContact O-CB 3.25Å; E336-Q339 WeakPolarHBondContact O-CB 3.34Å; E336-Q339 PolarHBondContact O-N 2.95Å; I337-Q339 PolarHBondContact O-N 3.02Å |
| 340 | F | 82.4 | Confident | 85.3 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 5% | 0.048 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -91.3 | -53.8 | -178.9 | -165 | -88.5 | 0 | 0 | 0 | 112.1 | F147 F314 L321 I335 E336 I337 V373 | F147-F340 HydrophobicContact CE2-CZ 4.43Å; F314-F340 AromaticContact CE1-CE1 3.96Å; F314-F340 HydrophobicContact CE1-CE1 3.96Å; F314-F340 HydrophobicContact CE1-CZ 4.01Å; F314-F340 HydrophobicContact CZ-CZ 4.46Å; L321-F340 HydrophobicContact CD2-CB 3.95Å; L321-F340 HydrophobicContact CD2-CD1 4.11Å; L321-F340 HydrophobicContact CD2-CD2 4.49Å; L321-F340 HydrophobicContact CD2-CG 3.92Å; I335-F340 HydrophobicContact CD1-CB 3.91Å; I335-F340 HydrophobicContact CD1-CD2 3.82Å; I335-F340 HydrophobicContact CD1-CG 4.27Å; E336-F340 PolarHBondContact O-N 2.88Å; I337-F340 PolarHBondContact O-N 2.93Å; F340-V373 HydrophobicContact CD1-CG1 4.01Å; F340-V373 HydrophobicContact CE1-CG1 3.65Å; F340-V373 HydrophobicContact CZ-CG1 4.03Å; F340-V373 WeakPolarHBondContact O-CB 3.27Å |
| 341 | W | 86.5 | Confident | 86 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 26% | 0.255 | C | S | . | . | S | Bend | trans | -108.5 | 90.4 | 175.8 | -77.2 | -66.6 | 0 | 0 | 0 | 110.7 | F309 F314 F316 L321 I337 G343 L344 F359 F361 F370 E372 | F309-W341 HydrophobicContact CD2-CH2 4.06Å; F309-W341 HydrophobicContact CD2-CZ2 4.32Å; F309-W341 AromaticContact CE2-CH2 3.98Å; F309-W341 HydrophobicContact CE2-CH2 3.98Å; F309-W341 HydrophobicContact CE2-CZ2 4.31Å; F314-W341 AromaticContact CD1-CH2 3.36Å; F314-W341 HydrophobicContact CD1-CH2 3.36Å; F314-W341 HydrophobicContact CD1-CZ2 4.46Å; F314-W341 AromaticContact CD1-CZ3 3.84Å; F314-W341 HydrophobicContact CD1-CZ3 3.84Å; F314-W341 AromaticContact CE1-CH2 3.45Å; F314-W341 HydrophobicContact CE1-CH2 3.45Å; F314-W341 VanDerWaalsContact CE1-CH2 3.45Å; F314-W341 HydrophobicContact CE1-CZ2 4.22Å; F314-W341 HydrophobicContact CE1-CZ3 4.15Å; F314-W341 HydrophobicContact CG-CH2 4.19Å; F314-W341 HydrophobicContact CZ-CH2 4.36Å; F316-W341 AromaticContact CE1-CE3 3.93Å; F316-W341 HydrophobicContact CE1-CE3 3.93Å; F316-W341 HydrophobicContact CE1-CH2 4.45Å; F316-W341 AromaticContact CE1-CZ3 3.51Å; F316-W341 HydrophobicContact CE1-CZ3 3.51Å; F316-W341 HydrophobicContact CZ-CE3 4.21Å; F316-W341 AromaticContact CZ-CH2 3.93Å; F316-W341 HydrophobicContact CZ-CH2 3.93Å; F316-W341 AromaticContact CZ-CZ3 3.41Å; F316-W341 HydrophobicContact CZ-CZ3 3.41Å; F316-W341 VanDerWaalsContact CZ-CZ3 3.41Å; L321-W341 HydrophobicContact CD1-CZ3 4.21Å; L321-W341 HydrophobicContact CD2-CE3 4.13Å; L321-W341 HydrophobicContact CD2-CZ3 3.6Å; I337-W341 PolarHBondContact O-N 2.95Å; W341-G343 PolarHBondContact O-N 2.88Å; W341-L344 HydrophobicContact CB-CB 3.7Å; W341-L344 HydrophobicContact CB-CD2 3.82Å; W341-L344 HydrophobicContact CB-CG 4.39Å; W341-L344 HydrophobicContact CD2-CD2 4.3Å; W341-L344 HydrophobicContact CE3-CD2 4.21Å; W341-L344 HydrophobicContact CG-CD2 4.18Å; W341-L344 VanDerWaalsContact O-CB 3.28Å; W341-L344 WeakPolarHBondContact O-CB 3.31Å; W341-L344 PolarHBondContact O-N 3.36Å; W341-F359 HydrophobicContact CZ2-CD2 4.01Å; W341-F359 HydrophobicContact CZ2-CE2 4.37Å; W341-F361 HydrophobicContact CD2-CE1 4.41Å; W341-F361 HydrophobicContact CD2-CE2 4.17Å; W341-F361 AromaticContact CD2-CZ 3.69Å; W341-F361 HydrophobicContact CD2-CZ 3.69Å; W341-F361 AromaticContact CE2-CE2 3.95Å; W341-F361 AromaticContact CE2-CZ 3.46Å; W341-F361 VanDerWaalsContact CE2-CZ 3.46Å; W341-F361 HydrophobicContact CE3-CE1 4.34Å; W341-F361 HydrophobicContact CE3-CZ 4.05Å; W341-F361 HydrophobicContact CG-CE2 4.32Å; W341-F361 HydrophobicContact CG-CZ 4.31Å; W341-F361 HydrophobicContact CH2-CE1 4.33Å; W341-F361 AromaticContact CH2-CZ 3.92Å; W341-F361 HydrophobicContact CH2-CZ 3.92Å; W341-F361 HydrophobicContact CZ2-CE1 4.43Å; W341-F361 HydrophobicContact CZ2-CE2 4.42Å; W341-F361 AromaticContact CZ2-CZ 3.58Å; W341-F361 HydrophobicContact CZ2-CZ 3.58Å; W341-F361 HydrophobicContact CZ3-CE1 4.32Å; W341-F361 HydrophobicContact CZ3-CZ 4.16Å; W341-F361 AromaticContact NE1-CE2 3.92Å; W341-F361 AromaticContact NE1-CZ 3.91Å; W341-F370 HydrophobicContact CB-CD1 4.47Å; W341-F370 HydrophobicContact CB-CE1 3.95Å; W341-F370 HydrophobicContact CB-CZ 4.12Å; W341-F370 AromaticContact CD1-CD1 3.39Å; W341-F370 AromaticContact CD1-CE1 3.74Å; W341-F370 AromaticContact CD1-CG 3.8Å; W341-F370 HydrophobicContact CG-CD1 4.27Å; W341-F370 HydrophobicContact CG-CE1 4.24Å; W341-E372 PolarHBondContact NE1-O 2.92Å |
| 342 | K | 80.7 | Confident | 86.8 | Confident | 110 Ų | 110 | 40.7 Ų | 40.7 | 48% | 0.478 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 125.1 | 179.9 | -72.3 | -179.2 | 178.5 | 171.8 | 0 | 110.8 | N6 L344 | N6-K342 PolarHBondContact OD1-NZ 2.57Å; K342-L344 VanDerWaalsContact C-N 3.33Å |
| 343 | G | 81.5 | Confident | 87.7 | Confident | 51 Ų | 51 | 40.3 Ų | 40.3 | 53% | 0.526 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 0.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D338 W341 W368 | D338-G343 PolarHBondContact OD1-N 2.87Å; W341-G343 PolarHBondContact O-N 2.88Å; G343-W368 PolarHBondContact O-NE1 3.11Å; G343-W368 VanDerWaalsContact O-NE1 3.09Å |
| 344 | L | 90.1 | Very high | 88 | Confident | 4 Ų | 4 | 40.1 Ų | 40.1 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -80.5 | 134.8 | 168.6 | -168.1 | 68.8 | 0 | 0 | 0 | 109.6 | I337 W341 K342 I348 F361 W368 F370 | I337-L344 HydrophobicContact CG2-CB 4.08Å; I337-L344 HydrophobicContact CG2-CD2 3.65Å; I337-L344 HydrophobicContact CG2-CG 4.03Å; W341-L344 HydrophobicContact CB-CB 3.7Å; W341-L344 HydrophobicContact CB-CD2 3.82Å; W341-L344 HydrophobicContact CB-CG 4.39Å; W341-L344 HydrophobicContact CD2-CD2 4.3Å; W341-L344 HydrophobicContact CE3-CD2 4.21Å; W341-L344 HydrophobicContact CG-CD2 4.18Å; W341-L344 VanDerWaalsContact O-CB 3.28Å; W341-L344 WeakPolarHBondContact O-CB 3.31Å; W341-L344 PolarHBondContact O-N 3.36Å; K342-L344 VanDerWaalsContact C-N 3.33Å; L344-I348 HydrophobicContact CD1-CG2 4.05Å; L344-I348 HydrophobicContact CD2-CG2 4.05Å; L344-I348 HydrophobicContact CG-CG2 3.91Å; L344-F361 HydrophobicContact CD1-CB 3.39Å; L344-F361 HydrophobicContact CD1-CD1 4.29Å; L344-F361 HydrophobicContact CD1-CD2 3.87Å; L344-F361 HydrophobicContact CD1-CG 3.59Å; L344-F361 HydrophobicContact CD2-CB 4.36Å; L344-F361 HydrophobicContact CD2-CD1 3.71Å; L344-F361 HydrophobicContact CD2-CD2 4.08Å; L344-F361 HydrophobicContact CD2-CE1 3.96Å; L344-F361 HydrophobicContact CD2-CE2 4.29Å; L344-F361 HydrophobicContact CD2-CG 3.78Å; L344-F361 HydrophobicContact CD2-CZ 4.25Å; L344-F361 HydrophobicContact CG-CG 4.38Å; L344-W368 HydrophobicContact CD1-CB 4.18Å; L344-W368 HydrophobicContact CD1-CD2 4.12Å; L344-W368 HydrophobicContact CD1-CE3 4.44Å; L344-W368 HydrophobicContact CD1-CG 4.01Å; L344-F370 HydrophobicContact CB-CE2 4.22Å; L344-F370 HydrophobicContact CB-CZ 3.98Å; L344-F370 HydrophobicContact CD1-CE2 3.87Å; L344-F370 HydrophobicContact CD1-CZ 4.48Å | ||
| 345 | P | 90.6 | Very high | 87.9 | Confident | 28 Ų | 28 | 43.6 Ų | 43.6 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | trans | -64 | 152 | -177.9 | 25.7 | -33.6 | 0 | 0 | 0 | 111.3 | R347 I348 K363 W368 | P345-R347 PolarHBondContact O-N 2.91Å; P345-I348 HydrophobicContact CG-CG2 4.22Å; P345-K363 HydrophobicContact CB-CG 4.36Å; P345-K363 HydrophobicContact CG-CB 3.77Å; P345-K363 HydrophobicContact CG-CG 3.82Å; P345-W368 HydrophobicContact CG-CH2 3.79Å; P345-W368 HydrophobicContact CG-CZ2 3.89Å; P345-W368 HydrophobicContact CG-CZ3 4.21Å | ||
| 346 | P | 83 | Confident | 87.9 | Confident | 79 Ų | 79 | 45.9 Ų | 45.9 | 51% | 0.513 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -72.8 | 16.6 | -176.2 | 34.1 | -39.6 | 0 | 0 | 0 | 113.2 | D318 R319 | D318-P346 CarbonylContact C-O 3.39Å; D318-P346 CarbonylContact O-C 3.58Å; R319-P346 WeakPolarHBondContact CA-O 3.37Å; R319-P346 HydrophobicContact CB-CB 3.78Å; R319-P346 PolarHBondContact N-O 2.85Å |
| 347 | R | 92.1 | Very high | 88.1 | Confident | 129 Ų | 129 | 44.7 Ų | 44.7 | 49% | 0.487 | 24% | 0.244 | S | C | . | . | S | Bend | trans | -162.9 | 120.6 | 172.1 | 179.2 | 164.6 | -178.9 | -161.2 | -0.5 | 106.6 | N304 P345 K363 | N304-R347 PolarHBondContact ND2-NE 2.78Å; N304-R347 VanDerWaalsContact ND2-NE 3.15Å; P345-R347 PolarHBondContact O-N 2.91Å; R347-K363 WeakPolarHBondContact O-CD 3.18Å; R347-K363 VanDerWaalsContact O-CE 3.24Å; R347-K363 WeakPolarHBondContact O-CE 3.48Å; R347-K363 WeakPolarHBondContact O-CG 3.24Å |
| 348 | I | 95.2 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -114.7 | 155.8 | 178.6 | 59.5 | 165.5 | 0 | 0 | 0 | 109.8 | N304 T305 F316 L344 P345 A351 F361 | N304-I348 WeakPolarHBondContact CB-O 3.48Å; T305-I348 HydrophobicContact CG2-CD1 3.64Å; T305-I348 HydrophobicContact CG2-CG1 3.79Å; F316-I348 HydrophobicContact CB-CD1 4.24Å; F316-I348 HydrophobicContact CB-CG1 4.09Å; F316-I348 HydrophobicContact CD1-CD1 3.47Å; F316-I348 VanDerWaalsContact CD1-CD1 3.47Å; F316-I348 HydrophobicContact CD1-CG1 3.95Å; F316-I348 HydrophobicContact CD2-CD1 3.86Å; F316-I348 HydrophobicContact CE1-CD1 3.62Å; F316-I348 HydrophobicContact CE2-CD1 4.01Å; F316-I348 HydrophobicContact CG-CD1 3.59Å; F316-I348 HydrophobicContact CG-CG1 3.98Å; F316-I348 HydrophobicContact CZ-CD1 3.9Å; L344-I348 HydrophobicContact CD1-CG2 4.05Å; L344-I348 HydrophobicContact CD2-CG2 4.05Å; L344-I348 HydrophobicContact CG-CG2 3.91Å; P345-I348 HydrophobicContact CG-CG2 4.22Å; I348-A351 HydrophobicContact CD1-CB 4.22Å; I348-F361 HydrophobicContact CD1-CD1 3.63Å; I348-F361 HydrophobicContact CD1-CE1 4.19Å | ||
| 349 | D | 95.1 | Very high | 89.2 | Confident | 37 Ų | 37 | 43 Ų | 43 | 20% | 0.198 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -99.8 | -40.4 | -175.8 | -55.8 | -31.3 | 0 | 0 | 0 | 111.1 | T305 F362 K363 G364 I395 | T305-D349 WeakPolarHBondContact CB-O 3.44Å; D349-F362 PolarHBondContact N-O 2.84Å; D349-K363 WeakPolarHBondContact OD1-CD 3.29Å; D349-K363 IonicContact OD1-NZ 3.31Å; D349-K363 PolarHBondContact OD1-NZ 3.43Å; D349-K363 WeakPolarHBondContact OD2-CA 3.48Å; D349-K363 VanDerWaalsContact OD2-CD 3.29Å; D349-K363 WeakPolarHBondContact OD2-CD 3.45Å; D349-K363 IonicContact OD2-NZ 2.74Å; D349-K363 PolarHBondContact OD2-NZ 2.96Å; D349-G364 PolarHBondContact OD2-N 3.18Å; D349-I395 WeakPolarHBondContact CB-O 3.41Å |
| 350 | A | 96.1 | Very high | 90 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 157.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | F362 I395 A398 | A350-F362 HydrophobicContact CB-CB 4.29Å; A350-F362 HydrophobicContact CB-CD2 4.03Å; A350-F362 PolarHBondContact O-N 3.19Å; A350-I395 HydrophobicContact CB-CB 4.3Å; A350-I395 HydrophobicContact CB-CG2 3.97Å; A350-A398 HydrophobicContact CB-CB 4.36Å |
| 351 | A | 96.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 36.1 Ų | 36.1 | 2% | 0.017 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 150.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | A307 F309 I348 V360 F361 | A307-A351 HydrophobicContact CB-CB 4.04Å; F309-A351 HydrophobicContact CZ-CB 3.71Å; I348-A351 HydrophobicContact CD1-CB 4.22Å; A351-V360 CarbonylContact C-O 3.56Å; A351-V360 WeakPolarHBondContact CA-O 3.39Å; A351-V360 WeakPolarHBondContact CB-O 3.34Å; A351-F361 HydrophobicContact CB-CD1 3.44Å; A351-F361 VanDerWaalsContact CB-CD1 3.44Å; A351-F361 HydrophobicContact CB-CE1 3.77Å; A351-F361 HydrophobicContact CB-CG 4.3Å |
| 352 | Y | 94.2 | Very high | 91.2 | Very high | 8 Ų | 8 | 36.1 Ų | 36.1 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 162.6 | 176.9 | 78.2 | -73.4 | 0 | 0 | 0 | 112.7 | R354 V360 F362 A398 R400 T407 F409 E420 | Y352-R354 HydrophobicContact CD2-CG 4.44Å; Y352-R354 HydrophobicContact CE2-CG 3.51Å; Y352-V360 HydrophobicContact CD1-CB 3.83Å; Y352-V360 HydrophobicContact CD1-CG1 4.43Å; Y352-V360 HydrophobicContact CD1-CG2 4.46Å; Y352-V360 HydrophobicContact CE1-CB 3.41Å; Y352-V360 VanDerWaalsContact CE1-CB 3.41Å; Y352-V360 HydrophobicContact CE1-CG1 3.74Å; Y352-V360 HydrophobicContact CE1-CG2 3.78Å; Y352-V360 PolarHBondContact N-O 3.42Å; Y352-V360 PolarHBondContact O-N 3.21Å; Y352-F362 AromaticContact CD1-CE2 3.73Å; Y352-F362 HydrophobicContact CD1-CE2 3.73Å; Y352-F362 HydrophobicContact CD1-CZ 4.42Å; Y352-F362 AromaticContact CE1-CE2 3.56Å; Y352-F362 HydrophobicContact CE1-CE2 3.56Å; Y352-F362 AromaticContact CE1-CZ 3.8Å; Y352-F362 HydrophobicContact CE1-CZ 3.8Å; Y352-A398 HydrophobicContact CD1-CB 3.59Å; Y352-A398 HydrophobicContact CE1-CB 4.4Å; Y352-A398 HydrophobicContact CG-CB 4.01Å; Y352-R400 HydrophobicContact CD2-CB 4.25Å; Y352-T407 HydrophobicContact CD2-CG2 3.82Å; Y352-T407 HydrophobicContact CE1-CG2 4.17Å; Y352-T407 HydrophobicContact CE2-CG2 3.38Å; Y352-T407 HydrophobicContact CG-CG2 4.37Å; Y352-F409 HydrophobicContact CD1-CE1 4.2Å; Y352-F409 AromaticContact CE1-CE1 3.64Å; Y352-F409 HydrophobicContact CE1-CE1 3.64Å; Y352-F409 HydrophobicContact CE1-CZ 4.07Å; Y352-E420 WeakPolarHBondContact CE2-OE1 3.47Å; Y352-E420 PolarHBondContact OH-OE1 3.01Å |
| 353 | E | 92.3 | Very high | 91.9 | Very high | 48 Ų | 48 | 34 Ų | 34 | 22% | 0.224 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.9 | 176.2 | -168.8 | 167.6 | 173.2 | 0 | 0 | 111.2 | F309 R310 F359 R400 | F309-E353 HydrophobicContact CD1-CB 4.1Å; R310-E353 PolarHBondContact N-OE2 3.05Å; E353-F359 HydrophobicContact CB-CD1 4.37Å; E353-F359 HydrophobicContact CG-CD1 4.05Å; E353-F359 HydrophobicContact CG-CE1 4.06Å; E353-R400 PolarHBondContact O-NH1 3.18Å |
| 354 | R | 90.4 | Very high | 92.5 | Very high | 34 Ų | 34 | 32.6 Ų | 32.6 | 13% | 0.128 | 18% | 0.177 | C | C | . | . | trans | -86.2 | 160.2 | 174.2 | -81 | 178.2 | 62.6 | -112.6 | -14.7 | 112.1 | Y352 D356 G357 K358 V360 R400 E420 | Y352-R354 HydrophobicContact CD2-CG 4.44Å; Y352-R354 HydrophobicContact CE2-CG 3.51Å; R354-D356 WeakPolarHBondContact CB-OD1 3.32Å; R354-D356 IonicContact CZ-OD1 3.6Å; R354-D356 IonicContact CZ-OD2 3.8Å; R354-D356 VanDerWaalsContact CZ-OD2 3.23Å; R354-D356 IonicContact NH1-OD1 2.95Å; R354-D356 IonicContact NH1-OD2 3.18Å; R354-D356 PolarHBondContact NH1-OD2 2.92Å; R354-D356 IonicContact NH2-OD1 2.71Å; R354-D356 IonicContact NH2-OD2 3.89Å; R354-D356 PolarHBondContact NH2-OD2 2.87Å; R354-D356 PolarHBondContact O-N 2.8Å; R354-G357 WeakPolarHBondContact O-CA 3.31Å; R354-G357 PolarHBondContact O-N 3.02Å; R354-K358 PolarHBondContact N-O 2.89Å; R354-V360 HydrophobicContact CG-CG2 3.53Å; R354-R400 PolarHBondContact O-NH1 2.76Å; R354-E420 WeakPolarHBondContact CD-OE2 3.34Å; R354-E420 IonicContact CZ-OE2 2.71Å; R354-E420 IonicContact NE-OE2 2.78Å; R354-E420 PolarHBondContact NE-OE2 3.34Å | ||
| 355 | S | 85.1 | Confident | 92.6 | Very high | 86 Ų | 86 | 36.6 Ų | 36.6 | 60% | 0.601 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65 | -21.6 | -170.2 | 49.2 | 0 | 0 | 0 | 0 | 113.3 | G357 R400 | S355-G357 PolarHBondContact O-N 3.27Å; S355-R400 VanDerWaalsContact CA-NH1 3.28Å |
| 356 | D | 88.2 | Confident | 92.8 | Very high | 73 Ų | 73 | 39.8 Ų | 39.8 | 39% | 0.39 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 6.2 | 172.1 | 59.3 | -0.6 | 0 | 0 | 0 | 113.3 | R354 K358 | R354-D356 WeakPolarHBondContact CB-OD1 3.32Å; R354-D356 IonicContact CZ-OD1 3.6Å; R354-D356 IonicContact CZ-OD2 3.8Å; R354-D356 VanDerWaalsContact CZ-OD2 3.23Å; R354-D356 IonicContact NH1-OD1 2.95Å; R354-D356 IonicContact NH1-OD2 3.18Å; R354-D356 PolarHBondContact NH1-OD2 2.92Å; R354-D356 IonicContact NH2-OD1 2.71Å; R354-D356 IonicContact NH2-OD2 3.89Å; R354-D356 PolarHBondContact NH2-OD2 2.87Å; R354-D356 PolarHBondContact O-N 2.8Å; D356-K358 VanDerWaalsContact C-N 3.26Å; D356-K358 PolarHBondContact O-N 2.93Å; D356-K358 WeakPolarHBondContact OD1-CB 3.21Å; D356-K358 WeakPolarHBondContact OD1-CG 3.36Å; D356-K358 PolarHBondContact OD1-N 3Å; D356-K358 WeakPolarHBondContact OD2-CD 3.35Å |
| 357 | G | 87.5 | Confident | 93.4 | Very high | 19 Ų | 19 | 36.1 Ų | 36.1 | 20% | 0.196 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 75.3 | 10.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R354 S355 | R354-G357 WeakPolarHBondContact O-CA 3.31Å; R354-G357 PolarHBondContact O-N 3.02Å; S355-G357 PolarHBondContact O-N 3.27Å |
| 358 | K | 93.1 | Very high | 93.6 | Very high | 46 Ų | 46 | 31 Ų | 31 | 20% | 0.2 | 17% | 0.166 | C | C | . | . | trans | -84.3 | 147 | 175.1 | -61.6 | -174.4 | -169.8 | -178.9 | 0 | 110.9 | R354 D356 V369 F370 K371 E376 | R354-K358 PolarHBondContact N-O 2.89Å; D356-K358 VanDerWaalsContact C-N 3.26Å; D356-K358 PolarHBondContact O-N 2.93Å; D356-K358 WeakPolarHBondContact OD1-CB 3.21Å; D356-K358 WeakPolarHBondContact OD1-CG 3.36Å; D356-K358 PolarHBondContact OD1-N 3Å; D356-K358 WeakPolarHBondContact OD2-CD 3.35Å; K358-V369 HydrophobicContact CB-CG1 3.88Å; K358-V369 HydrophobicContact CD-CG1 3.78Å; K358-V369 HydrophobicContact CG-CG1 4.43Å; K358-F370 CarbonylContact C-O 3.58Å; K358-F370 VanDerWaalsContact CA-O 3.31Å; K358-F370 WeakPolarHBondContact CA-O 3.03Å; K358-F370 WeakPolarHBondContact CB-O 3.35Å; K358-K371 HydrophobicContact CG-CB 4.41Å; K358-E376 HydrophobicContact CD-CG 4.29Å; K358-E376 IonicContact NZ-OE2 2.79Å; K358-E376 PolarHBondContact NZ-OE2 3.37Å | ||
| 359 | F | 94.9 | Very high | 93.6 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 2% | 0.018 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 134.3 | 176.7 | -48.5 | -40.6 | 0 | 0 | 0 | 109.8 | F309 R310 W341 E353 F361 V369 F370 E372 | F309-F359 HydrophobicContact CB-CD1 4.28Å; F309-F359 HydrophobicContact CB-CE1 3.85Å; F309-F359 HydrophobicContact CB-CZ 4.13Å; F309-F359 AromaticContact CD1-CD1 3.55Å; F309-F359 HydrophobicContact CD1-CD1 3.55Å; F309-F359 AromaticContact CD1-CE1 3.96Å; F309-F359 HydrophobicContact CD1-CE1 3.96Å; F309-F359 HydrophobicContact CD1-CG 4.13Å; F309-F359 HydrophobicContact CE1-CB 4.17Å; F309-F359 AromaticContact CE1-CD1 3.97Å; F309-F359 HydrophobicContact CE1-CD1 3.97Å; F309-F359 HydrophobicContact CE1-CG 4.23Å; F309-F359 AromaticContact CG-CD1 3.97Å; F309-F359 HydrophobicContact CG-CD1 3.97Å; F309-F359 HydrophobicContact CG-CE1 4.06Å; F309-F359 HydrophobicContact CG-CG 4.39Å; F309-F359 HydrophobicContact CZ-CB 4.33Å; R310-F359 HydrophobicContact CG-CE1 4.19Å; R310-F359 HydrophobicContact CG-CZ 3.99Å; W341-F359 HydrophobicContact CZ2-CD2 4.01Å; W341-F359 HydrophobicContact CZ2-CE2 4.37Å; E353-F359 HydrophobicContact CB-CD1 4.37Å; E353-F359 HydrophobicContact CG-CD1 4.05Å; E353-F359 HydrophobicContact CG-CE1 4.06Å; F359-F361 HydrophobicContact CB-CE2 3.66Å; F359-F361 HydrophobicContact CB-CZ 3.91Å; F359-V369 WeakPolarHBondContact O-CA 3.35Å; F359-F370 HydrophobicContact CB-CB 4.47Å; F359-F370 PolarHBondContact N-O 3.39Å; F359-F370 PolarHBondContact O-N 2.82Å; F359-E372 VanDerWaalsContact CD2-O 3.23Å; F359-E372 WeakPolarHBondContact CD2-O 3.29Å |
| 360 | V | 95.7 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.4 | 176.7 | -172.6 | 0 | 0 | 0 | 0 | 108.9 | A351 Y352 R354 F362 F367 W368 V369 | A351-V360 CarbonylContact C-O 3.56Å; A351-V360 WeakPolarHBondContact CA-O 3.39Å; A351-V360 WeakPolarHBondContact CB-O 3.34Å; Y352-V360 HydrophobicContact CD1-CB 3.83Å; Y352-V360 HydrophobicContact CD1-CG1 4.43Å; Y352-V360 HydrophobicContact CD1-CG2 4.46Å; Y352-V360 HydrophobicContact CE1-CB 3.41Å; Y352-V360 VanDerWaalsContact CE1-CB 3.41Å; Y352-V360 HydrophobicContact CE1-CG1 3.74Å; Y352-V360 HydrophobicContact CE1-CG2 3.78Å; Y352-V360 PolarHBondContact N-O 3.42Å; Y352-V360 PolarHBondContact O-N 3.21Å; R354-V360 HydrophobicContact CG-CG2 3.53Å; V360-F362 HydrophobicContact CG1-CE1 4.25Å; V360-F362 HydrophobicContact CG1-CE2 3.83Å; V360-F362 HydrophobicContact CG1-CZ 3.67Å; V360-F367 HydrophobicContact CG1-CD2 4.03Å; V360-W368 VanDerWaalsContact CA-O 3.32Å; V360-W368 WeakPolarHBondContact CA-O 3.36Å; V360-V369 HydrophobicContact CG2-CG2 4.25Å |
| 361 | F | 96.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 140.5 | 177.8 | -59.2 | -85.4 | 0 | 0 | 0 | 110 | F309 F316 W341 L344 I348 A351 F359 F367 W368 F370 | F309-F361 AromaticContact CE2-CE1 3.89Å; F309-F361 HydrophobicContact CE2-CE1 3.89Å; F309-F361 AromaticContact CE2-CZ 4Å; F309-F361 HydrophobicContact CE2-CZ 4Å; F309-F361 AromaticContact CZ-CE1 3.87Å; F309-F361 HydrophobicContact CZ-CE1 3.87Å; F309-F361 HydrophobicContact CZ-CZ 4.02Å; F316-F361 HydrophobicContact CE1-CE1 4.22Å; F316-F361 AromaticContact CZ-CE1 3.78Å; F316-F361 HydrophobicContact CZ-CE1 3.78Å; W341-F361 HydrophobicContact CD2-CE1 4.41Å; W341-F361 HydrophobicContact CD2-CE2 4.17Å; W341-F361 AromaticContact CD2-CZ 3.69Å; W341-F361 HydrophobicContact CD2-CZ 3.69Å; W341-F361 AromaticContact CE2-CE2 3.95Å; W341-F361 AromaticContact CE2-CZ 3.46Å; W341-F361 VanDerWaalsContact CE2-CZ 3.46Å; W341-F361 HydrophobicContact CE3-CE1 4.34Å; W341-F361 HydrophobicContact CE3-CZ 4.05Å; W341-F361 HydrophobicContact CG-CE2 4.32Å; W341-F361 HydrophobicContact CG-CZ 4.31Å; W341-F361 HydrophobicContact CH2-CE1 4.33Å; W341-F361 AromaticContact CH2-CZ 3.92Å; W341-F361 HydrophobicContact CH2-CZ 3.92Å; W341-F361 HydrophobicContact CZ2-CE1 4.43Å; W341-F361 HydrophobicContact CZ2-CE2 4.42Å; W341-F361 AromaticContact CZ2-CZ 3.58Å; W341-F361 HydrophobicContact CZ2-CZ 3.58Å; W341-F361 HydrophobicContact CZ3-CE1 4.32Å; W341-F361 HydrophobicContact CZ3-CZ 4.16Å; W341-F361 AromaticContact NE1-CE2 3.92Å; W341-F361 AromaticContact NE1-CZ 3.91Å; L344-F361 HydrophobicContact CD1-CB 3.39Å; L344-F361 HydrophobicContact CD1-CD1 4.29Å; L344-F361 HydrophobicContact CD1-CD2 3.87Å; L344-F361 HydrophobicContact CD1-CG 3.59Å; L344-F361 HydrophobicContact CD2-CB 4.36Å; L344-F361 HydrophobicContact CD2-CD1 3.71Å; L344-F361 HydrophobicContact CD2-CD2 4.08Å; L344-F361 HydrophobicContact CD2-CE1 3.96Å; L344-F361 HydrophobicContact CD2-CE2 4.29Å; L344-F361 HydrophobicContact CD2-CG 3.78Å; L344-F361 HydrophobicContact CD2-CZ 4.25Å; L344-F361 HydrophobicContact CG-CG 4.38Å; I348-F361 HydrophobicContact CD1-CD1 3.63Å; I348-F361 HydrophobicContact CD1-CE1 4.19Å; A351-F361 HydrophobicContact CB-CD1 3.44Å; A351-F361 VanDerWaalsContact CB-CD1 3.44Å; A351-F361 HydrophobicContact CB-CE1 3.77Å; A351-F361 HydrophobicContact CB-CG 4.3Å; F359-F361 HydrophobicContact CB-CE2 3.66Å; F359-F361 HydrophobicContact CB-CZ 3.91Å; F361-F367 CarbonylContact O-C 3.45Å; F361-F367 WeakPolarHBondContact O-CA 3.49Å; F361-F367 WeakPolarHBondContact O-CB 3.5Å; F361-W368 HydrophobicContact CB-CB 4.49Å; F361-W368 PolarHBondContact N-O 3.29Å; F361-W368 PolarHBondContact O-N 3.16Å; F361-F370 AromaticContact CD2-CD2 3.6Å; F361-F370 HydrophobicContact CD2-CD2 3.6Å; F361-F370 HydrophobicContact CD2-CE2 4.11Å; F361-F370 HydrophobicContact CD2-CG 4.35Å; F361-F370 HydrophobicContact CE2-CB 4.13Å; F361-F370 AromaticContact CE2-CD2 3.81Å; F361-F370 HydrophobicContact CE2-CD2 3.81Å; F361-F370 HydrophobicContact CE2-CE2 4.49Å; F361-F370 HydrophobicContact CE2-CG 4.11Å |
| 362 | F | 96.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.2 | 178.2 | -62.6 | -82.2 | 0 | 0 | 0 | 110.5 | D349 A350 Y352 V360 F367 L383 L386 I395 A398 F409 | D349-F362 PolarHBondContact N-O 2.84Å; A350-F362 HydrophobicContact CB-CB 4.29Å; A350-F362 HydrophobicContact CB-CD2 4.03Å; A350-F362 PolarHBondContact O-N 3.19Å; Y352-F362 AromaticContact CD1-CE2 3.73Å; Y352-F362 HydrophobicContact CD1-CE2 3.73Å; Y352-F362 HydrophobicContact CD1-CZ 4.42Å; Y352-F362 AromaticContact CE1-CE2 3.56Å; Y352-F362 HydrophobicContact CE1-CE2 3.56Å; Y352-F362 AromaticContact CE1-CZ 3.8Å; Y352-F362 HydrophobicContact CE1-CZ 3.8Å; V360-F362 HydrophobicContact CG1-CE1 4.25Å; V360-F362 HydrophobicContact CG1-CE2 3.83Å; V360-F362 HydrophobicContact CG1-CZ 3.67Å; F362-F367 HydrophobicContact CD1-CB 3.63Å; F362-F367 HydrophobicContact CE1-CB 3.71Å; F362-F367 HydrophobicContact CE1-CG 4.42Å; F362-L383 HydrophobicContact CD1-CD1 3.91Å; F362-L383 HydrophobicContact CE1-CD1 3.59Å; F362-L386 HydrophobicContact CE1-CD2 3.63Å; F362-L386 HydrophobicContact CZ-CD2 3.84Å; F362-I395 HydrophobicContact CB-CB 4.22Å; F362-I395 HydrophobicContact CD1-CB 4.31Å; F362-I395 HydrophobicContact CD1-CG1 3.77Å; F362-I395 HydrophobicContact CD2-CB 4.3Å; F362-I395 HydrophobicContact CD2-CG1 4.46Å; F362-I395 HydrophobicContact CE1-CG1 4.03Å; F362-I395 HydrophobicContact CG-CB 4.02Å; F362-I395 HydrophobicContact CG-CG1 4Å; F362-I395 HydrophobicContact CZ-CG1 4.46Å; F362-A398 HydrophobicContact CD2-CB 4.45Å; F362-A398 HydrophobicContact CE2-CB 4.03Å; F362-F409 HydrophobicContact CE2-CD1 4.34Å; F362-F409 AromaticContact CE2-CE1 3.76Å; F362-F409 HydrophobicContact CE2-CE1 3.76Å; F362-F409 HydrophobicContact CZ-CD1 4.26Å; F362-F409 AromaticContact CZ-CE1 3.5Å; F362-F409 HydrophobicContact CZ-CE1 3.5Å; F362-F409 AromaticContact CZ-CZ 3.9Å; F362-F409 HydrophobicContact CZ-CZ 3.9Å |
| 363 | K | 95.3 | Very high | 92 | Very high | 65 Ų | 65 | 37 Ų | 37 | 28% | 0.283 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 111.9 | 167.8 | -179.2 | 46.7 | 175.1 | 159.9 | 0 | 110 | P345 R347 D349 D365 K366 W368 | P345-K363 HydrophobicContact CB-CG 4.36Å; P345-K363 HydrophobicContact CG-CB 3.77Å; P345-K363 HydrophobicContact CG-CG 3.82Å; R347-K363 WeakPolarHBondContact O-CD 3.18Å; R347-K363 VanDerWaalsContact O-CE 3.24Å; R347-K363 WeakPolarHBondContact O-CE 3.48Å; R347-K363 WeakPolarHBondContact O-CG 3.24Å; D349-K363 WeakPolarHBondContact OD1-CD 3.29Å; D349-K363 IonicContact OD1-NZ 3.31Å; D349-K363 PolarHBondContact OD1-NZ 3.43Å; D349-K363 WeakPolarHBondContact OD2-CA 3.48Å; D349-K363 VanDerWaalsContact OD2-CD 3.29Å; D349-K363 WeakPolarHBondContact OD2-CD 3.45Å; D349-K363 IonicContact OD2-NZ 2.74Å; D349-K363 PolarHBondContact OD2-NZ 2.96Å; K363-D365 PolarHBondContact O-N 3.34Å; K363-K366 PolarHBondContact N-O 2.89Å; K363-K366 PolarHBondContact O-N 3.15Å; K363-K366 VanDerWaalsContact O-N 3.11Å; K363-W368 HydrophobicContact CB-CH2 3.96Å; K363-W368 HydrophobicContact CB-CZ3 3.61Å |
| 364 | G | 93.7 | Very high | 91.6 | Very high | 23 Ų | 23 | 40.6 Ų | 40.6 | 24% | 0.237 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | -130.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D349 K366 G394 | D349-G364 PolarHBondContact OD2-N 3.18Å; G364-K366 PolarHBondContact O-N 3.29Å; G364-G394 WeakPolarHBondContact O-CA 2.96Å |
| 365 | D | 93 | Very high | 91.6 | Very high | 87 Ų | 87 | 41 Ų | 41 | 47% | 0.465 | 22% | 0.218 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | 9 | 179.8 | 69.8 | -34.1 | 0 | 0 | 0 | 114.1 | K363 S382 L383 K392 | K363-D365 PolarHBondContact O-N 3.34Å; D365-S382 CarbonylContact O-C 3.57Å; D365-S382 WeakPolarHBondContact O-CA 3.29Å; D365-L383 PolarHBondContact O-N 2.75Å; D365-K392 WeakPolarHBondContact CB-O 3.48Å |
| 366 | K | 94.8 | Very high | 91.9 | Very high | 96 Ų | 96 | 39.3 Ų | 39.3 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 152.6 | -176.4 | -64.7 | -177.2 | -171.9 | -172.8 | 0 | 112.4 | K363 G364 W368 P380 Q381 | K363-K366 PolarHBondContact N-O 2.89Å; K363-K366 PolarHBondContact O-N 3.15Å; K363-K366 VanDerWaalsContact O-N 3.11Å; G364-K366 PolarHBondContact O-N 3.29Å; K366-W368 HydrophobicContact CB-CH2 3.62Å; K366-W368 HydrophobicContact CB-CZ3 3.6Å; K366-W368 HydrophobicContact CD-CH2 4.34Å; K366-P380 HydrophobicContact CB-CB 4.27Å; K366-P380 HydrophobicContact CD-CB 4.26Å; K366-P380 HydrophobicContact CD-CG 4.42Å; K366-Q381 VanDerWaalsContact CA-O 3.31Å; K366-Q381 WeakPolarHBondContact CA-O 3.4Å |
| 367 | F | 95.6 | Very high | 92 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.2 | 171 | 78.9 | -73.5 | 0 | 0 | 0 | 111.5 | V360 F361 F362 V369 Y379 P380 Q381 S382 E385 L386 | V360-F367 HydrophobicContact CG1-CD2 4.03Å; F361-F367 CarbonylContact O-C 3.45Å; F361-F367 WeakPolarHBondContact O-CA 3.49Å; F361-F367 WeakPolarHBondContact O-CB 3.5Å; F362-F367 HydrophobicContact CD1-CB 3.63Å; F362-F367 HydrophobicContact CE1-CB 3.71Å; F362-F367 HydrophobicContact CE1-CG 4.42Å; F367-V369 HydrophobicContact CD2-CG2 3.97Å; F367-V369 HydrophobicContact CE2-CG2 3.73Å; F367-Y379 HydrophobicContact CD2-CD1 4.4Å; F367-Y379 AromaticContact CD2-CE1 3.97Å; F367-Y379 HydrophobicContact CD2-CE1 3.97Å; F367-Y379 HydrophobicContact CE1-CE1 4.36Å; F367-Y379 HydrophobicContact CE2-CD1 4.15Å; F367-Y379 AromaticContact CE2-CE1 3.32Å; F367-Y379 HydrophobicContact CE2-CE1 3.32Å; F367-Y379 HydrophobicContact CZ-CD1 4.41Å; F367-Y379 AromaticContact CZ-CE1 3.55Å; F367-Y379 HydrophobicContact CZ-CE1 3.55Å; F367-P380 VanDerWaalsContact O-CA 3.31Å; F367-P380 WeakPolarHBondContact O-CA 3.27Å; F367-Q381 HydrophobicContact CD1-CB 4.14Å; F367-Q381 WeakPolarHBondContact CD1-O 3.4Å; F367-Q381 HydrophobicContact CE1-CB 3.49Å; F367-Q381 VanDerWaalsContact CE1-CB 3.49Å; F367-Q381 HydrophobicContact CZ-CB 3.95Å; F367-Q381 PolarHBondContact N-O 2.99Å; F367-Q381 PolarHBondContact O-N 3.42Å; F367-S382 VanDerWaalsContact CE1-O 3.27Å; F367-S382 WeakPolarHBondContact CE1-O 3.45Å; F367-E385 HydrophobicContact CE1-CB 4.34Å; F367-L386 HydrophobicContact CD1-CB 4.12Å; F367-L386 HydrophobicContact CD2-CD1 4.32Å; F367-L386 HydrophobicContact CD2-CD2 4.39Å; F367-L386 HydrophobicContact CE1-CB 3.65Å; F367-L386 HydrophobicContact CE2-CB 4.19Å; F367-L386 HydrophobicContact CE2-CD1 3.7Å; F367-L386 HydrophobicContact CE2-CG 4.35Å; F367-L386 HydrophobicContact CG-CD2 4.49Å; F367-L386 HydrophobicContact CZ-CB 3.68Å; F367-L386 HydrophobicContact CZ-CD1 3.92Å; F367-L386 HydrophobicContact CZ-CG 4.3Å |
| 368 | W | 96.1 | Very high | 92 | Very high | 20 Ų | 20 | 43.3 Ų | 43.3 | 8% | 0.076 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 138.4 | 176.5 | -65.3 | -114.3 | 0 | 0 | 0 | 108.4 | G343 L344 P345 V360 F361 K363 K366 F370 P380 | G343-W368 PolarHBondContact O-NE1 3.11Å; G343-W368 VanDerWaalsContact O-NE1 3.09Å; L344-W368 HydrophobicContact CD1-CB 4.18Å; L344-W368 HydrophobicContact CD1-CD2 4.12Å; L344-W368 HydrophobicContact CD1-CE3 4.44Å; L344-W368 HydrophobicContact CD1-CG 4.01Å; P345-W368 HydrophobicContact CG-CH2 3.79Å; P345-W368 HydrophobicContact CG-CZ2 3.89Å; P345-W368 HydrophobicContact CG-CZ3 4.21Å; V360-W368 VanDerWaalsContact CA-O 3.32Å; V360-W368 WeakPolarHBondContact CA-O 3.36Å; F361-W368 HydrophobicContact CB-CB 4.49Å; F361-W368 PolarHBondContact N-O 3.29Å; F361-W368 PolarHBondContact O-N 3.16Å; K363-W368 HydrophobicContact CB-CH2 3.96Å; K363-W368 HydrophobicContact CB-CZ3 3.61Å; K366-W368 HydrophobicContact CB-CH2 3.62Å; K366-W368 HydrophobicContact CB-CZ3 3.6Å; K366-W368 HydrophobicContact CD-CH2 4.34Å; W368-F370 HydrophobicContact CB-CD2 3.81Å; W368-F370 HydrophobicContact CB-CE2 3.47Å; W368-F370 VanDerWaalsContact CB-CE2 3.47Å; W368-F370 AromaticContact CD1-CE2 3.88Å; W368-F370 AromaticContact CG-CE2 3.96Å; W368-F370 HydrophobicContact CG-CE2 3.96Å; W368-P380 HydrophobicContact CD2-CB 3.8Å; W368-P380 VanDerWaalsContact CE2-CB 3.4Å; W368-P380 HydrophobicContact CE3-CB 4.35Å; W368-P380 HydrophobicContact CG-CB 4.21Å; W368-P380 HydrophobicContact CH2-CB 4.07Å; W368-P380 HydrophobicContact CZ2-CB 3.56Å; W368-P380 HydrophobicContact CZ2-CG 3.73Å; W368-P380 HydrophobicContact CZ3-CB 4.43Å |
| 369 | V | 95.8 | Very high | 91.9 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.024 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.9 | 168.2 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | K358 F359 V360 F367 E376 Y379 | K358-V369 HydrophobicContact CB-CG1 3.88Å; K358-V369 HydrophobicContact CD-CG1 3.78Å; K358-V369 HydrophobicContact CG-CG1 4.43Å; F359-V369 WeakPolarHBondContact O-CA 3.35Å; V360-V369 HydrophobicContact CG2-CG2 4.25Å; F367-V369 HydrophobicContact CD2-CG2 3.97Å; F367-V369 HydrophobicContact CE2-CG2 3.73Å; V369-E376 HydrophobicContact CB-CG 4.43Å; V369-E376 HydrophobicContact CG1-CG 4.07Å; V369-E376 WeakPolarHBondContact O-CB 3.28Å; V369-E376 PolarHBondContact O-N 2.95Å; V369-Y379 HydrophobicContact CB-CD1 4.34Å; V369-Y379 HydrophobicContact CB-CD2 4.07Å; V369-Y379 HydrophobicContact CB-CE1 4.01Å; V369-Y379 HydrophobicContact CB-CE2 3.69Å; V369-Y379 HydrophobicContact CB-CG 4.36Å; V369-Y379 HydrophobicContact CG2-CD1 4.16Å; V369-Y379 HydrophobicContact CG2-CE1 3.51Å; V369-Y379 HydrophobicContact CG2-CE2 4Å; V369-Y379 WeakPolarHBondContact CG2-OH 3.44Å |
| 370 | F | 93.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 129.6 | 177.6 | -80.1 | -102.4 | 0 | 0 | 0 | 109.1 | W341 L344 K358 F359 F361 W368 E372 V373 K374 A375 | W341-F370 HydrophobicContact CB-CD1 4.47Å; W341-F370 HydrophobicContact CB-CE1 3.95Å; W341-F370 HydrophobicContact CB-CZ 4.12Å; W341-F370 AromaticContact CD1-CD1 3.39Å; W341-F370 AromaticContact CD1-CE1 3.74Å; W341-F370 AromaticContact CD1-CG 3.8Å; W341-F370 HydrophobicContact CG-CD1 4.27Å; W341-F370 HydrophobicContact CG-CE1 4.24Å; L344-F370 HydrophobicContact CB-CE2 4.22Å; L344-F370 HydrophobicContact CB-CZ 3.98Å; L344-F370 HydrophobicContact CD1-CE2 3.87Å; L344-F370 HydrophobicContact CD1-CZ 4.48Å; K358-F370 CarbonylContact C-O 3.58Å; K358-F370 VanDerWaalsContact CA-O 3.31Å; K358-F370 WeakPolarHBondContact CA-O 3.03Å; K358-F370 WeakPolarHBondContact CB-O 3.35Å; F359-F370 HydrophobicContact CB-CB 4.47Å; F359-F370 PolarHBondContact N-O 3.39Å; F359-F370 PolarHBondContact O-N 2.82Å; F361-F370 AromaticContact CD2-CD2 3.6Å; F361-F370 HydrophobicContact CD2-CD2 3.6Å; F361-F370 HydrophobicContact CD2-CE2 4.11Å; F361-F370 HydrophobicContact CD2-CG 4.35Å; F361-F370 HydrophobicContact CE2-CB 4.13Å; F361-F370 AromaticContact CE2-CD2 3.81Å; F361-F370 HydrophobicContact CE2-CD2 3.81Å; F361-F370 HydrophobicContact CE2-CE2 4.49Å; F361-F370 HydrophobicContact CE2-CG 4.11Å; W368-F370 HydrophobicContact CB-CD2 3.81Å; W368-F370 HydrophobicContact CB-CE2 3.47Å; W368-F370 VanDerWaalsContact CB-CE2 3.47Å; W368-F370 AromaticContact CD1-CE2 3.88Å; W368-F370 AromaticContact CG-CE2 3.96Å; W368-F370 HydrophobicContact CG-CE2 3.96Å; F370-E372 PolarHBondContact O-N 2.81Å; F370-V373 WeakPolarHBondContact CD1-O 3.27Å; F370-K374 CarbonylContact C-O 3.46Å; F370-K374 VanDerWaalsContact CA-O 3.3Å; F370-K374 WeakPolarHBondContact CA-O 3.45Å; F370-A375 HydrophobicContact CD1-CB 4.07Å; F370-A375 HydrophobicContact CE1-CB 3.63Å; F370-A375 HydrophobicContact CE2-CB 4.22Å; F370-A375 HydrophobicContact CZ-CB 3.72Å |
| 371 | K | 88.7 | Confident | 91.8 | Very high | 115 Ų | 115 | 48.9 Ų | 48.9 | 50% | 0.5 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 103.6 | 158.3 | -172.2 | -179 | 177.8 | -173 | 0 | 105.9 | K358 V373 K374 | K358-K371 HydrophobicContact CG-CB 4.41Å; K371-V373 PolarHBondContact O-N 3.47Å; K371-V373 VanDerWaalsContact O-N 3.08Å; K371-K374 PolarHBondContact N-O 3.32Å; K371-K374 PolarHBondContact O-N 2.76Å |
| 372 | E | 82.8 | Confident | 91.6 | Very high | 37 Ų | 37 | 51 Ų | 51 | 17% | 0.173 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | -105.9 | -176.1 | -62.9 | 155.1 | 160.6 | 0 | 0 | 111.3 | F147 R310 W341 F359 F370 | F147-E372 HydrophobicContact CB-CB 3.65Å; F147-E372 HydrophobicContact CB-CG 3.81Å; F147-E372 VanDerWaalsContact CB-OE2 3.25Å; F147-E372 WeakPolarHBondContact CB-OE2 3.18Å; F147-E372 HydrophobicContact CD1-CB 3.93Å; F147-E372 HydrophobicContact CD1-CG 3.65Å; F147-E372 HydrophobicContact CD2-CB 4.2Å; F147-E372 HydrophobicContact CE1-CG 4.41Å; F147-E372 HydrophobicContact CG-CB 3.68Å; F147-E372 HydrophobicContact CG-CG 3.87Å; R310-E372 IonicContact CZ-OE1 3.9Å; R310-E372 IonicContact NH1-OE1 2.88Å; R310-E372 PolarHBondContact NH1-OE1 2.92Å; R310-E372 VanDerWaalsContact NH1-OE1 3.08Å; R310-E372 IonicContact NH2-OE1 2.75Å; R310-E372 PolarHBondContact NH2-OE1 2.85Å; W341-E372 PolarHBondContact NE1-O 2.92Å; F359-E372 VanDerWaalsContact CD2-O 3.23Å; F359-E372 WeakPolarHBondContact CD2-O 3.29Å; F370-E372 PolarHBondContact O-N 2.81Å |
| 373 | V | 81.8 | Confident | 91.4 | Very high | 19 Ų | 19 | 51.1 Ų | 51.1 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -5.7 | 177.6 | -62.4 | 0 | 0 | 0 | 0 | 113.6 | F147 P153 F340 F370 K371 | F147-V373 HydrophobicContact CD2-CG1 4.07Å; F147-V373 HydrophobicContact CD2-CG2 4.46Å; F147-V373 HydrophobicContact CE2-CG1 4.05Å; P153-V373 HydrophobicContact CB-CG2 4.22Å; P153-V373 HydrophobicContact CG-CG2 3.63Å; F340-V373 HydrophobicContact CD1-CG1 4.01Å; F340-V373 HydrophobicContact CE1-CG1 3.65Å; F340-V373 HydrophobicContact CZ-CG1 4.03Å; F340-V373 WeakPolarHBondContact O-CB 3.27Å; F370-V373 WeakPolarHBondContact CD1-O 3.27Å; K371-V373 PolarHBondContact O-N 3.47Å; K371-V373 VanDerWaalsContact O-N 3.08Å |
| 374 | K | 84.6 | Confident | 91 | Very high | 122 Ų | 122 | 53.8 Ų | 53.8 | 53% | 0.53 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 123.9 | 177.9 | -68.2 | -180 | -177.2 | 171.4 | 0 | 109.7 | F370 K371 E376 | F370-K374 CarbonylContact C-O 3.46Å; F370-K374 VanDerWaalsContact CA-O 3.3Å; F370-K374 WeakPolarHBondContact CA-O 3.45Å; K371-K374 PolarHBondContact N-O 3.32Å; K371-K374 PolarHBondContact O-N 2.76Å; K374-E376 PolarHBondContact O-N 3.26Å |
| 375 | A | 89.7 | Confident | 90.7 | Very high | 42 Ų | 42 | 59 Ų | 59 | 35% | 0.347 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 131.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | F370 | F370-A375 HydrophobicContact CD1-CB 4.07Å; F370-A375 HydrophobicContact CE1-CB 3.63Å; F370-A375 HydrophobicContact CE2-CB 4.22Å; F370-A375 HydrophobicContact CZ-CB 3.72Å |
| 376 | E | 91.7 | Very high | 90.4 | Very high | 51 Ų | 51 | 55.5 Ų | 55.5 | 24% | 0.238 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -63.3 | 149.3 | 173.8 | -72.1 | -79.2 | 99.8 | 0 | 0 | 109.6 | K358 V369 K374 G378 Y379 | K358-E376 HydrophobicContact CD-CG 4.29Å; K358-E376 IonicContact NZ-OE2 2.79Å; K358-E376 PolarHBondContact NZ-OE2 3.37Å; V369-E376 HydrophobicContact CB-CG 4.43Å; V369-E376 HydrophobicContact CG1-CG 4.07Å; V369-E376 WeakPolarHBondContact O-CB 3.28Å; V369-E376 PolarHBondContact O-N 2.95Å; K374-E376 PolarHBondContact O-N 3.26Å; E376-G378 PolarHBondContact O-N 2.8Å; E376-Y379 HydrophobicContact CB-CD2 3.56Å; E376-Y379 HydrophobicContact CB-CE2 3.67Å; E376-Y379 WeakPolarHBondContact O-CD2 3.3Å; E376-Y379 PolarHBondContact O-N 2.84Å |
| 377 | P | 90.7 | Very high | 89.8 | Confident | 119 Ų | 119 | 51.2 Ų | 51.2 | 77% | 0.773 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 137 | 177.7 | -23.5 | 33.5 | 0 | 0 | 0 | 111.6 | ||
| 378 | G | 88.8 | Confident | 89 | Confident | 58 Ų | 58 | 55 Ų | 55 | 60% | 0.598 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90 | 1.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | E376 Q381 | E376-G378 PolarHBondContact O-N 2.8Å; G378-Q381 WeakPolarHBondContact O-CG 3.43Å |
| 379 | Y | 90.8 | Very high | 88.4 | Confident | 56 Ų | 56 | 62.1 Ų | 62.1 | 22% | 0.22 | 34% | 0.34 | C | S | . | . | trans | -96.9 | 149.9 | 172.7 | -68.1 | -80.6 | 0 | 0 | 0 | 112.3 | F367 V369 E376 Q381 | F367-Y379 HydrophobicContact CD2-CD1 4.4Å; F367-Y379 AromaticContact CD2-CE1 3.97Å; F367-Y379 HydrophobicContact CD2-CE1 3.97Å; F367-Y379 HydrophobicContact CE1-CE1 4.36Å; F367-Y379 HydrophobicContact CE2-CD1 4.15Å; F367-Y379 AromaticContact CE2-CE1 3.32Å; F367-Y379 HydrophobicContact CE2-CE1 3.32Å; F367-Y379 HydrophobicContact CZ-CD1 4.41Å; F367-Y379 AromaticContact CZ-CE1 3.55Å; F367-Y379 HydrophobicContact CZ-CE1 3.55Å; V369-Y379 HydrophobicContact CB-CD1 4.34Å; V369-Y379 HydrophobicContact CB-CD2 4.07Å; V369-Y379 HydrophobicContact CB-CE1 4.01Å; V369-Y379 HydrophobicContact CB-CE2 3.69Å; V369-Y379 HydrophobicContact CB-CG 4.36Å; V369-Y379 HydrophobicContact CG2-CD1 4.16Å; V369-Y379 HydrophobicContact CG2-CE1 3.51Å; V369-Y379 HydrophobicContact CG2-CE2 4Å; V369-Y379 WeakPolarHBondContact CG2-OH 3.44Å; E376-Y379 HydrophobicContact CB-CD2 3.56Å; E376-Y379 HydrophobicContact CB-CE2 3.67Å; E376-Y379 WeakPolarHBondContact O-CD2 3.3Å; E376-Y379 PolarHBondContact O-N 2.84Å; Y379-Q381 HydrophobicContact CD1-CB 4.04Å; Y379-Q381 HydrophobicContact CD1-CG 3.78Å; Y379-Q381 HydrophobicContact CE1-CB 4.08Å; Y379-Q381 HydrophobicContact CE1-CG 3.84Å; Y379-Q381 HydrophobicContact CG-CG 4.45Å | ||
| 380 | P | 93.6 | Very high | 88 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | S | Bend | cis | -70.6 | 146.9 | 1.9 | 23.7 | -29.8 | 0 | 0 | 0 | 114.4 | K366 F367 W368 | K366-P380 HydrophobicContact CB-CB 4.27Å; K366-P380 HydrophobicContact CD-CB 4.26Å; K366-P380 HydrophobicContact CD-CG 4.42Å; F367-P380 VanDerWaalsContact O-CA 3.31Å; F367-P380 WeakPolarHBondContact O-CA 3.27Å; W368-P380 HydrophobicContact CD2-CB 3.8Å; W368-P380 VanDerWaalsContact CE2-CB 3.4Å; W368-P380 HydrophobicContact CE3-CB 4.35Å; W368-P380 HydrophobicContact CG-CB 4.21Å; W368-P380 HydrophobicContact CH2-CB 4.07Å; W368-P380 HydrophobicContact CZ2-CB 3.56Å; W368-P380 HydrophobicContact CZ2-CG 3.73Å; W368-P380 HydrophobicContact CZ3-CB 4.43Å |
| 381 | Q | 93.4 | Very high | 87.8 | Confident | 51 Ų | 51 | 63.6 Ų | 63.6 | 24% | 0.238 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 158.8 | 170.6 | -68.5 | -173 | -16.2 | 0 | 0 | 110.3 | K366 F367 G378 Y379 E385 | K366-Q381 VanDerWaalsContact CA-O 3.31Å; K366-Q381 WeakPolarHBondContact CA-O 3.4Å; F367-Q381 HydrophobicContact CD1-CB 4.14Å; F367-Q381 WeakPolarHBondContact CD1-O 3.4Å; F367-Q381 HydrophobicContact CE1-CB 3.49Å; F367-Q381 VanDerWaalsContact CE1-CB 3.49Å; F367-Q381 HydrophobicContact CZ-CB 3.95Å; F367-Q381 PolarHBondContact N-O 2.99Å; F367-Q381 PolarHBondContact O-N 3.42Å; G378-Q381 WeakPolarHBondContact O-CG 3.43Å; Y379-Q381 HydrophobicContact CD1-CB 4.04Å; Y379-Q381 HydrophobicContact CD1-CG 3.78Å; Y379-Q381 HydrophobicContact CE1-CB 4.08Å; Y379-Q381 HydrophobicContact CE1-CG 3.84Å; Y379-Q381 HydrophobicContact CG-CG 4.45Å; Q381-E385 HydrophobicContact CB-CB 4.12Å; Q381-E385 HydrophobicContact CB-CG 4.26Å |
| 382 | S | 93 | Very high | 87.6 | Confident | 45 Ų | 45 | 65 Ų | 65 | 32% | 0.315 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 143.9 | 172 | 178.5 | 0 | 0 | 0 | 0 | 109.7 | D365 F367 M384 E385 | D365-S382 CarbonylContact O-C 3.57Å; D365-S382 WeakPolarHBondContact O-CA 3.29Å; F367-S382 VanDerWaalsContact CE1-O 3.27Å; F367-S382 WeakPolarHBondContact CE1-O 3.45Å; S382-M384 PolarHBondContact O-N 2.81Å; S382-M384 PolarHBondContact OG-N 3.32Å; S382-E385 VanDerWaalsContact O-CB 3.27Å; S382-E385 WeakPolarHBondContact O-CB 3.42Å; S382-E385 PolarHBondContact O-N 3.43Å |
| 383 | L | 91.6 | Very high | 87.7 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.8 | -20.6 | 175.7 | -169.2 | 56.1 | 0 | 0 | 0 | 113 | F362 D365 E385 L386 L390 P391 I395 | F362-L383 HydrophobicContact CD1-CD1 3.91Å; F362-L383 HydrophobicContact CE1-CD1 3.59Å; D365-L383 PolarHBondContact O-N 2.75Å; L383-E385 VanDerWaalsContact C-N 3.32Å; L383-L386 HydrophobicContact CD1-CB 4.22Å; L383-L386 HydrophobicContact CD1-CD2 3.78Å; L383-L386 WeakPolarHBondContact O-CB 3.14Å; L383-L386 PolarHBondContact O-N 2.84Å; L383-L390 HydrophobicContact CD1-CD1 4.05Å; L383-L390 HydrophobicContact CG-CB 4.31Å; L383-L390 HydrophobicContact CG-CD1 4.45Å; L383-P391 WeakPolarHBondContact CD2-O 3.47Å; L383-I395 HydrophobicContact CD1-CG1 4.46Å; L383-I395 HydrophobicContact CD2-CD1 4.02Å; L383-I395 HydrophobicContact CD2-CG1 4.04Å |
| 384 | M | 87.8 | Confident | 88.2 | Confident | 120 Ų | 120 | 68.7 Ų | 68.7 | 59% | 0.591 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -66.7 | -29.9 | 171.9 | -58.9 | -167.1 | -172 | 0 | 0 | 113.5 | S382 L386 K392 | S382-M384 PolarHBondContact O-N 2.81Å; S382-M384 PolarHBondContact OG-N 3.32Å; M384-L386 VanDerWaalsContact C-N 3.32Å; M384-K392 HydrophobicContact CE-CD 3.81Å; M384-K392 HydrophobicContact CE-CG 4.03Å |
| 385 | E | 87.9 | Confident | 88.8 | Confident | 134 Ų | 134 | 62.9 Ų | 62.9 | 63% | 0.626 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -72.6 | -27.2 | 175.7 | -63.6 | -97.3 | 168.7 | 0 | 0 | 111.5 | F367 Q381 S382 L383 | F367-E385 HydrophobicContact CE1-CB 4.34Å; Q381-E385 HydrophobicContact CB-CB 4.12Å; Q381-E385 HydrophobicContact CB-CG 4.26Å; S382-E385 VanDerWaalsContact O-CB 3.27Å; S382-E385 WeakPolarHBondContact O-CB 3.42Å; S382-E385 PolarHBondContact O-N 3.43Å; L383-E385 VanDerWaalsContact C-N 3.32Å |
| 386 | L | 86.4 | Confident | 89.1 | Confident | 13 Ų | 13 | 62.5 Ų | 62.5 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 177.5 | -175.3 | 58.4 | 0 | 0 | 0 | 111 | F362 F367 L383 M384 L390 F409 Y418 | F362-L386 HydrophobicContact CE1-CD2 3.63Å; F362-L386 HydrophobicContact CZ-CD2 3.84Å; F367-L386 HydrophobicContact CD1-CB 4.12Å; F367-L386 HydrophobicContact CD2-CD1 4.32Å; F367-L386 HydrophobicContact CD2-CD2 4.39Å; F367-L386 HydrophobicContact CE1-CB 3.65Å; F367-L386 HydrophobicContact CE2-CB 4.19Å; F367-L386 HydrophobicContact CE2-CD1 3.7Å; F367-L386 HydrophobicContact CE2-CG 4.35Å; F367-L386 HydrophobicContact CG-CD2 4.49Å; F367-L386 HydrophobicContact CZ-CB 3.68Å; F367-L386 HydrophobicContact CZ-CD1 3.92Å; F367-L386 HydrophobicContact CZ-CG 4.3Å; L383-L386 HydrophobicContact CD1-CB 4.22Å; L383-L386 HydrophobicContact CD1-CD2 3.78Å; L383-L386 WeakPolarHBondContact O-CB 3.14Å; L383-L386 PolarHBondContact O-N 2.84Å; M384-L386 VanDerWaalsContact C-N 3.32Å; L386-L390 HydrophobicContact CB-CD1 3.94Å; L386-L390 HydrophobicContact CD2-CD1 3.84Å; L386-L390 HydrophobicContact CG-CD1 3.84Å; L386-F409 HydrophobicContact CD2-CE2 4.43Å; L386-F409 HydrophobicContact CD2-CZ 4.14Å; L386-Y418 HydrophobicContact CD1-CE1 4.46Å; L386-Y418 PolarHBondContact O-OH 3.2Å |
| 387 | G | 82.3 | Confident | 89.2 | Confident | 6 Ų | 6 | 60 Ų | 60 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | trans | 176.3 | 146.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R423 | G387-R423 WeakPolarHBondContact CA-O 3.42Š| ||
| 388 | S | 77.6 | Confident | 89.5 | Confident | 81 Ų | 81 | 54.4 Ų | 54.4 | 57% | 0.566 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 143.4 | 171.1 | -64.2 | 0 | 0 | 0 | 0 | 110.4 | ||
| 389 | F | 83.9 | Confident | 89.6 | Confident | 170 Ų | 170 | 51.8 Ų | 51.8 | 75% | 0.746 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.2 | 12.6 | 178.3 | -49.7 | -82.8 | 0 | 0 | 0 | 117.3 | W416 V425 | F389-W416 PolarHBondContact O-NE1 2.96Å; F389-V425 HydrophobicContact CB-CB 4.25Å; F389-V425 HydrophobicContact CB-CG2 4.32Å |
| 390 | L | 88.8 | Confident | 89.5 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 9% | 0.094 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -76.8 | 154.5 | 165.3 | -70.7 | 174.6 | 0 | 0 | 0 | 111.7 | L383 L386 F409 W416 V425 | L383-L390 HydrophobicContact CD1-CD1 4.05Å; L383-L390 HydrophobicContact CG-CB 4.31Å; L383-L390 HydrophobicContact CG-CD1 4.45Å; L386-L390 HydrophobicContact CB-CD1 3.94Å; L386-L390 HydrophobicContact CD2-CD1 3.84Å; L386-L390 HydrophobicContact CG-CD1 3.84Å; L390-F409 HydrophobicContact CD1-CE2 4.34Å; L390-F409 HydrophobicContact CD2-CD2 3.45Å; L390-F409 VanDerWaalsContact CD2-CD2 3.45Å; L390-F409 HydrophobicContact CD2-CE2 3.81Å; L390-F409 HydrophobicContact CD2-CG 4.48Å; L390-W416 HydrophobicContact CD2-CB 4.44Å; L390-V425 HydrophobicContact CD2-CG2 3.64Å; L390-V425 HydrophobicContact CG-CG2 3.92Å |
| 391 | P | 87.7 | Confident | 88.8 | Confident | 17 Ų | 17 | 48.7 Ų | 48.7 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | trans | -63.6 | 140.4 | 177.1 | 28.6 | -35.8 | 0 | 0 | 0 | 110.5 | L383 I395 K411 W416 | L383-P391 WeakPolarHBondContact CD2-O 3.47Å; P391-I395 HydrophobicContact CG-CD1 3.4Å; P391-I395 VanDerWaalsContact CG-CD1 3.4Å; P391-K411 HydrophobicContact CB-CB 4.43Å; P391-K411 HydrophobicContact CB-CG 4.18Å; P391-K411 HydrophobicContact CG-CB 4.19Å; P391-K411 HydrophobicContact CG-CG 4.37Å; P391-W416 HydrophobicContact CB-CH2 4.1Å; P391-W416 HydrophobicContact CB-CZ2 3.98Å; P391-W416 HydrophobicContact CG-CE3 4.43Å; P391-W416 HydrophobicContact CG-CH2 4.24Å; P391-W416 HydrophobicContact CG-CZ2 4.21Å; P391-W416 HydrophobicContact CG-CZ3 4.35Å | ||
| 392 | K | 85 | Confident | 87.6 | Confident | 143 Ų | 143 | 52.2 Ų | 52.2 | 62% | 0.622 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -25.6 | -174.8 | -62.2 | -177.2 | 179.2 | 179.8 | 0 | 113.4 | D365 M384 G394 | D365-K392 WeakPolarHBondContact CB-O 3.48Å; M384-K392 HydrophobicContact CE-CD 3.81Å; M384-K392 HydrophobicContact CE-CG 4.03Å; K392-G394 VanDerWaalsContact C-N 3.34Å; K392-G394 PolarHBondContact O-N 2.97Å |
| 393 | D | 85.8 | Confident | 86 | Confident | 134 Ų | 134 | 55.4 Ų | 55.4 | 72% | 0.717 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94 | 10.5 | -171.9 | -50.5 | -41.9 | 0 | 0 | 0 | 113.3 | ||
| 394 | G | 92.3 | Very high | 84.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | 103.4 | -176.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | G364 K392 K411 | G364-G394 WeakPolarHBondContact O-CA 2.96Å; K392-G394 VanDerWaalsContact C-N 3.34Å; K392-G394 PolarHBondContact O-N 2.97Å; G394-K411 WeakPolarHBondContact O-CD 3.17Å; G394-K411 WeakPolarHBondContact O-CE 3.43Å | ||
| 395 | I | 96.3 | Very high | 84 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | trans | -122.4 | 130.7 | -172.5 | -53 | -57.2 | 0 | 0 | 0 | 109.1 | D349 A350 F362 L383 P391 A397 A398 F409 | D349-I395 WeakPolarHBondContact CB-O 3.41Å; A350-I395 HydrophobicContact CB-CB 4.3Å; A350-I395 HydrophobicContact CB-CG2 3.97Å; F362-I395 HydrophobicContact CB-CB 4.22Å; F362-I395 HydrophobicContact CD1-CB 4.31Å; F362-I395 HydrophobicContact CD1-CG1 3.77Å; F362-I395 HydrophobicContact CD2-CB 4.3Å; F362-I395 HydrophobicContact CD2-CG1 4.46Å; F362-I395 HydrophobicContact CE1-CG1 4.03Å; F362-I395 HydrophobicContact CG-CB 4.02Å; F362-I395 HydrophobicContact CG-CG1 4Å; F362-I395 HydrophobicContact CZ-CG1 4.46Å; L383-I395 HydrophobicContact CD1-CG1 4.46Å; L383-I395 HydrophobicContact CD2-CD1 4.02Å; L383-I395 HydrophobicContact CD2-CG1 4.04Å; P391-I395 HydrophobicContact CG-CD1 3.4Å; P391-I395 VanDerWaalsContact CG-CD1 3.4Å; I395-A397 WeakPolarHBondContact CG2-O 3.07Å; I395-A398 HydrophobicContact CG2-CB 4.36Å; I395-F409 HydrophobicContact CD1-CB 4.04Å; I395-F409 HydrophobicContact CD1-CG 4.32Å; I395-F409 HydrophobicContact CG2-CB 4.12Å; I395-F409 HydrophobicContact CG2-CD1 4.04Å; I395-F409 HydrophobicContact CG2-CG 4.45Å | ||
| 396 | D | 95.2 | Very high | 83.7 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 18% | 0.176 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -88.5 | -35.7 | -179.9 | -58.4 | -23.5 | 0 | 0 | 0 | 111.8 | F410 K411 G412 P443 Q444 | D396-F410 PolarHBondContact N-O 3.15Å; D396-K411 VanDerWaalsContact CG-CD 3.45Å; D396-K411 VanDerWaalsContact OD1-CD 3.22Å; D396-K411 WeakPolarHBondContact OD1-CD 3.35Å; D396-K411 IonicContact OD1-NZ 3.12Å; D396-K411 PolarHBondContact OD1-NZ 3.17Å; D396-K411 WeakPolarHBondContact OD2-CA 3.35Å; D396-K411 VanDerWaalsContact OD2-CD 3.29Å; D396-K411 WeakPolarHBondContact OD2-CD 3.48Å; D396-K411 IonicContact OD2-NZ 3.28Å; D396-G412 PolarHBondContact OD2-N 3.44Å; D396-P443 CarbonylContact C-O 3.44Å; D396-P443 VanDerWaalsContact CB-O 3.31Å; D396-P443 WeakPolarHBondContact CB-O 3.17Å; D396-Q444 CarbonylContact O-C 3.56Å |
| 397 | A | 95.4 | Very high | 83.9 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 151.9 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | I395 F410 P443 A446 | I395-A397 WeakPolarHBondContact CG2-O 3.07Å; A397-F410 HydrophobicContact CB-CB 4.22Å; A397-F410 HydrophobicContact CB-CD2 4.22Å; A397-F410 PolarHBondContact N-O 3.01Å; A397-F410 PolarHBondContact O-N 3.36Å; A397-P443 HydrophobicContact CB-CB 4.23Å; A397-P443 HydrophobicContact CB-CG 3.95Å; A397-A446 HydrophobicContact CB-CB 3.96Å |
| 398 | A | 95.3 | Very high | 84.3 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.008 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 137.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A350 Y352 F362 I395 Y408 F409 A446 | A350-A398 HydrophobicContact CB-CB 4.36Å; Y352-A398 HydrophobicContact CD1-CB 3.59Å; Y352-A398 HydrophobicContact CE1-CB 4.4Å; Y352-A398 HydrophobicContact CG-CB 4.01Å; F362-A398 HydrophobicContact CD2-CB 4.45Å; F362-A398 HydrophobicContact CE2-CB 4.03Å; I395-A398 HydrophobicContact CG2-CB 4.36Å; A398-Y408 WeakPolarHBondContact CA-O 3.22Å; A398-F409 HydrophobicContact CB-CD1 3.66Å; A398-F409 HydrophobicContact CB-CE1 3.89Å; A398-A446 VanDerWaalsContact O-O 3.08Å |
| 399 | V | 91.6 | Very high | 85.1 | Confident | 3 Ų | 3 | 49.2 Ų | 49.2 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 139.2 | 176.2 | 68.4 | 0 | 0 | 0 | 0 | 110.9 | Y408 F410 A446 T448 T455 | V399-Y408 PolarHBondContact N-O 2.88Å; V399-Y408 PolarHBondContact O-N 2.6Å; V399-F410 HydrophobicContact CG1-CE2 3.97Å; V399-A446 HydrophobicContact CB-CB 3.9Å; V399-A446 HydrophobicContact CG1-CB 4.2Å; V399-T448 HydrophobicContact CG2-CG2 3.75Å; V399-T455 HydrophobicContact CG1-CG2 4.29Å; V399-T455 HydrophobicContact CG2-CG2 4.14Å |
| 400 | R | 87.9 | Confident | 85.6 | Confident | 32 Ų | 32 | 41.1 Ų | 41.1 | 12% | 0.121 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 131.5 | 171.9 | -166.8 | -176.9 | 85.1 | -138.9 | 16.1 | 110 | Y352 E353 R354 S355 E402 | Y352-R400 HydrophobicContact CD2-CB 4.25Å; E353-R400 PolarHBondContact O-NH1 3.18Å; R354-R400 PolarHBondContact O-NH1 2.76Å; S355-R400 VanDerWaalsContact CA-NH1 3.28Å; R400-E402 IonicContact CZ-OE1 3.32Å; R400-E402 IonicContact NH2-OE1 2.62Å; R400-E402 PolarHBondContact NH2-OE1 2.79Å |
| 401 | W | 79.8 | Confident | 85.9 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 6% | 0.064 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 103.6 | 169.1 | -74.7 | 3.5 | 0 | 0 | 0 | 109.5 | V403 F404 G405 K406 Y408 W436 T455 F466 N468 L471 | W401-V403 VanDerWaalsContact C-N 3.31Å; W401-V403 PolarHBondContact O-N 3.5Å; W401-F404 HydrophobicContact CB-CD2 4.26Å; W401-F404 HydrophobicContact CD2-CD2 4.48Å; W401-F404 AromaticContact CE3-CD2 3.62Å; W401-F404 HydrophobicContact CE3-CD2 3.62Å; W401-F404 AromaticContact CE3-CE2 3.97Å; W401-F404 HydrophobicContact CE3-CE2 3.97Å; W401-F404 HydrophobicContact CZ3-CD2 4.29Å; W401-F404 HydrophobicContact CZ3-CE2 4.23Å; W401-F404 PolarHBondContact O-N 2.71Å; W401-F404 VanDerWaalsContact O-N 3.17Å; W401-G405 PolarHBondContact O-N 2.6Å; W401-K406 PolarHBondContact N-O 2.78Å; W401-Y408 HydrophobicContact CB-CD2 4.42Å; W401-Y408 HydrophobicContact CB-CE2 3.95Å; W401-Y408 HydrophobicContact CD2-CD2 4.14Å; W401-Y408 AromaticContact CD2-CE2 3.67Å; W401-Y408 HydrophobicContact CD2-CE2 3.67Å; W401-Y408 AromaticContact CE3-CE2 3.68Å; W401-Y408 HydrophobicContact CE3-CE2 3.68Å; W401-Y408 AromaticContact CE3-CZ 3.81Å; W401-Y408 HydrophobicContact CG-CD2 4.03Å; W401-Y408 AromaticContact CG-CE2 3.76Å; W401-Y408 HydrophobicContact CG-CE2 3.76Å; W401-W436 HydrophobicContact CD2-CH2 4.42Å; W401-W436 AromaticContact CE2-CH2 3.59Å; W401-W436 AromaticContact CE2-CZ3 3.83Å; W401-W436 AromaticContact CH2-CH2 3.74Å; W401-W436 HydrophobicContact CH2-CH2 3.74Å; W401-W436 AromaticContact CH2-CZ3 3.83Å; W401-W436 HydrophobicContact CH2-CZ3 3.83Å; W401-W436 HydrophobicContact CZ2-CE3 4.28Å; W401-W436 AromaticContact CZ2-CH2 3.24Å; W401-W436 HydrophobicContact CZ2-CH2 3.24Å; W401-W436 HydrophobicContact CZ2-CZ2 4.42Å; W401-W436 AromaticContact CZ2-CZ3 3.17Å; W401-W436 HydrophobicContact CZ2-CZ3 3.17Å; W401-W436 HydrophobicContact CZ3-CH2 4.49Å; W401-T455 PolarHBondContact NE1-OG1 2.93Å; W401-F466 HydrophobicContact CH2-CE1 4.13Å; W401-F466 HydrophobicContact CZ2-CD1 4.35Å; W401-F466 HydrophobicContact CZ2-CE1 4.06Å; W401-N468 HydrophobicContact CH2-CB 4.2Å; W401-N468 HydrophobicContact CZ2-CB 4.05Å; W401-N468 WeakPolarHBondContact CZ2-OD1 3.2Å; W401-L471 HydrophobicContact CH2-CD2 3.74Å; W401-L471 HydrophobicContact CZ3-CD2 4.24Å |
| 402 | E | 69.2 | Low | 86.2 | Confident | 126 Ų | 126 | 43.4 Ų | 43.4 | 59% | 0.589 | 23% | 0.225 | S | C | * | . | G | 310 helix | trans | -57.8 | -41.9 | -174.5 | -58.5 | -159.7 | 129.6 | 0 | 0 | 113.1 | R400 F404 G405 | R400-E402 IonicContact CZ-OE1 3.32Å; R400-E402 IonicContact NH2-OE1 2.62Å; R400-E402 PolarHBondContact NH2-OE1 2.79Å; E402-F404 PolarHBondContact O-N 3.07Å; E402-G405 PolarHBondContact O-N 3.15Å |
| 403 | V | 58.9 | Low | 86.5 | Confident | 112 Ų | 112 | 41.3 Ų | 41.3 | 68% | 0.679 | 22% | 0.221 | S | C | * | . | G | 310 helix | trans | -59.7 | -31.9 | -178.7 | -177.8 | 0 | 0 | 0 | 0 | 112.3 | W401 | W401-V403 VanDerWaalsContact C-N 3.31Å; W401-V403 PolarHBondContact O-N 3.5Å |
| 404 | F | 62.8 | Low | 86.8 | Confident | 123 Ų | 123 | 38.7 Ų | 38.7 | 54% | 0.539 | 20% | 0.204 | S | C | . | . | G | 310 helix | trans | -106.4 | -5.4 | -177 | -60.1 | -70.1 | 0 | 0 | 0 | 113.2 | W401 E402 K406 | W401-F404 HydrophobicContact CB-CD2 4.26Å; W401-F404 HydrophobicContact CD2-CD2 4.48Å; W401-F404 AromaticContact CE3-CD2 3.62Å; W401-F404 HydrophobicContact CE3-CD2 3.62Å; W401-F404 AromaticContact CE3-CE2 3.97Å; W401-F404 HydrophobicContact CE3-CE2 3.97Å; W401-F404 HydrophobicContact CZ3-CD2 4.29Å; W401-F404 HydrophobicContact CZ3-CE2 4.23Å; W401-F404 PolarHBondContact O-N 2.71Å; W401-F404 VanDerWaalsContact O-N 3.17Å; E402-F404 PolarHBondContact O-N 3.07Å; F404-K406 WeakPolarHBondContact O-CG 3.17Å; F404-K406 PolarHBondContact O-N 3.49Å; F404-K406 VanDerWaalsContact O-N 3.14Å |
| 405 | G | 73.3 | Confident | 86.7 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 43% | 0.433 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60 | 21.5 | -179 | 0 | 0 | 0 | 0 | 0 | 114.3 | W401 E402 | W401-G405 PolarHBondContact O-N 2.6Å; E402-G405 PolarHBondContact O-N 3.15Å |
| 406 | K | 81.7 | Confident | 86.6 | Confident | 44 Ų | 44 | 39.8 Ų | 39.8 | 19% | 0.191 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 146.4 | -179.7 | -58.8 | -55 | 174.8 | -169.8 | 0 | 111.2 | W401 F404 Y408 R417 N419 | W401-K406 PolarHBondContact N-O 2.78Å; F404-K406 WeakPolarHBondContact O-CG 3.17Å; F404-K406 PolarHBondContact O-N 3.49Å; F404-K406 VanDerWaalsContact O-N 3.14Å; K406-Y408 HydrophobicContact CB-CE2 3.88Å; K406-R417 HydrophobicContact CB-CG 3.89Å; K406-R417 HydrophobicContact CG-CG 4.08Å; K406-N419 VanDerWaalsContact NZ-CG 3.3Å; K406-N419 PolarHBondContact NZ-ND2 2.86Å |
| 407 | T | 91.6 | Very high | 86.2 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 135.9 | 171.9 | -55.8 | 0 | 0 | 0 | 0 | 108.7 | Y352 F409 Y418 E420 | Y352-T407 HydrophobicContact CD2-CG2 3.82Å; Y352-T407 HydrophobicContact CE1-CG2 4.17Å; Y352-T407 HydrophobicContact CE2-CG2 3.38Å; Y352-T407 HydrophobicContact CG-CG2 4.37Å; T407-F409 HydrophobicContact CG2-CD1 4.15Å; T407-F409 HydrophobicContact CG2-CE1 3.53Å; T407-F409 HydrophobicContact CG2-CE2 4.3Å; T407-F409 HydrophobicContact CG2-CZ 3.62Å; T407-Y418 PolarHBondContact N-O 3.45Å; T407-Y418 VanDerWaalsContact N-O 3.08Å; T407-Y418 PolarHBondContact O-N 2.97Å; T407-E420 WeakPolarHBondContact OG1-CG 3.02Å; T407-E420 PolarHBondContact OG1-OE1 3.43Å |
| 408 | Y | 90.1 | Very high | 86 | Confident | 17 Ų | 17 | 42 Ų | 42 | 7% | 0.067 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 124 | 179.2 | -64.6 | -97.2 | 0 | 0 | 0 | 109 | A398 V399 W401 K406 Y415 W416 R417 W436 | A398-Y408 WeakPolarHBondContact CA-O 3.22Å; V399-Y408 PolarHBondContact N-O 2.88Å; V399-Y408 PolarHBondContact O-N 2.6Å; W401-Y408 HydrophobicContact CB-CD2 4.42Å; W401-Y408 HydrophobicContact CB-CE2 3.95Å; W401-Y408 HydrophobicContact CD2-CD2 4.14Å; W401-Y408 AromaticContact CD2-CE2 3.67Å; W401-Y408 HydrophobicContact CD2-CE2 3.67Å; W401-Y408 AromaticContact CE3-CE2 3.68Å; W401-Y408 HydrophobicContact CE3-CE2 3.68Å; W401-Y408 AromaticContact CE3-CZ 3.81Å; W401-Y408 HydrophobicContact CG-CD2 4.03Å; W401-Y408 AromaticContact CG-CE2 3.76Å; W401-Y408 HydrophobicContact CG-CE2 3.76Å; K406-Y408 HydrophobicContact CB-CE2 3.88Å; Y408-Y415 AromaticContact CD1-CD2 3.92Å; Y408-Y415 HydrophobicContact CD1-CD2 3.92Å; Y408-Y415 AromaticContact CD1-CE2 3.87Å; Y408-Y415 HydrophobicContact CD1-CE2 3.87Å; Y408-Y415 HydrophobicContact CE1-CE2 4.13Å; Y408-W416 WeakPolarHBondContact CA-O 3.38Å; Y408-R417 HydrophobicContact CD1-CB 4.21Å; Y408-R417 HydrophobicContact CD1-CG 4.14Å; Y408-R417 HydrophobicContact CE1-CB 4.06Å; Y408-R417 HydrophobicContact CE1-CG 3.67Å; Y408-W436 HydrophobicContact CD1-CH2 4.21Å; Y408-W436 AromaticContact CD1-CZ2 3.58Å; Y408-W436 HydrophobicContact CD1-CZ2 3.58Å; Y408-W436 HydrophobicContact CE1-CZ2 4.02Å; Y408-W436 HydrophobicContact CG-CH2 4.16Å; Y408-W436 AromaticContact CG-CZ2 3.93Å; Y408-W436 HydrophobicContact CG-CZ2 3.93Å |
| 409 | F | 95.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 139.3 | 176.5 | -60.4 | -54.9 | 0 | 0 | 0 | 110.1 | Y352 F362 L386 L390 I395 A398 T407 Y415 W416 Y418 | Y352-F409 HydrophobicContact CD1-CE1 4.2Å; Y352-F409 AromaticContact CE1-CE1 3.64Å; Y352-F409 HydrophobicContact CE1-CE1 3.64Å; Y352-F409 HydrophobicContact CE1-CZ 4.07Å; F362-F409 HydrophobicContact CE2-CD1 4.34Å; F362-F409 AromaticContact CE2-CE1 3.76Å; F362-F409 HydrophobicContact CE2-CE1 3.76Å; F362-F409 HydrophobicContact CZ-CD1 4.26Å; F362-F409 AromaticContact CZ-CE1 3.5Å; F362-F409 HydrophobicContact CZ-CE1 3.5Å; F362-F409 AromaticContact CZ-CZ 3.9Å; F362-F409 HydrophobicContact CZ-CZ 3.9Å; L386-F409 HydrophobicContact CD2-CE2 4.43Å; L386-F409 HydrophobicContact CD2-CZ 4.14Å; L390-F409 HydrophobicContact CD1-CE2 4.34Å; L390-F409 HydrophobicContact CD2-CD2 3.45Å; L390-F409 VanDerWaalsContact CD2-CD2 3.45Å; L390-F409 HydrophobicContact CD2-CE2 3.81Å; L390-F409 HydrophobicContact CD2-CG 4.48Å; I395-F409 HydrophobicContact CD1-CB 4.04Å; I395-F409 HydrophobicContact CD1-CG 4.32Å; I395-F409 HydrophobicContact CG2-CB 4.12Å; I395-F409 HydrophobicContact CG2-CD1 4.04Å; I395-F409 HydrophobicContact CG2-CG 4.45Å; A398-F409 HydrophobicContact CB-CD1 3.66Å; A398-F409 HydrophobicContact CB-CE1 3.89Å; T407-F409 HydrophobicContact CG2-CD1 4.15Å; T407-F409 HydrophobicContact CG2-CE1 3.53Å; T407-F409 HydrophobicContact CG2-CE2 4.3Å; T407-F409 HydrophobicContact CG2-CZ 3.62Å; F409-Y415 CarbonylContact O-C 3.58Å; F409-Y415 WeakPolarHBondContact O-CA 3.45Å; F409-Y415 WeakPolarHBondContact O-CB 3.16Å; F409-W416 HydrophobicContact CB-CB 4.39Å; F409-W416 PolarHBondContact N-O 2.8Å; F409-W416 PolarHBondContact O-N 3.3Å; F409-Y418 HydrophobicContact CD2-CG 4.36Å; F409-Y418 VanDerWaalsContact CE2-CB 3.45Å; F409-Y418 AromaticContact CE2-CD1 3.82Å; F409-Y418 HydrophobicContact CE2-CD1 3.82Å; F409-Y418 HydrophobicContact CE2-CD2 4.14Å; F409-Y418 AromaticContact CE2-CG 3.55Å; F409-Y418 HydrophobicContact CE2-CG 3.55Å; F409-Y418 HydrophobicContact CZ-CD1 4.13Å; F409-Y418 HydrophobicContact CZ-CG 4.32Å |
| 410 | F | 94.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 136 | -178.5 | -59.7 | -95.9 | 0 | 0 | 0 | 109.8 | D396 A397 V399 Y415 I433 W436 P443 F457 | D396-F410 PolarHBondContact N-O 3.15Å; A397-F410 HydrophobicContact CB-CB 4.22Å; A397-F410 HydrophobicContact CB-CD2 4.22Å; A397-F410 PolarHBondContact N-O 3.01Å; A397-F410 PolarHBondContact O-N 3.36Å; V399-F410 HydrophobicContact CG1-CE2 3.97Å; F410-Y415 HydrophobicContact CE1-CG 4.3Å; F410-I433 HydrophobicContact CD1-CD1 3.73Å; F410-I433 HydrophobicContact CD1-CG1 4.06Å; F410-I433 HydrophobicContact CE1-CD1 4.28Å; F410-I433 HydrophobicContact CE1-CG1 4.25Å; F410-W436 AromaticContact CE1-CD1 3.94Å; F410-W436 AromaticContact CE1-CD2 3.94Å; F410-W436 HydrophobicContact CE1-CD2 3.94Å; F410-W436 AromaticContact CE1-CE2 3.63Å; F410-W436 HydrophobicContact CE1-CG 4.16Å; F410-W436 HydrophobicContact CE1-CZ2 4.05Å; F410-W436 AromaticContact CE1-NE1 3.61Å; F410-W436 HydrophobicContact CZ-CD2 4.01Å; F410-W436 AromaticContact CZ-CE2 3.58Å; F410-W436 HydrophobicContact CZ-CE3 4.29Å; F410-W436 AromaticContact CZ-CH2 3.82Å; F410-W436 HydrophobicContact CZ-CH2 3.82Å; F410-W436 AromaticContact CZ-CZ2 3.52Å; F410-W436 HydrophobicContact CZ-CZ2 3.52Å; F410-W436 HydrophobicContact CZ-CZ3 4.17Å; F410-P443 HydrophobicContact CB-CG 3.88Å; F410-P443 HydrophobicContact CD1-CG 4.39Å; F410-P443 HydrophobicContact CG-CG 4.13Å; F410-F457 HydrophobicContact CD1-CE1 4.4Å; F410-F457 HydrophobicContact CD2-CE1 4.31Å; F410-F457 AromaticContact CE1-CE1 3.87Å; F410-F457 HydrophobicContact CE1-CE1 3.87Å; F410-F457 HydrophobicContact CE1-CZ 4.15Å; F410-F457 AromaticContact CE2-CE1 3.79Å; F410-F457 HydrophobicContact CE2-CE1 3.79Å; F410-F457 HydrophobicContact CE2-CZ 4.22Å; F410-F457 AromaticContact CZ-CE1 3.53Å; F410-F457 HydrophobicContact CZ-CE1 3.53Å; F410-F457 AromaticContact CZ-CZ 3.66Å; F410-F457 HydrophobicContact CZ-CZ 3.66Å |
| 411 | K | 95 | Very high | 85.3 | Confident | 60 Ų | 60 | 50 Ų | 50 | 26% | 0.261 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 120.3 | 175.3 | -176.5 | 52.3 | 161.2 | 171.4 | 0 | 109.4 | P391 G394 D396 N413 Q414 W416 | P391-K411 HydrophobicContact CB-CB 4.43Å; P391-K411 HydrophobicContact CB-CG 4.18Å; P391-K411 HydrophobicContact CG-CB 4.19Å; P391-K411 HydrophobicContact CG-CG 4.37Å; G394-K411 WeakPolarHBondContact O-CD 3.17Å; G394-K411 WeakPolarHBondContact O-CE 3.43Å; D396-K411 VanDerWaalsContact CG-CD 3.45Å; D396-K411 VanDerWaalsContact OD1-CD 3.22Å; D396-K411 WeakPolarHBondContact OD1-CD 3.35Å; D396-K411 IonicContact OD1-NZ 3.12Å; D396-K411 PolarHBondContact OD1-NZ 3.17Å; D396-K411 WeakPolarHBondContact OD2-CA 3.35Å; D396-K411 VanDerWaalsContact OD2-CD 3.29Å; D396-K411 WeakPolarHBondContact OD2-CD 3.48Å; D396-K411 IonicContact OD2-NZ 3.28Å; K411-N413 PolarHBondContact O-N 2.87Å; K411-Q414 PolarHBondContact N-O 2.86Å; K411-Q414 PolarHBondContact O-N 3.36Å; K411-W416 HydrophobicContact CB-CH2 3.99Å; K411-W416 HydrophobicContact CB-CZ3 3.59Å |
| 412 | G | 93.1 | Very high | 85.6 | Confident | 23 Ų | 23 | 56.5 Ų | 56.5 | 24% | 0.237 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | -125.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D396 S442 | D396-G412 PolarHBondContact OD2-N 3.44Å; G412-S442 VanDerWaalsContact CA-OG 3.31Å; G412-S442 WeakPolarHBondContact CA-OG 3.32Å; G412-S442 WeakPolarHBondContact O-CA 3.33Å; G412-S442 PolarHBondContact O-N 3.33Å; G412-S442 PolarHBondContact O-OG 2.85Å |
| 413 | N | 91 | Very high | 86.5 | Confident | 100 Ų | 100 | 58 Ų | 58 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 17.5 | 176.4 | 65.8 | -12.2 | 0 | 0 | 0 | 113 | K411 P432 I433 | K411-N413 PolarHBondContact O-N 2.87Å; N413-P432 WeakPolarHBondContact O-CA 3.34Å; N413-I433 HydrophobicContact CB-CG2 4.49Å; N413-I433 PolarHBondContact O-N 3.19Å |
| 414 | Q | 92.2 | Very high | 87.9 | Confident | 78 Ų | 78 | 55.4 Ų | 55.4 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 157.8 | -175.7 | -71.1 | -176.2 | -33 | 0 | 0 | 112.1 | K411 W416 P430 K431 | K411-Q414 PolarHBondContact N-O 2.86Å; K411-Q414 PolarHBondContact O-N 3.36Å; Q414-W416 HydrophobicContact CB-CH2 3.61Å; Q414-W416 HydrophobicContact CB-CZ3 3.64Å; Q414-P430 HydrophobicContact CB-CB 4.14Å; Q414-P430 HydrophobicContact CG-CB 4.46Å; Q414-K431 CarbonylContact C-O 3.59Å; Q414-K431 VanDerWaalsContact CA-O 3.31Å; Q414-K431 WeakPolarHBondContact CA-O 3.27Å |
| 415 | Y | 91.7 | Very high | 89.2 | Confident | 11 Ų | 11 | 50 Ų | 50 | 4% | 0.043 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 153 | 171.9 | 82.8 | -77.5 | 0 | 0 | 0 | 112.4 | Y408 F409 F410 Y429 P430 K431 P432 V435 W436 | Y408-Y415 AromaticContact CD1-CD2 3.92Å; Y408-Y415 HydrophobicContact CD1-CD2 3.92Å; Y408-Y415 AromaticContact CD1-CE2 3.87Å; Y408-Y415 HydrophobicContact CD1-CE2 3.87Å; Y408-Y415 HydrophobicContact CE1-CE2 4.13Å; F409-Y415 CarbonylContact O-C 3.58Å; F409-Y415 WeakPolarHBondContact O-CA 3.45Å; F409-Y415 WeakPolarHBondContact O-CB 3.16Å; F410-Y415 HydrophobicContact CE1-CG 4.3Å; Y415-Y429 HydrophobicContact CD2-CE1 4.15Å; Y415-Y429 HydrophobicContact CE2-CD1 4.24Å; Y415-Y429 AromaticContact CE2-CE1 3.48Å; Y415-Y429 HydrophobicContact CE2-CE1 3.48Å; Y415-Y429 VanDerWaalsContact CE2-CE1 3.48Å; Y415-Y429 AromaticContact CZ-CE1 3.69Å; Y415-P430 VanDerWaalsContact O-CA 3.28Å; Y415-P430 WeakPolarHBondContact O-CA 3.44Å; Y415-K431 HydrophobicContact CD1-CB 3.95Å; Y415-K431 VanDerWaalsContact CD1-O 3.23Å; Y415-K431 WeakPolarHBondContact CD1-O 3.47Å; Y415-K431 HydrophobicContact CE1-CB 3.32Å; Y415-K431 PolarHBondContact N-O 3.05Å; Y415-K431 PolarHBondContact O-N 3.38Å; Y415-P432 WeakPolarHBondContact CD1-O 3.31Å; Y415-P432 WeakPolarHBondContact CE1-O 3.47Å; Y415-V435 HydrophobicContact CE1-CB 3.96Å; Y415-V435 HydrophobicContact CE1-CG1 4.5Å; Y415-V435 HydrophobicContact CE1-CG2 4.16Å; Y415-W436 AromaticContact CD1-CD1 3.78Å; Y415-W436 AromaticContact CD1-NE1 3.47Å; Y415-W436 HydrophobicContact CD2-CZ2 4.18Å; Y415-W436 AromaticContact CD2-NE1 3.29Å; Y415-W436 VanDerWaalsContact CD2-NE1 3.29Å; Y415-W436 AromaticContact CE1-CD1 3.82Å; Y415-W436 AromaticContact CE1-NE1 3.5Å; Y415-W436 HydrophobicContact CE2-CZ2 4.13Å; Y415-W436 AromaticContact CE2-NE1 3.28Å; Y415-W436 VanDerWaalsContact CE2-NE1 3.28Å; Y415-W436 AromaticContact CG-NE1 3.38Å; Y415-W436 AromaticContact CZ-NE1 3.42Å |
| 416 | W | 92.8 | Very high | 89.8 | Confident | 13 Ų | 13 | 49 Ų | 49 | 5% | 0.049 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 137.8 | -179.7 | -68.1 | -110 | 0 | 0 | 0 | 109.1 | F389 L390 P391 Y408 F409 K411 Q414 V425 P430 | F389-W416 PolarHBondContact O-NE1 2.96Å; L390-W416 HydrophobicContact CD2-CB 4.44Å; P391-W416 HydrophobicContact CB-CH2 4.1Å; P391-W416 HydrophobicContact CB-CZ2 3.98Å; P391-W416 HydrophobicContact CG-CE3 4.43Å; P391-W416 HydrophobicContact CG-CH2 4.24Å; P391-W416 HydrophobicContact CG-CZ2 4.21Å; P391-W416 HydrophobicContact CG-CZ3 4.35Å; Y408-W416 WeakPolarHBondContact CA-O 3.38Å; F409-W416 HydrophobicContact CB-CB 4.39Å; F409-W416 PolarHBondContact N-O 2.8Å; F409-W416 PolarHBondContact O-N 3.3Å; K411-W416 HydrophobicContact CB-CH2 3.99Å; K411-W416 HydrophobicContact CB-CZ3 3.59Å; Q414-W416 HydrophobicContact CB-CH2 3.61Å; Q414-W416 HydrophobicContact CB-CZ3 3.64Å; W416-V425 HydrophobicContact CB-CG1 4.36Å; W416-P430 HydrophobicContact CD2-CB 3.87Å; W416-P430 VanDerWaalsContact CE2-CB 3.47Å; W416-P430 HydrophobicContact CE3-CB 4.38Å; W416-P430 HydrophobicContact CG-CB 4.33Å; W416-P430 HydrophobicContact CH2-CB 4.08Å; W416-P430 HydrophobicContact CZ2-CB 3.6Å; W416-P430 HydrophobicContact CZ2-CG 3.75Å; W416-P430 HydrophobicContact CZ3-CB 4.43Å |
| 417 | R | 86.9 | Confident | 89.9 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 115.3 | 168.8 | -168.9 | 174.1 | 73.5 | -167.7 | 1.4 | 108.9 | K406 Y408 D426 Y429 | K406-R417 HydrophobicContact CB-CG 3.89Å; K406-R417 HydrophobicContact CG-CG 4.08Å; Y408-R417 HydrophobicContact CD1-CB 4.21Å; Y408-R417 HydrophobicContact CD1-CG 4.14Å; Y408-R417 HydrophobicContact CE1-CB 4.06Å; Y408-R417 HydrophobicContact CE1-CG 3.67Å; R417-D426 IonicContact CZ-OD2 3.2Å; R417-D426 IonicContact NE-OD2 2.74Å; R417-D426 PolarHBondContact NE-OD2 2.88Å; R417-D426 IonicContact NH2-OD2 2.84Å; R417-D426 PolarHBondContact NH2-OD2 2.83Å; R417-D426 PolarHBondContact O-N 3.38Å; R417-Y429 HydrophobicContact CB-CD1 3.92Å; R417-Y429 HydrophobicContact CB-CD2 3.92Å; R417-Y429 HydrophobicContact CB-CE1 3.56Å; R417-Y429 HydrophobicContact CB-CE2 3.56Å; R417-Y429 HydrophobicContact CB-CG 4.09Å; R417-Y429 HydrophobicContact CG-CE2 4.47Å; R417-Y429 PolarHBondContact NH1-OH 3.23Å |
| 418 | Y | 91.6 | Very high | 89.3 | Confident | 2 Ų | 2 | 55.6 Ų | 55.6 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 135.9 | -174.3 | 178.2 | -104.5 | 0 | 0 | 0 | 111 | L386 T407 F409 E420 R423 T424 V425 | L386-Y418 HydrophobicContact CD1-CE1 4.46Å; L386-Y418 PolarHBondContact O-OH 3.2Å; T407-Y418 PolarHBondContact N-O 3.45Å; T407-Y418 VanDerWaalsContact N-O 3.08Å; T407-Y418 PolarHBondContact O-N 2.97Å; F409-Y418 HydrophobicContact CD2-CG 4.36Å; F409-Y418 VanDerWaalsContact CE2-CB 3.45Å; F409-Y418 AromaticContact CE2-CD1 3.82Å; F409-Y418 HydrophobicContact CE2-CD1 3.82Å; F409-Y418 HydrophobicContact CE2-CD2 4.14Å; F409-Y418 AromaticContact CE2-CG 3.55Å; F409-Y418 HydrophobicContact CE2-CG 3.55Å; F409-Y418 HydrophobicContact CZ-CD1 4.13Å; F409-Y418 HydrophobicContact CZ-CG 4.32Å; Y418-E420 HydrophobicContact CD1-CG 4.2Å; Y418-E420 HydrophobicContact CE1-CG 4.13Å; Y418-R423 VanDerWaalsContact OH-CA 3.27Å; Y418-R423 WeakPolarHBondContact OH-CA 3.27Å; Y418-T424 WeakPolarHBondContact CD2-O 3.28Å; Y418-V425 HydrophobicContact CD2-CG2 4.43Å |
| 419 | N | 88 | Confident | 89.2 | Confident | 8 Ų | 8 | 56.4 Ų | 56.4 | 4% | 0.043 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 105.4 | 177.4 | -173.2 | -24.9 | 0 | 0 | 0 | 109.5 | K406 E421 K422 R423 T424 | K406-N419 VanDerWaalsContact NZ-CG 3.3Å; K406-N419 PolarHBondContact NZ-ND2 2.86Å; N419-E421 VanDerWaalsContact C-N 3.32Å; N419-E421 PolarHBondContact O-N 2.72Å; N419-E421 PolarHBondContact OD1-N 3.08Å; N419-K422 HydrophobicContact CB-CB 4.37Å; N419-K422 PolarHBondContact O-N 2.78Å; N419-K422 PolarHBondContact OD1-N 2.79Å; N419-R423 WeakPolarHBondContact O-CA 3.46Å; N419-R423 PolarHBondContact O-N 2.87Å; N419-T424 WeakPolarHBondContact CB-O 3.44Å; N419-T424 PolarHBondContact N-O 3.19Å; N419-T424 PolarHBondContact O-N 3.3Å |
| 420 | E | 86.7 | Confident | 89.1 | Confident | 18 Ų | 18 | 59 Ų | 59 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -36.8 | -178.3 | -67.7 | -75.1 | 166.1 | 0 | 0 | 113.1 | Y352 R354 T407 Y418 | Y352-E420 WeakPolarHBondContact CE2-OE1 3.47Å; Y352-E420 PolarHBondContact OH-OE1 3.01Å; R354-E420 WeakPolarHBondContact CD-OE2 3.34Å; R354-E420 IonicContact CZ-OE2 2.71Å; R354-E420 IonicContact NE-OE2 2.78Å; R354-E420 PolarHBondContact NE-OE2 3.34Å; T407-E420 WeakPolarHBondContact OG1-CG 3.02Å; T407-E420 PolarHBondContact OG1-OE1 3.43Å; Y418-E420 HydrophobicContact CD1-CG 4.2Å; Y418-E420 HydrophobicContact CE1-CG 4.13Å |
| 421 | E | 84.9 | Confident | 88.5 | Confident | 180 Ų | 180 | 63 Ų | 63 | 84% | 0.841 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -43.2 | -178 | -63.2 | 176.6 | 174.5 | 0 | 0 | 111.6 | N419 | N419-E421 VanDerWaalsContact C-N 3.32Å; N419-E421 PolarHBondContact O-N 2.72Å; N419-E421 PolarHBondContact OD1-N 3.08Å |
| 422 | K | 86.3 | Confident | 87.8 | Confident | 152 Ų | 152 | 63.6 Ų | 63.6 | 66% | 0.661 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.4 | -13.6 | -180 | -61.5 | -172.3 | 179.3 | -177.7 | 0 | 112.9 | N419 T424 | N419-K422 HydrophobicContact CB-CB 4.37Å; N419-K422 PolarHBondContact O-N 2.78Å; N419-K422 PolarHBondContact OD1-N 2.79Å; K422-T424 VanDerWaalsContact C-N 3.29Å; K422-T424 HydrophobicContact CB-CG2 3.99Å; K422-T424 WeakPolarHBondContact O-CG2 3.29Å; K422-T424 PolarHBondContact O-N 3.42Å |
| 423 | R | 87.8 | Confident | 87.5 | Confident | 159 Ų | 159 | 62.6 Ų | 62.6 | 60% | 0.6 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 42.8 | -169.9 | -60 | -174.8 | 175.3 | -178.8 | -1.4 | 113.6 | G387 Y418 N419 | G387-R423 WeakPolarHBondContact CA-O 3.42Å; Y418-R423 VanDerWaalsContact OH-CA 3.27Å; Y418-R423 WeakPolarHBondContact OH-CA 3.27Å; N419-R423 WeakPolarHBondContact O-CA 3.46Å; N419-R423 PolarHBondContact O-N 2.87Å |
| 424 | T | 89.2 | Confident | 87.1 | Confident | 56 Ų | 56 | 62.2 Ų | 62.2 | 34% | 0.344 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 156.1 | 178.9 | 98.5 | 0 | 0 | 0 | 0 | 111.6 | Y418 N419 K422 | Y418-T424 WeakPolarHBondContact CD2-O 3.28Å; N419-T424 WeakPolarHBondContact CB-O 3.44Å; N419-T424 PolarHBondContact N-O 3.19Å; N419-T424 PolarHBondContact O-N 3.3Å; K422-T424 VanDerWaalsContact C-N 3.29Å; K422-T424 HydrophobicContact CB-CG2 3.99Å; K422-T424 WeakPolarHBondContact O-CG2 3.29Å; K422-T424 PolarHBondContact O-N 3.42Å |
| 425 | V | 90.9 | Very high | 86.4 | Confident | 11 Ų | 11 | 61.9 Ų | 61.9 | 7% | 0.067 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 139.8 | 164.3 | 179.6 | 0 | 0 | 0 | 0 | 109 | F389 L390 W416 Y418 | F389-V425 HydrophobicContact CB-CB 4.25Å; F389-V425 HydrophobicContact CB-CG2 4.32Å; L390-V425 HydrophobicContact CD2-CG2 3.64Å; L390-V425 HydrophobicContact CG-CG2 3.92Å; W416-V425 HydrophobicContact CB-CG1 4.36Å; Y418-V425 HydrophobicContact CD2-CG2 4.43Å |
| 426 | D | 84.1 | Confident | 86 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 11% | 0.107 | 33% | 0.33 | C | S | . | . | P | Polyproline II helix | trans | -67.2 | 148.5 | 175.9 | -82.1 | -11.3 | 0 | 0 | 0 | 111.1 | R417 G428 Y429 | R417-D426 IonicContact CZ-OD2 3.2Å; R417-D426 IonicContact NE-OD2 2.74Å; R417-D426 PolarHBondContact NE-OD2 2.88Å; R417-D426 IonicContact NH2-OD2 2.84Å; R417-D426 PolarHBondContact NH2-OD2 2.83Å; R417-D426 PolarHBondContact O-N 3.38Å; D426-G428 PolarHBondContact O-N 2.94Å; D426-Y429 HydrophobicContact CB-CD2 3.96Å; D426-Y429 HydrophobicContact CB-CE2 4.14Å; D426-Y429 WeakPolarHBondContact O-CD2 3.41Å |
| 427 | P | 84.8 | Confident | 85.5 | Confident | 123 Ų | 123 | 65.5 Ų | 65.5 | 80% | 0.799 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 139.8 | 176.2 | -24.7 | 34.2 | 0 | 0 | 0 | 112.8 | ||
| 428 | G | 79.3 | Confident | 85.4 | Confident | 60 Ų | 60 | 64 Ų | 64 | 62% | 0.619 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.6 | 13.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.2 | D426 K431 | D426-G428 PolarHBondContact O-N 2.94Å; G428-K431 WeakPolarHBondContact O-CE 3.31Å; G428-K431 WeakPolarHBondContact O-CG 3.43Å |
| 429 | Y | 87.4 | Confident | 85.4 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 13% | 0.133 | 36% | 0.363 | C | S | . | . | trans | -112.7 | 152.6 | 169.7 | -71.1 | -90.1 | 0 | 0 | 0 | 110.5 | Y415 R417 D426 K431 | Y415-Y429 HydrophobicContact CD2-CE1 4.15Å; Y415-Y429 HydrophobicContact CE2-CD1 4.24Å; Y415-Y429 AromaticContact CE2-CE1 3.48Å; Y415-Y429 HydrophobicContact CE2-CE1 3.48Å; Y415-Y429 VanDerWaalsContact CE2-CE1 3.48Å; Y415-Y429 AromaticContact CZ-CE1 3.69Å; R417-Y429 HydrophobicContact CB-CD1 3.92Å; R417-Y429 HydrophobicContact CB-CD2 3.92Å; R417-Y429 HydrophobicContact CB-CE1 3.56Å; R417-Y429 HydrophobicContact CB-CE2 3.56Å; R417-Y429 HydrophobicContact CB-CG 4.09Å; R417-Y429 HydrophobicContact CG-CE2 4.47Å; R417-Y429 PolarHBondContact NH1-OH 3.23Å; D426-Y429 HydrophobicContact CB-CD2 3.96Å; D426-Y429 HydrophobicContact CB-CE2 4.14Å; D426-Y429 WeakPolarHBondContact O-CD2 3.41Å; Y429-K431 HydrophobicContact CD1-CB 4.18Å; Y429-K431 HydrophobicContact CD1-CD 4.37Å; Y429-K431 HydrophobicContact CD1-CG 3.93Å; Y429-K431 HydrophobicContact CE1-CB 4.25Å; Y429-K431 HydrophobicContact CE1-CD 3.93Å; Y429-K431 HydrophobicContact CE1-CG 3.98Å | ||
| 430 | P | 92.3 | Very high | 85.6 | Confident | 53 Ų | 53 | 65.1 Ų | 65.1 | 34% | 0.344 | 37% | 0.368 | S | S | . | . | cis | -69.5 | 155.6 | 4.7 | 24.3 | -31 | 0 | 0 | 0 | 114.8 | Q414 Y415 W416 | Q414-P430 HydrophobicContact CB-CB 4.14Å; Q414-P430 HydrophobicContact CG-CB 4.46Å; Y415-P430 VanDerWaalsContact O-CA 3.28Å; Y415-P430 WeakPolarHBondContact O-CA 3.44Å; W416-P430 HydrophobicContact CD2-CB 3.87Å; W416-P430 VanDerWaalsContact CE2-CB 3.47Å; W416-P430 HydrophobicContact CE3-CB 4.38Å; W416-P430 HydrophobicContact CG-CB 4.33Å; W416-P430 HydrophobicContact CH2-CB 4.08Å; W416-P430 HydrophobicContact CZ2-CB 3.6Å; W416-P430 HydrophobicContact CZ2-CG 3.75Å; W416-P430 HydrophobicContact CZ3-CB 4.43Å | ||
| 431 | K | 82.3 | Confident | 85.8 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 37% | 0.374 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 155.7 | 170.9 | -74.2 | -167.1 | 179.2 | -160.6 | 0 | 110.2 | Q414 Y415 G428 Y429 | Q414-K431 CarbonylContact C-O 3.59Å; Q414-K431 VanDerWaalsContact CA-O 3.31Å; Q414-K431 WeakPolarHBondContact CA-O 3.27Å; Y415-K431 HydrophobicContact CD1-CB 3.95Å; Y415-K431 VanDerWaalsContact CD1-O 3.23Å; Y415-K431 WeakPolarHBondContact CD1-O 3.47Å; Y415-K431 HydrophobicContact CE1-CB 3.32Å; Y415-K431 PolarHBondContact N-O 3.05Å; Y415-K431 PolarHBondContact O-N 3.38Å; G428-K431 WeakPolarHBondContact O-CE 3.31Å; G428-K431 WeakPolarHBondContact O-CG 3.43Å; Y429-K431 HydrophobicContact CD1-CB 4.18Å; Y429-K431 HydrophobicContact CD1-CD 4.37Å; Y429-K431 HydrophobicContact CD1-CG 3.93Å; Y429-K431 HydrophobicContact CE1-CB 4.25Å; Y429-K431 HydrophobicContact CE1-CD 3.93Å; Y429-K431 HydrophobicContact CE1-CG 3.98Å |
| 432 | P | 81 | Confident | 86.2 | Confident | 71 Ų | 71 | 61.7 Ų | 61.7 | 46% | 0.461 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 143.6 | 175.2 | 28.3 | -34.9 | 0 | 0 | 0 | 110.7 | N413 Y415 S434 V435 | N413-P432 WeakPolarHBondContact O-CA 3.34Å; Y415-P432 WeakPolarHBondContact CD1-O 3.31Å; Y415-P432 WeakPolarHBondContact CE1-O 3.47Å; P432-S434 PolarHBondContact O-N 2.88Å; P432-V435 WeakPolarHBondContact O-CG2 3.11Å; P432-V435 PolarHBondContact O-N 3.35Å |
| 433 | I | 87.4 | Confident | 86.5 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.015 | 33% | 0.327 | C | S | . | . | G | 310 helix | trans | -65.2 | -16.6 | 178.8 | -163.1 | 170.9 | 0 | 0 | 0 | 112.3 | F410 N413 V435 W436 V439 P440 D441 P443 | F410-I433 HydrophobicContact CD1-CD1 3.73Å; F410-I433 HydrophobicContact CD1-CG1 4.06Å; F410-I433 HydrophobicContact CE1-CD1 4.28Å; F410-I433 HydrophobicContact CE1-CG1 4.25Å; N413-I433 HydrophobicContact CB-CG2 4.49Å; N413-I433 PolarHBondContact O-N 3.19Å; I433-V435 PolarHBondContact O-N 3.03Å; I433-W436 HydrophobicContact CG1-CB 4.4Å; I433-W436 HydrophobicContact CG1-CG 4.49Å; I433-W436 WeakPolarHBondContact O-CA 3.2Å; I433-W436 VanDerWaalsContact O-CB 3.25Å; I433-W436 WeakPolarHBondContact O-CB 3.32Å; I433-W436 PolarHBondContact O-N 2.97Å; I433-V439 HydrophobicContact CD1-CG1 4.15Å; I433-P440 WeakPolarHBondContact CD1-O 3.12Å; I433-D441 WeakPolarHBondContact CG2-OD1 3.37Å; I433-P443 HydrophobicContact CD1-CG 4.19Å |
| 434 | S | 81.1 | Confident | 86.8 | Confident | 91 Ų | 91 | 49.3 Ų | 49.3 | 64% | 0.636 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -58.3 | -14.6 | 174 | 58.7 | 0 | 0 | 0 | 0 | 114.8 | P432 W436 | P432-S434 PolarHBondContact O-N 2.88Å; S434-W436 PolarHBondContact O-N 2.95Å |
| 435 | V | 77.4 | Confident | 87 | Confident | 71 Ų | 71 | 46.7 Ų | 46.7 | 43% | 0.43 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -64.3 | -28.1 | 168 | 178.8 | 0 | 0 | 0 | 0 | 111.6 | Y415 P432 I433 D437 | Y415-V435 HydrophobicContact CE1-CB 3.96Å; Y415-V435 HydrophobicContact CE1-CG1 4.5Å; Y415-V435 HydrophobicContact CE1-CG2 4.16Å; P432-V435 WeakPolarHBondContact O-CG2 3.11Å; P432-V435 PolarHBondContact O-N 3.35Å; I433-V435 PolarHBondContact O-N 3.03Å; V435-D437 VanDerWaalsContact C-N 3.32Å; V435-D437 PolarHBondContact O-N 2.99Å |
| 436 | W | 84.3 | Confident | 87.1 | Confident | 7 Ų | 7 | 46.3 Ų | 46.3 | 3% | 0.027 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -88 | 74.5 | 172.2 | -57.8 | 78.1 | 0 | 0 | 0 | 108.5 | W401 Y408 F410 Y415 I433 S434 G438 V439 F457 F466 | W401-W436 HydrophobicContact CD2-CH2 4.42Å; W401-W436 AromaticContact CE2-CH2 3.59Å; W401-W436 AromaticContact CE2-CZ3 3.83Å; W401-W436 AromaticContact CH2-CH2 3.74Å; W401-W436 HydrophobicContact CH2-CH2 3.74Å; W401-W436 AromaticContact CH2-CZ3 3.83Å; W401-W436 HydrophobicContact CH2-CZ3 3.83Å; W401-W436 HydrophobicContact CZ2-CE3 4.28Å; W401-W436 AromaticContact CZ2-CH2 3.24Å; W401-W436 HydrophobicContact CZ2-CH2 3.24Å; W401-W436 HydrophobicContact CZ2-CZ2 4.42Å; W401-W436 AromaticContact CZ2-CZ3 3.17Å; W401-W436 HydrophobicContact CZ2-CZ3 3.17Å; W401-W436 HydrophobicContact CZ3-CH2 4.49Å; Y408-W436 HydrophobicContact CD1-CH2 4.21Å; Y408-W436 AromaticContact CD1-CZ2 3.58Å; Y408-W436 HydrophobicContact CD1-CZ2 3.58Å; Y408-W436 HydrophobicContact CE1-CZ2 4.02Å; Y408-W436 HydrophobicContact CG-CH2 4.16Å; Y408-W436 AromaticContact CG-CZ2 3.93Å; Y408-W436 HydrophobicContact CG-CZ2 3.93Å; F410-W436 AromaticContact CE1-CD1 3.94Å; F410-W436 AromaticContact CE1-CD2 3.94Å; F410-W436 HydrophobicContact CE1-CD2 3.94Å; F410-W436 AromaticContact CE1-CE2 3.63Å; F410-W436 HydrophobicContact CE1-CG 4.16Å; F410-W436 HydrophobicContact CE1-CZ2 4.05Å; F410-W436 AromaticContact CE1-NE1 3.61Å; F410-W436 HydrophobicContact CZ-CD2 4.01Å; F410-W436 AromaticContact CZ-CE2 3.58Å; F410-W436 HydrophobicContact CZ-CE3 4.29Å; F410-W436 AromaticContact CZ-CH2 3.82Å; F410-W436 HydrophobicContact CZ-CH2 3.82Å; F410-W436 AromaticContact CZ-CZ2 3.52Å; F410-W436 HydrophobicContact CZ-CZ2 3.52Å; F410-W436 HydrophobicContact CZ-CZ3 4.17Å; Y415-W436 AromaticContact CD1-CD1 3.78Å; Y415-W436 AromaticContact CD1-NE1 3.47Å; Y415-W436 HydrophobicContact CD2-CZ2 4.18Å; Y415-W436 AromaticContact CD2-NE1 3.29Å; Y415-W436 VanDerWaalsContact CD2-NE1 3.29Å; Y415-W436 AromaticContact CE1-CD1 3.82Å; Y415-W436 AromaticContact CE1-NE1 3.5Å; Y415-W436 HydrophobicContact CE2-CZ2 4.13Å; Y415-W436 AromaticContact CE2-NE1 3.28Å; Y415-W436 VanDerWaalsContact CE2-NE1 3.28Å; Y415-W436 AromaticContact CG-NE1 3.38Å; Y415-W436 AromaticContact CZ-NE1 3.42Å; I433-W436 HydrophobicContact CG1-CB 4.4Å; I433-W436 HydrophobicContact CG1-CG 4.49Å; I433-W436 WeakPolarHBondContact O-CA 3.2Å; I433-W436 VanDerWaalsContact O-CB 3.25Å; I433-W436 WeakPolarHBondContact O-CB 3.32Å; I433-W436 PolarHBondContact O-N 2.97Å; S434-W436 PolarHBondContact O-N 2.95Å; W436-G438 PolarHBondContact O-N 2.85Å; W436-V439 HydrophobicContact CB-CB 3.88Å; W436-V439 HydrophobicContact CB-CG2 3.77Å; W436-V439 WeakPolarHBondContact O-CB 3.33Å; W436-V439 PolarHBondContact O-N 2.79Å; W436-F457 HydrophobicContact CD2-CZ 4.23Å; W436-F457 AromaticContact CE3-CE2 3.78Å; W436-F457 HydrophobicContact CE3-CE2 3.78Å; W436-F457 AromaticContact CE3-CZ 3.51Å; W436-F457 HydrophobicContact CE3-CZ 3.51Å; W436-F457 HydrophobicContact CH2-CZ 4.43Å; W436-F457 AromaticContact CZ3-CE2 3.98Å; W436-F457 HydrophobicContact CZ3-CE2 3.98Å; W436-F457 AromaticContact CZ3-CZ 3.59Å; W436-F457 HydrophobicContact CZ3-CZ 3.59Å; W436-F466 HydrophobicContact CB-CE2 4.08Å; W436-F466 HydrophobicContact CB-CZ 4.3Å; W436-F466 HydrophobicContact CD2-CE1 4.5Å; W436-F466 HydrophobicContact CD2-CZ 4.3Å; W436-F466 AromaticContact CE3-CD1 3.88Å; W436-F466 HydrophobicContact CE3-CD1 3.88Å; W436-F466 AromaticContact CE3-CE1 3.5Å; W436-F466 HydrophobicContact CE3-CE1 3.5Å; W436-F466 HydrophobicContact CE3-CE2 4.19Å; W436-F466 HydrophobicContact CE3-CG 4.34Å; W436-F466 AromaticContact CE3-CZ 3.66Å; W436-F466 HydrophobicContact CE3-CZ 3.66Å; W436-F466 HydrophobicContact CZ3-CD1 4.03Å; W436-F466 AromaticContact CZ3-CE1 3.79Å; W436-F466 HydrophobicContact CZ3-CE1 3.79Å; W436-F466 HydrophobicContact CZ3-CZ 4.38Å |
| 437 | D | 81.6 | Confident | 87.4 | Confident | 94 Ų | 94 | 45.6 Ų | 45.6 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | B | Isolated β-bridge | trans | -54.2 | 125.3 | -171.9 | -178.5 | 41.1 | 0 | 0 | 0 | 112.1 | V435 T472 V473 | V435-D437 VanDerWaalsContact C-N 3.32Å; V435-D437 PolarHBondContact O-N 2.99Å; D437-T472 CarbonylContact O-C 3.57Å; D437-T472 WeakPolarHBondContact O-CA 3.48Å; D437-T472 PolarHBondContact OD2-OG1 2.99Å; D437-V473 WeakPolarHBondContact O-CG2 3.3Å; D437-V473 PolarHBondContact O-N 2.82Å |
| 438 | G | 85.7 | Confident | 87.5 | Confident | 44 Ų | 44 | 40.9 Ų | 40.9 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | -6.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | W436 W464 V473 | W436-G438 PolarHBondContact O-N 2.85Å; G438-W464 VanDerWaalsContact O-CD1 3.26Å; G438-V473 WeakPolarHBondContact O-CG2 3.25Å |
| 439 | V | 90.5 | Very high | 87.3 | Confident | 14 Ų | 14 | 40.1 Ų | 40.1 | 9% | 0.085 | 24% | 0.24 | C | C | . | . | P | Polyproline II helix | trans | -79.4 | 135.4 | 175.5 | 178 | 0 | 0 | 0 | 0 | 110 | I433 W436 F457 F466 V473 | I433-V439 HydrophobicContact CD1-CG1 4.15Å; W436-V439 HydrophobicContact CB-CB 3.88Å; W436-V439 HydrophobicContact CB-CG2 3.77Å; W436-V439 WeakPolarHBondContact O-CB 3.33Å; W436-V439 PolarHBondContact O-N 2.79Å; V439-F457 HydrophobicContact CB-CD2 4.48Å; V439-F457 HydrophobicContact CG1-CB 4.08Å; V439-F457 HydrophobicContact CG1-CD1 3.7Å; V439-F457 HydrophobicContact CG1-CD2 3.92Å; V439-F457 HydrophobicContact CG1-CE1 4.06Å; V439-F457 HydrophobicContact CG1-CE2 4.26Å; V439-F457 HydrophobicContact CG1-CG 3.62Å; V439-F457 HydrophobicContact CG1-CZ 4.32Å; V439-F457 HydrophobicContact CG2-CD2 3.63Å; V439-F457 HydrophobicContact CG2-CE2 3.75Å; V439-F457 HydrophobicContact CG2-CG 4.2Å; V439-F457 HydrophobicContact CG2-CZ 4.4Å; V439-F466 HydrophobicContact CG2-CB 4.45Å; V439-F466 HydrophobicContact CG2-CD2 3.63Å; V439-F466 HydrophobicContact CG2-CE2 4.17Å; V439-F466 HydrophobicContact CG2-CG 4.28Å; V439-V473 HydrophobicContact CG2-CG2 3.88Å |
| 440 | P | 92.6 | Very high | 86.2 | Confident | 21 Ų | 21 | 47.9 Ų | 47.9 | 14% | 0.136 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 150.8 | 179.3 | 31.1 | -38.4 | 0 | 0 | 0 | 111.9 | I433 R459 W464 | I433-P440 WeakPolarHBondContact CD1-O 3.12Å; P440-R459 HydrophobicContact CG-CB 4.27Å; P440-W464 HydrophobicContact CB-CH2 4.32Å; P440-W464 HydrophobicContact CB-CZ2 4.16Å; P440-W464 HydrophobicContact CG-CD2 3.87Å; P440-W464 HydrophobicContact CG-CE3 3.72Å; P440-W464 HydrophobicContact CG-CH2 3.81Å; P440-W464 HydrophobicContact CG-CZ2 3.88Å; P440-W464 HydrophobicContact CG-CZ3 3.72Å |
| 441 | D | 91.3 | Very high | 85.1 | Confident | 84 Ų | 84 | 53 Ų | 53 | 45% | 0.449 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -56.6 | 149.8 | 167.4 | -64.9 | -39.5 | 0 | 0 | 0 | 111 | I433 R459 | I433-D441 WeakPolarHBondContact CG2-OD1 3.37Å; D441-R459 WeakPolarHBondContact O-CD 3.25Å; D441-R459 PolarHBondContact O-NE 3.17Å; D441-R459 PolarHBondContact O-NH1 3.32Å |
| 442 | S | 92.2 | Very high | 84.6 | Confident | 42 Ų | 42 | 49.7 Ų | 49.7 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 50.1 | 57.8 | 175.4 | -46 | 0 | 0 | 0 | 0 | 113.9 | G412 | G412-S442 VanDerWaalsContact CA-OG 3.31Å; G412-S442 WeakPolarHBondContact CA-OG 3.32Å; G412-S442 WeakPolarHBondContact O-CA 3.33Å; G412-S442 PolarHBondContact O-N 3.33Å; G412-S442 PolarHBondContact O-OG 2.85Å |
| 443 | P | 94.2 | Very high | 84.4 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -61.9 | 142.7 | 173.9 | 28.6 | -34.5 | 0 | 0 | 0 | 110.1 | D396 A397 F410 I433 F457 | D396-P443 CarbonylContact C-O 3.44Å; D396-P443 VanDerWaalsContact CB-O 3.31Å; D396-P443 WeakPolarHBondContact CB-O 3.17Å; A397-P443 HydrophobicContact CB-CB 4.23Å; A397-P443 HydrophobicContact CB-CG 3.95Å; F410-P443 HydrophobicContact CB-CG 3.88Å; F410-P443 HydrophobicContact CD1-CG 4.39Å; F410-P443 HydrophobicContact CG-CG 4.13Å; I433-P443 HydrophobicContact CD1-CG 4.19Å; P443-F457 HydrophobicContact CB-CD1 3.95Å; P443-F457 HydrophobicContact CG-CD1 4.14Å | ||
| 444 | Q | 93.4 | Very high | 84.5 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 24% | 0.238 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -91.6 | -11.8 | 179.4 | -65.1 | 180 | -88.7 | 0 | 0 | 112.7 | F303 T305 D396 Y458 | F303-Q444 PolarHBondContact O-NE2 3.42Å; T305-Q444 VanDerWaalsContact CA-O 3.27Å; T305-Q444 WeakPolarHBondContact CA-O 3.16Å; T305-Q444 VanDerWaalsContact CB-O 3.3Å; T305-Q444 WeakPolarHBondContact CB-O 3.14Å; T305-Q444 PolarHBondContact OG1-O 3.42Å; D396-Q444 CarbonylContact O-C 3.56Å; Q444-Y458 HydrophobicContact CB-CD1 3.91Å; Q444-Y458 HydrophobicContact CB-CE1 3.98Å; Q444-Y458 PolarHBondContact N-O 2.95Å |
| 445 | G | 92.5 | Very high | 84.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 150.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | F457 Y458 | G445-F457 WeakPolarHBondContact O-CA 3.4Å; G445-Y458 PolarHBondContact N-O 2.81Å; G445-Y458 PolarHBondContact O-N 2.89Å |
| 446 | A | 93.1 | Very high | 85.6 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 3% | 0.025 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 131.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | A397 A398 V399 F456 F457 | A397-A446 HydrophobicContact CB-CB 3.96Å; A398-A446 VanDerWaalsContact O-O 3.08Å; V399-A446 HydrophobicContact CB-CB 3.9Å; V399-A446 HydrophobicContact CG1-CB 4.2Å; A446-F456 CarbonylContact C-O 3.59Å; A446-F456 VanDerWaalsContact CA-O 3.28Å; A446-F456 WeakPolarHBondContact CA-O 3.14Å; A446-F457 HydrophobicContact CB-CD1 3.82Å; A446-F457 HydrophobicContact CB-CE1 3.77Å |
| 447 | F | 91.7 | Very high | 86.1 | Confident | 5 Ų | 5 | 47 Ų | 47 | 2% | 0.022 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 157.5 | -179.9 | 62.7 | -90.6 | 0 | 0 | 0 | 112.5 | V306 F308 L313 F456 W485 | V306-F447 HydrophobicContact CB-CD1 4.5Å; V306-F447 HydrophobicContact CB-CE1 4.38Å; V306-F447 HydrophobicContact CG1-CD1 4.09Å; V306-F447 HydrophobicContact CG1-CE1 3.83Å; F308-F447 HydrophobicContact CB-CB 3.66Å; F308-F447 HydrophobicContact CB-CD2 3.97Å; F308-F447 HydrophobicContact CB-CG 4.11Å; F308-F447 HydrophobicContact CD2-CD2 4.48Å; F308-F447 HydrophobicContact CG-CD2 4.47Å; L313-F447 HydrophobicContact CD1-CD1 4.3Å; L313-F447 HydrophobicContact CD1-CD2 3.98Å; L313-F447 HydrophobicContact CD1-CE1 4.04Å; L313-F447 HydrophobicContact CD1-CE2 3.69Å; L313-F447 HydrophobicContact CD1-CG 4.28Å; L313-F447 HydrophobicContact CD1-CZ 3.73Å; F447-F456 HydrophobicContact CD1-CB 4.37Å; F447-F456 HydrophobicContact CD2-CB 4.16Å; F447-F456 HydrophobicContact CD2-CD2 4.26Å; F447-F456 HydrophobicContact CE1-CB 3.97Å; F447-F456 HydrophobicContact CE2-CB 3.74Å; F447-F456 AromaticContact CE2-CD2 3.93Å; F447-F456 HydrophobicContact CE2-CD2 3.93Å; F447-F456 HydrophobicContact CE2-CG 4.01Å; F447-F456 HydrophobicContact CG-CB 4.46Å; F447-F456 HydrophobicContact CZ-CB 3.63Å; F447-F456 HydrophobicContact CZ-CG 4.22Å; F447-F456 PolarHBondContact N-O 3.02Å; F447-F456 PolarHBondContact O-N 2.91Å; F447-W485 HydrophobicContact CE2-CE3 4.4Å; F447-W485 AromaticContact CE2-CH2 3.49Å; F447-W485 HydrophobicContact CE2-CH2 3.49Å; F447-W485 VanDerWaalsContact CE2-CH2 3.49Å; F447-W485 AromaticContact CE2-CZ2 3.89Å; F447-W485 HydrophobicContact CE2-CZ2 3.89Å; F447-W485 AromaticContact CE2-CZ3 3.76Å; F447-W485 HydrophobicContact CE2-CZ3 3.76Å; F447-W485 HydrophobicContact CZ-CD2 4.33Å; F447-W485 HydrophobicContact CZ-CE3 4.33Å; F447-W485 AromaticContact CZ-CH2 3.92Å; F447-W485 HydrophobicContact CZ-CH2 3.92Å; F447-W485 AromaticContact CZ-CZ2 3.91Å; F447-W485 HydrophobicContact CZ-CZ2 3.91Å; F447-W485 HydrophobicContact CZ-CZ3 4.13Å |
| 448 | T | 85.9 | Confident | 86.7 | Confident | 25 Ų | 25 | 42.6 Ų | 42.6 | 15% | 0.153 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 143.7 | 178.1 | 52.8 | 0 | 0 | 0 | 0 | 110.2 | F308 V399 T455 | F308-T448 WeakPolarHBondContact CD1-O 3.34Å; V399-T448 HydrophobicContact CG2-CG2 3.75Å; T448-T455 HydrophobicContact CG2-CG2 4.4Å |
| 449 | T | 74.9 | Confident | 87.1 | Confident | 44 Ų | 44 | 45.3 Ų | 45.3 | 27% | 0.27 | 21% | 0.211 | S | C | . | . | trans | -89.7 | 173.9 | 174.8 | 57.5 | 0 | 0 | 0 | 0 | 111.9 | K451 G452 F456 W485 | T449-K451 PolarHBondContact O-N 2.86Å; T449-G452 PolarHBondContact O-N 2.76Å; T449-F456 HydrophobicContact CG2-CD2 4.09Å; T449-F456 HydrophobicContact CG2-CE2 3.56Å; T449-F456 HydrophobicContact CG2-CZ 4.39Å; T449-W485 HydrophobicContact CG2-CH2 3.94Å | ||
| 450 | R | 65.4 | Low | 87.1 | Confident | 196 Ų | 196 | 45.8 Ų | 45.8 | 74% | 0.74 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -38.7 | -31.9 | -173.8 | -88.5 | -174.9 | 179 | -156.7 | 1.6 | 117.7 | N311 | N311-R450 HydrophobicContact CB-CG 4.43Å; N311-R450 PolarHBondContact ND2-NE 3Å; N311-R450 VanDerWaalsContact ND2-NE 3.18Å; N311-R450 WeakPolarHBondContact OD1-CG 3.44Å |
| 451 | K | 68.4 | Low | 87 | Confident | 162 Ų | 162 | 50.7 Ų | 50.7 | 70% | 0.704 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | -8.1 | -175.6 | -62.7 | -172.7 | 176.2 | -177.4 | 0 | 114 | T449 Y453 | T449-K451 PolarHBondContact O-N 2.86Å; K451-Y453 HydrophobicContact CB-CD2 3.48Å; K451-Y453 VanDerWaalsContact CB-CD2 3.48Å; K451-Y453 HydrophobicContact CB-CE2 3.61Å; K451-Y453 HydrophobicContact CB-CG 4.41Å; K451-Y453 HydrophobicContact CD-CD2 4.25Å; K451-Y453 HydrophobicContact CD-CE2 4.03Å; K451-Y453 HydrophobicContact CG-CD2 4.48Å; K451-Y453 HydrophobicContact CG-CE2 4.33Å; K451-Y453 PolarHBondContact O-N 2.65Å |
| 452 | G | 71.3 | Confident | 87.1 | Confident | 15 Ų | 15 | 51.1 Ų | 51.1 | 16% | 0.155 | 24% | 0.238 | C | C | . | . | trans | 65.1 | 0.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | T449 H454 N468 | T449-G452 PolarHBondContact O-N 2.76Å; G452-H454 VanDerWaalsContact C-N 3.34Å; G452-H454 PolarHBondContact O-N 2.94Å; G452-N468 PolarHBondContact O-ND2 3.16Å | ||
| 453 | Y | 78.6 | Confident | 87.2 | Confident | 129 Ų | 129 | 49.7 Ų | 49.7 | 51% | 0.506 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -72.8 | -25.1 | -178.4 | -59.9 | -54.1 | 0 | 0 | 0 | 114 | K451 N468 | K451-Y453 HydrophobicContact CB-CD2 3.48Å; K451-Y453 VanDerWaalsContact CB-CD2 3.48Å; K451-Y453 HydrophobicContact CB-CE2 3.61Å; K451-Y453 HydrophobicContact CB-CG 4.41Å; K451-Y453 HydrophobicContact CD-CD2 4.25Å; K451-Y453 HydrophobicContact CD-CE2 4.03Å; K451-Y453 HydrophobicContact CG-CD2 4.48Å; K451-Y453 HydrophobicContact CG-CE2 4.33Å; K451-Y453 PolarHBondContact O-N 2.65Å; Y453-N468 WeakPolarHBondContact O-CB 3.45Å; Y453-N468 PolarHBondContact O-N 3.37Å |
| 454 | H | 87.6 | Confident | 87.3 | Confident | 43 Ų | 43 | 51 Ų | 51 | 20% | 0.199 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 140.9 | -178.7 | -53.8 | 93.5 | 0 | 0 | 0 | 110.8 | G452 F456 K465 F466 E474 | G452-H454 VanDerWaalsContact C-N 3.34Å; G452-H454 PolarHBondContact O-N 2.94Å; H454-F456 HydrophobicContact CB-CE2 4.17Å; H454-F456 HydrophobicContact CB-CZ 4.29Å; H454-K465 HydrophobicContact CB-CG 4.08Å; H454-K465 WeakPolarHBondContact CD2-CE 3.32Å; H454-F466 CarbonylContact C-O 3.54Å; H454-F466 WeakPolarHBondContact CA-O 3.25Å; H454-E474 IonicContact CD2-OE1 3.6Å; H454-E474 IonicContact NE2-OE1 3.14Å; H454-E474 PolarHBondContact NE2-OE1 2.88Å; H454-E474 VanDerWaalsContact NE2-OE1 3.14Å |
| 455 | T | 89.6 | Confident | 87.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.5 | 169 | -56 | 0 | 0 | 0 | 0 | 108.8 | V399 W401 T448 F457 F466 N468 | V399-T455 HydrophobicContact CG1-CG2 4.29Å; V399-T455 HydrophobicContact CG2-CG2 4.14Å; W401-T455 PolarHBondContact NE1-OG1 2.93Å; T448-T455 HydrophobicContact CG2-CG2 4.4Å; T455-F457 HydrophobicContact CG2-CD2 4.09Å; T455-F457 HydrophobicContact CG2-CE2 3.53Å; T455-F457 HydrophobicContact CG2-CZ 3.8Å; T455-F466 PolarHBondContact N-O 3.16Å; T455-F466 WeakPolarHBondContact O-CA 3.41Å; T455-F466 VanDerWaalsContact O-CB 3.31Å; T455-F466 WeakPolarHBondContact O-CB 3.16Å; T455-F466 PolarHBondContact O-N 2.77Å; T455-N468 WeakPolarHBondContact CB-OD1 3.43Å; T455-N468 PolarHBondContact N-OD1 2.93Å; T455-N468 PolarHBondContact OG1-ND2 2.71Å; T455-N468 VanDerWaalsContact OG1-ND2 3.16Å; T455-N468 PolarHBondContact OG1-OD1 3.49Å |
| 456 | F | 93.9 | Very high | 87.2 | Confident | 16 Ų | 16 | 50.3 Ų | 50.3 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 122.1 | 176.4 | -61.6 | -88.5 | 0 | 0 | 0 | 108.8 | A446 F447 T449 H454 Y463 W464 K465 W485 | A446-F456 CarbonylContact C-O 3.59Å; A446-F456 VanDerWaalsContact CA-O 3.28Å; A446-F456 WeakPolarHBondContact CA-O 3.14Å; F447-F456 HydrophobicContact CD1-CB 4.37Å; F447-F456 HydrophobicContact CD2-CB 4.16Å; F447-F456 HydrophobicContact CD2-CD2 4.26Å; F447-F456 HydrophobicContact CE1-CB 3.97Å; F447-F456 HydrophobicContact CE2-CB 3.74Å; F447-F456 AromaticContact CE2-CD2 3.93Å; F447-F456 HydrophobicContact CE2-CD2 3.93Å; F447-F456 HydrophobicContact CE2-CG 4.01Å; F447-F456 HydrophobicContact CG-CB 4.46Å; F447-F456 HydrophobicContact CZ-CB 3.63Å; F447-F456 HydrophobicContact CZ-CG 4.22Å; F447-F456 PolarHBondContact N-O 3.02Å; F447-F456 PolarHBondContact O-N 2.91Å; T449-F456 HydrophobicContact CG2-CD2 4.09Å; T449-F456 HydrophobicContact CG2-CE2 3.56Å; T449-F456 HydrophobicContact CG2-CZ 4.39Å; H454-F456 HydrophobicContact CB-CE2 4.17Å; H454-F456 HydrophobicContact CB-CZ 4.29Å; F456-Y463 AromaticContact CD1-CD2 3.84Å; F456-Y463 HydrophobicContact CD1-CD2 3.84Å; F456-Y463 AromaticContact CD1-CE2 3.76Å; F456-Y463 HydrophobicContact CD1-CE2 3.76Å; F456-Y463 HydrophobicContact CE1-CE2 4.09Å; F456-W464 CarbonylContact C-O 3.58Å; F456-W464 WeakPolarHBondContact CA-O 3.31Å; F456-K465 HydrophobicContact CD1-CB 3.98Å; F456-K465 HydrophobicContact CD1-CG 4.05Å; F456-K465 HydrophobicContact CE1-CB 3.81Å; F456-K465 HydrophobicContact CE1-CD 3.69Å; F456-K465 HydrophobicContact CE1-CG 3.5Å; F456-K465 HydrophobicContact CZ-CD 4.04Å; F456-K465 HydrophobicContact CZ-CG 3.99Å; F456-W485 HydrophobicContact CD1-CH2 4.5Å; F456-W485 AromaticContact CD1-CZ2 3.67Å; F456-W485 HydrophobicContact CD1-CZ2 3.67Å; F456-W485 HydrophobicContact CD2-CH2 4.28Å; F456-W485 HydrophobicContact CD2-CZ2 4.21Å; F456-W485 HydrophobicContact CE1-CH2 4.44Å; F456-W485 AromaticContact CE1-CZ2 3.73Å; F456-W485 HydrophobicContact CE1-CZ2 3.73Å; F456-W485 HydrophobicContact CE2-CH2 4.28Å; F456-W485 HydrophobicContact CE2-CZ2 4.31Å; F456-W485 HydrophobicContact CG-CH2 4.39Å; F456-W485 AromaticContact CG-CZ2 3.89Å; F456-W485 HydrophobicContact CG-CZ2 3.89Å; F456-W485 HydrophobicContact CZ-CH2 4.33Å; F456-W485 HydrophobicContact CZ-CZ2 4.06Å |
| 457 | F | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 139.7 | 173.9 | -70.3 | -88.9 | 0 | 0 | 0 | 109.6 | F410 W436 V439 P443 G445 A446 T455 Y463 W464 F466 | F410-F457 HydrophobicContact CD1-CE1 4.4Å; F410-F457 HydrophobicContact CD2-CE1 4.31Å; F410-F457 AromaticContact CE1-CE1 3.87Å; F410-F457 HydrophobicContact CE1-CE1 3.87Å; F410-F457 HydrophobicContact CE1-CZ 4.15Å; F410-F457 AromaticContact CE2-CE1 3.79Å; F410-F457 HydrophobicContact CE2-CE1 3.79Å; F410-F457 HydrophobicContact CE2-CZ 4.22Å; F410-F457 AromaticContact CZ-CE1 3.53Å; F410-F457 HydrophobicContact CZ-CE1 3.53Å; F410-F457 AromaticContact CZ-CZ 3.66Å; F410-F457 HydrophobicContact CZ-CZ 3.66Å; W436-F457 HydrophobicContact CD2-CZ 4.23Å; W436-F457 AromaticContact CE3-CE2 3.78Å; W436-F457 HydrophobicContact CE3-CE2 3.78Å; W436-F457 AromaticContact CE3-CZ 3.51Å; W436-F457 HydrophobicContact CE3-CZ 3.51Å; W436-F457 HydrophobicContact CH2-CZ 4.43Å; W436-F457 AromaticContact CZ3-CE2 3.98Å; W436-F457 HydrophobicContact CZ3-CE2 3.98Å; W436-F457 AromaticContact CZ3-CZ 3.59Å; W436-F457 HydrophobicContact CZ3-CZ 3.59Å; V439-F457 HydrophobicContact CB-CD2 4.48Å; V439-F457 HydrophobicContact CG1-CB 4.08Å; V439-F457 HydrophobicContact CG1-CD1 3.7Å; V439-F457 HydrophobicContact CG1-CD2 3.92Å; V439-F457 HydrophobicContact CG1-CE1 4.06Å; V439-F457 HydrophobicContact CG1-CE2 4.26Å; V439-F457 HydrophobicContact CG1-CG 3.62Å; V439-F457 HydrophobicContact CG1-CZ 4.32Å; V439-F457 HydrophobicContact CG2-CD2 3.63Å; V439-F457 HydrophobicContact CG2-CE2 3.75Å; V439-F457 HydrophobicContact CG2-CG 4.2Å; V439-F457 HydrophobicContact CG2-CZ 4.4Å; P443-F457 HydrophobicContact CB-CD1 3.95Å; P443-F457 HydrophobicContact CG-CD1 4.14Å; G445-F457 WeakPolarHBondContact O-CA 3.4Å; A446-F457 HydrophobicContact CB-CD1 3.82Å; A446-F457 HydrophobicContact CB-CE1 3.77Å; T455-F457 HydrophobicContact CG2-CD2 4.09Å; T455-F457 HydrophobicContact CG2-CE2 3.53Å; T455-F457 HydrophobicContact CG2-CZ 3.8Å; F457-Y463 CarbonylContact O-C 3.49Å; F457-Y463 WeakPolarHBondContact O-CA 3.31Å; F457-Y463 WeakPolarHBondContact O-CB 3.49Å; F457-W464 HydrophobicContact CB-CB 4.43Å; F457-W464 PolarHBondContact N-O 3.34Å; F457-W464 PolarHBondContact O-N 2.78Å; F457-F466 HydrophobicContact CD2-CB 4.03Å; F457-F466 HydrophobicContact CE2-CB 3.89Å; F457-F466 HydrophobicContact CE2-CG 4.16Å |
| 458 | Y | 94.1 | Very high | 86.2 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 135.8 | -178.1 | 163.8 | -111.1 | 0 | 0 | 0 | 111 | F303 V306 Q444 G445 G460 E462 I481 | F303-Y458 HydrophobicContact CB-CE1 3.89Å; F303-Y458 HydrophobicContact CD2-CE1 4.19Å; F303-Y458 HydrophobicContact CD2-CE2 4.19Å; F303-Y458 AromaticContact CD2-CZ 3.68Å; F303-Y458 WeakPolarHBondContact CD2-OH 3.25Å; F303-Y458 PolarHBondContact N-OH 2.86Å; V306-Y458 HydrophobicContact CG2-CD1 3.9Å; V306-Y458 HydrophobicContact CG2-CE1 4.16Å; V306-Y458 HydrophobicContact CG2-CG 4.3Å; Q444-Y458 HydrophobicContact CB-CD1 3.91Å; Q444-Y458 HydrophobicContact CB-CE1 3.98Å; Q444-Y458 PolarHBondContact N-O 2.95Å; G445-Y458 PolarHBondContact N-O 2.81Å; G445-Y458 PolarHBondContact O-N 2.89Å; Y458-G460 WeakPolarHBondContact CE2-O 3.42Å; Y458-G460 VanDerWaalsContact CZ-O 3.23Å; Y458-G460 PolarHBondContact OH-O 2.97Å; Y458-E462 VanDerWaalsContact CD2-O 3.27Å; Y458-E462 WeakPolarHBondContact CD2-O 3.3Å; Y458-I481 HydrophobicContact CD2-CB 4.27Å; Y458-I481 HydrophobicContact CD2-CD1 3.38Å; Y458-I481 HydrophobicContact CD2-CG1 4.4Å; Y458-I481 HydrophobicContact CD2-CG2 4.02Å; Y458-I481 HydrophobicContact CE2-CB 4.46Å; Y458-I481 HydrophobicContact CE2-CD1 3.98Å; Y458-I481 HydrophobicContact CE2-CG2 3.71Å; Y458-I481 HydrophobicContact CG-CD1 3.87Å |
| 459 | R | 93.3 | Very high | 85.7 | Confident | 101 Ų | 101 | 57.3 Ų | 57.3 | 38% | 0.381 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 125.3 | 171.1 | -167.1 | 176.5 | 177.9 | -165.6 | -5.2 | 110.5 | P440 D441 K461 E462 W464 | P440-R459 HydrophobicContact CG-CB 4.27Å; D441-R459 WeakPolarHBondContact O-CD 3.25Å; D441-R459 PolarHBondContact O-NE 3.17Å; D441-R459 PolarHBondContact O-NH1 3.32Å; R459-K461 PolarHBondContact O-N 2.85Å; R459-K461 VanDerWaalsContact O-N 3.15Å; R459-E462 PolarHBondContact N-O 3.14Å; R459-E462 PolarHBondContact O-N 2.96Å; R459-E462 VanDerWaalsContact O-O 3.11Å; R459-W464 HydrophobicContact CB-CH2 4.07Å; R459-W464 HydrophobicContact CB-CZ3 3.69Å |
| 460 | G | 89.8 | Confident | 85.8 | Confident | 25 Ų | 25 | 62.5 Ų | 62.5 | 26% | 0.258 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | -106 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y458 | Y458-G460 WeakPolarHBondContact CE2-O 3.42Å; Y458-G460 VanDerWaalsContact CZ-O 3.23Å; Y458-G460 PolarHBondContact OH-O 2.97Å |
| 461 | K | 90.7 | Very high | 86.4 | Confident | 124 Ų | 124 | 57.1 Ų | 57.1 | 54% | 0.539 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 6.3 | 174.6 | -65.2 | -174.6 | 178.3 | -175.5 | 0 | 112.2 | R459 I481 L482 | R459-K461 PolarHBondContact O-N 2.85Å; R459-K461 VanDerWaalsContact O-N 3.15Å; K461-I481 PolarHBondContact O-N 3.49Å; K461-I481 VanDerWaalsContact O-N 3.07Å; K461-L482 HydrophobicContact CD-CD1 4.29Å; K461-L482 HydrophobicContact CG-CD1 4.41Å |
| 462 | E | 93.9 | Very high | 87 | Confident | 93 Ų | 93 | 51.5 Ų | 51.5 | 44% | 0.435 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 153.1 | -169 | -68.5 | 179.2 | 144 | 0 | 0 | 110.9 | Y458 R459 W464 P478 K479 | Y458-E462 VanDerWaalsContact CD2-O 3.27Å; Y458-E462 WeakPolarHBondContact CD2-O 3.3Å; R459-E462 PolarHBondContact N-O 3.14Å; R459-E462 PolarHBondContact O-N 2.96Å; R459-E462 VanDerWaalsContact O-O 3.11Å; E462-W464 HydrophobicContact CB-CH2 3.54Å; E462-W464 HydrophobicContact CB-CZ2 4.32Å; E462-W464 HydrophobicContact CB-CZ3 3.72Å; E462-W464 WeakPolarHBondContact O-CZ3 3.31Å; E462-P478 HydrophobicContact CB-CB 3.87Å; E462-P478 HydrophobicContact CG-CB 4.19Å; E462-K479 CarbonylContact C-O 3.56Å; E462-K479 VanDerWaalsContact CA-O 3.25Å; E462-K479 WeakPolarHBondContact CA-O 3.23Å |
| 463 | Y | 95.2 | Very high | 87.9 | Confident | 12 Ų | 12 | 51.7 Ų | 51.7 | 5% | 0.047 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.6 | 170.1 | 81.8 | -79.4 | 0 | 0 | 0 | 111.4 | F456 F457 Y477 P478 K479 I481 D484 W485 | F456-Y463 AromaticContact CD1-CD2 3.84Å; F456-Y463 HydrophobicContact CD1-CD2 3.84Å; F456-Y463 AromaticContact CD1-CE2 3.76Å; F456-Y463 HydrophobicContact CD1-CE2 3.76Å; F456-Y463 HydrophobicContact CE1-CE2 4.09Å; F457-Y463 CarbonylContact O-C 3.49Å; F457-Y463 WeakPolarHBondContact O-CA 3.31Å; F457-Y463 WeakPolarHBondContact O-CB 3.49Å; Y463-Y477 HydrophobicContact CD2-CD1 4.45Å; Y463-Y477 HydrophobicContact CD2-CE1 4.13Å; Y463-Y477 HydrophobicContact CE1-CE1 4.49Å; Y463-Y477 HydrophobicContact CE2-CD1 4.14Å; Y463-Y477 AromaticContact CE2-CE1 3.41Å; Y463-Y477 HydrophobicContact CE2-CE1 3.41Å; Y463-Y477 VanDerWaalsContact CE2-CE1 3.41Å; Y463-Y477 AromaticContact CZ-CE1 3.61Å; Y463-Y477 WeakPolarHBondContact O-CD1 3.26Å; Y463-P478 WeakPolarHBondContact O-CA 3.48Å; Y463-K479 HydrophobicContact CD1-CB 4.07Å; Y463-K479 WeakPolarHBondContact CD1-O 3.37Å; Y463-K479 HydrophobicContact CE1-CB 3.44Å; Y463-K479 VanDerWaalsContact CE1-CB 3.44Å; Y463-K479 PolarHBondContact N-O 3.07Å; Y463-K479 PolarHBondContact O-N 2.95Å; Y463-I481 HydrophobicContact CD1-CB 4.06Å; Y463-I481 HydrophobicContact CD1-CG1 4.47Å; Y463-D484 HydrophobicContact CE1-CB 3.85Å; Y463-D484 PolarHBondContact OH-OD2 3.32Å; Y463-W485 AromaticContact CD1-CD1 3.9Å; Y463-W485 AromaticContact CD1-NE1 3.82Å; Y463-W485 AromaticContact CD2-NE1 3.53Å; Y463-W485 AromaticContact CE1-CD1 3.71Å; Y463-W485 AromaticContact CE1-NE1 3.56Å; Y463-W485 HydrophobicContact CE2-CZ2 4.4Å; Y463-W485 AromaticContact CE2-NE1 3.23Å; Y463-W485 AromaticContact CG-NE1 3.8Å; Y463-W485 AromaticContact CZ-CD1 3.88Å; Y463-W485 AromaticContact CZ-NE1 3.27Å; Y463-W485 VanDerWaalsContact CZ-NE1 3.27Å |
| 464 | W | 95.8 | Very high | 88.5 | Confident | 26 Ų | 26 | 47.9 Ų | 47.9 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131 | -179.9 | -65.8 | -108.9 | 0 | 0 | 0 | 108.8 | G438 P440 F456 F457 R459 E462 V473 P478 | G438-W464 VanDerWaalsContact O-CD1 3.26Å; P440-W464 HydrophobicContact CB-CH2 4.32Å; P440-W464 HydrophobicContact CB-CZ2 4.16Å; P440-W464 HydrophobicContact CG-CD2 3.87Å; P440-W464 HydrophobicContact CG-CE3 3.72Å; P440-W464 HydrophobicContact CG-CH2 3.81Å; P440-W464 HydrophobicContact CG-CZ2 3.88Å; P440-W464 HydrophobicContact CG-CZ3 3.72Å; F456-W464 CarbonylContact C-O 3.58Å; F456-W464 WeakPolarHBondContact CA-O 3.31Å; F457-W464 HydrophobicContact CB-CB 4.43Å; F457-W464 PolarHBondContact N-O 3.34Å; F457-W464 PolarHBondContact O-N 2.78Å; R459-W464 HydrophobicContact CB-CH2 4.07Å; R459-W464 HydrophobicContact CB-CZ3 3.69Å; E462-W464 HydrophobicContact CB-CH2 3.54Å; E462-W464 HydrophobicContact CB-CZ2 4.32Å; E462-W464 HydrophobicContact CB-CZ3 3.72Å; E462-W464 WeakPolarHBondContact O-CZ3 3.31Å; W464-V473 HydrophobicContact CB-CG1 4.25Å; W464-V473 HydrophobicContact CB-CG2 4.08Å; W464-P478 HydrophobicContact CD2-CB 4.05Å; W464-P478 HydrophobicContact CG-CB 4.49Å; W464-P478 HydrophobicContact CH2-CB 4.23Å; W464-P478 HydrophobicContact CZ2-CB 3.69Å; W464-P478 HydrophobicContact CZ2-CG 3.92Å |
| 465 | K | 94.3 | Very high | 88.7 | Confident | 36 Ų | 36 | 52 Ų | 52 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 111.7 | 173.1 | -176.9 | 178.6 | 168.1 | -144.6 | 0 | 109.1 | H454 F456 V473 E474 Y477 | H454-K465 HydrophobicContact CB-CG 4.08Å; H454-K465 WeakPolarHBondContact CD2-CE 3.32Å; F456-K465 HydrophobicContact CD1-CB 3.98Å; F456-K465 HydrophobicContact CD1-CG 4.05Å; F456-K465 HydrophobicContact CE1-CB 3.81Å; F456-K465 HydrophobicContact CE1-CD 3.69Å; F456-K465 HydrophobicContact CE1-CG 3.5Å; F456-K465 HydrophobicContact CZ-CD 4.04Å; F456-K465 HydrophobicContact CZ-CG 3.99Å; K465-V473 WeakPolarHBondContact O-CA 3.42Å; K465-E474 VanDerWaalsContact CD-OE2 3.23Å; K465-E474 WeakPolarHBondContact CD-OE2 3.48Å; K465-E474 WeakPolarHBondContact CE-OE1 3.47Å; K465-E474 VanDerWaalsContact CE-OE2 3.3Å; K465-E474 WeakPolarHBondContact CE-OE2 3.32Å; K465-E474 IonicContact NZ-OE1 3.98Å; K465-E474 PolarHBondContact NZ-OE1 3.04Å; K465-E474 IonicContact NZ-OE2 2.65Å; K465-E474 PolarHBondContact NZ-OE2 3.29Å; K465-E474 PolarHBondContact O-N 2.84Å; K465-Y477 HydrophobicContact CB-CD1 3.97Å; K465-Y477 HydrophobicContact CB-CD2 3.92Å; K465-Y477 HydrophobicContact CB-CE1 3.55Å; K465-Y477 HydrophobicContact CB-CE2 3.49Å; K465-Y477 VanDerWaalsContact CB-CE2 3.49Å; K465-Y477 HydrophobicContact CB-CG 4.15Å; K465-Y477 HydrophobicContact CD-CE2 4.01Å; K465-Y477 VanDerWaalsContact CD-OH 3.26Å; K465-Y477 WeakPolarHBondContact CD-OH 3.28Å; K465-Y477 HydrophobicContact CG-CE2 4.32Å |
| 466 | F | 88.6 | Confident | 88.7 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 128.7 | -179.3 | -173.8 | -96.9 | 0 | 0 | 0 | 110.6 | W401 W436 V439 H454 T455 F457 L471 V473 | W401-F466 HydrophobicContact CH2-CE1 4.13Å; W401-F466 HydrophobicContact CZ2-CD1 4.35Å; W401-F466 HydrophobicContact CZ2-CE1 4.06Å; W436-F466 HydrophobicContact CB-CE2 4.08Å; W436-F466 HydrophobicContact CB-CZ 4.3Å; W436-F466 HydrophobicContact CD2-CE1 4.5Å; W436-F466 HydrophobicContact CD2-CZ 4.3Å; W436-F466 AromaticContact CE3-CD1 3.88Å; W436-F466 HydrophobicContact CE3-CD1 3.88Å; W436-F466 AromaticContact CE3-CE1 3.5Å; W436-F466 HydrophobicContact CE3-CE1 3.5Å; W436-F466 HydrophobicContact CE3-CE2 4.19Å; W436-F466 HydrophobicContact CE3-CG 4.34Å; W436-F466 AromaticContact CE3-CZ 3.66Å; W436-F466 HydrophobicContact CE3-CZ 3.66Å; W436-F466 HydrophobicContact CZ3-CD1 4.03Å; W436-F466 AromaticContact CZ3-CE1 3.79Å; W436-F466 HydrophobicContact CZ3-CE1 3.79Å; W436-F466 HydrophobicContact CZ3-CZ 4.38Å; V439-F466 HydrophobicContact CG2-CB 4.45Å; V439-F466 HydrophobicContact CG2-CD2 3.63Å; V439-F466 HydrophobicContact CG2-CE2 4.17Å; V439-F466 HydrophobicContact CG2-CG 4.28Å; H454-F466 CarbonylContact C-O 3.54Å; H454-F466 WeakPolarHBondContact CA-O 3.25Å; T455-F466 PolarHBondContact N-O 3.16Å; T455-F466 WeakPolarHBondContact O-CA 3.41Å; T455-F466 VanDerWaalsContact O-CB 3.31Å; T455-F466 WeakPolarHBondContact O-CB 3.16Å; T455-F466 PolarHBondContact O-N 2.77Å; F457-F466 HydrophobicContact CD2-CB 4.03Å; F457-F466 HydrophobicContact CE2-CB 3.89Å; F457-F466 HydrophobicContact CE2-CG 4.16Å; F466-L471 HydrophobicContact CE1-CD2 4.03Å; F466-L471 WeakPolarHBondContact CE2-O 3.47Å; F466-L471 HydrophobicContact CZ-CB 4.03Å; F466-L471 HydrophobicContact CZ-CD2 4.18Å; F466-L471 WeakPolarHBondContact CZ-O 3.38Å; F466-V473 HydrophobicContact CB-CG2 4.48Å; F466-V473 HydrophobicContact CD2-CG2 3.98Å |
| 467 | D | 83.8 | Confident | 88.6 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 113.1 | 175.1 | -176.8 | -36.8 | 0 | 0 | 0 | 109 | Q469 K470 L471 T472 | D467-Q469 PolarHBondContact O-N 3.25Å; D467-Q469 WeakPolarHBondContact OD1-CA 3.46Å; D467-Q469 WeakPolarHBondContact OD1-CB 3.33Å; D467-Q469 PolarHBondContact OD1-N 2.94Å; D467-K470 HydrophobicContact CB-CB 4.16Å; D467-K470 PolarHBondContact O-N 2.79Å; D467-K470 PolarHBondContact OD1-N 3.11Å; D467-K470 VanDerWaalsContact OD2-CD 3.3Å; D467-K470 WeakPolarHBondContact OD2-CD 3.43Å; D467-K470 WeakPolarHBondContact OD2-CE 3.48Å; D467-K470 IonicContact OD2-NZ 3.42Å; D467-K470 PolarHBondContact OD2-NZ 2.84Å; D467-L471 WeakPolarHBondContact O-CA 3.41Å; D467-L471 PolarHBondContact O-N 2.69Å; D467-T472 PolarHBondContact N-O 3.36Å |
| 468 | N | 81.2 | Confident | 88.6 | Confident | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.08 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -16.7 | -175.1 | -66.3 | -15.1 | 0 | 0 | 0 | 112.9 | W401 G452 Y453 T455 L471 | W401-N468 HydrophobicContact CH2-CB 4.2Å; W401-N468 HydrophobicContact CZ2-CB 4.05Å; W401-N468 WeakPolarHBondContact CZ2-OD1 3.2Å; G452-N468 PolarHBondContact O-ND2 3.16Å; Y453-N468 WeakPolarHBondContact O-CB 3.45Å; Y453-N468 PolarHBondContact O-N 3.37Å; T455-N468 WeakPolarHBondContact CB-OD1 3.43Å; T455-N468 PolarHBondContact N-OD1 2.93Å; T455-N468 PolarHBondContact OG1-ND2 2.71Å; T455-N468 VanDerWaalsContact OG1-ND2 3.16Å; T455-N468 PolarHBondContact OG1-OD1 3.49Å; N468-L471 WeakPolarHBondContact O-CD2 3.47Å |
| 469 | Q | 75.1 | Confident | 88.6 | Confident | 154 Ų | 154 | 63.1 Ų | 63.1 | 72% | 0.72 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -43.6 | 178.4 | -62.6 | -176.5 | -21.9 | 0 | 0 | 111.5 | D467 L471 | D467-Q469 PolarHBondContact O-N 3.25Å; D467-Q469 WeakPolarHBondContact OD1-CA 3.46Å; D467-Q469 WeakPolarHBondContact OD1-CB 3.33Å; D467-Q469 PolarHBondContact OD1-N 2.94Å; Q469-L471 VanDerWaalsContact C-N 3.33Å |
| 470 | K | 75.9 | Confident | 88.6 | Confident | 153 Ų | 153 | 60 Ų | 60 | 67% | 0.665 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -14.8 | 178.8 | -61.9 | 177.9 | -168.6 | 151.9 | 0 | 113.2 | D467 T472 | D467-K470 HydrophobicContact CB-CB 4.16Å; D467-K470 PolarHBondContact O-N 2.79Å; D467-K470 PolarHBondContact OD1-N 3.11Å; D467-K470 VanDerWaalsContact OD2-CD 3.3Å; D467-K470 WeakPolarHBondContact OD2-CD 3.43Å; D467-K470 WeakPolarHBondContact OD2-CE 3.48Å; D467-K470 IonicContact OD2-NZ 3.42Å; D467-K470 PolarHBondContact OD2-NZ 2.84Å; K470-T472 VanDerWaalsContact C-N 3.26Å; K470-T472 HydrophobicContact CB-CG2 3.95Å; K470-T472 PolarHBondContact O-N 2.87Å |
| 471 | L | 78 | Confident | 88.7 | Confident | 83 Ų | 83 | 58.8 Ų | 58.8 | 44% | 0.435 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.6 | 39.1 | -177 | -58.3 | 176.9 | 0 | 0 | 0 | 113.3 | W401 F466 D467 N468 Q469 | W401-L471 HydrophobicContact CH2-CD2 3.74Å; W401-L471 HydrophobicContact CZ3-CD2 4.24Å; F466-L471 HydrophobicContact CE1-CD2 4.03Å; F466-L471 WeakPolarHBondContact CE2-O 3.47Å; F466-L471 HydrophobicContact CZ-CB 4.03Å; F466-L471 HydrophobicContact CZ-CD2 4.18Å; F466-L471 WeakPolarHBondContact CZ-O 3.38Å; D467-L471 WeakPolarHBondContact O-CA 3.41Å; D467-L471 PolarHBondContact O-N 2.69Å; N468-L471 WeakPolarHBondContact O-CD2 3.47Å; Q469-L471 VanDerWaalsContact C-N 3.33Å |
| 472 | T | 82 | Confident | 88.7 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 26% | 0.264 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 154.7 | 177.3 | -171.3 | 0 | 0 | 0 | 0 | 110.5 | D437 D467 K470 | D437-T472 CarbonylContact O-C 3.57Å; D437-T472 WeakPolarHBondContact O-CA 3.48Å; D437-T472 PolarHBondContact OD2-OG1 2.99Å; D467-T472 PolarHBondContact N-O 3.36Å; K470-T472 VanDerWaalsContact C-N 3.26Å; K470-T472 HydrophobicContact CB-CG2 3.95Å; K470-T472 PolarHBondContact O-N 2.87Å |
| 473 | V | 90.4 | Very high | 88.5 | Confident | 19 Ų | 19 | 53.3 Ų | 53.3 | 12% | 0.115 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 137.7 | 173 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | D437 G438 V439 W464 K465 F466 Y477 | D437-V473 WeakPolarHBondContact O-CG2 3.3Å; D437-V473 PolarHBondContact O-N 2.82Å; G438-V473 WeakPolarHBondContact O-CG2 3.25Å; V439-V473 HydrophobicContact CG2-CG2 3.88Å; W464-V473 HydrophobicContact CB-CG1 4.25Å; W464-V473 HydrophobicContact CB-CG2 4.08Å; K465-V473 WeakPolarHBondContact O-CA 3.42Å; F466-V473 HydrophobicContact CB-CG2 4.48Å; F466-V473 HydrophobicContact CD2-CG2 3.98Å; V473-Y477 HydrophobicContact CG1-CG 4.45Å |
| 474 | E | 91.7 | Very high | 88.1 | Confident | 49 Ų | 49 | 55.2 Ų | 55.2 | 23% | 0.229 | 30% | 0.296 | C | S | . | . | P | Polyproline II helix | trans | -62.9 | 146.9 | 176.9 | -77.2 | -168.7 | 170.6 | 0 | 0 | 112.1 | H454 K465 G476 Y477 | H454-E474 IonicContact CD2-OE1 3.6Å; H454-E474 IonicContact NE2-OE1 3.14Å; H454-E474 PolarHBondContact NE2-OE1 2.88Å; H454-E474 VanDerWaalsContact NE2-OE1 3.14Å; K465-E474 VanDerWaalsContact CD-OE2 3.23Å; K465-E474 WeakPolarHBondContact CD-OE2 3.48Å; K465-E474 WeakPolarHBondContact CE-OE1 3.47Å; K465-E474 VanDerWaalsContact CE-OE2 3.3Å; K465-E474 WeakPolarHBondContact CE-OE2 3.32Å; K465-E474 IonicContact NZ-OE1 3.98Å; K465-E474 PolarHBondContact NZ-OE1 3.04Å; K465-E474 IonicContact NZ-OE2 2.65Å; K465-E474 PolarHBondContact NZ-OE2 3.29Å; K465-E474 PolarHBondContact O-N 2.84Å; E474-G476 PolarHBondContact O-N 2.74Å; E474-Y477 HydrophobicContact CB-CD2 3.84Å; E474-Y477 HydrophobicContact CB-CE2 3.9Å; E474-Y477 WeakPolarHBondContact O-CD2 3.44Å |
| 475 | P | 91.2 | Very high | 87.8 | Confident | 131 Ų | 131 | 55.3 Ų | 55.3 | 85% | 0.851 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | 139.4 | 171.9 | -23.1 | 33 | 0 | 0 | 0 | 112 | ||
| 476 | G | 89.1 | Confident | 87.6 | Confident | 58 Ų | 58 | 53.9 Ų | 53.9 | 60% | 0.598 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.4 | 14.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E474 K479 | E474-G476 PolarHBondContact O-N 2.74Å; G476-K479 WeakPolarHBondContact O-CE 3.42Å; G476-K479 WeakPolarHBondContact O-CG 3.04Å |
| 477 | Y | 92.3 | Very high | 87.3 | Confident | 45 Ų | 45 | 55.4 Ų | 55.4 | 18% | 0.176 | 31% | 0.306 | C | S | . | . | trans | -111.2 | 151.8 | 168 | -70.6 | -88.5 | 0 | 0 | 0 | 110.4 | Y463 K465 V473 E474 K479 | Y463-Y477 HydrophobicContact CD2-CD1 4.45Å; Y463-Y477 HydrophobicContact CD2-CE1 4.13Å; Y463-Y477 HydrophobicContact CE1-CE1 4.49Å; Y463-Y477 HydrophobicContact CE2-CD1 4.14Å; Y463-Y477 AromaticContact CE2-CE1 3.41Å; Y463-Y477 HydrophobicContact CE2-CE1 3.41Å; Y463-Y477 VanDerWaalsContact CE2-CE1 3.41Å; Y463-Y477 AromaticContact CZ-CE1 3.61Å; Y463-Y477 WeakPolarHBondContact O-CD1 3.26Å; K465-Y477 HydrophobicContact CB-CD1 3.97Å; K465-Y477 HydrophobicContact CB-CD2 3.92Å; K465-Y477 HydrophobicContact CB-CE1 3.55Å; K465-Y477 HydrophobicContact CB-CE2 3.49Å; K465-Y477 VanDerWaalsContact CB-CE2 3.49Å; K465-Y477 HydrophobicContact CB-CG 4.15Å; K465-Y477 HydrophobicContact CD-CE2 4.01Å; K465-Y477 VanDerWaalsContact CD-OH 3.26Å; K465-Y477 WeakPolarHBondContact CD-OH 3.28Å; K465-Y477 HydrophobicContact CG-CE2 4.32Å; V473-Y477 HydrophobicContact CG1-CG 4.45Å; E474-Y477 HydrophobicContact CB-CD2 3.84Å; E474-Y477 HydrophobicContact CB-CE2 3.9Å; E474-Y477 WeakPolarHBondContact O-CD2 3.44Å; Y477-K479 HydrophobicContact CD1-CB 4.12Å; Y477-K479 HydrophobicContact CD1-CD 4.27Å; Y477-K479 HydrophobicContact CD1-CG 3.86Å; Y477-K479 HydrophobicContact CE1-CB 4.17Å; Y477-K479 HydrophobicContact CE1-CD 3.82Å; Y477-K479 HydrophobicContact CE1-CG 3.92Å | ||
| 478 | P | 94.5 | Very high | 87.4 | Confident | 58 Ų | 58 | 55.8 Ų | 55.8 | 38% | 0.377 | 31% | 0.31 | S | S | . | . | cis | -71.7 | 155.8 | 7.9 | 24.9 | -31 | 0 | 0 | 0 | 115.3 | E462 Y463 W464 | E462-P478 HydrophobicContact CB-CB 3.87Å; E462-P478 HydrophobicContact CG-CB 4.19Å; Y463-P478 WeakPolarHBondContact O-CA 3.48Å; W464-P478 HydrophobicContact CD2-CB 4.05Å; W464-P478 HydrophobicContact CG-CB 4.49Å; W464-P478 HydrophobicContact CH2-CB 4.23Å; W464-P478 HydrophobicContact CZ2-CB 3.69Å; W464-P478 HydrophobicContact CZ2-CG 3.92Å | ||
| 479 | K | 93.7 | Very high | 87.3 | Confident | 88 Ų | 88 | 62.9 Ų | 62.9 | 38% | 0.383 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 164.8 | 170.9 | -70.1 | -169.5 | -178.5 | -174.5 | 0 | 111.3 | E462 Y463 G476 Y477 I481 D484 | E462-K479 CarbonylContact C-O 3.56Å; E462-K479 VanDerWaalsContact CA-O 3.25Å; E462-K479 WeakPolarHBondContact CA-O 3.23Å; Y463-K479 HydrophobicContact CD1-CB 4.07Å; Y463-K479 WeakPolarHBondContact CD1-O 3.37Å; Y463-K479 HydrophobicContact CE1-CB 3.44Å; Y463-K479 VanDerWaalsContact CE1-CB 3.44Å; Y463-K479 PolarHBondContact N-O 3.07Å; Y463-K479 PolarHBondContact O-N 2.95Å; G476-K479 WeakPolarHBondContact O-CE 3.42Å; G476-K479 WeakPolarHBondContact O-CG 3.04Å; Y477-K479 HydrophobicContact CD1-CB 4.12Å; Y477-K479 HydrophobicContact CD1-CD 4.27Å; Y477-K479 HydrophobicContact CD1-CG 3.86Å; Y477-K479 HydrophobicContact CE1-CB 4.17Å; Y477-K479 HydrophobicContact CE1-CD 3.82Å; Y477-K479 HydrophobicContact CE1-CG 3.92Å; K479-I481 PolarHBondContact O-N 2.86Å; K479-D484 WeakPolarHBondContact CD-OD2 3.49Å |
| 480 | S | 93.4 | Very high | 86.4 | Confident | 35 Ų | 35 | 64.1 Ų | 64.1 | 25% | 0.245 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 117.8 | 179.4 | 179 | 0 | 0 | 0 | 0 | 111.3 | L482 Q483 D484 | S480-L482 PolarHBondContact O-N 3.14Å; S480-L482 PolarHBondContact OG-N 3.23Å; S480-Q483 PolarHBondContact O-N 3.18Å; S480-Q483 PolarHBondContact OG-N 2.98Å; S480-D484 PolarHBondContact O-N 2.85Å |
| 481 | I | 91.9 | Very high | 84.9 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.8 | -28.9 | 175.8 | -162.8 | 170 | 0 | 0 | 0 | 111.3 | F303 V306 Y458 K461 Y463 K479 W485 M486 | F303-I481 HydrophobicContact CE2-CG2 4.17Å; V306-I481 HydrophobicContact CG2-CD1 4.29Å; Y458-I481 HydrophobicContact CD2-CB 4.27Å; Y458-I481 HydrophobicContact CD2-CD1 3.38Å; Y458-I481 HydrophobicContact CD2-CG1 4.4Å; Y458-I481 HydrophobicContact CD2-CG2 4.02Å; Y458-I481 HydrophobicContact CE2-CB 4.46Å; Y458-I481 HydrophobicContact CE2-CD1 3.98Å; Y458-I481 HydrophobicContact CE2-CG2 3.71Å; Y458-I481 HydrophobicContact CG-CD1 3.87Å; K461-I481 PolarHBondContact O-N 3.49Å; K461-I481 VanDerWaalsContact O-N 3.07Å; Y463-I481 HydrophobicContact CD1-CB 4.06Å; Y463-I481 HydrophobicContact CD1-CG1 4.47Å; K479-I481 PolarHBondContact O-N 2.86Å; I481-W485 HydrophobicContact CG1-CB 3.97Å; I481-W485 HydrophobicContact CG1-CG 4Å; I481-W485 VanDerWaalsContact O-CB 3.31Å; I481-W485 WeakPolarHBondContact O-CB 3.23Å; I481-W485 PolarHBondContact O-N 3.5Å; I481-M486 HydrophobicContact CD1-CE 3.97Å; I481-M486 HydrophobicContact CG1-CE 3.87Å; I481-M486 PolarHBondContact O-N 2.99Å |
| 482 | L | 91.2 | Very high | 83.5 | Confident | 17 Ų | 17 | 64.9 Ų | 64.9 | 9% | 0.089 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -69.4 | -37.5 | -177.3 | -58.6 | 178 | 0 | 0 | 0 | 111.9 | F303 K461 S480 M486 G487 C488 | F303-L482 HydrophobicContact CE2-CD2 3.98Å; F303-L482 HydrophobicContact CZ-CD2 3.76Å; K461-L482 HydrophobicContact CD-CD1 4.29Å; K461-L482 HydrophobicContact CG-CD1 4.41Å; S480-L482 PolarHBondContact O-N 3.14Å; S480-L482 PolarHBondContact OG-N 3.23Å; L482-M486 HydrophobicContact CD2-CG 4.12Å; L482-M486 CarbonylContact O-C 3.5Å; L482-M486 WeakPolarHBondContact O-CB 3.4Å; L482-M486 PolarHBondContact O-N 3.24Å; L482-G487 PolarHBondContact O-N 3.25Å; L482-C488 HydrophobicContact CB-CB 4.28Å; L482-C488 VanDerWaalsContact O-CB 3.29Å; L482-C488 WeakPolarHBondContact O-CB 3.39Å; L482-C488 PolarHBondContact O-N 3.42Å |
| 483 | Q | 88.8 | Confident | 81.8 | Confident | 84 Ų | 84 | 70.9 Ų | 70.9 | 39% | 0.393 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -79.6 | -50.5 | 179.7 | -69.4 | 174.4 | -11.8 | 0 | 0 | 111 | S480 | S480-Q483 PolarHBondContact O-N 3.18Å; S480-Q483 PolarHBondContact OG-N 2.98Å |
| 484 | D | 87.9 | Confident | 79.4 | Confident | 53 Ų | 53 | 78.5 Ų | 78.5 | 28% | 0.283 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -82.7 | -24.4 | -168.6 | -69.2 | -7 | 0 | 0 | 0 | 113.3 | N327 Y463 K479 S480 | N327-D484 PolarHBondContact ND2-O 3.37Å; Y463-D484 HydrophobicContact CE1-CB 3.85Å; Y463-D484 PolarHBondContact OH-OD2 3.32Å; K479-D484 WeakPolarHBondContact CD-OD2 3.49Å; S480-D484 PolarHBondContact O-N 2.85Å |
| 485 | W | 88.2 | Confident | 77 | Confident | 27 Ų | 27 | 87.5 Ų | 87.5 | 10% | 0.102 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -117.5 | -36.6 | -177.7 | -63.9 | 84.6 | 0 | 0 | 0 | 114.1 | L313 L324 N327 F447 T449 F456 Y463 I481 | L313-W485 HydrophobicContact CD2-CB 4.38Å; L313-W485 HydrophobicContact CD2-CE3 3.95Å; L324-W485 VanDerWaalsContact CD2-O 3.31Å; L324-W485 WeakPolarHBondContact CD2-O 3.31Å; N327-W485 WeakPolarHBondContact CA-O 3.37Å; F447-W485 HydrophobicContact CE2-CE3 4.4Å; F447-W485 AromaticContact CE2-CH2 3.49Å; F447-W485 HydrophobicContact CE2-CH2 3.49Å; F447-W485 VanDerWaalsContact CE2-CH2 3.49Å; F447-W485 AromaticContact CE2-CZ2 3.89Å; F447-W485 HydrophobicContact CE2-CZ2 3.89Å; F447-W485 AromaticContact CE2-CZ3 3.76Å; F447-W485 HydrophobicContact CE2-CZ3 3.76Å; F447-W485 HydrophobicContact CZ-CD2 4.33Å; F447-W485 HydrophobicContact CZ-CE3 4.33Å; F447-W485 AromaticContact CZ-CH2 3.92Å; F447-W485 HydrophobicContact CZ-CH2 3.92Å; F447-W485 AromaticContact CZ-CZ2 3.91Å; F447-W485 HydrophobicContact CZ-CZ2 3.91Å; F447-W485 HydrophobicContact CZ-CZ3 4.13Å; T449-W485 HydrophobicContact CG2-CH2 3.94Å; F456-W485 HydrophobicContact CD1-CH2 4.5Å; F456-W485 AromaticContact CD1-CZ2 3.67Å; F456-W485 HydrophobicContact CD1-CZ2 3.67Å; F456-W485 HydrophobicContact CD2-CH2 4.28Å; F456-W485 HydrophobicContact CD2-CZ2 4.21Å; F456-W485 HydrophobicContact CE1-CH2 4.44Å; F456-W485 AromaticContact CE1-CZ2 3.73Å; F456-W485 HydrophobicContact CE1-CZ2 3.73Å; F456-W485 HydrophobicContact CE2-CH2 4.28Å; F456-W485 HydrophobicContact CE2-CZ2 4.31Å; F456-W485 HydrophobicContact CG-CH2 4.39Å; F456-W485 AromaticContact CG-CZ2 3.89Å; F456-W485 HydrophobicContact CG-CZ2 3.89Å; F456-W485 HydrophobicContact CZ-CH2 4.33Å; F456-W485 HydrophobicContact CZ-CZ2 4.06Å; Y463-W485 AromaticContact CD1-CD1 3.9Å; Y463-W485 AromaticContact CD1-NE1 3.82Å; Y463-W485 AromaticContact CD2-NE1 3.53Å; Y463-W485 AromaticContact CE1-CD1 3.71Å; Y463-W485 AromaticContact CE1-NE1 3.56Å; Y463-W485 HydrophobicContact CE2-CZ2 4.4Å; Y463-W485 AromaticContact CE2-NE1 3.23Å; Y463-W485 AromaticContact CG-NE1 3.8Å; Y463-W485 AromaticContact CZ-CD1 3.88Å; Y463-W485 AromaticContact CZ-NE1 3.27Å; Y463-W485 VanDerWaalsContact CZ-NE1 3.27Å; I481-W485 HydrophobicContact CG1-CB 3.97Å; I481-W485 HydrophobicContact CG1-CG 4Å; I481-W485 VanDerWaalsContact O-CB 3.31Å; I481-W485 WeakPolarHBondContact O-CB 3.23Å; I481-W485 PolarHBondContact O-N 3.5Å |
| 486 | M | 90.4 | Very high | 74.4 | Confident | 7 Ų | 7 | 87.2 Ų | 87.2 | 3% | 0.034 | 45% | 0.451 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -2.6 | -174.6 | -48.7 | -60.8 | 152.8 | 0 | 0 | 113.9 | I298 F303 L313 V315 L324 I481 L482 C488 | I298-M486 HydrophobicContact CD1-CB 4.2Å; I298-M486 HydrophobicContact CD1-CG 4.3Å; I298-M486 HydrophobicContact CD1-SD 3.55Å; I298-M486 VanDerWaalsContact CD1-SD 3.55Å; I298-M486 HydrophobicContact CG1-CB 4.21Å; I298-M486 HydrophobicContact CG1-CG 4.21Å; I298-M486 HydrophobicContact CG1-SD 3.93Å; F303-M486 HydrophobicContact CD2-CE 4.49Å; F303-M486 HydrophobicContact CE2-CE 3.82Å; F303-M486 HydrophobicContact CE2-CG 4.14Å; F303-M486 HydrophobicContact CE2-SD 4.23Å; F303-M486 HydrophobicContact CZ-CE 4.34Å; F303-M486 HydrophobicContact CZ-CG 4.01Å; F303-M486 HydrophobicContact CZ-SD 4.16Å; L313-M486 HydrophobicContact CD2-CE 3.84Å; V315-M486 HydrophobicContact CG2-CE 3.55Å; V315-M486 HydrophobicContact CG2-SD 3.83Å; L324-M486 HydrophobicContact CD1-SD 4.31Å; L324-M486 HydrophobicContact CD2-SD 3.63Å; I481-M486 HydrophobicContact CD1-CE 3.97Å; I481-M486 HydrophobicContact CG1-CE 3.87Å; I481-M486 PolarHBondContact O-N 2.99Å; L482-M486 HydrophobicContact CD2-CG 4.12Å; L482-M486 CarbonylContact O-C 3.5Å; L482-M486 WeakPolarHBondContact O-CB 3.4Å; L482-M486 PolarHBondContact O-N 3.24Å; M486-C488 VanDerWaalsContact C-N 3.27Å; M486-C488 PolarHBondContact O-N 2.96Å |
| 487 | G | 83.1 | Confident | 72 | Confident | 32 Ų | 32 | 87.8 Ų | 87.8 | 33% | 0.33 | 46% | 0.457 | S | S | . | . | trans | 71.2 | 16.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L482 Y489 | L482-G487 PolarHBondContact O-N 3.25Å; G487-Y489 WeakPolarHBondContact O-CD2 3.42Å; G487-Y489 PolarHBondContact O-N 3.44Å; G487-Y489 VanDerWaalsContact O-N 3.15Å | ||
| 488 | C | 84.8 | Confident | 69.3 | Low | 21 Ų | 21 | 90.7 Ų | 90.7 | 14% | 0.142 | 48% | 0.483 | C | S | . | . | trans | -83.6 | 88.8 | -177.7 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | C299 L482 M486 | C299-C488 WeakPolarHBondContact CA-SG 3.46Å; C299-C488 HydrophobicContact CB-CB 3.87Å; C299-C488 WeakPolarHBondContact CB-SG 3.45Å; C299-C488 WeakPolarHBondContact SG-CB 3.02Å; C299-C488 CovalentContact SG-SG 2.04Å; C299-C488 PolarHBondContact SG-SG 3.08Å; L482-C488 HydrophobicContact CB-CB 4.28Å; L482-C488 VanDerWaalsContact O-CB 3.29Å; L482-C488 WeakPolarHBondContact O-CB 3.39Å; L482-C488 PolarHBondContact O-N 3.42Å; M486-C488 VanDerWaalsContact C-N 3.27Å; M486-C488 PolarHBondContact O-N 2.96Å | ||
| 489 | Y | 79.9 | Confident | 66.4 | Low | 163 Ų | 163 | 95.5 Ų | 95.5 | 64% | 0.639 | 51% | 0.506 | S | S | * | . | trans | -91.6 | 140.8 | 171.8 | -60.1 | -75.1 | 0 | 0 | 0 | 110.9 | G487 S491 | G487-Y489 WeakPolarHBondContact O-CD2 3.42Å; G487-Y489 PolarHBondContact O-N 3.44Å; G487-Y489 VanDerWaalsContact O-N 3.15Å; Y489-S491 VanDerWaalsContact C-N 3.29Å; Y489-S491 PolarHBondContact O-N 2.77Å | ||
| 490 | Q | 56.9 | Low | 63.5 | Low | 180 Ų | 180 | 103.1 Ų | 103.1 | 84% | 0.841 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 81.1 | 178.9 | -82.7 | 175.3 | -30.2 | 0 | 0 | 111.5 | ||
| 491 | S | 44 | Very low | 60.6 | Low | 93 Ų | 93 | 105.2 Ų | 105.2 | 65% | 0.65 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.8 | -2.8 | 165.3 | 61 | 0 | 0 | 0 | 0 | 113.5 | Y489 | Y489-S491 VanDerWaalsContact C-N 3.29Å; Y489-S491 PolarHBondContact O-N 2.77Å |
| 492 | E | 47.9 | Very low | 57.7 | Low | 159 Ų | 159 | 111.1 Ų | 111.1 | 74% | 0.743 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -103.7 | -3.3 | -179.3 | -63.4 | -166.5 | 149.7 | 0 | 0 | 114.6 | ||
| 493 | M | 45.9 | Very low | 54.8 | Low | 170 Ų | 170 | 119.8 Ų | 119.8 | 84% | 0.837 | 62% | 0.623 | S | S | * | * | S | Bend | trans | -85.4 | -11.6 | 179.9 | -81.5 | -169.5 | 167.4 | 0 | 0 | 115.1 | ||
| 494 | E | 41.7 | Very low | 51.9 | Low | 179 Ų | 179 | 123.5 Ų | 123.5 | 84% | 0.836 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -91.5 | -9.5 | 179.2 | -70.2 | -171.6 | 159.1 | 0 | 0 | 114.4 | ||
| 495 | R | 40.3 | Very low | 49.1 | Very low | 238 Ų | 238 | 128.7 Ų | 128.7 | 90% | 0.898 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -94.3 | 0.4 | -177.6 | -76.9 | -175.2 | 177.8 | 174.9 | 0.9 | 115.8 | ||
| 496 | S | 37.5 | Very low | 46.4 | Very low | 125 Ų | 125 | 133.1 Ų | 133.1 | 87% | 0.874 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -119.9 | 6.4 | 176.7 | -99 | 0 | 0 | 0 | 0 | 115 | ||
| 497 | G | 38.6 | Very low | 43.7 | Very low | 70 Ų | 70 | 140 Ų | 140 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -119.7 | 8.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||
| 498 | S | 35.5 | Very low | 41.3 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | trans | -136.1 | 96.8 | -178.6 | -166 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 499 | N | 33.6 | Very low | 38.7 | Very low | 160 Ų | 160 | 152.6 Ų | 152.6 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -166.3 | 91.7 | 142.3 | -102.5 | -21.7 | 0 | 0 | 0 | 110.7 | ||||
| 500 | R | 33.1 | Very low | 36.6 | Very low | 247 Ų | 247 | 151 Ų | 151 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | trans | 180 | 99.5 | 136.1 | -101 | 173.3 | -176 | -170.3 | 1.3 | 108.9 | ||||
| 501 | G | 32.4 | Very low | 35.3 | Very low | 79 Ų | 79 | 150.1 Ų | 150.1 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -83.2 | 159.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 502 | D | 29.6 | Very low | 34.8 | Very low | 124 Ų | 124 | 152.1 Ų | 152.1 | 66% | 0.663 | 81% | 0.81 | S | S | * | * | trans | -157 | 127.8 | 131.2 | -146.7 | 7.8 | 0 | 0 | 0 | 110.1 | ||||
| 503 | R | 30 | Very low | 34.1 | Very low | 200 Ų | 200 | 151.2 Ų | 151.2 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | trans | 64.2 | 140.9 | 153.1 | -71.9 | 160 | -158.5 | -155.6 | -2 | 118.6 | ||||
| 504 | Q | 27.8 | Very low | 33.4 | Very low | 161 Ų | 161 | 149.2 Ų | 149.2 | 75% | 0.752 | 81% | 0.806 | S | S | * | * | cis | -158.8 | 144.1 | 24.2 | -165.6 | 89 | 1 | 0 | 0 | 108.5 | ||||
| 505 | L | 30 | Very low | 32.8 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | -70.2 | 151.2 | 165.2 | -78 | 157.5 | 0 | 0 | 0 | 110.8 | ||||
| 506 | P | 32.7 | Very low | 32.7 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | -136.1 | 160.8 | 104.9 | 28.2 | -10.5 | 0 | 0 | 0 | 114.6 | |||||
| 507 | L | 33.5 | Very low | 32.5 | Very low | 152 Ų | 152 | 142 Ų | 142 | 80% | 0.796 | 78% | 0.784 | S | S | * | * | trans | -56.8 | 145.7 | 177.7 | -67 | 121.5 | 0 | 0 | 0 | 112.9 | ||||
| 508 | D | 32.2 | Very low | 32.6 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | -163.8 | 133.7 | 119.6 | -93.8 | -20.8 | 0 | 0 | 0 | 110.9 | |||||
| 509 | D | 30.6 | Very low | 33.1 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -62 | 131 | 173.9 | -82.3 | -38.6 | 0 | 0 | 0 | 111.8 | ||||
| 510 | V | 33.9 | Very low | 33.5 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 79% | 0.788 | 77% | 0.772 | S | S | * | * | trans | -149.1 | 114.9 | 143.6 | -169 | 0 | 0 | 0 | 0 | 109.9 | V512 | V510-V512 PolarHBondContact O-N 2.93Š| ||
| 511 | D | 30.4 | Very low | 34.4 | Very low | 160 Ų | 160 | 137.3 Ų | 137.3 | 86% | 0.856 | 77% | 0.765 | S | S | * | * | trans | -54.2 | 120.1 | 164.8 | -83 | -41.9 | 0 | 0 | 0 | 110.9 | ||||
| 512 | V | 34.7 | Very low | 35.3 | Very low | 136 Ų | 136 | 137.3 Ų | 137.3 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | -113.3 | 108.8 | 166.4 | -178.3 | 0 | 0 | 0 | 0 | 109.6 | V510 | V510-V512 PolarHBondContact O-N 2.93Š| ||
| 513 | I | 31.6 | Very low | 36.3 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -48.2 | 129.5 | 174.1 | -65.8 | 155.2 | 0 | 0 | 0 | 111.2 | T515 | I513-T515 HydrophobicContact CG2-CG2 4.47Å; I513-T515 PolarHBondContact O-N 3.48Å; I513-T515 VanDerWaalsContact O-N 3.11Å | ||
| 514 | V | 32.1 | Very low | 37.4 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 78% | 0.776 | 74% | 0.741 | S | S | * | * | trans | -65.9 | 105 | 166.9 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | I516 | V514-I516 HydrophobicContact CG1-CG1 4.14Š| ||
| 515 | T | 29.7 | Very low | 38.5 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 66% | 0.656 | 73% | 0.727 | S | S | * | * | trans | -90.5 | 104.8 | 162.8 | 45.4 | 0 | 0 | 0 | 0 | 108.8 | I513 N517 | I513-T515 HydrophobicContact CG2-CG2 4.47Å; I513-T515 PolarHBondContact O-N 3.48Å; I513-T515 VanDerWaalsContact O-N 3.11Å; T515-N517 PolarHBondContact O-N 3.4Å; T515-N517 VanDerWaalsContact O-N 3.16Å | ||
| 516 | I | 37.6 | Very low | 39.8 | Very low | 146 Ų | 146 | 124.2 Ų | 124.2 | 75% | 0.749 | 71% | 0.711 | S | S | * | * | trans | -70.5 | 103.2 | 161.9 | -60.6 | 170.7 | 0 | 0 | 0 | 105.4 | V514 D518 | V514-I516 HydrophobicContact CG1-CG1 4.14Å; I516-D518 PolarHBondContact O-N 3.38Å | ||
| 517 | N | 33.5 | Very low | 41.1 | Very low | 139 Ų | 139 | 121.7 Ų | 121.7 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 116 | 168.2 | -77.7 | -25.5 | 0 | 0 | 0 | 108.3 | T515 V519 | T515-N517 PolarHBondContact O-N 3.4Å; T515-N517 VanDerWaalsContact O-N 3.16Å; N517-V519 PolarHBondContact O-N 2.8Å |
| 518 | D | 40.8 | Very low | 42.8 | Very low | 151 Ų | 151 | 118.9 Ų | 118.9 | 81% | 0.807 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -47.8 | 128.4 | 169.6 | -75.3 | -48.3 | 0 | 0 | 0 | 111.3 | I516 | I516-D518 PolarHBondContact O-N 3.38Š|
| 519 | V | 44.8 | Very low | 44.6 | Very low | 120 Ų | 120 | 115 Ų | 115 | 73% | 0.727 | 67% | 0.67 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 128.4 | 166.4 | -178.6 | 0 | 0 | 0 | 0 | 107.5 | N517 | N517-V519 PolarHBondContact O-N 2.8Š|
| 520 | P | 43.5 | Very low | 46.8 | Very low | 81 Ų | 81 | 112 Ų | 112 | 53% | 0.526 | 65% | 0.654 | S | S | . | * | P | Polyproline II helix | trans | -67.5 | 139.6 | -176.6 | 25 | -30.6 | 0 | 0 | 0 | 110.8 | T522 | P520-T522 HydrophobicContact CB-CG2 4.37Å; P520-T522 PolarHBondContact O-N 3.3Å |
| 521 | T | 50.3 | Low | 49 | Very low | 130 Ų | 130 | 108.9 Ų | 108.9 | 80% | 0.798 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | 10 | 175.8 | 42.7 | 0 | 0 | 0 | 0 | 115.2 | ||
| 522 | T | 51.1 | Low | 51.4 | Low | 80 Ų | 80 | 104.7 Ų | 104.7 | 49% | 0.491 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -77.1 | -23.1 | -178.4 | 52.9 | 0 | 0 | 0 | 0 | 113.3 | P520 A525 I526 | P520-T522 HydrophobicContact CB-CG2 4.37Å; P520-T522 PolarHBondContact O-N 3.3Å; T522-A525 PolarHBondContact O-N 3.49Å; T522-I526 WeakPolarHBondContact O-CG1 3.46Å; T522-I526 PolarHBondContact O-N 3.31Å |
| 523 | V | 51.9 | Low | 53.8 | Low | 90 Ų | 90 | 102.8 Ų | 102.8 | 55% | 0.545 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72.2 | -32 | -177.8 | -153.3 | 0 | 0 | 0 | 0 | 112 | A527 | V523-A527 WeakPolarHBondContact O-CB 3.41Å; V523-A527 PolarHBondContact O-N 3.46Å |
| 524 | N | 51.9 | Low | 56.4 | Low | 129 Ų | 129 | 101 Ų | 101 | 69% | 0.69 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -76.9 | -30.1 | 177.8 | -75.5 | -8.2 | 0 | 0 | 0 | 113 | V528 | N524-V528 WeakPolarHBondContact O-CG2 3.34Å |
| 525 | A | 51.3 | Low | 59 | Low | 56 Ų | 56 | 98.2 Ų | 98.2 | 46% | 0.463 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -70.2 | -40.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | T522 V528 V529 | T522-A525 PolarHBondContact O-N 3.49Å; A525-V528 PolarHBondContact O-N 3.28Å; A525-V529 WeakPolarHBondContact O-CB 3.36Å; A525-V529 WeakPolarHBondContact O-CG2 3.49Å; A525-V529 PolarHBondContact O-N 3.2Å |
| 526 | I | 57.6 | Low | 61.9 | Low | 98 Ų | 98 | 98.4 Ų | 98.4 | 50% | 0.503 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67.9 | -37.5 | 179.1 | -64.5 | 169.7 | 0 | 0 | 0 | 111.2 | T522 V528 I530 | T522-I526 WeakPolarHBondContact O-CG1 3.46Å; T522-I526 PolarHBondContact O-N 3.31Å; I526-V528 PolarHBondContact O-N 3.4Å; I526-I530 HydrophobicContact CG2-CD1 3.55Å; I526-I530 HydrophobicContact CG2-CG1 4.25Å; I526-I530 WeakPolarHBondContact O-CG1 3.21Å; I526-I530 PolarHBondContact O-N 3.04Å |
| 527 | A | 60.9 | Low | 64.3 | Low | 66 Ų | 66 | 94.8 Ų | 94.8 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.3 | -21.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V523 P531 | V523-A527 WeakPolarHBondContact O-CB 3.41Å; V523-A527 PolarHBondContact O-N 3.46Å; A527-P531 WeakPolarHBondContact O-CD 3.31Å; A527-P531 WeakPolarHBondContact O-CG 3.42Å |
| 528 | V | 67.9 | Low | 67 | Low | 93 Ų | 93 | 92.8 Ų | 92.8 | 56% | 0.564 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -101 | -36.3 | 179 | 179.3 | 0 | 0 | 0 | 0 | 112 | N524 A525 I526 P531 C532 | N524-V528 WeakPolarHBondContact O-CG2 3.34Å; A525-V528 PolarHBondContact O-N 3.28Å; I526-V528 PolarHBondContact O-N 3.4Å; V528-P531 WeakPolarHBondContact O-CD 3.35Å; V528-C532 PolarHBondContact O-N 3.24Å; V528-C532 PolarHBondContact O-SG 3.27Å |
| 529 | V | 70.8 | Confident | 69.3 | Low | 78 Ų | 78 | 90.9 Ų | 90.9 | 47% | 0.473 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -70.7 | -40.1 | -176.2 | 172.3 | 0 | 0 | 0 | 0 | 112.1 | A525 C532 I533 | A525-V529 WeakPolarHBondContact O-CB 3.36Å; A525-V529 WeakPolarHBondContact O-CG2 3.49Å; A525-V529 PolarHBondContact O-N 3.2Å; V529-C532 PolarHBondContact O-N 3.31Å; V529-I533 HydrophobicContact CG1-CD1 3.6Å; V529-I533 HydrophobicContact CG1-CG1 4.24Å; V529-I533 VanDerWaalsContact O-CG1 3.29Å; V529-I533 WeakPolarHBondContact O-CG1 3.47Å; V529-I533 PolarHBondContact O-N 3.01Å |
| 530 | I | 76.1 | Confident | 71.5 | Confident | 95 Ų | 95 | 89.3 Ų | 89.3 | 49% | 0.487 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.1 | -47.7 | -179.1 | -65.1 | 175.5 | 0 | 0 | 0 | 111.8 | I526 C532 I533 L534 | I526-I530 HydrophobicContact CG2-CD1 3.55Å; I526-I530 HydrophobicContact CG2-CG1 4.25Å; I526-I530 WeakPolarHBondContact O-CG1 3.21Å; I526-I530 PolarHBondContact O-N 3.04Å; I530-C532 PolarHBondContact O-N 3.5Å; I530-I533 PolarHBondContact O-N 2.89Å; I530-L534 HydrophobicContact CG2-CD1 4.02Å; I530-L534 WeakPolarHBondContact O-CG 3.21Å; I530-L534 PolarHBondContact O-N 3.48Å |
| 531 | P | 81.2 | Confident | 73.6 | Confident | 65 Ų | 65 | 90.4 Ų | 90.4 | 42% | 0.422 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 174.1 | -24 | 33 | 0 | 0 | 0 | 113.4 | A527 V528 I533 L534 S535 | A527-P531 WeakPolarHBondContact O-CD 3.31Å; A527-P531 WeakPolarHBondContact O-CG 3.42Å; V528-P531 WeakPolarHBondContact O-CD 3.35Å; P531-I533 PolarHBondContact O-N 3.47Å; P531-L534 PolarHBondContact O-N 3.35Å; P531-S535 PolarHBondContact O-N 3.22Å; P531-S535 PolarHBondContact O-OG 3.32Å |
| 532 | C | 80.7 | Confident | 75.4 | Confident | 71 Ų | 71 | 89 Ų | 89 | 48% | 0.48 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 179.3 | -71.7 | 0 | 0 | 0 | 0 | 112.6 | V528 V529 I530 S535 L536 | V528-C532 PolarHBondContact O-N 3.24Å; V528-C532 PolarHBondContact O-SG 3.27Å; V529-C532 PolarHBondContact O-N 3.31Å; I530-C532 PolarHBondContact O-N 3.5Å; C532-S535 PolarHBondContact O-N 2.77Å; C532-L536 PolarHBondContact O-N 3.49Å |
| 533 | I | 85.4 | Confident | 77.1 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 49% | 0.492 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.1 | -43.8 | 175.1 | -68.1 | 171.6 | 0 | 0 | 0 | 110.3 | V529 I530 P531 S535 L536 C537 | V529-I533 HydrophobicContact CG1-CD1 3.6Å; V529-I533 HydrophobicContact CG1-CG1 4.24Å; V529-I533 VanDerWaalsContact O-CG1 3.29Å; V529-I533 WeakPolarHBondContact O-CG1 3.47Å; V529-I533 PolarHBondContact O-N 3.01Å; I530-I533 PolarHBondContact O-N 2.89Å; P531-I533 PolarHBondContact O-N 3.47Å; I533-S535 PolarHBondContact O-N 2.98Å; I533-L536 PolarHBondContact O-N 3.4Å; I533-C537 PolarHBondContact O-N 3.43Å; I533-C537 PolarHBondContact O-SG 2.94Å; I533-C537 VanDerWaalsContact O-SG 3.34Å |
| 534 | L | 85.5 | Confident | 78.6 | Confident | 103 Ų | 103 | 90.5 Ų | 90.5 | 54% | 0.539 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 176.9 | -75 | 168.8 | 0 | 0 | 0 | 112 | I530 P531 L536 C537 I538 | I530-L534 HydrophobicContact CG2-CD1 4.02Å; I530-L534 WeakPolarHBondContact O-CG 3.21Å; I530-L534 PolarHBondContact O-N 3.48Å; P531-L534 PolarHBondContact O-N 3.35Å; L534-L536 PolarHBondContact O-N 2.98Å; L534-C537 PolarHBondContact O-N 3.46Å; L534-I538 VanDerWaalsContact O-CG1 3.31Å; L534-I538 WeakPolarHBondContact O-CG1 3.22Å; L534-I538 PolarHBondContact O-N 2.87Å |
| 535 | S | 87.4 | Confident | 80.1 | Confident | 69 Ų | 69 | 89.4 Ų | 89.4 | 48% | 0.483 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -40 | 174.3 | -74.9 | 0 | 0 | 0 | 0 | 112.6 | P531 C532 I533 I538 L539 | P531-S535 PolarHBondContact O-N 3.22Å; P531-S535 PolarHBondContact O-OG 3.32Å; C532-S535 PolarHBondContact O-N 2.77Å; I533-S535 PolarHBondContact O-N 2.98Å; S535-I538 PolarHBondContact O-N 3.23Å; S535-L539 WeakPolarHBondContact O-CG 3.46Å; S535-L539 PolarHBondContact O-N 3.33Å |
| 536 | L | 90 | Very high | 81.5 | Confident | 111 Ų | 111 | 94 Ų | 94 | 58% | 0.581 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.2 | -43.1 | 174.3 | -89.6 | 162.3 | 0 | 0 | 0 | 112 | C532 I533 L534 I538 L539 V540 | C532-L536 PolarHBondContact O-N 3.49Å; I533-L536 PolarHBondContact O-N 3.4Å; L534-L536 PolarHBondContact O-N 2.98Å; L536-I538 VanDerWaalsContact C-N 3.32Å; L536-I538 PolarHBondContact O-N 3.01Å; L536-L539 PolarHBondContact O-N 2.98Å; L536-V540 WeakPolarHBondContact O-CG2 3.33Å; L536-V540 PolarHBondContact O-N 2.98Å |
| 537 | C | 87.4 | Confident | 82.4 | Confident | 69 Ų | 69 | 92.5 Ų | 92.5 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.4 | -40.5 | 175.9 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | I533 L534 V540 L541 | I533-C537 PolarHBondContact O-N 3.43Å; I533-C537 PolarHBondContact O-SG 2.94Å; I533-C537 VanDerWaalsContact O-SG 3.34Å; L534-C537 PolarHBondContact O-N 3.46Å; C537-V540 PolarHBondContact O-N 3.35Å; C537-L541 PolarHBondContact O-N 3.34Å |
| 538 | I | 90.9 | Very high | 82.9 | Confident | 98 Ų | 98 | 97.3 Ų | 97.3 | 50% | 0.503 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.3 | -68.5 | 166.4 | 0 | 0 | 0 | 110.8 | L534 S535 L536 V540 L541 I542 | L534-I538 VanDerWaalsContact O-CG1 3.31Å; L534-I538 WeakPolarHBondContact O-CG1 3.22Å; L534-I538 PolarHBondContact O-N 2.87Å; S535-I538 PolarHBondContact O-N 3.23Å; L536-I538 VanDerWaalsContact C-N 3.32Å; L536-I538 PolarHBondContact O-N 3.01Å; I538-V540 VanDerWaalsContact C-N 3.35Å; I538-V540 PolarHBondContact O-N 3.26Å; I538-L541 WeakPolarHBondContact O-CB 3.35Å; I538-L541 PolarHBondContact O-N 3.41Å; I538-I542 HydrophobicContact CG2-CD1 3.81Å; I538-I542 HydrophobicContact CG2-CG1 4.4Å; I538-I542 WeakPolarHBondContact O-CG1 3.36Å; I538-I542 PolarHBondContact O-N 2.99Å |
| 539 | L | 89.8 | Confident | 82.8 | Confident | 110 Ų | 110 | 100.6 Ų | 100.6 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64 | -38.5 | 177.2 | -73 | 171.8 | 0 | 0 | 0 | 112.3 | S535 L536 I542 Y543 | S535-L539 WeakPolarHBondContact O-CG 3.46Å; S535-L539 PolarHBondContact O-N 3.33Å; L536-L539 PolarHBondContact O-N 2.98Å; L539-I542 PolarHBondContact O-N 2.86Å; L539-Y543 VanDerWaalsContact O-CB 3.3Å; L539-Y543 WeakPolarHBondContact O-CB 3.37Å; L539-Y543 PolarHBondContact O-N 3.4Å |
| 540 | V | 89.5 | Confident | 82.4 | Confident | 87 Ų | 87 | 99.9 Ų | 99.9 | 53% | 0.527 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.8 | -39.8 | 174 | 173.4 | 0 | 0 | 0 | 0 | 111.1 | L536 C537 I538 Y543 T544 | L536-V540 WeakPolarHBondContact O-CG2 3.33Å; L536-V540 PolarHBondContact O-N 2.98Å; C537-V540 PolarHBondContact O-N 3.35Å; I538-V540 VanDerWaalsContact C-N 3.35Å; I538-V540 PolarHBondContact O-N 3.26Å; V540-Y543 PolarHBondContact O-N 2.87Å; V540-T544 HydrophobicContact CG1-CG2 4.4Å; V540-T544 WeakPolarHBondContact O-CB 3.29Å; V540-T544 VanDerWaalsContact O-CG2 3.29Å; V540-T544 WeakPolarHBondContact O-CG2 3.14Å; V540-T544 PolarHBondContact O-N 2.94Å; V540-T544 PolarHBondContact O-OG1 3.39Å |
| 541 | L | 88.6 | Confident | 81.5 | Confident | 105 Ų | 105 | 102 Ų | 102 | 55% | 0.55 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 173.8 | -101.5 | 160.1 | 0 | 0 | 0 | 112 | C537 I538 Y543 T544 I545 | C537-L541 PolarHBondContact O-N 3.34Å; I538-L541 WeakPolarHBondContact O-CB 3.35Å; I538-L541 PolarHBondContact O-N 3.41Å; L541-Y543 PolarHBondContact O-N 2.94Å; L541-T544 WeakPolarHBondContact CA-OG1 3.3Å; L541-T544 PolarHBondContact O-N 3.49Å; L541-T544 PolarHBondContact O-OG1 2.86Å; L541-I545 WeakPolarHBondContact O-CB 3.29Å; L541-I545 WeakPolarHBondContact O-CD1 3.4Å; L541-I545 WeakPolarHBondContact O-CG1 3.5Å; L541-I545 PolarHBondContact O-N 3.39Å |
| 542 | I | 87.9 | Confident | 80.2 | Confident | 99 Ų | 99 | 100.5 Ų | 100.5 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 176.4 | -67.7 | 168.4 | 0 | 0 | 0 | 110.6 | I538 L539 I545 F546 | I538-I542 HydrophobicContact CG2-CD1 3.81Å; I538-I542 HydrophobicContact CG2-CG1 4.4Å; I538-I542 WeakPolarHBondContact O-CG1 3.36Å; I538-I542 PolarHBondContact O-N 2.99Å; L539-I542 PolarHBondContact O-N 2.86Å; I542-I545 PolarHBondContact O-N 3.37Å; I542-F546 WeakPolarHBondContact O-CB 3.36Å; I542-F546 PolarHBondContact O-N 3.32Å |
| 543 | Y | 87.4 | Confident | 78.7 | Confident | 146 Ų | 146 | 100.2 Ų | 100.2 | 57% | 0.573 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -43 | 177.5 | 179.8 | -97.3 | 0 | 0 | 0 | 112.2 | L539 V540 L541 F546 Q547 | L539-Y543 VanDerWaalsContact O-CB 3.3Å; L539-Y543 WeakPolarHBondContact O-CB 3.37Å; L539-Y543 PolarHBondContact O-N 3.4Å; V540-Y543 PolarHBondContact O-N 2.87Å; L541-Y543 PolarHBondContact O-N 2.94Å; Y543-F546 PolarHBondContact O-N 2.86Å; Y543-Q547 HydrophobicContact CD1-CG 4.17Å; Y543-Q547 HydrophobicContact CE2-CG 4.35Å; Y543-Q547 WeakPolarHBondContact O-CB 3.46Å; Y543-Q547 WeakPolarHBondContact O-CG 3.46Å; Y543-Q547 PolarHBondContact O-N 3.3Å; Y543-Q547 PolarHBondContact OH-NE2 2.91Å; Y543-Q547 HydrophobicContact CE1-CG 3.71Å |
| 544 | T | 82.3 | Confident | 76.9 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 35% | 0.35 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.7 | -41.3 | 177.2 | 50.7 | 0 | 0 | 0 | 0 | 111.7 | V540 L541 F546 Q547 F548 | V540-T544 HydrophobicContact CG1-CG2 4.4Å; V540-T544 WeakPolarHBondContact O-CB 3.29Å; V540-T544 VanDerWaalsContact O-CG2 3.29Å; V540-T544 WeakPolarHBondContact O-CG2 3.14Å; V540-T544 PolarHBondContact O-N 2.94Å; V540-T544 PolarHBondContact O-OG1 3.39Å; L541-T544 WeakPolarHBondContact CA-OG1 3.3Å; L541-T544 PolarHBondContact O-N 3.49Å; L541-T544 PolarHBondContact O-OG1 2.86Å; T544-F546 VanDerWaalsContact C-N 3.32Å; T544-F546 PolarHBondContact O-N 3.45Å; T544-Q547 PolarHBondContact O-N 2.89Å; T544-F548 WeakPolarHBondContact O-CB 3.44Å; T544-F548 WeakPolarHBondContact O-CD2 3.22Å; T544-F548 PolarHBondContact O-N 3.39Å |
| 545 | I | 83.9 | Confident | 75 | Confident | 105 Ų | 105 | 105.5 Ų | 105.5 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 173 | -68.7 | 166.1 | 0 | 0 | 0 | 110.7 | L541 I542 F548 K549 | L541-I545 WeakPolarHBondContact O-CB 3.29Å; L541-I545 WeakPolarHBondContact O-CD1 3.4Å; L541-I545 WeakPolarHBondContact O-CG1 3.5Å; L541-I545 PolarHBondContact O-N 3.39Å; I542-I545 PolarHBondContact O-N 3.37Å; I545-F548 PolarHBondContact O-N 3.34Å; I545-K549 WeakPolarHBondContact O-CB 3.39Å; I545-K549 PolarHBondContact O-N 2.88Å |
| 546 | F | 80.7 | Confident | 72.9 | Confident | 152 Ų | 152 | 108.5 Ų | 108.5 | 67% | 0.667 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -66.2 | -40.8 | 178 | -161.3 | -92 | 0 | 0 | 0 | 112.2 | I542 Y543 T544 K549 S550 | I542-F546 WeakPolarHBondContact O-CB 3.36Å; I542-F546 PolarHBondContact O-N 3.32Å; Y543-F546 PolarHBondContact O-N 2.86Å; T544-F546 VanDerWaalsContact C-N 3.32Å; T544-F546 PolarHBondContact O-N 3.45Å; F546-K549 PolarHBondContact O-N 3.48Å; F546-S550 VanDerWaalsContact O-CB 3.22Å; F546-S550 WeakPolarHBondContact O-CB 3.43Å; F546-S550 PolarHBondContact O-N 3.42Å |
| 547 | Q | 75.9 | Confident | 70.6 | Confident | 68 Ų | 68 | 108.6 Ų | 108.6 | 32% | 0.318 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.9 | -40.9 | 173.8 | -80.3 | -74.3 | 15.2 | 0 | 0 | 112.4 | Y543 T544 K549 S550 K551 | Y543-Q547 HydrophobicContact CD1-CG 4.17Å; Y543-Q547 HydrophobicContact CE2-CG 4.35Å; Y543-Q547 WeakPolarHBondContact O-CB 3.46Å; Y543-Q547 WeakPolarHBondContact O-CG 3.46Å; Y543-Q547 PolarHBondContact O-N 3.3Å; Y543-Q547 PolarHBondContact OH-NE2 2.91Å; Y543-Q547 HydrophobicContact CE1-CG 3.71Å; T544-Q547 PolarHBondContact O-N 2.89Å; Q547-K549 VanDerWaalsContact C-N 3.35Å; Q547-S550 PolarHBondContact O-N 3.32Å; Q547-K551 WeakPolarHBondContact O-CB 3.4Å; Q547-K551 WeakPolarHBondContact O-CG 3.44Å; Q547-K551 PolarHBondContact O-N 2.94Å |
| 548 | F | 70.6 | Confident | 68.4 | Low | 166 Ų | 166 | 113.7 Ų | 113.7 | 73% | 0.728 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.8 | -38.6 | 174.7 | -95.9 | -80.1 | 0 | 0 | 0 | 112 | T544 I545 K551 G552 | T544-F548 WeakPolarHBondContact O-CB 3.44Å; T544-F548 WeakPolarHBondContact O-CD2 3.22Å; T544-F548 PolarHBondContact O-N 3.39Å; I545-F548 PolarHBondContact O-N 3.34Å; F548-K551 PolarHBondContact O-N 3.32Å; F548-G552 PolarHBondContact O-N 2.89Å |
| 549 | K | 67.4 | Low | 65.9 | Low | 163 Ų | 163 | 117.5 Ų | 117.5 | 71% | 0.709 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -71.6 | -34.5 | 176.9 | -157.5 | 177.3 | 177.5 | -178.1 | 0 | 112.3 | I545 F546 Q547 A553 | I545-K549 WeakPolarHBondContact O-CB 3.39Å; I545-K549 PolarHBondContact O-N 2.88Å; F546-K549 PolarHBondContact O-N 3.48Å; Q547-K549 VanDerWaalsContact C-N 3.35Å; K549-A553 PolarHBondContact O-N 2.81Å |
| 550 | S | 61.5 | Low | 63.3 | Low | 62 Ų | 62 | 120.5 Ų | 120.5 | 43% | 0.434 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.6 | -40.9 | 173 | 159.4 | 0 | 0 | 0 | 0 | 112.1 | F546 Q547 | F546-S550 VanDerWaalsContact O-CB 3.22Å; F546-S550 WeakPolarHBondContact O-CB 3.43Å; F546-S550 PolarHBondContact O-N 3.42Å; Q547-S550 PolarHBondContact O-N 3.32Å |
| 551 | K | 58.3 | Low | 60.9 | Low | 140 Ų | 140 | 124.4 Ų | 124.4 | 61% | 0.609 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -76.5 | -33.5 | 176.9 | -72.3 | -177.6 | 178.3 | -176.2 | 0 | 113.2 | Q547 F548 A553 Q554 | Q547-K551 WeakPolarHBondContact O-CB 3.4Å; Q547-K551 WeakPolarHBondContact O-CG 3.44Å; Q547-K551 PolarHBondContact O-N 2.94Å; F548-K551 PolarHBondContact O-N 3.32Å; K551-A553 PolarHBondContact O-N 2.92Å; K551-Q554 PolarHBondContact O-N 3.46Å |
| 552 | G | 52.5 | Low | 58.3 | Low | 34 Ų | 34 | 129.3 Ų | 129.3 | 35% | 0.351 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.6 | -22.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | F548 | F548-G552 PolarHBondContact O-N 2.89Å |
| 553 | A | 49.9 | Very low | 55.7 | Low | 65 Ų | 65 | 134.2 Ų | 134.2 | 54% | 0.537 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -77.7 | -16.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114 | K549 K551 | K549-A553 PolarHBondContact O-N 2.81Å; K551-A553 PolarHBondContact O-N 2.92Å |
| 554 | Q | 46.9 | Very low | 53.1 | Low | 158 Ų | 158 | 135.8 Ų | 135.8 | 74% | 0.738 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -90.9 | -18.6 | 176 | -77.7 | -159.8 | -47.5 | 0 | 0 | 114.1 | K551 | K551-Q554 PolarHBondContact O-N 3.46Å |
| 555 | Q | 45.5 | Very low | 50.8 | Low | 151 Ų | 151 | 142.5 Ų | 142.5 | 71% | 0.706 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -83.3 | -22.3 | 177.9 | -100.1 | 167.1 | -35.4 | 0 | 0 | 113.8 | T557 | Q555-T557 VanDerWaalsContact C-N 3.32Å; Q555-T557 PolarHBondContact O-N 3.22Å |
| 556 | N | 43.4 | Very low | 49.3 | Very low | 132 Ų | 132 | 142.3 Ų | 142.3 | 71% | 0.706 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -7.2 | 178.8 | -81.4 | -9.9 | 0 | 0 | 0 | 114.5 | ||
| 557 | T | 41.5 | Very low | 47.1 | Very low | 113 Ų | 113 | 140.2 Ų | 140.2 | 69% | 0.693 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -6.5 | 177.5 | 2.4 | 0 | 0 | 0 | 0 | 114.1 | Q555 | Q555-T557 VanDerWaalsContact C-N 3.32Å; Q555-T557 PolarHBondContact O-N 3.22Å |
| 558 | M | 41.8 | Very low | 45.2 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 87% | 0.867 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -106.8 | -6.8 | -179.5 | -115.8 | -176.3 | -177.8 | 0 | 0 | 114.8 | ||
| 559 | M | 37.8 | Very low | 43.4 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 88% | 0.882 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -117.4 | 26.9 | -177.8 | -135.8 | -179.4 | -165.1 | 0 | 0 | 113.1 | ||
| 560 | Q | 36.8 | Very low | 42 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -110.7 | 1.8 | 171.6 | -110.9 | -176.4 | -10.2 | 0 | 0 | 113.8 | ||
| 561 | H | 38.3 | Very low | 41 | Very low | 169 Ų | 169 | 157.4 Ų | 157.4 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -116.6 | 86.6 | 166.4 | -83.5 | -49.3 | 0 | 0 | 0 | 108.2 | ||
| 562 | Y | 34.3 | Very low | 40.1 | Very low | 209 Ų | 209 | 158.3 Ų | 158.3 | 82% | 0.82 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -174.5 | 122.1 | 135.8 | -98.7 | -63.9 | 0 | 0 | 0 | 110.2 | ||
| 563 | Y | 32.2 | Very low | 39.4 | Very low | 201 Ų | 201 | 164.8 Ų | 164.8 | 79% | 0.788 | 80% | 0.795 | S | S | * | * | trans | 75.9 | 82.5 | 163.2 | -70 | -76 | 0 | 0 | 0 | 120.5 | ||||
| 564 | K | 32.9 | Very low | 38.9 | Very low | 179 Ų | 179 | 170.4 Ų | 170.4 | 78% | 0.778 | 81% | 0.809 | S | S | * | * | trans | -64.7 | 134 | 138.1 | -96.8 | 179.6 | 176.8 | 178.6 | 0 | 111.4 | ||||
| 565 | Y | 33.6 | Very low | 38.4 | Very low | 198 Ų | 198 | 171.1 Ų | 171.1 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | trans | 71.8 | 162 | 146.8 | -69.6 | -61.5 | 0 | 0 | 0 | 119.4 | ||||
| 566 | P | 54.4 | Low | 37.9 | Very low | 101 Ų | 101 | 172.4 Ų | 172.4 | 66% | 0.656 | 82% | 0.82 | S | S | * | * | -138.8 | -170.7 | -83 | 36.4 | -12.7 | 0 | 0 | 0 | 112.7 | |||||
| 567 | V | 33 | Very low | 37.6 | Very low | 109 Ų | 109 | 175.1 Ų | 175.1 | 66% | 0.661 | 83% | 0.828 | S | S | * | * | trans | 75.8 | 123.6 | 146.6 | 170.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 568 | Q | 36.5 | Very low | 37.3 | Very low | 174 Ų | 174 | 179.5 Ų | 179.5 | 81% | 0.813 | 84% | 0.838 | S | S | * | * | trans | 62.6 | 153.6 | 144.7 | -73.6 | 164.5 | -88.3 | 0 | 0 | 122.5 | ||||
| 569 | E | 33.2 | Very low | 37 | Very low | 179 Ų | 179 | 179.8 Ų | 179.8 | 84% | 0.836 | 84% | 0.835 | S | S | * | * | trans | 87.5 | 92.5 | 168.3 | -57.1 | -171 | 159.2 | 0 | 0 | 114.9 | ||||
| 570 | W | 38.4 | Very low | 36.9 | Very low | 250 Ų | 250 | 179.8 Ų | 179.8 | 95% | 0.947 | 83% | 0.831 | S | S | * | * | 43.4 | 103.6 | 87.2 | -78.4 | 71 | 0 | 0 | 0 | 113.6 | |||||
| 571 | V | 39.2 | Very low | 36.9 | Very low | 217 Ų | 217 | 180.5 Ų | 180.5 | 100% | 1.315 | 83% | 0.834 | S | S | * | * | -162.4 | 0 | 116.6 | 155.7 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 571 of 571 residues in 1042.7 ms
(Link to these results)