| 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 | D | 36.7 | Very low | 32.6 | Very low | 220 Ų | 220 | 165.5 Ų | 165.5 | 100% | 1.176 | 83% | 0.828 | S | S | * | * | 0 | 107.8 | 0 | -63.3 | -26.4 | 0 | 0 | 0 | 111.8 | |||||
| 2 | L | 37.1 | Very low | 34.2 | Very low | 169 Ų | 169 | 157.8 Ų | 157.8 | 89% | 0.885 | 81% | 0.81 | S | S | * | * | trans | -71.8 | 163.6 | 166.6 | -93.9 | 134 | 0 | 0 | 0 | 110.1 | ||||
| 3 | Q | 29.2 | Very low | 36.1 | Very low | 169 Ų | 169 | 149.8 Ų | 149.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | 90 | 127.4 | 163 | -67.5 | -178.6 | 2 | 0 | 0 | 116.2 | ||||
| 4 | L | 32.5 | Very low | 38.5 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | cis | -153.7 | 119.9 | 11.5 | -99.1 | 144.5 | 0 | 0 | 0 | 110.2 | I6 | L4-I6 HydrophobicContact CD2-CD1 4.26Å; L4-I6 HydrophobicContact CD2-CG1 3.99Å; L4-I6 PolarHBondContact O-N 3.5Å | ||
| 5 | N | 34.7 | Very low | 41.7 | Very low | 150 Ų | 150 | 138.1 Ų | 138.1 | 80% | 0.802 | 73% | 0.726 | S | S | * | * | trans | -65.9 | 117.3 | 147 | -98.8 | -29.7 | 0 | 0 | 0 | 107.5 | ||||
| 6 | I | 31.3 | Very low | 44.7 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 66% | 0.662 | 68% | 0.682 | S | S | * | * | trans | -124.8 | 86.2 | 150.1 | -55.5 | 178.2 | 0 | 0 | 0 | 105.5 | L4 E8 | L4-I6 HydrophobicContact CD2-CD1 4.26Å; L4-I6 HydrophobicContact CD2-CG1 3.99Å; L4-I6 PolarHBondContact O-N 3.5Å; I6-E8 VanDerWaalsContact C-N 3.27Å; I6-E8 HydrophobicContact CG2-CG 4.2Å; I6-E8 PolarHBondContact O-N 3.2Å | ||
| 7 | R | 29.3 | Very low | 47.3 | Very low | 222 Ų | 222 | 124.9 Ų | 124.9 | 84% | 0.838 | 65% | 0.653 | S | S | * | * | trans | -69.2 | 100.7 | 148.9 | -71.7 | -178.3 | 178.8 | -172.8 | -1 | 104 | E9 | R7-E9 PolarHBondContact O-N 2.85Š| ||
| 8 | E | 30.5 | Very low | 49.6 | Very low | 176 Ų | 176 | 119.7 Ų | 119.7 | 82% | 0.822 | 63% | 0.631 | S | S | * | * | trans | -60 | 92.8 | 156.2 | -98.5 | 180 | 152.3 | 0 | 0 | 105.5 | I6 A10 | I6-E8 VanDerWaalsContact C-N 3.27Å; I6-E8 HydrophobicContact CG2-CG 4.2Å; I6-E8 PolarHBondContact O-N 3.2Å; E8-A10 PolarHBondContact O-N 2.87Å | ||
| 9 | E | 29.4 | Very low | 51.7 | Low | 180 Ų | 180 | 115.2 Ų | 115.2 | 84% | 0.841 | 61% | 0.608 | S | S | * | * | trans | -57.1 | 94.6 | 149.1 | -78.3 | -176.8 | 162.7 | 0 | 0 | 104.8 | R7 E11 | R7-E9 PolarHBondContact O-N 2.85Å; E9-E11 VanDerWaalsContact C-N 3.32Å; E9-E11 PolarHBondContact O-N 2.81Å | ||
| 10 | A | 31.8 | Very low | 53.6 | Low | 92 Ų | 92 | 109.6 Ų | 109.6 | 76% | 0.76 | 58% | 0.579 | S | S | * | * | trans | -55.2 | 103.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 106.5 | E8 A12 | E8-A10 PolarHBondContact O-N 2.87Å; A10-A12 PolarHBondContact O-N 3.08Å; A10-A12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | E | 36.7 | Very low | 55.2 | Low | 183 Ų | 183 | 112.6 Ų | 112.6 | 86% | 0.855 | 58% | 0.582 | S | S | * | * | trans | -45.3 | 122.8 | 173.2 | -85.7 | -175.6 | 149.4 | 0 | 0 | 107.2 | E9 P13 | E9-E11 VanDerWaalsContact C-N 3.32Å; E9-E11 PolarHBondContact O-N 2.81Å; E11-P13 VanDerWaalsContact O-N 3.12Å | ||
| 12 | A | 51.2 | Low | 57.7 | Low | 74 Ų | 74 | 108.9 Ų | 108.9 | 61% | 0.612 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 127.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | A10 | A10-A12 PolarHBondContact O-N 3.08Å; A10-A12 VanDerWaalsContact O-N 3.08Å |
| 13 | P | 58.8 | Low | 60.3 | Low | 53 Ų | 53 | 102.3 Ų | 102.3 | 34% | 0.344 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 138.7 | -173.3 | -13.4 | 9.6 | 0 | 0 | 0 | 109.9 | E11 S15 Q264 | E11-P13 VanDerWaalsContact O-N 3.12Å; P13-S15 PolarHBondContact O-N 3.2Å; P13-Q264 PolarHBondContact O-NE2 3.26Å |
| 14 | P | 69.9 | Low | 63.3 | Low | 90 Ų | 90 | 99 Ų | 99 | 58% | 0.584 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -53.4 | 134.8 | -174.7 | 20.2 | -31.6 | 0 | 0 | 0 | 109.2 | A18 V19 | P14-A18 HydrophobicContact CB-CB 4.14Å; P14-V19 HydrophobicContact CB-CG2 4.42Å; P14-V19 HydrophobicContact CG-CG2 4.24Å |
| 15 | S | 86.4 | Confident | 66.2 | Low | 34 Ų | 34 | 96.8 Ų | 96.8 | 24% | 0.238 | 51% | 0.513 | C | S | . | . | P | Polyproline II helix | trans | -52.5 | 148.9 | 175.5 | 70.9 | 0 | 0 | 0 | 0 | 109.8 | P13 R17 A18 V19 D263 | P13-S15 PolarHBondContact O-N 3.2Å; S15-R17 PolarHBondContact O-N 3.27Å; S15-A18 WeakPolarHBondContact O-CA 3.33Å; S15-A18 WeakPolarHBondContact O-CB 3.45Å; S15-A18 PolarHBondContact O-N 3.45Å; S15-A18 PolarHBondContact OG-N 3.01Å; S15-V19 PolarHBondContact O-N 3.05Å; S15-D263 CarbonylContact C-O 3.48Å; S15-D263 WeakPolarHBondContact CA-O 3.38Å |
| 16 | L | 90.2 | Very high | 68.9 | Low | 3 Ų | 3 | 90.3 Ų | 90.3 | 2% | 0.016 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -53.7 | -30.6 | 176.4 | 68.2 | 86.7 | 0 | 0 | 0 | 111.8 | A18 V19 M20 F32 L259 C262 D263 V265 V313 | L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 3.3Å; L16-V19 PolarHBondContact O-N 2.69Å; L16-M20 HydrophobicContact CD1-CE 3.95Å; L16-M20 HydrophobicContact CD1-SD 4.28Å; L16-M20 WeakPolarHBondContact O-CB 3.45Å; L16-M20 VanDerWaalsContact O-CG 3.29Å; L16-M20 WeakPolarHBondContact O-CG 3.46Å; L16-M20 PolarHBondContact O-N 3.29Å; L16-F32 HydrophobicContact CD1-CE1 3.99Å; L16-F32 HydrophobicContact CD1-CZ 3.75Å; L16-L259 VanDerWaalsContact CD1-O 3.24Å; L16-L259 WeakPolarHBondContact CD1-O 3.38Å; L16-L259 HydrophobicContact CD2-CD2 4.19Å; L16-C262 WeakPolarHBondContact CD2-O 3.3Å; L16-D263 PolarHBondContact N-O 3.03Å; L16-V265 HydrophobicContact CD2-CG2 3.9Å; L16-V313 HydrophobicContact CB-CG1 4.31Å |
| 17 | R | 88.6 | Confident | 71.7 | Confident | 50 Ų | 50 | 90.2 Ų | 90.2 | 19% | 0.189 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -68.9 | -30.5 | 176.5 | -61.7 | -172.3 | -172.6 | 87.1 | 3.2 | 112.8 | S15 R21 F32 H260 T261 C262 D263 | S15-R17 PolarHBondContact O-N 3.27Å; R17-R21 VanDerWaalsContact O-CG 3.31Å; R17-R21 WeakPolarHBondContact O-CG 3.27Å; R17-R21 PolarHBondContact O-N 3.41Å; R17-R21 VanDerWaalsContact O-N 3.17Å; R17-R21 PolarHBondContact O-NE 3.17Å; R17-F32 HydrophobicContact CG-CD1 4.28Å; R17-F32 HydrophobicContact CG-CE1 3.81Å; R17-F32 HydrophobicContact CG-CE2 4.12Å; R17-F32 HydrophobicContact CG-CZ 3.72Å; R17-H260 PolarHBondContact NH2-O 2.82Å; R17-T261 PolarHBondContact NH2-O 3.17Å; R17-C262 PolarHBondContact NH1-O 3.39Å; R17-D263 IonicContact NH1-OD1 2.77Å; R17-D263 PolarHBondContact NH1-OD1 3.17Å |
| 18 | A | 87.9 | Confident | 74.6 | Confident | 31 Ų | 31 | 84 Ų | 84 | 26% | 0.256 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.9 | -43.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P14 S15 L16 M20 R21 N22 | P14-A18 HydrophobicContact CB-CB 4.14Å; S15-A18 WeakPolarHBondContact O-CA 3.33Å; S15-A18 WeakPolarHBondContact O-CB 3.45Å; S15-A18 PolarHBondContact O-N 3.45Å; S15-A18 PolarHBondContact OG-N 3.01Å; L16-A18 VanDerWaalsContact C-N 3.34Å; L16-A18 PolarHBondContact O-N 3.3Å; A18-M20 PolarHBondContact O-N 3.48Å; A18-R21 PolarHBondContact O-N 2.77Å; A18-N22 PolarHBondContact O-ND2 2.78Å |
| 19 | V | 90.1 | Very high | 77.5 | Confident | 33 Ų | 33 | 81.6 Ų | 81.6 | 20% | 0.2 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -58.1 | -48.9 | 174 | 179.4 | 0 | 0 | 0 | 0 | 110.9 | P14 S15 L16 R21 N22 D23 R311 V313 | P14-V19 HydrophobicContact CB-CG2 4.42Å; P14-V19 HydrophobicContact CG-CG2 4.24Å; S15-V19 PolarHBondContact O-N 3.05Å; L16-V19 PolarHBondContact O-N 2.69Å; V19-R21 VanDerWaalsContact C-N 3.33Å; V19-R21 PolarHBondContact O-N 2.91Å; V19-N22 PolarHBondContact O-N 3.21Å; V19-N22 VanDerWaalsContact O-N 3.17Å; V19-D23 PolarHBondContact O-N 3.09Å; V19-R311 WeakPolarHBondContact CG1-O 3.35Å; V19-V313 HydrophobicContact CB-CG2 4.3Å; V19-V313 HydrophobicContact CG1-CG2 3.7Å |
| 20 | M | 89.8 | Confident | 80.4 | Confident | 4 Ų | 4 | 73.9 Ų | 73.9 | 2% | 0.02 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -65.1 | -31.8 | 180 | -72.6 | -172.2 | -174 | 0 | 0 | 114 | L16 A18 N22 D23 L26 F30 F32 V313 | L16-M20 HydrophobicContact CD1-CE 3.95Å; L16-M20 HydrophobicContact CD1-SD 4.28Å; L16-M20 WeakPolarHBondContact O-CB 3.45Å; L16-M20 VanDerWaalsContact O-CG 3.29Å; L16-M20 WeakPolarHBondContact O-CG 3.46Å; L16-M20 PolarHBondContact O-N 3.29Å; A18-M20 PolarHBondContact O-N 3.48Å; M20-N22 PolarHBondContact O-N 3.03Å; M20-D23 PolarHBondContact O-N 3.01Å; M20-L26 HydrophobicContact CB-CB 4.41Å; M20-L26 HydrophobicContact CG-CB 4.22Å; M20-L26 HydrophobicContact CG-CD1 4.11Å; M20-F30 HydrophobicContact CE-CD1 3.48Å; M20-F30 VanDerWaalsContact CE-CD1 3.48Å; M20-F30 HydrophobicContact CE-CD2 3.94Å; M20-F30 HydrophobicContact CE-CE1 3.45Å; M20-F30 VanDerWaalsContact CE-CE1 3.45Å; M20-F30 HydrophobicContact CE-CE2 3.93Å; M20-F30 HydrophobicContact CE-CG 3.73Å; M20-F30 HydrophobicContact CE-CZ 3.68Å; M20-F30 HydrophobicContact SD-CB 3.69Å; M20-F30 HydrophobicContact SD-CD1 3.68Å; M20-F30 HydrophobicContact SD-CD2 3.94Å; M20-F30 HydrophobicContact SD-CE1 4.28Å; M20-F30 HydrophobicContact SD-CG 3.47Å; M20-F30 WeakPolarHBondContact SD-CG 3.38Å; M20-F32 HydrophobicContact CE-CZ 4.22Å; M20-F32 HydrophobicContact SD-CE2 3.58Å; M20-F32 VanDerWaalsContact SD-CE2 3.58Å; M20-F32 HydrophobicContact SD-CZ 3.33Å; M20-F32 WeakPolarHBondContact SD-CZ 3.11Å; M20-V313 HydrophobicContact CE-CG1 3.35Å; M20-V313 HydrophobicContact CE-CG2 4.38Å; M20-V313 HydrophobicContact CG-CG2 4.05Å |
| 21 | R | 87.6 | Confident | 83.2 | Confident | 173 Ų | 173 | 71.1 Ų | 71.1 | 65% | 0.653 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -63.8 | -26.3 | 176.2 | -86.5 | -176.4 | -110.4 | -172 | -4.5 | 112.7 | R17 A18 V19 | R17-R21 VanDerWaalsContact O-CG 3.31Å; R17-R21 WeakPolarHBondContact O-CG 3.27Å; R17-R21 PolarHBondContact O-N 3.41Å; R17-R21 VanDerWaalsContact O-N 3.17Å; R17-R21 PolarHBondContact O-NE 3.17Å; A18-R21 PolarHBondContact O-N 2.77Å; V19-R21 VanDerWaalsContact C-N 3.33Å; V19-R21 PolarHBondContact O-N 2.91Å |
| 22 | N | 89 | Confident | 85.6 | Confident | 142 Ų | 142 | 66 Ų | 66 | 76% | 0.759 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | 0.2 | -177.8 | -62.9 | -24.8 | 0 | 0 | 0 | 113.2 | A18 V19 M20 | A18-N22 PolarHBondContact O-ND2 2.78Å; V19-N22 PolarHBondContact O-N 3.21Å; V19-N22 VanDerWaalsContact O-N 3.17Å; M20-N22 PolarHBondContact O-N 3.03Å |
| 23 | D | 92.3 | Very high | 87.1 | Confident | 30 Ų | 30 | 67.6 Ų | 67.6 | 16% | 0.16 | 37% | 0.37 | C | S | . | . | trans | -114.1 | 107.9 | 175.1 | -177.6 | -45.2 | 0 | 0 | 0 | 109.6 | V19 M20 V25 L26 Q27 R311 | V19-D23 PolarHBondContact O-N 3.09Å; M20-D23 PolarHBondContact O-N 3.01Å; D23-V25 VanDerWaalsContact C-N 3.26Å; D23-V25 PolarHBondContact O-N 3.36Å; D23-V25 WeakPolarHBondContact OD1-CA 3.44Å; D23-V25 WeakPolarHBondContact OD1-CB 3.34Å; D23-V25 PolarHBondContact OD1-N 3.2Å; D23-L26 HydrophobicContact CB-CB 4.02Å; D23-L26 HydrophobicContact CB-CD1 3.92Å; D23-L26 HydrophobicContact CB-CG 4.03Å; D23-L26 PolarHBondContact O-N 2.88Å; D23-L26 PolarHBondContact OD1-N 3.3Å; D23-Q27 WeakPolarHBondContact O-CB 3.45Å; D23-Q27 PolarHBondContact O-N 3.18Å; D23-R311 WeakPolarHBondContact OD2-CD 3.43Å; D23-R311 IonicContact OD2-NE 3.6Å; D23-R311 PolarHBondContact OD2-NE 3.45Å | ||
| 24 | P | 92.5 | Very high | 88.2 | Confident | 99 Ų | 99 | 66.9 Ų | 66.9 | 64% | 0.643 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -59.3 | -32.9 | -177.3 | -25.9 | 34.3 | 0 | 0 | 0 | 114.2 | S28 | P24-S28 PolarHBondContact O-N 2.83Å; P24-S28 VanDerWaalsContact O-N 3.13Å |
| 25 | V | 91.6 | Very high | 88.8 | Confident | 85 Ų | 85 | 64.2 Ų | 64.2 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -68.5 | -47.5 | 179 | 178.5 | 0 | 0 | 0 | 0 | 109 | D23 S28 R29 | D23-V25 VanDerWaalsContact C-N 3.26Å; D23-V25 PolarHBondContact O-N 3.36Å; D23-V25 WeakPolarHBondContact OD1-CA 3.44Å; D23-V25 WeakPolarHBondContact OD1-CB 3.34Å; D23-V25 PolarHBondContact OD1-N 3.2Å; V25-S28 PolarHBondContact O-N 2.88Å; V25-S28 PolarHBondContact O-OG 3.02Å; V25-R29 WeakPolarHBondContact O-CG 3.36Å; V25-R29 PolarHBondContact O-N 3.45Å |
| 26 | L | 91.6 | Very high | 88.8 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 7% | 0.068 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 177.2 | -64.2 | -179.4 | 0 | 0 | 0 | 112.1 | M20 D23 S28 R29 F30 L308 R311 V313 | M20-L26 HydrophobicContact CB-CB 4.41Å; M20-L26 HydrophobicContact CG-CB 4.22Å; M20-L26 HydrophobicContact CG-CD1 4.11Å; D23-L26 HydrophobicContact CB-CB 4.02Å; D23-L26 HydrophobicContact CB-CD1 3.92Å; D23-L26 HydrophobicContact CB-CG 4.03Å; D23-L26 PolarHBondContact O-N 2.88Å; D23-L26 PolarHBondContact OD1-N 3.3Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.44Å; L26-R29 PolarHBondContact O-N 2.91Å; L26-F30 HydrophobicContact CB-CD2 4.45Å; L26-F30 HydrophobicContact CD2-CD2 4.25Å; L26-F30 HydrophobicContact CD2-CE2 4.02Å; L26-F30 WeakPolarHBondContact O-CB 3.24Å; L26-F30 PolarHBondContact O-N 3.04Å; L26-L308 HydrophobicContact CD2-CD2 3.82Å; L26-R311 HydrophobicContact CD1-CB 4.38Å; L26-V313 HydrophobicContact CD1-CG2 3.6Å |
| 27 | Q | 90.7 | Very high | 88.4 | Confident | 127 Ų | 127 | 62.6 Ų | 62.6 | 59% | 0.593 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -59.7 | -38.4 | 177.1 | -170 | -176.1 | 47.5 | 0 | 0 | 112.3 | D23 R29 | D23-Q27 WeakPolarHBondContact O-CB 3.45Å; D23-Q27 PolarHBondContact O-N 3.18Å; Q27-R29 PolarHBondContact O-N 3.35Å |
| 28 | S | 90.7 | Very high | 87.8 | Confident | 93 Ų | 93 | 60.6 Ų | 60.6 | 65% | 0.65 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -71.8 | -17.3 | 177.3 | 72.2 | 0 | 0 | 0 | 0 | 114.1 | P24 V25 L26 | P24-S28 PolarHBondContact O-N 2.83Å; P24-S28 VanDerWaalsContact O-N 3.13Å; V25-S28 PolarHBondContact O-N 2.88Å; V25-S28 PolarHBondContact O-OG 3.02Å; L26-S28 VanDerWaalsContact C-N 3.28Å; L26-S28 PolarHBondContact O-N 3.44Å |
| 29 | R | 90.7 | Very high | 87 | Confident | 125 Ų | 125 | 60.6 Ų | 60.6 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -108.8 | -32.2 | -171.1 | -66.5 | -80.2 | 178.4 | -179.1 | 0.3 | 112.7 | V25 L26 Q27 Y229 S233 L234 | V25-R29 WeakPolarHBondContact O-CG 3.36Å; V25-R29 PolarHBondContact O-N 3.45Å; L26-R29 PolarHBondContact O-N 2.91Å; Q27-R29 PolarHBondContact O-N 3.35Å; R29-Y229 WeakPolarHBondContact O-CE2 3.41Å; R29-Y229 PolarHBondContact O-OH 3.45Å; R29-S233 WeakPolarHBondContact CD-O 3.29Å; R29-S233 PolarHBondContact NH1-O 3.32Å; R29-L234 HydrophobicContact CB-CD2 3.87Å; R29-L234 WeakPolarHBondContact O-CD2 3.48Å |
| 30 | F | 91.3 | Very high | 85.7 | Confident | 17 Ų | 17 | 60.9 Ų | 60.9 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | trans | -95.7 | 127.2 | -177.9 | -81.9 | -95.9 | 0 | 0 | 0 | 112.7 | M20 L26 F32 Y229 L234 H260 L308 | M20-F30 HydrophobicContact CE-CD1 3.48Å; M20-F30 VanDerWaalsContact CE-CD1 3.48Å; M20-F30 HydrophobicContact CE-CD2 3.94Å; M20-F30 HydrophobicContact CE-CE1 3.45Å; M20-F30 VanDerWaalsContact CE-CE1 3.45Å; M20-F30 HydrophobicContact CE-CE2 3.93Å; M20-F30 HydrophobicContact CE-CG 3.73Å; M20-F30 HydrophobicContact CE-CZ 3.68Å; M20-F30 HydrophobicContact SD-CB 3.69Å; M20-F30 HydrophobicContact SD-CD1 3.68Å; M20-F30 HydrophobicContact SD-CD2 3.94Å; M20-F30 HydrophobicContact SD-CE1 4.28Å; M20-F30 HydrophobicContact SD-CG 3.47Å; M20-F30 WeakPolarHBondContact SD-CG 3.38Å; L26-F30 HydrophobicContact CB-CD2 4.45Å; L26-F30 HydrophobicContact CD2-CD2 4.25Å; L26-F30 HydrophobicContact CD2-CE2 4.02Å; L26-F30 WeakPolarHBondContact O-CB 3.24Å; L26-F30 PolarHBondContact O-N 3.04Å; F30-F32 HydrophobicContact CB-CE2 4.18Å; F30-F32 HydrophobicContact CD1-CZ 4.5Å; F30-Y229 VanDerWaalsContact CA-OH 3.26Å; F30-Y229 WeakPolarHBondContact CA-OH 3.25Å; F30-L234 HydrophobicContact CD1-CD1 4.44Å; F30-L234 HydrophobicContact CD2-CD2 3.89Å; F30-L234 HydrophobicContact CE1-CD1 3.88Å; F30-L234 HydrophobicContact CE1-CD2 4.48Å; F30-L234 HydrophobicContact CE2-CD1 4.36Å; F30-L234 HydrophobicContact CE2-CD2 3.6Å; F30-L234 HydrophobicContact CG-CD2 4.45Å; F30-L234 HydrophobicContact CZ-CD1 3.84Å; F30-L234 HydrophobicContact CZ-CD2 3.93Å; F30-H260 AromaticContact CD1-CE1 3.67Å; F30-H260 AromaticContact CD1-NE2 3.66Å; F30-H260 AromaticContact CE1-CE1 3.68Å; F30-L308 HydrophobicContact CE2-CD2 4.09Å; F30-L308 HydrophobicContact CZ-CD1 4.36Å; F30-L308 HydrophobicContact CZ-CD2 4.16Å | ||
| 31 | S | 90 | Very high | 84.4 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 25% | 0.245 | 35% | 0.352 | C | S | . | . | trans | -123.6 | 107.7 | 175.6 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | S33 Y229 | S31-S33 PolarHBondContact OG-OG 3.17Å; S31-Y229 PolarHBondContact N-OH 2.84Å | ||
| 32 | F | 86.3 | Confident | 83.2 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 33% | 0.329 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | -6.2 | 178.9 | -65.7 | -77.3 | 0 | 0 | 0 | 114 | L16 R17 M20 F30 | L16-F32 HydrophobicContact CD1-CE1 3.99Å; L16-F32 HydrophobicContact CD1-CZ 3.75Å; R17-F32 HydrophobicContact CG-CD1 4.28Å; R17-F32 HydrophobicContact CG-CE1 3.81Å; R17-F32 HydrophobicContact CG-CE2 4.12Å; R17-F32 HydrophobicContact CG-CZ 3.72Å; M20-F32 HydrophobicContact CE-CZ 4.22Å; M20-F32 HydrophobicContact SD-CE2 3.58Å; M20-F32 VanDerWaalsContact SD-CE2 3.58Å; M20-F32 HydrophobicContact SD-CZ 3.33Å; M20-F32 WeakPolarHBondContact SD-CZ 3.11Å; F30-F32 HydrophobicContact CB-CE2 4.18Å; F30-F32 HydrophobicContact CD1-CZ 4.5Å |
| 33 | S | 83.9 | Confident | 81.9 | Confident | 108 Ų | 108 | 52.3 Ų | 52.3 | 76% | 0.755 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -13.9 | 177.5 | 58 | 0 | 0 | 0 | 0 | 112.9 | S31 | S31-S33 PolarHBondContact OG-OG 3.17Š|
| 34 | L | 82.1 | Confident | 80.5 | Confident | 38 Ų | 38 | 52.8 Ų | 52.8 | 20% | 0.199 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -74.3 | 140 | 178.8 | -69.2 | 174.6 | 0 | 0 | 0 | 111.2 | V36 Y229 | L34-V36 PolarHBondContact O-N 3.38Å; L34-Y229 HydrophobicContact CD1-CD1 3.74Å; L34-Y229 HydrophobicContact CD1-CD2 3.58Å; L34-Y229 HydrophobicContact CD1-CE1 4.39Å; L34-Y229 HydrophobicContact CD1-CE2 4.28Å; L34-Y229 HydrophobicContact CD1-CG 3.3Å |
| 35 | P | 82.2 | Confident | 79 | Confident | 33 Ų | 33 | 58.9 Ų | 58.9 | 21% | 0.214 | 32% | 0.318 | C | S | . | . | trans | -69.3 | 121.5 | 174.8 | 27.2 | -32.3 | 0 | 0 | 0 | 110.6 | W39 H223 F226 | P35-W39 HydrophobicContact CB-CE3 4.41Å; P35-W39 HydrophobicContact CB-CH2 4Å; P35-W39 HydrophobicContact CB-CZ3 3.39Å; P35-W39 HydrophobicContact CG-CH2 4.35Å; P35-W39 HydrophobicContact CG-CZ3 4.01Å; P35-H223 VanDerWaalsContact O-CB 3.28Å; P35-H223 WeakPolarHBondContact O-CB 3.38Å; P35-F226 WeakPolarHBondContact O-CB 3.35Å | ||
| 36 | V | 85.8 | Confident | 77.6 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -76 | -35.6 | 177 | 176.2 | 0 | 0 | 0 | 0 | 111.3 | L34 C87 L222 H223 F226 T257 H260 T261 | L34-V36 PolarHBondContact O-N 3.38Å; V36-C87 HydrophobicContact CB-CB 4.47Å; V36-C87 VanDerWaalsContact CB-SG 3.59Å; V36-C87 HydrophobicContact CG2-CB 4.31Å; V36-C87 VanDerWaalsContact CG2-SG 3.54Å; V36-C87 PolarHBondContact N-SG 2.99Å; V36-C87 VanDerWaalsContact N-SG 3.37Å; V36-L222 HydrophobicContact CG1-CD2 4.32Å; V36-H223 PolarHBondContact O-N 2.92Å; V36-F226 HydrophobicContact CG1-CD1 4.06Å; V36-F226 HydrophobicContact CG1-CE1 3.82Å; V36-F226 HydrophobicContact CG1-CZ 4.1Å; V36-F226 HydrophobicContact CG2-CD2 4.1Å; V36-F226 HydrophobicContact CG2-CE2 3.84Å; V36-F226 HydrophobicContact CG2-CZ 4.05Å; V36-T257 HydrophobicContact CG1-CG2 3.83Å; V36-H260 HydrophobicContact CG2-CB 3.74Å; V36-T261 HydrophobicContact CB-CG2 4.31Å; V36-T261 HydrophobicContact CG1-CG2 4.1Å; V36-T261 HydrophobicContact CG2-CG2 4.04Å |
| 37 | L | 82.5 | Confident | 76.3 | Confident | 1 Ų | 1 | 60.1 Ų | 60.1 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | B | Isolated β-bridge | trans | -114.5 | 149.9 | -176.3 | -62.8 | -179.3 | 0 | 0 | 0 | 111.9 | M90 L91 R220 M221 L222 | L37-M90 HydrophobicContact CB-CE 3.43Å; L37-M90 VanDerWaalsContact CB-CE 3.43Å; L37-M90 HydrophobicContact CB-SD 3.87Å; L37-M90 HydrophobicContact CD1-CB 3.78Å; L37-M90 HydrophobicContact CD1-CE 3.95Å; L37-M90 HydrophobicContact CD1-SD 4.38Å; L37-M90 HydrophobicContact CG-CE 4.36Å; L37-L91 HydrophobicContact CD1-CD1 4.22Å; L37-L91 HydrophobicContact CD1-CD2 3.76Å; L37-L91 HydrophobicContact CD1-CG 3.69Å; L37-R220 HydrophobicContact CD1-CB 4.34Å; L37-R220 HydrophobicContact CD1-CG 4.24Å; L37-R220 HydrophobicContact CD2-CB 4.29Å; L37-M221 CarbonylContact C-O 3.58Å; L37-M221 VanDerWaalsContact CA-O 3.31Å; L37-M221 WeakPolarHBondContact CA-O 3.29Å; L37-M221 WeakPolarHBondContact CD2-O 3.48Å; L37-L222 HydrophobicContact CD2-CD2 3.9Å |
| 38 | Q | 75.8 | Confident | 75 | Confident | 8 Ų | 8 | 56.5 Ų | 56.5 | 4% | 0.037 | 31% | 0.313 | C | S | . | . | trans | -76.2 | 139.4 | 170.8 | -166.8 | 71.4 | 35.7 | 0 | 0 | 110.2 | S42 L75 M221 H223 P224 | Q38-S42 PolarHBondContact NE2-OG 3.33Å; Q38-L75 HydrophobicContact CB-CD1 4.42Å; Q38-L75 HydrophobicContact CB-CD2 4.43Å; Q38-L75 HydrophobicContact CG-CD1 3.83Å; Q38-M221 HydrophobicContact CB-CB 4.1Å; Q38-M221 HydrophobicContact CB-CG 4.21Å; Q38-M221 HydrophobicContact CB-SD 4.37Å; Q38-M221 HydrophobicContact CG-SD 4.46Å; Q38-M221 PolarHBondContact N-O 3.1Å; Q38-H223 PolarHBondContact OE1-CD2 3.21Å; Q38-P224 VanDerWaalsContact OE1-CD 3.26Å | ||
| 39 | W | 70.1 | Confident | 73.7 | Confident | 32 Ų | 32 | 55.5 Ų | 55.5 | 12% | 0.121 | 30% | 0.302 | C | S | . | . | trans | -141.6 | 165.8 | 171 | 77.4 | 107.3 | 0 | 0 | 0 | 111.3 | P35 G41 S42 A84 M90 | P35-W39 HydrophobicContact CB-CE3 4.41Å; P35-W39 HydrophobicContact CB-CH2 4Å; P35-W39 HydrophobicContact CB-CZ3 3.39Å; P35-W39 HydrophobicContact CG-CH2 4.35Å; P35-W39 HydrophobicContact CG-CZ3 4.01Å; W39-G41 VanDerWaalsContact C-N 3.28Å; W39-G41 PolarHBondContact O-N 3Å; W39-S42 VanDerWaalsContact CZ3-CB 3.48Å; W39-S42 PolarHBondContact N-OG 3.24Å; W39-S42 PolarHBondContact O-N 3.11Å; W39-S42 VanDerWaalsContact O-N 3.08Å; W39-S42 PolarHBondContact O-OG 3.2Å; W39-A84 HydrophobicContact CH2-CB 3.65Å; W39-A84 HydrophobicContact CZ2-CB 3.35Å; W39-M90 HydrophobicContact CB-CE 3.98Å | ||
| 40 | A | 63.6 | Low | 72.6 | Confident | 38 Ų | 38 | 56.3 Ų | 56.3 | 31% | 0.314 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -54.4 | -40 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S42 W43 I76 | A40-S42 VanDerWaalsContact C-N 3.3Å; A40-S42 PolarHBondContact O-N 3.2Å; A40-W43 VanDerWaalsContact O-CB 3.23Å; A40-W43 WeakPolarHBondContact O-CB 3.31Å; A40-W43 PolarHBondContact O-N 2.89Å; A40-W43 VanDerWaalsContact O-N 3.12Å; A40-I76 HydrophobicContact CB-CG1 3.96Å |
| 41 | G | 62.5 | Low | 71.3 | Confident | 55 Ų | 55 | 56.8 Ų | 56.8 | 57% | 0.567 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -72 | -17.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115 | W39 W43 | W39-G41 VanDerWaalsContact C-N 3.28Å; W39-G41 PolarHBondContact O-N 3Å; G41-W43 PolarHBondContact O-N 3.46Å |
| 42 | S | 63.3 | Low | 70 | Confident | 14 Ų | 14 | 58.8 Ų | 58.8 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -79.3 | -2.4 | 171.2 | 58.5 | 0 | 0 | 0 | 0 | 113.3 | Q38 W39 A40 S44 | Q38-S42 PolarHBondContact NE2-OG 3.33Å; W39-S42 VanDerWaalsContact CZ3-CB 3.48Å; W39-S42 PolarHBondContact N-OG 3.24Å; W39-S42 PolarHBondContact O-N 3.11Å; W39-S42 VanDerWaalsContact O-N 3.08Å; W39-S42 PolarHBondContact O-OG 3.2Å; A40-S42 VanDerWaalsContact C-N 3.3Å; A40-S42 PolarHBondContact O-N 3.2Å; S42-S44 PolarHBondContact O-N 2.82Å |
| 43 | W | 60.9 | Low | 68.8 | Low | 70 Ų | 70 | 59.6 Ų | 59.6 | 27% | 0.265 | 33% | 0.327 | S | S | . | . | trans | -91.2 | 98.5 | 177.9 | -159.5 | -84.7 | 0 | 0 | 0 | 111.3 | A40 G41 W48 W60 T68 I72 | A40-W43 VanDerWaalsContact O-CB 3.23Å; A40-W43 WeakPolarHBondContact O-CB 3.31Å; A40-W43 PolarHBondContact O-N 2.89Å; A40-W43 VanDerWaalsContact O-N 3.12Å; G41-W43 PolarHBondContact O-N 3.46Å; W43-W48 AromaticContact CH2-CE3 3.42Å; W43-W48 HydrophobicContact CH2-CE3 3.42Å; W43-W48 VanDerWaalsContact CH2-CE3 3.42Å; W43-W48 HydrophobicContact CH2-CH2 4.38Å; W43-W48 AromaticContact CH2-CZ3 3.26Å; W43-W48 HydrophobicContact CH2-CZ3 3.26Å; W43-W48 HydrophobicContact CZ2-CD2 4.03Å; W43-W48 AromaticContact CZ2-CE3 3.13Å; W43-W48 HydrophobicContact CZ2-CE3 3.13Å; W43-W48 HydrophobicContact CZ2-CH2 4.29Å; W43-W48 AromaticContact CZ2-CZ3 3.32Å; W43-W48 HydrophobicContact CZ2-CZ3 3.32Å; W43-W48 HydrophobicContact CZ3-CE3 4.46Å; W43-W48 HydrophobicContact CZ3-CZ3 4.46Å; W43-W60 HydrophobicContact CE3-CZ2 4.45Å; W43-W60 HydrophobicContact CH2-CD2 4.17Å; W43-W60 HydrophobicContact CH2-CE3 4.22Å; W43-W60 HydrophobicContact CH2-CH2 4.2Å; W43-W60 HydrophobicContact CH2-CZ2 4.09Å; W43-W60 HydrophobicContact CH2-CZ3 4.25Å; W43-W60 HydrophobicContact CZ3-CD2 4.42Å; W43-W60 AromaticContact CZ3-CE2 3.88Å; W43-W60 HydrophobicContact CZ3-CE3 4.47Å; W43-W60 AromaticContact CZ3-CH2 3.66Å; W43-W60 HydrophobicContact CZ3-CH2 3.66Å; W43-W60 AromaticContact CZ3-CZ2 3.5Å; W43-W60 HydrophobicContact CZ3-CZ2 3.5Å; W43-W60 HydrophobicContact CZ3-CZ3 4.14Å; W43-T68 HydrophobicContact CH2-CG2 3.52Å; W43-T68 HydrophobicContact CZ2-CG2 3.09Å; W43-I72 HydrophobicContact CD2-CD1 4.07Å; W43-I72 HydrophobicContact CD2-CG1 4.2Å; W43-I72 HydrophobicContact CE3-CG1 4.4Å; W43-I72 HydrophobicContact CG-CD1 4.33Å; W43-I72 HydrophobicContact CZ2-CD1 4.11Å | ||
| 44 | S | 63 | Low | 67.8 | Low | 40 Ų | 40 | 61.3 Ų | 61.3 | 28% | 0.28 | 32% | 0.317 | S | S | . | . | trans | -124.4 | 159 | 172.2 | 78.7 | 0 | 0 | 0 | 0 | 111.2 | S42 S46 S47 W48 | S42-S44 PolarHBondContact O-N 2.82Å; S44-S46 PolarHBondContact O-N 3.5Å; S44-S46 PolarHBondContact OG-OG 2.87Å; S44-S47 PolarHBondContact O-N 2.87Å; S44-S47 WeakPolarHBondContact OG-CB 3.36Å; S44-S47 PolarHBondContact OG-N 2.83Å; S44-S47 PolarHBondContact OG-OG 3.35Å; S44-W48 WeakPolarHBondContact O-CB 3.15Å; S44-W48 PolarHBondContact O-N 3.49Å | ||
| 45 | R | 59.8 | Low | 66.7 | Low | 227 Ų | 227 | 60.3 Ų | 60.3 | 86% | 0.857 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -60.3 | -33 | 176.2 | -164.8 | 172.4 | -175.7 | 174.1 | 0.6 | 111.7 | T49 | R45-T49 WeakPolarHBondContact O-CB 2.99Å; R45-T49 PolarHBondContact O-N 3.17Å; R45-T49 PolarHBondContact O-OG1 3.28Å |
| 46 | S | 64 | Low | 65.5 | Low | 86 Ų | 86 | 59.1 Ų | 59.1 | 60% | 0.601 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -71.6 | -46 | 174.9 | 51.8 | 0 | 0 | 0 | 0 | 112.1 | S44 W48 T49 Q50 | S44-S46 PolarHBondContact O-N 3.5Å; S44-S46 PolarHBondContact OG-OG 2.87Å; S46-W48 VanDerWaalsContact C-N 3.31Å; S46-W48 PolarHBondContact O-N 3.24Å; S46-T49 PolarHBondContact O-N 3.36Å; S46-T49 VanDerWaalsContact O-N 3.16Å; S46-Q50 PolarHBondContact O-N 2.85Å |
| 47 | S | 64.3 | Low | 64.1 | Low | 39 Ų | 39 | 59.2 Ų | 59.2 | 27% | 0.273 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 174.5 | -54.5 | 0 | 0 | 0 | 0 | 111.8 | S44 Q50 L51 | S44-S47 PolarHBondContact O-N 2.87Å; S44-S47 WeakPolarHBondContact OG-CB 3.36Å; S44-S47 PolarHBondContact OG-N 2.83Å; S44-S47 PolarHBondContact OG-OG 3.35Å; S47-Q50 PolarHBondContact O-N 2.88Å; S47-L51 WeakPolarHBondContact O-CB 3.31Å; S47-L51 VanDerWaalsContact O-CG 3.31Å; S47-L51 WeakPolarHBondContact O-CG 3.3Å; S47-L51 PolarHBondContact O-N 3.13Å; S47-L51 VanDerWaalsContact O-N 3.07Å |
| 48 | W | 63 | Low | 62.8 | Low | 51 Ų | 51 | 60.6 Ų | 60.6 | 19% | 0.193 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.1 | -45.3 | 174.5 | 179.9 | -100 | 0 | 0 | 0 | 111.9 | W43 S44 S46 Q50 L51 K52 W60 T68 | W43-W48 AromaticContact CH2-CE3 3.42Å; W43-W48 HydrophobicContact CH2-CE3 3.42Å; W43-W48 VanDerWaalsContact CH2-CE3 3.42Å; W43-W48 HydrophobicContact CH2-CH2 4.38Å; W43-W48 AromaticContact CH2-CZ3 3.26Å; W43-W48 HydrophobicContact CH2-CZ3 3.26Å; W43-W48 HydrophobicContact CZ2-CD2 4.03Å; W43-W48 AromaticContact CZ2-CE3 3.13Å; W43-W48 HydrophobicContact CZ2-CE3 3.13Å; W43-W48 HydrophobicContact CZ2-CH2 4.29Å; W43-W48 AromaticContact CZ2-CZ3 3.32Å; W43-W48 HydrophobicContact CZ2-CZ3 3.32Å; W43-W48 HydrophobicContact CZ3-CE3 4.46Å; W43-W48 HydrophobicContact CZ3-CZ3 4.46Å; S44-W48 WeakPolarHBondContact O-CB 3.15Å; S44-W48 PolarHBondContact O-N 3.49Å; S46-W48 VanDerWaalsContact C-N 3.31Å; S46-W48 PolarHBondContact O-N 3.24Å; W48-Q50 VanDerWaalsContact C-N 3.3Å; W48-Q50 PolarHBondContact O-N 2.9Å; W48-L51 CarbonylContact O-C 3.41Å; W48-L51 PolarHBondContact O-N 2.72Å; W48-L51 VanDerWaalsContact O-N 3.16Å; W48-K52 WeakPolarHBondContact O-CB 3.44Å; W48-K52 PolarHBondContact O-N 3.31Å; W48-W60 HydrophobicContact CE3-CB 4.1Å; W48-W60 AromaticContact CE3-CD1 3.59Å; W48-W60 HydrophobicContact CE3-CD2 4.23Å; W48-W60 AromaticContact CE3-CG 3.72Å; W48-W60 HydrophobicContact CE3-CG 3.72Å; W48-W60 HydrophobicContact CH2-CB 3.62Å; W48-W60 HydrophobicContact CH2-CG 4.01Å; W48-W60 HydrophobicContact CZ2-CB 4.41Å; W48-W60 HydrophobicContact CZ3-CB 3.4Å; W48-W60 VanDerWaalsContact CZ3-CB 3.4Å; W48-W60 AromaticContact CZ3-CD1 3.64Å; W48-W60 AromaticContact CZ3-CD2 3.62Å; W48-W60 HydrophobicContact CZ3-CD2 3.62Å; W48-W60 HydrophobicContact CZ3-CE3 4.08Å; W48-W60 AromaticContact CZ3-CG 3.24Å; W48-W60 HydrophobicContact CZ3-CG 3.24Å; W48-T68 HydrophobicContact CH2-CG2 3.96Å; W48-T68 HydrophobicContact CZ3-CG2 3.96Å |
| 49 | T | 63.6 | Low | 62.1 | Low | 71 Ų | 71 | 60.6 Ų | 60.6 | 44% | 0.436 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.2 | -37 | 179.3 | -58 | 0 | 0 | 0 | 0 | 111.9 | R45 S46 L51 K52 | R45-T49 WeakPolarHBondContact O-CB 2.99Å; R45-T49 PolarHBondContact O-N 3.17Å; R45-T49 PolarHBondContact O-OG1 3.28Å; S46-T49 PolarHBondContact O-N 3.36Å; S46-T49 VanDerWaalsContact O-N 3.16Å; T49-L51 VanDerWaalsContact C-N 3.34Å; T49-K52 WeakPolarHBondContact O-CG 3.07Å |
| 50 | Q | 66.3 | Low | 61.6 | Low | 143 Ų | 143 | 59.9 Ų | 59.9 | 67% | 0.668 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -69.3 | -34.2 | 175.8 | -167.3 | 178 | 24.7 | 0 | 0 | 112.4 | S46 S47 W48 | S46-Q50 PolarHBondContact O-N 2.85Å; S47-Q50 PolarHBondContact O-N 2.88Å; W48-Q50 VanDerWaalsContact C-N 3.3Å; W48-Q50 PolarHBondContact O-N 2.9Å |
| 51 | L | 65 | Low | 61.2 | Low | 26 Ų | 26 | 62.8 Ų | 62.8 | 14% | 0.136 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | 10.4 | -175.7 | -64.5 | 174.6 | 0 | 0 | 0 | 113.4 | S47 W48 T49 S59 W60 | S47-L51 WeakPolarHBondContact O-CB 3.31Å; S47-L51 VanDerWaalsContact O-CG 3.31Å; S47-L51 WeakPolarHBondContact O-CG 3.3Å; S47-L51 PolarHBondContact O-N 3.13Å; S47-L51 VanDerWaalsContact O-N 3.07Å; W48-L51 CarbonylContact O-C 3.41Å; W48-L51 PolarHBondContact O-N 2.72Å; W48-L51 VanDerWaalsContact O-N 3.16Å; T49-L51 VanDerWaalsContact C-N 3.34Å; L51-S59 CarbonylContact O-C 3.48Å; L51-S59 WeakPolarHBondContact O-CA 3.4Å; L51-S59 WeakPolarHBondContact O-CB 3.4Å; L51-S59 PolarHBondContact O-OG 2.78Å; L51-W60 VanDerWaalsContact CB-CD1 3.47Å; L51-W60 PolarHBondContact O-N 2.01Å |
| 52 | K | 61.8 | Low | 60.6 | Low | 78 Ų | 78 | 62.6 Ų | 62.6 | 34% | 0.339 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -92.1 | -15.2 | 179.8 | 74.6 | -177.4 | 175.3 | 60.5 | 0 | 114.4 | W48 T49 K61 | W48-K52 WeakPolarHBondContact O-CB 3.44Å; W48-K52 PolarHBondContact O-N 3.31Å; T49-K52 WeakPolarHBondContact O-CG 3.07Å; K52-K61 VanDerWaalsContact O-CA 3.25Å; K52-K61 WeakPolarHBondContact O-CA 3.49Å; K52-K61 WeakPolarHBondContact O-CB 3.41Å; K52-K61 WeakPolarHBondContact O-CG 3.48Å |
| 53 | D | 61 | Low | 60.1 | Low | 92 Ų | 92 | 63.9 Ų | 63.9 | 49% | 0.492 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -106 | -5.7 | -167 | -66.5 | -40.2 | 0 | 0 | 0 | 115.3 | K61 | D53-K61 WeakPolarHBondContact O-CD 3.25Å; D53-K61 WeakPolarHBondContact O-CE 3.46Å; D53-K61 PolarHBondContact O-NZ 3.39Å |
| 54 | R | 62.7 | Low | 59.7 | Low | 144 Ų | 144 | 62.7 Ų | 62.7 | 54% | 0.543 | 32% | 0.32 | S | S | . | . | S | Bend | trans | -100.1 | 158 | 178 | -58.8 | -177.4 | 175.5 | -169.5 | -3.2 | 111.7 | S59 K61 | R54-S59 PolarHBondContact N-OG 3.23Å; R54-S59 WeakPolarHBondContact O-CB 3.44Å; R54-S59 PolarHBondContact O-OG 2.91Å; R54-K61 WeakPolarHBondContact O-CB 3.39Å; R54-K61 WeakPolarHBondContact O-CD 3.15Å |
| 55 | A | 59.3 | Low | 59 | Low | 16 Ų | 16 | 66.2 Ų | 66.2 | 13% | 0.132 | 34% | 0.34 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 150 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y58 | A55-Y58 WeakPolarHBondContact O-CB 3.29Å; A55-Y58 WeakPolarHBondContact O-CD2 3.24Å; A55-Y58 PolarHBondContact O-N 2.89Å |
| 56 | P | 58.3 | Low | 58.3 | Low | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.058 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | 151.6 | 157.6 | -30 | 31.4 | 0 | 0 | 0 | 112.4 | Y58 S59 T181 | P56-Y58 VanDerWaalsContact CA-N 3.27Å; P56-S59 WeakPolarHBondContact CG-O 3.12Å; P56-T181 VanDerWaalsContact CD-OG1 3.28Å; P56-T181 WeakPolarHBondContact CD-OG1 3.35Å; P56-T181 HydrophobicContact CG-CG2 3.46Å; P56-T181 VanDerWaalsContact CG-CG2 3.46Å |
| 57 | P | 55.3 | Low | 57.5 | Low | 4 Ų | 4 | 57.5 Ų | 57.5 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -71.9 | -0.3 | 1.3 | 20.1 | -27.5 | 0 | 0 | 0 | 116.8 | S59 P178 S179 I227 M250 | P57-S59 VanDerWaalsContact C-N 3.28Å; P57-S59 PolarHBondContact O-N 3.26Å; P57-P178 WeakPolarHBondContact CA-O 3.24Å; P57-P178 WeakPolarHBondContact CB-O 3.47Å; P57-S179 WeakPolarHBondContact CD-O 3.33Å; P57-I227 HydrophobicContact CB-CD1 4.36Å; P57-I227 HydrophobicContact CB-CG2 4.11Å; P57-I227 HydrophobicContact CG-CG2 4.15Å; P57-M250 HydrophobicContact CG-CB 4.46Å; P57-M250 HydrophobicContact CG-CG 4.19Å |
| 58 | Y | 56.2 | Low | 56.8 | Low | 29 Ų | 29 | 56.5 Ų | 56.5 | 11% | 0.114 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -83 | -1 | -165.1 | -40.8 | -57.5 | 0 | 0 | 0 | 114.5 | A55 P56 M231 Y249 | A55-Y58 WeakPolarHBondContact O-CB 3.29Å; A55-Y58 WeakPolarHBondContact O-CD2 3.24Å; A55-Y58 PolarHBondContact O-N 2.89Å; P56-Y58 VanDerWaalsContact CA-N 3.27Å; Y58-M231 HydrophobicContact CD1-SD 4.42Å; Y58-M231 HydrophobicContact CE1-CE 3.49Å; Y58-M231 VanDerWaalsContact CE1-CE 3.49Å; Y58-M231 HydrophobicContact CE1-SD 3.29Å; Y58-M231 WeakPolarHBondContact CE1-SD 3.46Å; Y58-M231 WeakPolarHBondContact OH-CE 3.15Å; Y58-M231 PolarHBondContact OH-SD 2.62Å; Y58-Y249 PolarHBondContact OH-O 2.84Å |
| 59 | S | 60.8 | Low | 56.1 | Low | 8 Ų | 8 | 57.8 Ų | 57.8 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | trans | -177.7 | 166.8 | -159.5 | 155.4 | 0 | 0 | 0 | 0 | 112.7 | L51 R54 P56 P57 K61 | L51-S59 CarbonylContact O-C 3.48Å; L51-S59 WeakPolarHBondContact O-CA 3.4Å; L51-S59 WeakPolarHBondContact O-CB 3.4Å; L51-S59 PolarHBondContact O-OG 2.78Å; R54-S59 PolarHBondContact N-OG 3.23Å; R54-S59 WeakPolarHBondContact O-CB 3.44Å; R54-S59 PolarHBondContact O-OG 2.91Å; P56-S59 WeakPolarHBondContact CG-O 3.12Å; P57-S59 VanDerWaalsContact C-N 3.28Å; P57-S59 PolarHBondContact O-N 3.26Å; S59-K61 PolarHBondContact OG-N 3.11Å | ||
| 60 | W | 58.3 | Low | 55.3 | Low | 17 Ų | 17 | 59.2 Ų | 59.2 | 6% | 0.064 | 32% | 0.324 | C | S | . | . | trans | -91.8 | 11 | 175 | -46.4 | 96.1 | 0 | 0 | 0 | 114 | W43 W48 L51 G62 L63 V71 M221 P224 | W43-W60 HydrophobicContact CE3-CZ2 4.45Å; W43-W60 HydrophobicContact CH2-CD2 4.17Å; W43-W60 HydrophobicContact CH2-CE3 4.22Å; W43-W60 HydrophobicContact CH2-CH2 4.2Å; W43-W60 HydrophobicContact CH2-CZ2 4.09Å; W43-W60 HydrophobicContact CH2-CZ3 4.25Å; W43-W60 HydrophobicContact CZ3-CD2 4.42Å; W43-W60 AromaticContact CZ3-CE2 3.88Å; W43-W60 HydrophobicContact CZ3-CE3 4.47Å; W43-W60 AromaticContact CZ3-CH2 3.66Å; W43-W60 HydrophobicContact CZ3-CH2 3.66Å; W43-W60 AromaticContact CZ3-CZ2 3.5Å; W43-W60 HydrophobicContact CZ3-CZ2 3.5Å; W43-W60 HydrophobicContact CZ3-CZ3 4.14Å; W48-W60 HydrophobicContact CE3-CB 4.1Å; W48-W60 AromaticContact CE3-CD1 3.59Å; W48-W60 HydrophobicContact CE3-CD2 4.23Å; W48-W60 AromaticContact CE3-CG 3.72Å; W48-W60 HydrophobicContact CE3-CG 3.72Å; W48-W60 HydrophobicContact CH2-CB 3.62Å; W48-W60 HydrophobicContact CH2-CG 4.01Å; W48-W60 HydrophobicContact CZ2-CB 4.41Å; W48-W60 HydrophobicContact CZ3-CB 3.4Å; W48-W60 VanDerWaalsContact CZ3-CB 3.4Å; W48-W60 AromaticContact CZ3-CD1 3.64Å; W48-W60 AromaticContact CZ3-CD2 3.62Å; W48-W60 HydrophobicContact CZ3-CD2 3.62Å; W48-W60 HydrophobicContact CZ3-CE3 4.08Å; W48-W60 AromaticContact CZ3-CG 3.24Å; W48-W60 HydrophobicContact CZ3-CG 3.24Å; L51-W60 VanDerWaalsContact CB-CD1 3.47Å; L51-W60 PolarHBondContact O-N 2.01Å; W60-G62 PolarHBondContact O-N 2.92Å; W60-L63 HydrophobicContact CB-CD1 3.91Å; W60-L63 HydrophobicContact CD2-CD1 4.24Å; W60-L63 HydrophobicContact CE3-CD1 3.43Å; W60-L63 VanDerWaalsContact CE3-CD1 3.43Å; W60-L63 HydrophobicContact CG-CD1 4.47Å; W60-L63 HydrophobicContact CZ3-CD1 4.3Å; W60-L63 WeakPolarHBondContact O-CB 3.24Å; W60-L63 PolarHBondContact O-N 2.79Å; W60-V71 HydrophobicContact CZ3-CG1 4.28Å; W60-M221 HydrophobicContact CH2-CE 3.4Å; W60-M221 HydrophobicContact CH2-SD 3.92Å; W60-M221 HydrophobicContact CZ2-CE 4.41Å; W60-M221 HydrophobicContact CZ3-CE 3.69Å; W60-M221 HydrophobicContact CZ3-SD 4.45Å; W60-P224 HydrophobicContact CZ2-CG 3.99Å | ||
| 61 | K | 55.2 | Low | 54.6 | Low | 100 Ų | 100 | 53.7 Ų | 53.7 | 44% | 0.435 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | 125 | -175 | -172.8 | 179.5 | -164.1 | 161.5 | 0 | 111.4 | K52 D53 R54 S59 T181 | K52-K61 VanDerWaalsContact O-CA 3.25Å; K52-K61 WeakPolarHBondContact O-CA 3.49Å; K52-K61 WeakPolarHBondContact O-CB 3.41Å; K52-K61 WeakPolarHBondContact O-CG 3.48Å; D53-K61 WeakPolarHBondContact O-CD 3.25Å; D53-K61 WeakPolarHBondContact O-CE 3.46Å; D53-K61 PolarHBondContact O-NZ 3.39Å; R54-K61 WeakPolarHBondContact O-CB 3.39Å; R54-K61 WeakPolarHBondContact O-CD 3.15Å; S59-K61 PolarHBondContact OG-N 3.11Å; K61-T181 WeakPolarHBondContact O-CG2 3.34Å |
| 62 | G | 51.5 | Low | 54 | Low | 50 Ų | 50 | 54.6 Ų | 54.6 | 52% | 0.515 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.2 | -0 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | W60 W184 | W60-G62 PolarHBondContact O-N 2.92Å; G62-W184 WeakPolarHBondContact O-CB 3.35Å |
| 63 | L | 53.1 | Low | 53.3 | Low | 42 Ų | 42 | 57.9 Ų | 57.9 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | trans | -74.8 | 130.3 | 169.4 | -75.1 | 167.8 | 0 | 0 | 0 | 110.5 | W60 V65 W184 | W60-L63 HydrophobicContact CB-CD1 3.91Å; W60-L63 HydrophobicContact CD2-CD1 4.24Å; W60-L63 HydrophobicContact CE3-CD1 3.43Å; W60-L63 VanDerWaalsContact CE3-CD1 3.43Å; W60-L63 HydrophobicContact CG-CD1 4.47Å; W60-L63 HydrophobicContact CZ3-CD1 4.3Å; W60-L63 WeakPolarHBondContact O-CB 3.24Å; W60-L63 PolarHBondContact O-N 2.79Å; L63-V65 PolarHBondContact O-N 3.45Å; L63-W184 HydrophobicContact CD2-CD2 4.48Å; L63-W184 VanDerWaalsContact CD2-CE2 3.47Å; L63-W184 HydrophobicContact CD2-CZ2 3.55Å | ||
| 64 | P | 51.8 | Low | 52.7 | Low | 44 Ų | 44 | 56.5 Ų | 56.5 | 29% | 0.286 | 31% | 0.311 | S | S | . | . | trans | -61.9 | 136 | 173.3 | -15.2 | 26.9 | 0 | 0 | 0 | 109.8 | S66 V67 T68 W184 | P64-S66 WeakPolarHBondContact CB-OG 3.44Å; P64-S66 PolarHBondContact O-N 3.23Å; P64-V67 HydrophobicContact CB-CG2 4.05Å; P64-V67 HydrophobicContact CG-CG2 3.85Å; P64-V67 PolarHBondContact O-N 3Å; P64-T68 PolarHBondContact O-OG1 3.26Å; P64-W184 HydrophobicContact CG-CE3 4.11Å; P64-W184 HydrophobicContact CG-CH2 4.28Å; P64-W184 HydrophobicContact CG-CZ3 3.8Å | ||
| 65 | V | 48.9 | Very low | 52.1 | Low | 115 Ų | 115 | 51 Ų | 51 | 70% | 0.697 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -22.5 | 175.2 | 180 | 0 | 0 | 0 | 0 | 111.8 | L63 T68 P69 | L63-V65 PolarHBondContact O-N 3.45Å; V65-T68 WeakPolarHBondContact O-CB 3.39Å; V65-T68 PolarHBondContact O-OG1 2.75Å; V65-P69 WeakPolarHBondContact O-CD 3.34Å |
| 66 | S | 44.8 | Very low | 51.6 | Low | 97 Ų | 97 | 54.6 Ų | 54.6 | 68% | 0.678 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -16.9 | 177.3 | 53.9 | 0 | 0 | 0 | 0 | 115.6 | P64 P69 | P64-S66 WeakPolarHBondContact CB-OG 3.44Å; P64-S66 PolarHBondContact O-N 3.23Å; S66-P69 WeakPolarHBondContact O-CD 3.44Å |
| 67 | V | 46.8 | Very low | 51 | Low | 33 Ų | 33 | 56.5 Ų | 56.5 | 20% | 0.2 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | -22.6 | 176.2 | -177.1 | 0 | 0 | 0 | 0 | 111.1 | P64 L70 V71 W184 | P64-V67 HydrophobicContact CB-CG2 4.05Å; P64-V67 HydrophobicContact CG-CG2 3.85Å; P64-V67 PolarHBondContact O-N 3Å; V67-L70 PolarHBondContact O-N 2.87Å; V67-L70 VanDerWaalsContact O-N 3.16Å; V67-V71 HydrophobicContact CG1-CG2 4.31Å; V67-V71 PolarHBondContact O-N 3.28Å; V67-V71 VanDerWaalsContact O-N 3.16Å; V67-W184 HydrophobicContact CG2-CH2 4.27Å |
| 68 | T | 49.5 | Very low | 50.4 | Low | 17 Ų | 17 | 65.9 Ų | 65.9 | 10% | 0.104 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -55 | -43.9 | 179.1 | -43.5 | 0 | 0 | 0 | 0 | 114.2 | W43 W48 P64 V65 L70 V71 I72 | W43-T68 HydrophobicContact CH2-CG2 3.52Å; W43-T68 HydrophobicContact CZ2-CG2 3.09Å; W48-T68 HydrophobicContact CH2-CG2 3.96Å; W48-T68 HydrophobicContact CZ3-CG2 3.96Å; P64-T68 PolarHBondContact O-OG1 3.26Å; V65-T68 WeakPolarHBondContact O-CB 3.39Å; V65-T68 PolarHBondContact O-OG1 2.75Å; T68-L70 VanDerWaalsContact C-N 3.29Å; T68-L70 PolarHBondContact O-N 3.18Å; T68-V71 PolarHBondContact O-N 3.3Å; T68-I72 HydrophobicContact CG2-CD1 3.95Å; T68-I72 WeakPolarHBondContact O-CB 3.17Å; T68-I72 WeakPolarHBondContact O-CD1 3.47Å; T68-I72 WeakPolarHBondContact O-CG1 3.49Å; T68-I72 PolarHBondContact O-N 3.36Å |
| 69 | P | 47.3 | Very low | 49.9 | Very low | 78 Ų | 78 | 67.5 Ų | 67.5 | 51% | 0.506 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -67.9 | -27.6 | 178.8 | -18.4 | 33.3 | 0 | 0 | 0 | 113 | V65 S66 F73 | V65-P69 WeakPolarHBondContact O-CD 3.34Å; S66-P69 WeakPolarHBondContact O-CD 3.44Å; P69-F73 VanDerWaalsContact O-CB 3.27Å; P69-F73 WeakPolarHBondContact O-CB 3.42Å; P69-F73 PolarHBondContact O-N 3.41Å |
| 70 | L | 47.8 | Very low | 48.9 | Very low | 101 Ų | 101 | 75.7 Ų | 75.7 | 53% | 0.529 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -79 | -37 | 179.6 | -157.4 | 82.3 | 0 | 0 | 0 | 111.8 | V67 T68 I72 F73 L74 | V67-L70 PolarHBondContact O-N 2.87Å; V67-L70 VanDerWaalsContact O-N 3.16Å; T68-L70 VanDerWaalsContact C-N 3.29Å; T68-L70 PolarHBondContact O-N 3.18Å; L70-I72 VanDerWaalsContact C-N 3.34Å; L70-F73 WeakPolarHBondContact O-CB 3.3Å; L70-F73 PolarHBondContact O-N 3.4Å; L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 2.78Å |
| 71 | V | 52.3 | Low | 48.3 | Very low | 28 Ų | 28 | 77 Ų | 77 | 17% | 0.17 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -65 | -41.1 | 168.9 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | W60 V67 T68 F73 L74 L75 M221 | W60-V71 HydrophobicContact CZ3-CG1 4.28Å; V67-V71 HydrophobicContact CG1-CG2 4.31Å; V67-V71 PolarHBondContact O-N 3.28Å; V67-V71 VanDerWaalsContact O-N 3.16Å; T68-V71 PolarHBondContact O-N 3.3Å; V71-F73 VanDerWaalsContact C-N 3.34Å; V71-L74 PolarHBondContact O-N 3.07Å; V71-L75 HydrophobicContact CG1-CD1 3.92Å; V71-L75 WeakPolarHBondContact O-CD1 3.33Å; V71-L75 WeakPolarHBondContact O-CG 3.47Å; V71-L75 PolarHBondContact O-N 3.18Å; V71-M221 HydrophobicContact CG1-SD 4.24Å |
| 72 | I | 50.6 | Low | 47.7 | Very low | 45 Ų | 45 | 78.2 Ų | 78.2 | 23% | 0.231 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 171.7 | -71.4 | 166.7 | 0 | 0 | 0 | 110.8 | W43 T68 L70 L74 L75 I76 | W43-I72 HydrophobicContact CD2-CD1 4.07Å; W43-I72 HydrophobicContact CD2-CG1 4.2Å; W43-I72 HydrophobicContact CE3-CG1 4.4Å; W43-I72 HydrophobicContact CG-CD1 4.33Å; W43-I72 HydrophobicContact CZ2-CD1 4.11Å; T68-I72 HydrophobicContact CG2-CD1 3.95Å; T68-I72 WeakPolarHBondContact O-CB 3.17Å; T68-I72 WeakPolarHBondContact O-CD1 3.47Å; T68-I72 WeakPolarHBondContact O-CG1 3.49Å; T68-I72 PolarHBondContact O-N 3.36Å; L70-I72 VanDerWaalsContact C-N 3.34Å; I72-L74 PolarHBondContact O-N 3.27Å; I72-L75 PolarHBondContact O-N 3.47Å; I72-L75 VanDerWaalsContact O-N 3.08Å; I72-I76 HydrophobicContact CG2-CD1 3.52Å; I72-I76 HydrophobicContact CG2-CG1 4.28Å; I72-I76 WeakPolarHBondContact O-CD1 3.46Å; I72-I76 VanDerWaalsContact O-CG1 3.25Å; I72-I76 WeakPolarHBondContact O-CG1 3.48Å; I72-I76 PolarHBondContact O-N 3.09Å; I72-I76 VanDerWaalsContact O-N 3.13Å |
| 73 | F | 47.8 | Very low | 47.6 | Very low | 146 Ų | 146 | 83.1 Ų | 83.1 | 64% | 0.64 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.7 | -35.8 | 177.5 | -169.5 | -96.9 | 0 | 0 | 0 | 113.1 | P69 L70 V71 L75 | P69-F73 VanDerWaalsContact O-CB 3.27Å; P69-F73 WeakPolarHBondContact O-CB 3.42Å; P69-F73 PolarHBondContact O-N 3.41Å; L70-F73 WeakPolarHBondContact O-CB 3.3Å; L70-F73 PolarHBondContact O-N 3.4Å; V71-F73 VanDerWaalsContact C-N 3.34Å; F73-L75 VanDerWaalsContact C-N 3.29Å; F73-L75 PolarHBondContact O-N 2.92Å |
| 74 | L | 48.1 | Very low | 47.4 | Very low | 63 Ų | 63 | 84.1 Ų | 84.1 | 33% | 0.33 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.6 | -20.6 | 173.2 | -70.8 | 168.2 | 0 | 0 | 0 | 113.4 | L70 V71 I72 | L70-L74 WeakPolarHBondContact O-CG 3.42Å; L70-L74 PolarHBondContact O-N 2.78Å; V71-L74 PolarHBondContact O-N 3.07Å; I72-L74 PolarHBondContact O-N 3.27Å |
| 75 | L | 50.5 | Low | 47.4 | Very low | 29 Ų | 29 | 83.2 Ų | 83.2 | 15% | 0.152 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -97.7 | -11.3 | -176.9 | -67.8 | 169.6 | 0 | 0 | 0 | 113.9 | Q38 V71 I72 F73 S77 M221 | Q38-L75 HydrophobicContact CB-CD1 4.42Å; Q38-L75 HydrophobicContact CB-CD2 4.43Å; Q38-L75 HydrophobicContact CG-CD1 3.83Å; V71-L75 HydrophobicContact CG1-CD1 3.92Å; V71-L75 WeakPolarHBondContact O-CD1 3.33Å; V71-L75 WeakPolarHBondContact O-CG 3.47Å; V71-L75 PolarHBondContact O-N 3.18Å; I72-L75 PolarHBondContact O-N 3.47Å; I72-L75 VanDerWaalsContact O-N 3.08Å; F73-L75 VanDerWaalsContact C-N 3.29Å; F73-L75 PolarHBondContact O-N 2.92Å; L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.37Å; L75-M221 HydrophobicContact CD1-SD 4.22Å; L75-M221 HydrophobicContact CD2-CB 3.78Å |
| 76 | I | 49 | Very low | 47.7 | Very low | 92 Ų | 92 | 80.5 Ų | 80.5 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | trans | -91.3 | 65.5 | 176.4 | -56.7 | 157.6 | 0 | 0 | 0 | 109 | A40 I72 | A40-I76 HydrophobicContact CB-CG1 3.96Å; I72-I76 HydrophobicContact CG2-CD1 3.52Å; I72-I76 HydrophobicContact CG2-CG1 4.28Å; I72-I76 WeakPolarHBondContact O-CD1 3.46Å; I72-I76 VanDerWaalsContact O-CG1 3.25Å; I72-I76 WeakPolarHBondContact O-CG1 3.48Å; I72-I76 PolarHBondContact O-N 3.09Å; I72-I76 VanDerWaalsContact O-N 3.13Å | ||
| 77 | S | 44.9 | Very low | 47.9 | Very low | 49 Ų | 49 | 77 Ų | 77 | 34% | 0.343 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -69.4 | 125.3 | 145.6 | 173.2 | 0 | 0 | 0 | 0 | 105.8 | L75 T79 | L75-S77 VanDerWaalsContact C-N 3.28Å; L75-S77 PolarHBondContact O-N 3.37Å; S77-T79 PolarHBondContact O-N 2.83Å |
| 78 | K | 43.8 | Very low | 48.3 | Very low | 200 Ų | 200 | 78.3 Ų | 78.3 | 87% | 0.87 | 44% | 0.436 | S | S | * | . | S | Bend | trans | -41.3 | 90.5 | -173.2 | -67.7 | -179 | 175.8 | 179.1 | 0 | 113.7 | ||
| 79 | T | 44.5 | Very low | 48.5 | Very low | 64 Ų | 64 | 82.5 Ų | 82.5 | 39% | 0.393 | 46% | 0.455 | S | S | . | . | trans | -127 | 88.1 | 158.4 | 59.1 | 0 | 0 | 0 | 0 | 106.8 | S77 A81 | S77-T79 PolarHBondContact O-N 2.83Å; T79-A81 PolarHBondContact O-N 3.23Å | ||
| 80 | N | 40.1 | Very low | 48.7 | Very low | 180 Ų | 180 | 80 Ų | 80 | 96% | 0.963 | 44% | 0.437 | S | S | * | . | trans | -66 | 52 | 154.9 | -73.5 | -15.3 | 0 | 0 | 0 | 108.9 | ||||
| 81 | A | 46.3 | Very low | 49.2 | Very low | 43 Ų | 43 | 76.1 Ų | 76.1 | 36% | 0.355 | 42% | 0.417 | S | S | . | . | trans | -98.5 | 113.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | T79 Q83 | T79-A81 PolarHBondContact O-N 3.23Å; A81-Q83 PolarHBondContact O-N 3.02Å; A81-Q83 VanDerWaalsContact O-N 3.08Å | ||
| 82 | S | 43.1 | Very low | 49.6 | Very low | 126 Ų | 126 | 75.8 Ų | 75.8 | 88% | 0.881 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -65.2 | 3 | 170.5 | 43.5 | 0 | 0 | 0 | 0 | 113.3 | ||
| 83 | Q | 48.2 | Very low | 49.7 | Very low | 154 Ų | 154 | 80 Ų | 80 | 72% | 0.72 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -138.9 | 150 | -178.6 | -63.8 | -178.7 | 8.3 | 0 | 0 | 110.7 | A81 P85 | A81-Q83 PolarHBondContact O-N 3.02Å; A81-Q83 VanDerWaalsContact O-N 3.08Å; Q83-P85 WeakPolarHBondContact O-CD 3.48Å |
| 84 | A | 48.6 | Very low | 49.7 | Very low | 62 Ų | 62 | 77.2 Ų | 77.2 | 51% | 0.512 | 43% | 0.433 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 118.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | W39 | W39-A84 HydrophobicContact CH2-CB 3.65Å; W39-A84 HydrophobicContact CZ2-CB 3.35Å |
| 85 | P | 52.3 | Low | 49.8 | Very low | 25 Ų | 25 | 77 Ų | 77 | 16% | 0.162 | 44% | 0.437 | C | S | . | . | P | Polyproline II helix | trans | -60.9 | 144.4 | 173.3 | 25.3 | -32.6 | 0 | 0 | 0 | 109.2 | Q83 Q89 M90 | Q83-P85 WeakPolarHBondContact O-CD 3.48Å; P85-Q89 HydrophobicContact CB-CB 4.34Å; P85-M90 HydrophobicContact CB-CG 3.85Å; P85-M90 HydrophobicContact CG-CG 3.48Å; P85-M90 VanDerWaalsContact CG-CG 3.48Å; P85-M90 HydrophobicContact CG-SD 3.66Å |
| 86 | S | 54.4 | Low | 49.9 | Very low | 59 Ų | 59 | 81.5 Ų | 81.5 | 41% | 0.413 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 147.8 | 175.4 | 76.3 | 0 | 0 | 0 | 0 | 109.6 | K88 Q89 M90 | S86-K88 PolarHBondContact O-N 3.37Å; S86-K88 VanDerWaalsContact O-N 3.12Å; S86-Q89 WeakPolarHBondContact O-CA 3.27Å; S86-Q89 VanDerWaalsContact O-CB 3.31Å; S86-Q89 WeakPolarHBondContact O-CB 3.42Å; S86-Q89 PolarHBondContact O-N 3.24Å; S86-Q89 PolarHBondContact OG-N 3.39Å; S86-M90 PolarHBondContact O-N 3.37Å; S86-M90 VanDerWaalsContact O-N 3.09Å |
| 87 | C | 50.5 | Low | 50.3 | Low | 24 Ų | 24 | 81.1 Ų | 81.1 | 16% | 0.162 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -60.4 | -26.3 | 178.6 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | V36 L91 T261 | V36-C87 HydrophobicContact CB-CB 4.47Å; V36-C87 VanDerWaalsContact CB-SG 3.59Å; V36-C87 HydrophobicContact CG2-CB 4.31Å; V36-C87 VanDerWaalsContact CG2-SG 3.54Å; V36-C87 PolarHBondContact N-SG 2.99Å; V36-C87 VanDerWaalsContact N-SG 3.37Å; C87-L91 PolarHBondContact O-N 2.86Å; C87-T261 HydrophobicContact CB-CG2 4Å |
| 88 | K | 53.9 | Low | 51.6 | Low | 59 Ų | 59 | 85.9 Ų | 85.9 | 26% | 0.257 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 169.8 | -146.2 | 175.2 | 179.2 | 163.4 | 0 | 109.7 | S86 M90 L92 R98 D263 | S86-K88 PolarHBondContact O-N 3.37Å; S86-K88 VanDerWaalsContact O-N 3.12Å; K88-M90 PolarHBondContact O-N 2.9Å; K88-L92 HydrophobicContact CB-CD1 4.39Å; K88-L92 HydrophobicContact CD-CD1 4.4Å; K88-L92 HydrophobicContact CG-CB 4.35Å; K88-L92 HydrophobicContact CG-CD1 3.4Å; K88-L92 VanDerWaalsContact CG-CD1 3.4Å; K88-L92 HydrophobicContact CG-CG 4.3Å; K88-L92 CarbonylContact O-C 3.56Å; K88-L92 VanDerWaalsContact O-CA 3.25Å; K88-L92 WeakPolarHBondContact O-CA 3.41Å; K88-L92 WeakPolarHBondContact O-CB 2.98Å; K88-L92 WeakPolarHBondContact O-CG 3.33Å; K88-L92 PolarHBondContact O-N 2.94Å; K88-L92 VanDerWaalsContact O-O 3.06Å; K88-R98 PolarHBondContact NZ-O 3.36Å; K88-D263 IonicContact NZ-OD2 3.18Å; K88-D263 PolarHBondContact NZ-OD2 2.78Å |
| 89 | Q | 54.3 | Low | 53.5 | Low | 106 Ų | 106 | 78.5 Ų | 78.5 | 50% | 0.495 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.8 | -32.2 | 177.5 | -108.9 | 161 | 2.4 | 0 | 0 | 115.7 | P85 S86 D94 | P85-Q89 HydrophobicContact CB-CB 4.34Å; S86-Q89 WeakPolarHBondContact O-CA 3.27Å; S86-Q89 VanDerWaalsContact O-CB 3.31Å; S86-Q89 WeakPolarHBondContact O-CB 3.42Å; S86-Q89 PolarHBondContact O-N 3.24Å; S86-Q89 PolarHBondContact OG-N 3.39Å; Q89-D94 VanDerWaalsContact CG-OD2 3.3Å; Q89-D94 WeakPolarHBondContact CG-OD2 3.31Å; Q89-D94 PolarHBondContact NE2-OD2 3.39Å |
| 90 | M | 52 | Low | 55.6 | Low | 26 Ų | 26 | 76.1 Ų | 76.1 | 13% | 0.128 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -79.5 | -25.9 | -177.6 | -71.7 | -175.6 | 74.1 | 0 | 0 | 114.2 | L37 W39 P85 S86 K88 R220 | L37-M90 HydrophobicContact CB-CE 3.43Å; L37-M90 VanDerWaalsContact CB-CE 3.43Å; L37-M90 HydrophobicContact CB-SD 3.87Å; L37-M90 HydrophobicContact CD1-CB 3.78Å; L37-M90 HydrophobicContact CD1-CE 3.95Å; L37-M90 HydrophobicContact CD1-SD 4.38Å; L37-M90 HydrophobicContact CG-CE 4.36Å; W39-M90 HydrophobicContact CB-CE 3.98Å; P85-M90 HydrophobicContact CB-CG 3.85Å; P85-M90 HydrophobicContact CG-CG 3.48Å; P85-M90 VanDerWaalsContact CG-CG 3.48Å; P85-M90 HydrophobicContact CG-SD 3.66Å; S86-M90 PolarHBondContact O-N 3.37Å; S86-M90 VanDerWaalsContact O-N 3.09Å; K88-M90 PolarHBondContact O-N 2.9Å; M90-R220 PolarHBondContact O-NE 2.88Å; M90-R220 VanDerWaalsContact O-NE 3.1Å; M90-R220 PolarHBondContact O-NH2 3.2Å |
| 91 | L | 57.5 | Low | 58.2 | Low | 19 Ų | 19 | 71.6 Ų | 71.6 | 10% | 0.099 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -109.5 | -28.5 | -178.5 | -71 | 167 | 0 | 0 | 0 | 112.5 | L37 C87 F147 I175 T261 | L37-L91 HydrophobicContact CD1-CD1 4.22Å; L37-L91 HydrophobicContact CD1-CD2 3.76Å; L37-L91 HydrophobicContact CD1-CG 3.69Å; C87-L91 PolarHBondContact O-N 2.86Å; L91-F147 HydrophobicContact CB-CE1 4.35Å; L91-F147 HydrophobicContact CB-CZ 4.04Å; L91-F147 HydrophobicContact CD2-CD1 3.86Å; L91-F147 HydrophobicContact CD2-CE1 3.32Å; L91-F147 HydrophobicContact CD2-CZ 3.83Å; L91-F147 HydrophobicContact CG-CE1 4.43Å; L91-F147 WeakPolarHBondContact O-CZ 3.41Å; L91-I175 HydrophobicContact CD2-CD1 4.14Å; L91-T261 HydrophobicContact CD1-CG2 3.51Å |
| 92 | L | 61.7 | Low | 60.6 | Low | 20 Ų | 20 | 69.6 Ų | 69.6 | 11% | 0.105 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -120.2 | 136 | -170.2 | -47.1 | 172.3 | 0 | 0 | 0 | 109.1 | K88 D94 V100 L125 | K88-L92 HydrophobicContact CB-CD1 4.39Å; K88-L92 HydrophobicContact CD-CD1 4.4Å; K88-L92 HydrophobicContact CG-CB 4.35Å; K88-L92 HydrophobicContact CG-CD1 3.4Å; K88-L92 VanDerWaalsContact CG-CD1 3.4Å; K88-L92 HydrophobicContact CG-CG 4.3Å; K88-L92 CarbonylContact O-C 3.56Å; K88-L92 VanDerWaalsContact O-CA 3.25Å; K88-L92 WeakPolarHBondContact O-CA 3.41Å; K88-L92 WeakPolarHBondContact O-CB 2.98Å; K88-L92 WeakPolarHBondContact O-CG 3.33Å; K88-L92 PolarHBondContact O-N 2.94Å; K88-L92 VanDerWaalsContact O-O 3.06Å; L92-D94 PolarHBondContact O-N 3.35Å; L92-V100 HydrophobicContact CD1-CB 4.27Å; L92-V100 HydrophobicContact CD1-CG1 4.13Å; L92-V100 HydrophobicContact CD1-CG2 3.87Å; L92-V100 HydrophobicContact CD2-CG1 4.05Å; L92-L125 HydrophobicContact CD2-CD1 3.05Å; L92-L125 HydrophobicContact CD2-CG 4.38Å |
| 93 | T | 53.2 | Low | 63.2 | Low | 133 Ų | 133 | 63.6 Ų | 63.6 | 82% | 0.816 | 37% | 0.367 | S | S | * | . | trans | -65 | 119.6 | 164.6 | 49.4 | 0 | 0 | 0 | 0 | 107.7 | S95 | T93-S95 PolarHBondContact O-N 3.35Š| ||
| 94 | D | 46.8 | Very low | 65.6 | Low | 88 Ų | 88 | 56.2 Ų | 56.2 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | trans | -53.6 | 112.4 | -176.5 | -118.2 | -17.9 | 0 | 0 | 0 | 110.3 | Q89 L92 | Q89-D94 VanDerWaalsContact CG-OD2 3.3Å; Q89-D94 WeakPolarHBondContact CG-OD2 3.31Å; Q89-D94 PolarHBondContact NE2-OD2 3.39Å; L92-D94 PolarHBondContact O-N 3.35Å | ||
| 95 | S | 49.7 | Very low | 68 | Low | 58 Ų | 58 | 53.3 Ų | 53.3 | 41% | 0.406 | 31% | 0.308 | S | S | . | . | trans | -127.9 | 90.4 | 165.7 | -66.8 | 0 | 0 | 0 | 0 | 106.3 | T93 G97 R98 | T93-S95 PolarHBondContact O-N 3.35Å; S95-G97 PolarHBondContact O-N 2.87Å; S95-R98 PolarHBondContact O-N 2.78Å | ||
| 96 | P | 52.3 | Low | 70.1 | Confident | 124 Ų | 124 | 52.4 Ų | 52.4 | 81% | 0.805 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | 128.2 | 177.9 | -23.4 | 32.2 | 0 | 0 | 0 | 109.9 | ||
| 97 | G | 59.1 | Low | 72 | Confident | 85 Ų | 85 | 50.4 Ų | 50.4 | 88% | 0.876 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 92.4 | -9.4 | 178 | 0 | 0 | 0 | 0 | 0 | 116.6 | S95 | S95-G97 PolarHBondContact O-N 2.87Š|
| 98 | R | 72.3 | Confident | 74.2 | Confident | 148 Ų | 148 | 50.2 Ų | 50.2 | 56% | 0.558 | 29% | 0.29 | S | S | * | . | trans | -86.2 | 125.5 | 174.9 | -172.1 | 174.3 | 168.6 | -178.8 | -0.4 | 111.6 | K88 S95 D124 | K88-R98 PolarHBondContact NZ-O 3.36Å; S95-R98 PolarHBondContact O-N 2.78Å; R98-D124 IonicContact CZ-OD1 2.79Å; R98-D124 IonicContact NE-OD1 3.74Å; R98-D124 IonicContact NH2-OD1 2.88Å; R98-D124 PolarHBondContact NH2-OD1 3.08Å | ||
| 99 | C | 83.1 | Confident | 76.3 | Confident | 45 Ų | 45 | 47.6 Ų | 47.6 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | trans | -70.7 | 121.9 | 168.7 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 100 | V | 88.4 | Confident | 78.3 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 9% | 0.085 | 26% | 0.258 | C | S | . | . | trans | -96.5 | 115.6 | -179.6 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | L92 D124 L125 D263 Q264 | L92-V100 HydrophobicContact CD1-CB 4.27Å; L92-V100 HydrophobicContact CD1-CG1 4.13Å; L92-V100 HydrophobicContact CD1-CG2 3.87Å; L92-V100 HydrophobicContact CD2-CG1 4.05Å; V100-D124 HydrophobicContact CG1-CB 4.44Å; V100-L125 HydrophobicContact CG1-CD1 3.52Å; V100-L125 HydrophobicContact CG1-CG 4.36Å; V100-D263 PolarHBondContact N-OD2 2.89Å; V100-D263 PolarHBondContact O-N 2.96Å; V100-Q264 PolarHBondContact O-N 3.19Å; V100-Q264 VanDerWaalsContact O-N 3.11Å | ||
| 101 | R | 93.9 | Very high | 80.5 | Confident | 86 Ų | 86 | 41.6 Ų | 41.6 | 33% | 0.325 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 123 | 178.2 | -59.2 | 168.4 | 61.4 | 102.8 | -8.1 | 110.1 | D124 L125 Q264 | R101-D124 WeakPolarHBondContact CB-OD2 3.19Å; R101-D124 PolarHBondContact N-OD2 2.82Å; R101-D124 WeakPolarHBondContact O-CB 3.5Å; R101-D124 PolarHBondContact O-N 3.15Å; R101-L125 PolarHBondContact O-N 3.03Å; R101-Q264 HydrophobicContact CG-CB 4.31Å |
| 102 | C | 96.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.6 | -177.4 | -62.6 | 0 | 0 | 0 | 0 | 111.6 | H123 L125 F127 C262 Q264 V265 S266 | C102-H123 PolarHBondContact O-CD2 3.12Å; C102-L125 CarbonylContact C-O 3.41Å; C102-L125 WeakPolarHBondContact CA-O 3.49Å; C102-F127 HydrophobicContact CB-CD2 4.22Å; C102-F127 HydrophobicContact CB-CE2 3.87Å; C102-C262 HydrophobicContact CB-CB 3.68Å; C102-C262 WeakPolarHBondContact CB-SG 3.45Å; C102-C262 WeakPolarHBondContact SG-CB 3.14Å; C102-C262 CovalentContact SG-SG 2.01Å; C102-C262 PolarHBondContact SG-SG 2.86Å; C102-Q264 PolarHBondContact N-O 2.99Å; C102-V265 CarbonylContact O-C 3.56Å; C102-V265 WeakPolarHBondContact O-CA 3.4Å; C102-S266 PolarHBondContact O-N 2.92Å |
| 103 | A | 98.5 | Very high | 84 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 134.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | I120 H123 L125 V126 F127 S266 Y268 | A103-I120 HydrophobicContact CB-CG2 4.18Å; A103-H123 HydrophobicContact CB-CB 3.95Å; A103-H123 PolarHBondContact N-CD2 3.37Å; A103-L125 PolarHBondContact N-O 3.21Å; A103-V126 HydrophobicContact CB-CG2 4.33Å; A103-V126 CarbonylContact O-C 3.56Å; A103-V126 WeakPolarHBondContact O-CA 3.49Å; A103-F127 PolarHBondContact O-N 2.77Å; A103-S266 CarbonylContact C-O 3.58Å; A103-S266 WeakPolarHBondContact CA-O 2.99Å; A103-Y268 HydrophobicContact CB-CD2 4.12Å; A103-Y268 HydrophobicContact CB-CE2 3.94Å |
| 104 | V | 98.6 | Very high | 86.1 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 121 | 169.2 | -170.6 | 0 | 0 | 0 | 0 | 107.6 | F127 M129 L255 A258 V265 S266 Y268 F270 | V104-F127 HydrophobicContact CB-CB 4.41Å; V104-F127 HydrophobicContact CG1-CB 4.13Å; V104-F127 HydrophobicContact CG2-CB 4.18Å; V104-F127 HydrophobicContact CG2-CD2 4.38Å; V104-F127 HydrophobicContact CG2-CG 4.44Å; V104-M129 HydrophobicContact CG1-CE 3.57Å; V104-L255 HydrophobicContact CB-CD1 3.89Å; V104-L255 HydrophobicContact CG1-CB 4.27Å; V104-L255 HydrophobicContact CG1-CD1 4.28Å; V104-L255 HydrophobicContact CG2-CD1 3.81Å; V104-A258 HydrophobicContact CG2-CB 3.39Å; V104-V265 HydrophobicContact CG2-CG1 3.93Å; V104-S266 PolarHBondContact N-O 3.02Å; V104-Y268 PolarHBondContact O-N 3.28Å; V104-F270 HydrophobicContact CB-CE2 4.14Å; V104-F270 HydrophobicContact CB-CZ 4.41Å; V104-F270 HydrophobicContact CG1-CE2 3.79Å; V104-F270 HydrophobicContact CG1-CZ 3.65Å; V104-F270 WeakPolarHBondContact O-CE2 3.21Å |
| 105 | V | 98.5 | Very high | 88.5 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 106.1 | -175.4 | -169.2 | 0 | 0 | 0 | 0 | 108.6 | L111 I120 V126 F127 R128 Y268 | V105-L111 HydrophobicContact CG1-CD1 3.82Å; V105-I120 HydrophobicContact CG2-CD1 4.15Å; V105-I120 HydrophobicContact CG2-CG1 4.34Å; V105-I120 HydrophobicContact CG2-CG2 3.69Å; V105-V126 HydrophobicContact CG2-CG1 3.92Å; V105-F127 PolarHBondContact N-O 3.24Å; V105-R128 HydrophobicContact CB-CG 4.32Å; V105-Y268 CarbonylContact C-O 3.6Å; V105-Y268 WeakPolarHBondContact CA-O 2.98Å |
| 106 | G | 96.6 | Very high | 90.9 | Very high | 6 Ų | 6 | 38.8 Ų | 38.8 | 6% | 0.062 | 24% | 0.244 | C | C | . | . | trans | -78.6 | 177.3 | 164 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y268 G269 | G106-Y268 PolarHBondContact N-O 2.81Å; G106-G269 CarbonylContact C-O 3.58Å | ||
| 107 | N | 95.3 | Very high | 93.1 | Very high | 17 Ų | 17 | 33 Ų | 33 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | trans | -101.5 | 6.8 | -171.1 | -59.3 | -28.5 | 0 | 0 | 0 | 114.5 | M129 G131 H281 Y282 Y283 | N107-M129 PolarHBondContact ND2-O 3.13Å; N107-G131 PolarHBondContact ND2-N 3.36Å; N107-H281 WeakPolarHBondContact O-CA 3.39Å; N107-Y282 HydrophobicContact CB-CE1 4.24Å; N107-Y282 VanDerWaalsContact O-CD1 3.25Å; N107-Y282 WeakPolarHBondContact O-CD1 2.92Å; N107-Y282 PolarHBondContact O-N 3.24Å; N107-Y282 VanDerWaalsContact O-N 3.13Å; N107-Y283 HydrophobicContact CB-CE1 4.18Å | ||
| 108 | G | 96.3 | Very high | 94.9 | Very high | 19 Ų | 19 | 39.9 Ų | 39.9 | 20% | 0.196 | 21% | 0.207 | C | C | . | . | B | Isolated β-bridge | trans | -63.1 | 145 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I110 L111 G269 D280 | G108-I110 PolarHBondContact O-N 3.27Å; G108-L111 PolarHBondContact O-N 2.86Å; G108-G269 WeakPolarHBondContact CA-O 3.36Å; G108-G269 PolarHBondContact N-O 2.86Å; G108-D280 WeakPolarHBondContact CA-O 3.17Å |
| 109 | G | 96.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 37 Ų | 37 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -58.9 | -16.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | L111 R112 S279 D280 | G109-L111 PolarHBondContact O-N 3.37Å; G109-R112 PolarHBondContact O-N 2.71Å; G109-S279 WeakPolarHBondContact CA-O 3.3Å; G109-S279 PolarHBondContact N-O 2.65Å; G109-D280 PolarHBondContact N-O 2.83Å; G109-D280 VanDerWaalsContact N-O 3.09Å |
| 110 | I | 97.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 34.9 Ų | 34.9 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -55.2 | -22.5 | 173.2 | -168.1 | 166.9 | 0 | 0 | 0 | 112.8 | G108 T272 F278 F317 R319 | G108-I110 PolarHBondContact O-N 3.27Å; I110-T272 HydrophobicContact CD1-CG2 3.95Å; I110-F278 HydrophobicContact CB-CD1 4.44Å; I110-F278 HydrophobicContact CB-CD2 3.89Å; I110-F278 HydrophobicContact CB-CE2 4.02Å; I110-F278 HydrophobicContact CB-CG 4.11Å; I110-F278 HydrophobicContact CB-CZ 4.38Å; I110-F278 HydrophobicContact CD1-CD2 4.48Å; I110-F278 HydrophobicContact CD1-CE2 3.86Å; I110-F278 HydrophobicContact CD1-CZ 4.22Å; I110-F278 HydrophobicContact CG1-CD2 4.09Å; I110-F278 HydrophobicContact CG1-CE1 4.22Å; I110-F278 HydrophobicContact CG1-CE2 3.68Å; I110-F278 HydrophobicContact CG1-CZ 3.76Å; I110-F317 HydrophobicContact CG1-CD1 4.4Å; I110-F317 HydrophobicContact CG1-CE1 4.09Å; I110-R319 HydrophobicContact CD1-CG 4.19Å; I110-R319 HydrophobicContact CG1-CG 3.81Å; I110-R319 PolarHBondContact O-NE 2.81Å; I110-R319 PolarHBondContact O-NH2 3.06Å |
| 111 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -79.4 | -17.3 | 177.9 | -65 | 177.8 | 0 | 0 | 0 | 114.8 | V105 G108 G109 G113 A114 D140 V141 Y268 Y282 F317 | V105-L111 HydrophobicContact CG1-CD1 3.82Å; G108-L111 PolarHBondContact O-N 2.86Å; G109-L111 PolarHBondContact O-N 3.37Å; L111-G113 PolarHBondContact O-N 2.82Å; L111-A114 WeakPolarHBondContact O-CB 3.25Å; L111-A114 PolarHBondContact O-N 3.35Å; L111-A114 VanDerWaalsContact O-N 3.09Å; L111-D140 VanDerWaalsContact O-CB 3.25Å; L111-D140 WeakPolarHBondContact O-CB 3.1Å; L111-V141 HydrophobicContact CB-CG1 4.11Å; L111-V141 HydrophobicContact CD1-CG1 3.97Å; L111-Y268 HydrophobicContact CD2-CD1 4.49Å; L111-Y282 HydrophobicContact CB-CD1 4.1Å; L111-Y282 HydrophobicContact CB-CG 4.23Å; L111-Y282 HydrophobicContact CD1-CD1 4.05Å; L111-Y282 HydrophobicContact CD1-CE1 4.31Å; L111-F317 HydrophobicContact CD2-CD1 4.02Å; L111-F317 HydrophobicContact CD2-CE1 4.16Å |
| 112 | R | 96.6 | Very high | 97.6 | Very high | 110 Ų | 110 | 35.2 Ų | 35.2 | 42% | 0.415 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | 120.7 | -176 | -171.7 | 178.4 | -172.6 | 158.6 | 2.8 | 112.4 | G109 A114 Y282 D284 R319 | G109-R112 PolarHBondContact O-N 2.71Å; R112-A114 PolarHBondContact O-N 3.37Å; R112-Y282 WeakPolarHBondContact CD-O 3.5Å; R112-D284 PolarHBondContact NH1-O 2.84Å; R112-R319 PolarHBondContact O-NH2 3.46Å |
| 113 | G | 96.5 | Very high | 97.6 | Very high | 55 Ų | 55 | 35.7 Ų | 35.7 | 57% | 0.567 | 21% | 0.212 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 29.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113 | L111 D140 R319 | L111-G113 PolarHBondContact O-N 2.82Å; G113-D140 VanDerWaalsContact C-OD1 3.24Å; G113-D140 WeakPolarHBondContact CA-OD1 3.5Å; G113-D140 PolarHBondContact N-OD1 3.38Å; G113-D140 PolarHBondContact N-OD2 3.05Å; G113-R319 PolarHBondContact O-NH1 2.96Å |
| 114 | A | 96.9 | Very high | 97.4 | Very high | 17 Ų | 17 | 37.6 Ų | 37.6 | 14% | 0.14 | 22% | 0.222 | C | C | . | . | trans | -91.1 | -16.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | L111 R112 Q116 D140 F317 | L111-A114 WeakPolarHBondContact O-CB 3.25Å; L111-A114 PolarHBondContact O-N 3.35Å; L111-A114 VanDerWaalsContact O-N 3.09Å; R112-A114 PolarHBondContact O-N 3.37Å; A114-Q116 HydrophobicContact CB-CG 3.95Å; A114-Q116 PolarHBondContact O-N 3.01Å; A114-Q116 PolarHBondContact O-NE2 3.03Å; A114-Q116 VanDerWaalsContact O-NE2 3.09Å; A114-D140 PolarHBondContact N-OD1 3.33Å; A114-F317 HydrophobicContact CB-CE1 4.01Å; A114-F317 HydrophobicContact CB-CZ 3.84Å | ||
| 115 | G | 97.4 | Very high | 97.3 | Very high | 46 Ų | 46 | 39 Ų | 39 | 47% | 0.474 | 23% | 0.23 | S | C | . | . | trans | 60.1 | 26.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | G117 E139 D140 | G115-G117 VanDerWaalsContact C-N 3.33Å; G115-E139 CarbonylContact C-O 3.6Å; G115-E139 VanDerWaalsContact CA-O 3.27Å; G115-E139 WeakPolarHBondContact CA-O 3.31Å; G115-D140 PolarHBondContact N-OD1 3.02Å | ||
| 116 | Q | 98.4 | Very high | 97.2 | Very high | 31 Ų | 31 | 39 Ų | 39 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | trans | -85.5 | -1.5 | -174.3 | -66.4 | -55.6 | -55 | 0 | 0 | 113.6 | A114 R118 N119 I120 E139 D140 Y268 F317 | A114-Q116 HydrophobicContact CB-CG 3.95Å; A114-Q116 PolarHBondContact O-N 3.01Å; A114-Q116 PolarHBondContact O-NE2 3.03Å; A114-Q116 VanDerWaalsContact O-NE2 3.09Å; Q116-R118 PolarHBondContact O-N 3.03Å; Q116-N119 WeakPolarHBondContact O-CB 3.47Å; Q116-N119 PolarHBondContact O-N 3.22Å; Q116-N119 PolarHBondContact OE1-ND2 3.3Å; Q116-I120 HydrophobicContact CB-CD1 4.05Å; Q116-I120 HydrophobicContact CB-CG1 4.42Å; Q116-I120 WeakPolarHBondContact O-CG1 3.27Å; Q116-I120 PolarHBondContact O-N 2.84Å; Q116-E139 PolarHBondContact N-O 2.89Å; Q116-D140 CarbonylContact C-O 3.54Å; Q116-D140 WeakPolarHBondContact CB-O 3.46Å; Q116-D140 PolarHBondContact N-O 2.77Å; Q116-Y268 HydrophobicContact CB-CD1 4.12Å; Q116-Y268 HydrophobicContact CB-CE1 4.15Å; Q116-Y268 HydrophobicContact CG-CD1 4.27Å; Q116-Y268 HydrophobicContact CG-CE1 4.26Å; Q116-F317 HydrophobicContact CG-CD2 3.95Å; Q116-F317 HydrophobicContact CG-CE1 4.16Å; Q116-F317 HydrophobicContact CG-CE2 3.5Å; Q116-F317 HydrophobicContact CG-CG 4.46Å; Q116-F317 HydrophobicContact CG-CZ 3.62Å | ||
| 117 | G | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 2% | 0.021 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.2 | -44.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G115 N119 I120 D121 E139 D140 | G115-G117 VanDerWaalsContact C-N 3.33Å; G117-N119 PolarHBondContact O-N 3.24Å; G117-I120 PolarHBondContact O-N 3.48Å; G117-D121 WeakPolarHBondContact O-CB 3.29Å; G117-D121 PolarHBondContact O-N 2.85Å; G117-E139 WeakPolarHBondContact CA-O 3.27Å; G117-E139 PolarHBondContact N-O 2.83Å; G117-D140 PolarHBondContact N-O 3.16Å |
| 118 | R | 98.5 | Very high | 97.4 | Very high | 230 Ų | 230 | 38 Ų | 38 | 87% | 0.868 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -64.3 | -38.3 | 175.6 | -66.9 | -176.1 | -178.8 | 177.8 | 1.6 | 112.7 | Q116 G122 | Q116-R118 PolarHBondContact O-N 3.03Å; R118-G122 PolarHBondContact O-N 3.42Å |
| 119 | N | 98.5 | Very high | 97.2 | Very high | 88 Ų | 88 | 37.8 Ų | 37.8 | 47% | 0.471 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -67.6 | -40.2 | 177.8 | -69 | -26.2 | 0 | 0 | 0 | 111.2 | Q116 G117 H123 | Q116-N119 WeakPolarHBondContact O-CB 3.47Å; Q116-N119 PolarHBondContact O-N 3.22Å; Q116-N119 PolarHBondContact OE1-ND2 3.3Å; G117-N119 PolarHBondContact O-N 3.24Å; N119-H123 PolarHBondContact O-CE1 3.48Å; N119-H123 PolarHBondContact O-ND1 3.13Å |
| 120 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.6 | -53.7 | 175.3 | -70 | 163.8 | 0 | 0 | 0 | 109.9 | A103 V105 Q116 G117 G122 H123 V126 V141 Y268 | A103-I120 HydrophobicContact CB-CG2 4.18Å; V105-I120 HydrophobicContact CG2-CD1 4.15Å; V105-I120 HydrophobicContact CG2-CG1 4.34Å; V105-I120 HydrophobicContact CG2-CG2 3.69Å; Q116-I120 HydrophobicContact CB-CD1 4.05Å; Q116-I120 HydrophobicContact CB-CG1 4.42Å; Q116-I120 WeakPolarHBondContact O-CG1 3.27Å; Q116-I120 PolarHBondContact O-N 2.84Å; G117-I120 PolarHBondContact O-N 3.48Å; I120-G122 PolarHBondContact O-N 3.1Å; I120-H123 WeakPolarHBondContact O-CB 3.33Å; I120-H123 PolarHBondContact O-N 3.41Å; I120-H123 VanDerWaalsContact O-N 3.11Å; I120-H123 PolarHBondContact O-ND1 3.09Å; I120-V126 HydrophobicContact CG2-CG1 3.85Å; I120-V126 HydrophobicContact CG2-CG2 4.16Å; I120-V141 WeakPolarHBondContact CD1-O 3.31Å; I120-Y268 HydrophobicContact CD1-CD1 4.09Å; I120-Y268 HydrophobicContact CD1-CD2 4.45Å; I120-Y268 HydrophobicContact CD1-CG 4Å; I120-Y268 HydrophobicContact CG1-CD1 3.86Å; I120-Y268 HydrophobicContact CG1-CD2 3.75Å; I120-Y268 HydrophobicContact CG1-CE1 3.99Å; I120-Y268 HydrophobicContact CG1-CE2 3.87Å; I120-Y268 HydrophobicContact CG1-CG 3.74Å |
| 121 | D | 98.4 | Very high | 96.2 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 24% | 0.241 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.3 | -22.5 | -175.9 | -71.8 | -8.8 | 0 | 0 | 0 | 113 | G117 H123 G142 T143 K144 | G117-D121 WeakPolarHBondContact O-CB 3.29Å; G117-D121 PolarHBondContact O-N 2.85Å; D121-H123 PolarHBondContact O-N 3.44Å; D121-G142 WeakPolarHBondContact OD1-CA 3.29Å; D121-G142 WeakPolarHBondContact OD2-CA 3.09Å; D121-T143 PolarHBondContact OD1-N 2.93Å; D121-T143 VanDerWaalsContact OD1-N 3.13Å; D121-T143 PolarHBondContact OD2-N 3.41Å; D121-T143 PolarHBondContact OD2-OG1 3.27Å; D121-K144 HydrophobicContact CB-CB 4.22Å; D121-K144 WeakPolarHBondContact OD1-CB 3.26Å; D121-K144 PolarHBondContact OD1-N 3.37Å |
| 122 | G | 97.7 | Very high | 95.9 | Very high | 61 Ų | 61 | 39.4 Ų | 39.4 | 63% | 0.629 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -5.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R118 I120 | R118-G122 PolarHBondContact O-N 3.42Å; I120-G122 PolarHBondContact O-N 3.1Å |
| 123 | H | 96.9 | Very high | 95.8 | Very high | 11 Ų | 11 | 34.8 Ų | 34.8 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -79.4 | 155.8 | 172.2 | -69.5 | 72 | 0 | 0 | 0 | 111.3 | C102 A103 N119 I120 D121 L125 K144 S266 Y268 | C102-H123 PolarHBondContact O-CD2 3.12Å; A103-H123 HydrophobicContact CB-CB 3.95Å; A103-H123 PolarHBondContact N-CD2 3.37Å; N119-H123 PolarHBondContact O-CE1 3.48Å; N119-H123 PolarHBondContact O-ND1 3.13Å; I120-H123 WeakPolarHBondContact O-CB 3.33Å; I120-H123 PolarHBondContact O-N 3.41Å; I120-H123 VanDerWaalsContact O-N 3.11Å; I120-H123 PolarHBondContact O-ND1 3.09Å; D121-H123 PolarHBondContact O-N 3.44Å; H123-L125 VanDerWaalsContact C-N 3.26Å; H123-L125 PolarHBondContact O-N 3.09Å; H123-K144 PolarHBondContact O-NZ 2.83Å; H123-S266 VanDerWaalsContact NE2-CB 3.34Å; H123-S266 WeakPolarHBondContact NE2-CB 3.26Å; H123-S266 PolarHBondContact NE2-OG 3.36Å; H123-Y268 AromaticContact CE1-CE2 3.98Å; H123-Y268 PolarHBondContact CE1-OH 2.95Å |
| 124 | D | 94.1 | Very high | 95.7 | Very high | 40 Ų | 40 | 33.6 Ų | 33.6 | 21% | 0.214 | 19% | 0.19 | C | C | . | . | S | Bend | trans | -61.5 | -40.7 | 176.2 | -61.4 | -58.8 | 0 | 0 | 0 | 110.6 | R98 V100 R101 K144 | R98-D124 IonicContact CZ-OD1 2.79Å; R98-D124 IonicContact NE-OD1 3.74Å; R98-D124 IonicContact NH2-OD1 2.88Å; R98-D124 PolarHBondContact NH2-OD1 3.08Å; V100-D124 HydrophobicContact CG1-CB 4.44Å; R101-D124 WeakPolarHBondContact CB-OD2 3.19Å; R101-D124 PolarHBondContact N-OD2 2.82Å; R101-D124 WeakPolarHBondContact O-CB 3.5Å; R101-D124 PolarHBondContact O-N 3.15Å; D124-K144 VanDerWaalsContact O-CE 3.3Å; D124-K144 WeakPolarHBondContact O-CE 3.46Å; D124-K144 PolarHBondContact O-NZ 2.89Å |
| 125 | L | 95.7 | Very high | 95.5 | Very high | 30 Ų | 30 | 43.3 Ų | 43.3 | 16% | 0.157 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 143.4 | -176.6 | -58.2 | 163.5 | 0 | 0 | 0 | 111.3 | L92 V100 R101 C102 A103 H123 F127 S146 F147 | L92-L125 HydrophobicContact CD2-CD1 3.05Å; L92-L125 HydrophobicContact CD2-CG 4.38Å; V100-L125 HydrophobicContact CG1-CD1 3.52Å; V100-L125 HydrophobicContact CG1-CG 4.36Å; R101-L125 PolarHBondContact O-N 3.03Å; C102-L125 CarbonylContact C-O 3.41Å; C102-L125 WeakPolarHBondContact CA-O 3.49Å; A103-L125 PolarHBondContact N-O 3.21Å; H123-L125 VanDerWaalsContact C-N 3.26Å; H123-L125 PolarHBondContact O-N 3.09Å; L125-F127 HydrophobicContact CB-CE2 4.14Å; L125-S146 WeakPolarHBondContact CA-OG 3.16Å; L125-F147 HydrophobicContact CB-CE2 4.37Å; L125-F147 HydrophobicContact CD1-CE2 4.12Å; L125-F147 HydrophobicContact CD2-CE2 4.07Å; L125-F147 HydrophobicContact CG-CE2 4.4Å |
| 126 | V | 98.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 120.7 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 110.1 | A103 V105 I120 R128 K144 S146 F147 | A103-V126 HydrophobicContact CB-CG2 4.33Å; A103-V126 CarbonylContact O-C 3.56Å; A103-V126 WeakPolarHBondContact O-CA 3.49Å; V105-V126 HydrophobicContact CG2-CG1 3.92Å; I120-V126 HydrophobicContact CG2-CG1 3.85Å; I120-V126 HydrophobicContact CG2-CG2 4.16Å; V126-R128 HydrophobicContact CG1-CG 4.17Å; V126-K144 HydrophobicContact CB-CB 4.43Å; V126-K144 HydrophobicContact CB-CG 4.3Å; V126-K144 WeakPolarHBondContact CB-O 3.42Å; V126-K144 VanDerWaalsContact CG1-O 3.27Å; V126-K144 WeakPolarHBondContact CG1-O 3.35Å; V126-K144 HydrophobicContact CG2-CB 3.9Å; V126-K144 HydrophobicContact CG2-CD 3.9Å; V126-K144 HydrophobicContact CG2-CG 3.83Å; V126-S146 PolarHBondContact N-OG 2.78Å; V126-S146 VanDerWaalsContact N-OG 3.16Å; V126-S146 PolarHBondContact O-N 2.88Å; V126-F147 PolarHBondContact O-N 2.82Å |
| 127 | F | 98.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 44.1 Ų | 44.1 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.4 | 175.2 | -65 | -107.3 | 0 | 0 | 0 | 108.8 | C102 A103 V104 V105 L125 F147 I175 M254 A258 | C102-F127 HydrophobicContact CB-CD2 4.22Å; C102-F127 HydrophobicContact CB-CE2 3.87Å; A103-F127 PolarHBondContact O-N 2.77Å; V104-F127 HydrophobicContact CB-CB 4.41Å; V104-F127 HydrophobicContact CG1-CB 4.13Å; V104-F127 HydrophobicContact CG2-CB 4.18Å; V104-F127 HydrophobicContact CG2-CD2 4.38Å; V104-F127 HydrophobicContact CG2-CG 4.44Å; V105-F127 PolarHBondContact N-O 3.24Å; L125-F127 HydrophobicContact CB-CE2 4.14Å; F127-F147 WeakPolarHBondContact CA-O 3.38Å; F127-F147 HydrophobicContact CD1-CB 3.48Å; F127-F147 VanDerWaalsContact CD1-CB 3.48Å; F127-F147 AromaticContact CD1-CD2 3.8Å; F127-F147 HydrophobicContact CD1-CD2 3.8Å; F127-F147 AromaticContact CD1-CG 3.84Å; F127-F147 HydrophobicContact CD1-CG 3.84Å; F127-F147 HydrophobicContact CD2-CD2 4.14Å; F127-F147 HydrophobicContact CE1-CB 3.78Å; F127-F147 HydrophobicContact CE1-CD1 4.42Å; F127-F147 AromaticContact CE1-CD2 3.37Å; F127-F147 HydrophobicContact CE1-CD2 3.37Å; F127-F147 HydrophobicContact CE1-CE2 4.1Å; F127-F147 AromaticContact CE1-CG 3.58Å; F127-F147 HydrophobicContact CE1-CG 3.58Å; F127-F147 AromaticContact CE2-CD2 3.72Å; F127-F147 HydrophobicContact CE2-CD2 3.72Å; F127-F147 HydrophobicContact CE2-CE2 4.19Å; F127-F147 HydrophobicContact CG-CB 4.05Å; F127-F147 HydrophobicContact CG-CD2 4.17Å; F127-F147 HydrophobicContact CG-CG 4.5Å; F127-F147 AromaticContact CZ-CD2 3.33Å; F127-F147 HydrophobicContact CZ-CD2 3.33Å; F127-F147 AromaticContact CZ-CE2 3.71Å; F127-F147 HydrophobicContact CZ-CE2 3.71Å; F127-F147 HydrophobicContact CZ-CG 4.04Å; F127-I175 HydrophobicContact CE1-CD1 4.38Å; F127-M254 HydrophobicContact CB-CE 4.08Å; F127-M254 HydrophobicContact CD1-CE 3.66Å; F127-M254 HydrophobicContact CG-CE 4.36Å; F127-A258 HydrophobicContact CD2-CB 4.36Å; F127-A258 HydrophobicContact CE2-CB 4.29Å; F127-A258 HydrophobicContact CZ-CB 4.47Å |
| 128 | R | 96.6 | Very high | 95.3 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 162.5 | 172.6 | -57 | -168.9 | -173.5 | -99.2 | -3.7 | 109.9 | V105 V126 A132 V141 G142 K144 V145 F147 Y148 G149 | V105-R128 HydrophobicContact CB-CG 4.32Å; V126-R128 HydrophobicContact CG1-CG 4.17Å; R128-A132 HydrophobicContact CB-CB 3.92Å; R128-V141 VanDerWaalsContact CZ-O 3.23Å; R128-V141 PolarHBondContact NH1-O 3.35Å; R128-V141 PolarHBondContact NH2-O 2.87Å; R128-G142 PolarHBondContact NH2-O 2.86Å; R128-K144 PolarHBondContact NE-O 2.99Å; R128-K144 PolarHBondContact NH2-O 2.82Å; R128-V145 HydrophobicContact CG-CG1 4.49Å; R128-F147 PolarHBondContact N-O 2.81Å; R128-Y148 HydrophobicContact CB-CD2 4.21Å; R128-Y148 CarbonylContact O-C 3.57Å; R128-Y148 WeakPolarHBondContact O-CA 3.34Å; R128-G149 PolarHBondContact O-N 2.89Å |
| 129 | M | 92.1 | Very high | 95.3 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 7% | 0.074 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 159.5 | -178.5 | 68.6 | -154.6 | 90.9 | 0 | 0 | 112.8 | V104 N107 G149 M254 F270 | V104-M129 HydrophobicContact CG1-CE 3.57Å; N107-M129 PolarHBondContact ND2-O 3.13Å; M129-G149 VanDerWaalsContact CA-O 3.24Å; M129-G149 WeakPolarHBondContact CA-O 3.4Å; M129-G149 WeakPolarHBondContact CB-O 3.45Å; M129-M254 HydrophobicContact CB-CG 4.07Å; M129-M254 HydrophobicContact CE-CB 3.6Å; M129-M254 HydrophobicContact CE-CG 4.28Å; M129-M254 HydrophobicContact SD-CB 3.59Å; M129-M254 VanDerWaalsContact SD-CB 3.59Å; M129-M254 HydrophobicContact SD-CG 3.85Å; M129-F270 HydrophobicContact CE-CZ 3.93Å |
| 130 | N | 86.5 | Confident | 95.3 | Very high | 39 Ų | 39 | 41.2 Ų | 41.2 | 21% | 0.209 | 22% | 0.221 | C | C | . | . | S | Bend | trans | 54 | -139.5 | 175 | -59 | -28 | 0 | 0 | 0 | 111.9 | A132 Y148 G149 T154 Y158 | N130-A132 PolarHBondContact O-N 3.27Å; N130-Y148 PolarHBondContact O-OH 3.38Å; N130-G149 PolarHBondContact N-O 2.67Å; N130-T154 PolarHBondContact OD1-OG1 3.49Å; N130-Y158 HydrophobicContact CB-CE2 3.87Å |
| 131 | G | 87.8 | Confident | 95.2 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -69.8 | 60.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | N107 V133 Y158 Y283 | N107-G131 PolarHBondContact ND2-N 3.36Å; G131-V133 VanDerWaalsContact C-N 3.32Å; G131-V133 PolarHBondContact O-N 2.75Å; G131-Y158 VanDerWaalsContact CA-CD2 3.47Å; G131-Y158 VanDerWaalsContact N-CD2 3.31Å; G131-Y283 WeakPolarHBondContact O-CE1 3.22Å; G131-Y283 PolarHBondContact O-OH 2.85Å |
| 132 | A | 92.1 | Very high | 95.2 | Very high | 6 Ų | 6 | 39 Ų | 39 | 5% | 0.05 | 21% | 0.209 | C | C | . | . | trans | -76.5 | 80.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | R128 N130 I134 Y148 | R128-A132 HydrophobicContact CB-CB 3.92Å; N130-A132 PolarHBondContact O-N 3.27Å; A132-I134 PolarHBondContact O-N 3.03Å; A132-Y148 HydrophobicContact CB-CE2 4.05Å | ||
| 133 | V | 93.9 | Very high | 95.2 | Very high | 12 Ų | 12 | 40.3 Ų | 40.3 | 7% | 0.073 | 21% | 0.205 | C | C | . | . | trans | -73.3 | 111.7 | 176 | -176.3 | 0 | 0 | 0 | 0 | 109.6 | G131 F137 F163 Y282 Y283 | G131-V133 VanDerWaalsContact C-N 3.32Å; G131-V133 PolarHBondContact O-N 2.75Å; V133-F137 HydrophobicContact CG1-CD2 4.11Å; V133-F137 HydrophobicContact CG1-CE2 4.31Å; V133-F163 HydrophobicContact CG2-CB 4.09Å; V133-F163 HydrophobicContact CG2-CD2 4.35Å; V133-Y282 HydrophobicContact CB-CE2 4.39Å; V133-Y282 PolarHBondContact N-OH 2.82Å; V133-Y282 VanDerWaalsContact N-OH 3.16Å; V133-Y282 WeakPolarHBondContact O-CE2 3.43Å; V133-Y282 PolarHBondContact O-OH 3.04Å; V133-Y283 HydrophobicContact CB-CD1 3.65Å; V133-Y283 HydrophobicContact CB-CE1 4.28Å; V133-Y283 HydrophobicContact CB-CG 3.9Å; V133-Y283 HydrophobicContact CG2-CD1 3.58Å; V133-Y283 HydrophobicContact CG2-CD2 4.05Å; V133-Y283 HydrophobicContact CG2-CE1 3.85Å; V133-Y283 HydrophobicContact CG2-CE2 4.3Å; V133-Y283 HydrophobicContact CG2-CG 3.68Å | ||
| 134 | I | 94.4 | Very high | 95.2 | Very high | 31 Ų | 31 | 43.2 Ų | 43.2 | 16% | 0.159 | 22% | 0.217 | C | C | . | . | trans | -97.7 | -43 | -179.9 | -66.1 | 172.4 | 0 | 0 | 0 | 111.2 | A132 G136 F137 E138 G142 T143 V145 | A132-I134 PolarHBondContact O-N 3.03Å; I134-G136 PolarHBondContact O-N 3.18Å; I134-F137 CarbonylContact O-C 3.42Å; I134-F137 PolarHBondContact O-N 3.39Å; I134-E138 HydrophobicContact CG2-CG 4.09Å; I134-E138 PolarHBondContact O-N 3.07Å; I134-G142 WeakPolarHBondContact CG2-O 3.34Å; I134-T143 HydrophobicContact CG2-CG2 4.43Å; I134-V145 HydrophobicContact CD1-CG2 3.7Å | ||
| 135 | W | 93.3 | Very high | 95.4 | Very high | 221 Ų | 221 | 42.4 Ų | 42.4 | 84% | 0.837 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64 | 125.3 | -173.5 | -174 | 82.9 | 0 | 0 | 0 | 111.5 | F137 E138 | W135-F137 VanDerWaalsContact C-N 3.32Å; W135-E138 WeakPolarHBondContact CA-OE1 3.26Å |
| 136 | G | 94.3 | Very high | 95.4 | Very high | 51 Ų | 51 | 41.8 Ų | 41.8 | 53% | 0.526 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.2 | -0.1 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | I134 E138 | I134-G136 PolarHBondContact O-N 3.18Å; G136-E138 VanDerWaalsContact CA-OE2 3.3Å; G136-E138 WeakPolarHBondContact CA-OE2 3.4Å; G136-E138 PolarHBondContact N-OE1 3.46Å; G136-E138 PolarHBondContact N-OE2 3.36Å |
| 137 | F | 97 | Very high | 95.2 | Very high | 42 Ų | 42 | 42 Ų | 42 | 18% | 0.184 | 21% | 0.213 | C | C | . | . | trans | -130 | 14.3 | 179.7 | -64.3 | -85.6 | 0 | 0 | 0 | 112.5 | V133 I134 W135 E139 D140 V141 Y282 Y283 | V133-F137 HydrophobicContact CG1-CD2 4.11Å; V133-F137 HydrophobicContact CG1-CE2 4.31Å; I134-F137 CarbonylContact O-C 3.42Å; I134-F137 PolarHBondContact O-N 3.39Å; W135-F137 VanDerWaalsContact C-N 3.32Å; F137-E139 VanDerWaalsContact C-N 3.26Å; F137-E139 PolarHBondContact O-N 2.77Å; F137-D140 WeakPolarHBondContact O-CA 3.48Å; F137-D140 WeakPolarHBondContact O-CB 3.23Å; F137-D140 PolarHBondContact O-N 3Å; F137-V141 HydrophobicContact CB-CG2 4.11Å; F137-V141 WeakPolarHBondContact O-CG2 3.47Å; F137-V141 PolarHBondContact O-N 3.16Å; F137-Y282 HydrophobicContact CB-CD2 4.25Å; F137-Y282 HydrophobicContact CB-CE2 4.11Å; F137-Y282 AromaticContact CD1-CD2 3.92Å; F137-Y282 HydrophobicContact CD1-CD2 3.92Å; F137-Y282 HydrophobicContact CD2-CD2 4.49Å; F137-Y282 HydrophobicContact CD2-CE2 4.4Å; F137-Y282 HydrophobicContact CE1-CD2 4.45Å; F137-Y282 VanDerWaalsContact CE1-O 3.27Å; F137-Y282 WeakPolarHBondContact CE1-O 3.39Å; F137-Y282 AromaticContact CG-CD2 3.95Å; F137-Y282 HydrophobicContact CG-CD2 3.95Å; F137-Y282 HydrophobicContact CG-CE2 4.09Å; F137-Y283 VanDerWaalsContact CZ-CA 3.46Å | ||
| 138 | E | 97.9 | Very high | 95 | Very high | 72 Ų | 72 | 42 Ų | 42 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.5 | -35.3 | -173.1 | -64 | 87.8 | 162.2 | 0 | 0 | 112.8 | I134 W135 G136 D140 G142 T143 | I134-E138 HydrophobicContact CG2-CG 4.09Å; I134-E138 PolarHBondContact O-N 3.07Å; W135-E138 WeakPolarHBondContact CA-OE1 3.26Å; G136-E138 VanDerWaalsContact CA-OE2 3.3Å; G136-E138 WeakPolarHBondContact CA-OE2 3.4Å; G136-E138 PolarHBondContact N-OE1 3.46Å; G136-E138 PolarHBondContact N-OE2 3.36Å; E138-D140 VanDerWaalsContact C-N 3.25Å; E138-D140 PolarHBondContact O-N 3.45Å; E138-G142 WeakPolarHBondContact O-CA 3.26Å; E138-G142 PolarHBondContact O-N 3.37Å; E138-T143 HydrophobicContact CB-CG2 3.88Å; E138-T143 HydrophobicContact CG-CG2 3.53Å |
| 139 | E | 98.4 | Very high | 94.7 | Very high | 168 Ų | 168 | 42 Ų | 42 | 79% | 0.785 | 21% | 0.213 | S | C | * | . | H | α-helix | trans | -64.2 | -32.8 | 176.1 | -64.6 | -166.8 | 159 | 0 | 0 | 112.5 | G115 Q116 G117 F137 | G115-E139 CarbonylContact C-O 3.6Å; G115-E139 VanDerWaalsContact CA-O 3.27Å; G115-E139 WeakPolarHBondContact CA-O 3.31Å; Q116-E139 PolarHBondContact N-O 2.89Å; G117-E139 WeakPolarHBondContact CA-O 3.27Å; G117-E139 PolarHBondContact N-O 2.83Å; F137-E139 VanDerWaalsContact C-N 3.26Å; F137-E139 PolarHBondContact O-N 2.77Å |
| 140 | D | 98.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 41.8 Ų | 41.8 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -87.1 | -44.1 | -178 | -75.2 | -31.8 | 0 | 0 | 0 | 112.4 | L111 G113 A114 G115 Q116 G117 F137 E138 | L111-D140 VanDerWaalsContact O-CB 3.25Å; L111-D140 WeakPolarHBondContact O-CB 3.1Å; G113-D140 VanDerWaalsContact C-OD1 3.24Å; G113-D140 WeakPolarHBondContact CA-OD1 3.5Å; G113-D140 PolarHBondContact N-OD1 3.38Å; G113-D140 PolarHBondContact N-OD2 3.05Å; A114-D140 PolarHBondContact N-OD1 3.33Å; G115-D140 PolarHBondContact N-OD1 3.02Å; Q116-D140 CarbonylContact C-O 3.54Å; Q116-D140 WeakPolarHBondContact CB-O 3.46Å; Q116-D140 PolarHBondContact N-O 2.77Å; G117-D140 PolarHBondContact N-O 3.16Å; F137-D140 WeakPolarHBondContact O-CA 3.48Å; F137-D140 WeakPolarHBondContact O-CB 3.23Å; F137-D140 PolarHBondContact O-N 3Å; E138-D140 VanDerWaalsContact C-N 3.25Å; E138-D140 PolarHBondContact O-N 3.45Å |
| 141 | V | 98.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -115.1 | -7.3 | -167.9 | -50.1 | 0 | 0 | 0 | 0 | 114 | L111 I120 R128 F137 Y282 | L111-V141 HydrophobicContact CB-CG1 4.11Å; L111-V141 HydrophobicContact CD1-CG1 3.97Å; I120-V141 WeakPolarHBondContact CD1-O 3.31Å; R128-V141 VanDerWaalsContact CZ-O 3.23Å; R128-V141 PolarHBondContact NH1-O 3.35Å; R128-V141 PolarHBondContact NH2-O 2.87Å; F137-V141 HydrophobicContact CB-CG2 4.11Å; F137-V141 WeakPolarHBondContact O-CG2 3.47Å; F137-V141 PolarHBondContact O-N 3.16Å; V141-Y282 HydrophobicContact CG1-CD1 4.15Å; V141-Y282 HydrophobicContact CG1-CD2 4Å; V141-Y282 HydrophobicContact CG1-CE1 3.95Å; V141-Y282 HydrophobicContact CG1-CE2 3.81Å; V141-Y282 HydrophobicContact CG1-CG 4.19Å; V141-Y282 HydrophobicContact CG2-CE2 4.4Å |
| 142 | G | 98.2 | Very high | 92.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | 74.1 | 176.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D121 R128 I134 E138 | D121-G142 WeakPolarHBondContact OD1-CA 3.29Å; D121-G142 WeakPolarHBondContact OD2-CA 3.09Å; R128-G142 PolarHBondContact NH2-O 2.86Å; I134-G142 WeakPolarHBondContact CG2-O 3.34Å; E138-G142 WeakPolarHBondContact O-CA 3.26Å; E138-G142 PolarHBondContact O-N 3.37Å | ||
| 143 | T | 97.1 | Very high | 91.1 | Very high | 88 Ų | 88 | 43.5 Ų | 43.5 | 54% | 0.54 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -113.2 | -19 | -177.6 | 60.9 | 0 | 0 | 0 | 0 | 113.6 | D121 I134 E138 | D121-T143 PolarHBondContact OD1-N 2.93Å; D121-T143 VanDerWaalsContact OD1-N 3.13Å; D121-T143 PolarHBondContact OD2-N 3.41Å; D121-T143 PolarHBondContact OD2-OG1 3.27Å; I134-T143 HydrophobicContact CG2-CG2 4.43Å; E138-T143 HydrophobicContact CB-CG2 3.88Å; E138-T143 HydrophobicContact CG-CG2 3.53Å |
| 144 | K | 97.6 | Very high | 89.8 | Confident | 72 Ų | 72 | 44.1 Ų | 44.1 | 31% | 0.313 | 23% | 0.225 | S | C | . | . | trans | -69.9 | 136.7 | -175.1 | -173.2 | 172.8 | 176.7 | 177.5 | 0 | 110.9 | D121 H123 D124 V126 R128 | D121-K144 HydrophobicContact CB-CB 4.22Å; D121-K144 WeakPolarHBondContact OD1-CB 3.26Å; D121-K144 PolarHBondContact OD1-N 3.37Å; H123-K144 PolarHBondContact O-NZ 2.83Å; D124-K144 VanDerWaalsContact O-CE 3.3Å; D124-K144 WeakPolarHBondContact O-CE 3.46Å; D124-K144 PolarHBondContact O-NZ 2.89Å; V126-K144 HydrophobicContact CB-CB 4.43Å; V126-K144 HydrophobicContact CB-CG 4.3Å; V126-K144 WeakPolarHBondContact CB-O 3.42Å; V126-K144 VanDerWaalsContact CG1-O 3.27Å; V126-K144 WeakPolarHBondContact CG1-O 3.35Å; V126-K144 HydrophobicContact CG2-CB 3.9Å; V126-K144 HydrophobicContact CG2-CD 3.9Å; V126-K144 HydrophobicContact CG2-CG 3.83Å; R128-K144 PolarHBondContact NE-O 2.99Å; R128-K144 PolarHBondContact NH2-O 2.82Å | ||
| 145 | V | 97 | Very high | 88.5 | Confident | 22 Ų | 22 | 43 Ų | 43 | 13% | 0.133 | 22% | 0.219 | C | C | . | . | trans | -138.4 | 122.1 | 172.2 | -168.7 | 0 | 0 | 0 | 0 | 108.3 | R128 I134 P167 I172 | R128-V145 HydrophobicContact CG-CG1 4.49Å; I134-V145 HydrophobicContact CD1-CG2 3.7Å; V145-P167 HydrophobicContact CB-CB 4.38Å; V145-P167 HydrophobicContact CB-CG 4.49Å; V145-P167 HydrophobicContact CG1-CB 4.3Å; V145-P167 HydrophobicContact CG1-CG 3.89Å; V145-P167 HydrophobicContact CG2-CB 3.87Å; V145-P167 HydrophobicContact CG2-CG 4.19Å; V145-I172 HydrophobicContact CB-CD1 3.96Å; V145-I172 HydrophobicContact CB-CG1 4.35Å; V145-I172 HydrophobicContact CG1-CD1 4.16Å; V145-I172 HydrophobicContact CG1-CG1 4.49Å; V145-I172 HydrophobicContact CG1-CG2 4.23Å | ||
| 146 | S | 95.6 | Very high | 87.2 | Confident | 17 Ų | 17 | 35.3 Ų | 35.3 | 12% | 0.119 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -107.2 | -42.4 | 172.8 | -51.4 | 0 | 0 | 0 | 0 | 110.5 | L125 V126 K173 | L125-S146 WeakPolarHBondContact CA-OG 3.16Å; V126-S146 PolarHBondContact N-OG 2.78Å; V126-S146 VanDerWaalsContact N-OG 3.16Å; V126-S146 PolarHBondContact O-N 2.88Å; S146-K173 PolarHBondContact O-N 2.86Å |
| 147 | F | 95.1 | Very high | 85.9 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 136.2 | 177.9 | -60.5 | -80.2 | 0 | 0 | 0 | 111 | L91 L125 V126 F127 R128 K173 I175 | L91-F147 HydrophobicContact CB-CE1 4.35Å; L91-F147 HydrophobicContact CB-CZ 4.04Å; L91-F147 HydrophobicContact CD2-CD1 3.86Å; L91-F147 HydrophobicContact CD2-CE1 3.32Å; L91-F147 HydrophobicContact CD2-CZ 3.83Å; L91-F147 HydrophobicContact CG-CE1 4.43Å; L91-F147 WeakPolarHBondContact O-CZ 3.41Å; L125-F147 HydrophobicContact CB-CE2 4.37Å; L125-F147 HydrophobicContact CD1-CE2 4.12Å; L125-F147 HydrophobicContact CD2-CE2 4.07Å; L125-F147 HydrophobicContact CG-CE2 4.4Å; V126-F147 PolarHBondContact O-N 2.82Å; F127-F147 WeakPolarHBondContact CA-O 3.38Å; F127-F147 HydrophobicContact CD1-CB 3.48Å; F127-F147 VanDerWaalsContact CD1-CB 3.48Å; F127-F147 AromaticContact CD1-CD2 3.8Å; F127-F147 HydrophobicContact CD1-CD2 3.8Å; F127-F147 AromaticContact CD1-CG 3.84Å; F127-F147 HydrophobicContact CD1-CG 3.84Å; F127-F147 HydrophobicContact CD2-CD2 4.14Å; F127-F147 HydrophobicContact CE1-CB 3.78Å; F127-F147 HydrophobicContact CE1-CD1 4.42Å; F127-F147 AromaticContact CE1-CD2 3.37Å; F127-F147 HydrophobicContact CE1-CD2 3.37Å; F127-F147 HydrophobicContact CE1-CE2 4.1Å; F127-F147 AromaticContact CE1-CG 3.58Å; F127-F147 HydrophobicContact CE1-CG 3.58Å; F127-F147 AromaticContact CE2-CD2 3.72Å; F127-F147 HydrophobicContact CE2-CD2 3.72Å; F127-F147 HydrophobicContact CE2-CE2 4.19Å; F127-F147 HydrophobicContact CG-CB 4.05Å; F127-F147 HydrophobicContact CG-CD2 4.17Å; F127-F147 HydrophobicContact CG-CG 4.5Å; F127-F147 AromaticContact CZ-CD2 3.33Å; F127-F147 HydrophobicContact CZ-CD2 3.33Å; F127-F147 AromaticContact CZ-CE2 3.71Å; F127-F147 HydrophobicContact CZ-CE2 3.71Å; F127-F147 HydrophobicContact CZ-CG 4.04Å; R128-F147 PolarHBondContact N-O 2.81Å; F147-K173 CarbonylContact C-O 3.04Å; F147-K173 VanDerWaalsContact CA-O 3.26Å; F147-K173 WeakPolarHBondContact CA-O 3.42Å; F147-K173 HydrophobicContact CD1-CB 3.6Å; F147-K173 HydrophobicContact CD1-CG 4.37Å; F147-K173 HydrophobicContact CE1-CB 3.62Å; F147-K173 HydrophobicContact CE1-CG 3.92Å; F147-I175 HydrophobicContact CB-CD1 4Å; F147-I175 HydrophobicContact CB-CG1 4.47Å; F147-I175 HydrophobicContact CD1-CD1 3.77Å; F147-I175 HydrophobicContact CD1-CG1 4.13Å; F147-I175 HydrophobicContact CG-CD1 4.11Å |
| 148 | Y | 93.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 111.1 | 173.6 | -177.1 | -96.1 | 0 | 0 | 0 | 110.5 | R128 N130 A132 F150 L155 F163 V166 P167 K173 F174 I175 | R128-Y148 HydrophobicContact CB-CD2 4.21Å; R128-Y148 CarbonylContact O-C 3.57Å; R128-Y148 WeakPolarHBondContact O-CA 3.34Å; N130-Y148 PolarHBondContact O-OH 3.38Å; A132-Y148 HydrophobicContact CB-CE2 4.05Å; Y148-F150 HydrophobicContact CD1-CB 4.31Å; Y148-F150 HydrophobicContact CD1-CD1 4.49Å; Y148-F150 HydrophobicContact CE1-CB 3.86Å; Y148-L155 HydrophobicContact CE1-CD2 3.97Å; Y148-F163 VanDerWaalsContact OH-CZ 3.29Å; Y148-F163 WeakPolarHBondContact OH-CZ 3.19Å; Y148-V166 HydrophobicContact CD1-CB 4.27Å; Y148-V166 HydrophobicContact CD1-CG1 4.31Å; Y148-V166 HydrophobicContact CE1-CB 3.83Å; Y148-V166 HydrophobicContact CE1-CG1 3.49Å; Y148-V166 VanDerWaalsContact CE1-CG1 3.49Å; Y148-P167 VanDerWaalsContact CD2-CD 3.48Å; Y148-P167 HydrophobicContact CD2-CG 3.53Å; Y148-P167 HydrophobicContact CE2-CG 4.13Å; Y148-P167 HydrophobicContact CG-CG 3.9Å; Y148-K173 PolarHBondContact N-O 3.05Å; Y148-F174 AromaticContact CD1-CD1 3.95Å; Y148-F174 HydrophobicContact CD1-CD1 3.95Å; Y148-F174 HydrophobicContact CD1-CE1 4.3Å; Y148-F174 HydrophobicContact CG-CD1 4.42Å; Y148-F174 CarbonylContact O-C 3.6Å; Y148-F174 WeakPolarHBondContact O-CA 3.41Å; Y148-I175 PolarHBondContact O-N 3.48Å |
| 149 | G | 90.3 | Very high | 83.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 133.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | R128 M129 N130 I175 | R128-G149 PolarHBondContact O-N 2.89Å; M129-G149 VanDerWaalsContact CA-O 3.24Å; M129-G149 WeakPolarHBondContact CA-O 3.4Å; M129-G149 WeakPolarHBondContact CB-O 3.45Å; N130-G149 PolarHBondContact N-O 2.67Å; G149-I175 WeakPolarHBondContact CA-O 3.15Å |
| 150 | F | 81.7 | Confident | 83 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 5% | 0.048 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 149 | 179.4 | 71.9 | -77.5 | 0 | 0 | 0 | 112.9 | Y148 T152 L155 F174 I175 F176 I177 F211 | Y148-F150 HydrophobicContact CD1-CB 4.31Å; Y148-F150 HydrophobicContact CD1-CD1 4.49Å; Y148-F150 HydrophobicContact CE1-CB 3.86Å; F150-T152 HydrophobicContact CE2-CG2 4.48Å; F150-L155 HydrophobicContact CB-CD2 3.89Å; F150-L155 HydrophobicContact CB-CG 4.4Å; F150-L155 HydrophobicContact CD2-CD1 3.98Å; F150-L155 HydrophobicContact CD2-CG 4.43Å; F150-F174 HydrophobicContact CD1-CB 4.44Å; F150-F174 HydrophobicContact CE1-CB 3.91Å; F150-I175 WeakPolarHBondContact CD1-O 3.29Å; F150-I175 PolarHBondContact N-O 3.09Å; F150-F176 HydrophobicContact CD2-CD2 4.3Å; F150-F176 HydrophobicContact CE1-CB 4.11Å; F150-F176 AromaticContact CE2-CD2 3.74Å; F150-F176 HydrophobicContact CE2-CD2 3.74Å; F150-F176 HydrophobicContact CE2-CE2 4.5Å; F150-F176 HydrophobicContact CZ-CB 3.92Å; F150-F176 AromaticContact CZ-CD2 3.93Å; F150-F176 HydrophobicContact CZ-CD2 3.93Å; F150-F176 HydrophobicContact CZ-CG 4.35Å; F150-I177 PolarHBondContact O-N 2.74Å; F150-F211 HydrophobicContact CD1-CE1 4.23Å; F150-F211 HydrophobicContact CD1-CZ 4.13Å; F150-F211 AromaticContact CD2-CZ 3.88Å; F150-F211 HydrophobicContact CD2-CZ 3.88Å; F150-F211 HydrophobicContact CE1-CE1 4.12Å; F150-F211 AromaticContact CE1-CZ 3.83Å; F150-F211 HydrophobicContact CE1-CZ 3.83Å; F150-F211 HydrophobicContact CE2-CE2 4.14Å; F150-F211 AromaticContact CE2-CZ 3.54Å; F150-F211 HydrophobicContact CE2-CZ 3.54Å; F150-F211 HydrophobicContact CG-CE1 4.49Å; F150-F211 HydrophobicContact CG-CZ 4.16Å; F150-F211 HydrophobicContact CZ-CE1 4.25Å; F150-F211 HydrophobicContact CZ-CE2 4.08Å; F150-F211 AromaticContact CZ-CZ 3.51Å; F150-F211 HydrophobicContact CZ-CZ 3.51Å |
| 151 | T | 75.6 | Confident | 81.9 | Confident | 11 Ų | 11 | 43 Ų | 43 | 7% | 0.067 | 22% | 0.217 | C | C | . | . | trans | -104.9 | 155.5 | 156.1 | 70.9 | 0 | 0 | 0 | 0 | 107.5 | N153 T154 I177 S179 M250 | T151-N153 PolarHBondContact O-N 3.3Å; T151-T154 PolarHBondContact N-OG1 2.95Å; T151-T154 PolarHBondContact O-N 3.32Å; T151-T154 PolarHBondContact O-OG1 3.28Å; T151-T154 VanDerWaalsContact OG1-CG2 3.22Å; T151-T154 WeakPolarHBondContact OG1-CG2 3.37Å; T151-T154 PolarHBondContact OG1-N 3.37Å; T151-T154 PolarHBondContact OG1-OG1 3.23Å; T151-T154 VanDerWaalsContact OG1-OG1 3.09Å; T151-I177 HydrophobicContact CG2-CB 4Å; T151-I177 HydrophobicContact CG2-CD1 4.48Å; T151-I177 HydrophobicContact CG2-CG2 4.26Å; T151-S179 VanDerWaalsContact CB-OG 3.26Å; T151-S179 WeakPolarHBondContact CB-OG 3.38Å; T151-S179 VanDerWaalsContact CG2-OG 3.23Å; T151-S179 WeakPolarHBondContact CG2-OG 3.25Å; T151-M250 HydrophobicContact CG2-CE 4.21Å | ||
| 152 | T | 65.1 | Low | 81 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 9% | 0.086 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.3 | -23.6 | -176 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | F150 F176 L200 V203 | F150-T152 HydrophobicContact CE2-CG2 4.48Å; T152-F176 HydrophobicContact CG2-CE2 3.81Å; T152-L200 HydrophobicContact CG2-CD1 3.25Å; T152-L200 WeakPolarHBondContact OG1-CD1 3.2Å; T152-V203 HydrophobicContact CG2-CB 4.13Å; T152-V203 HydrophobicContact CG2-CG1 4.06Å |
| 153 | N | 61.9 | Low | 80.3 | Confident | 56 Ų | 56 | 45.6 Ų | 45.6 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -36.6 | 178.3 | -162.3 | 23.7 | 0 | 0 | 0 | 111.4 | T151 L155 W157 | T151-N153 PolarHBondContact O-N 3.3Å; N153-L155 VanDerWaalsContact C-N 3.28Å; N153-L155 PolarHBondContact O-N 2.83Å; N153-W157 PolarHBondContact O-NE1 2.76Å; N153-W157 PolarHBondContact OD1-NE1 2.73Å |
| 154 | T | 65.4 | Low | 79.6 | Confident | 26 Ų | 26 | 46.4 Ų | 46.4 | 16% | 0.16 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -71.2 | -18.5 | -172 | 54.2 | 0 | 0 | 0 | 0 | 114.3 | N130 T151 S156 Y158 | N130-T154 PolarHBondContact OD1-OG1 3.49Å; T151-T154 PolarHBondContact N-OG1 2.95Å; T151-T154 PolarHBondContact O-N 3.32Å; T151-T154 PolarHBondContact O-OG1 3.28Å; T151-T154 VanDerWaalsContact OG1-CG2 3.22Å; T151-T154 WeakPolarHBondContact OG1-CG2 3.37Å; T151-T154 PolarHBondContact OG1-N 3.37Å; T151-T154 PolarHBondContact OG1-OG1 3.23Å; T151-T154 VanDerWaalsContact OG1-OG1 3.09Å; T154-S156 PolarHBondContact O-N 3.2Å; T154-Y158 WeakPolarHBondContact O-CD2 3.1Å; T154-Y158 WeakPolarHBondContact O-CE2 3.42Å |
| 155 | L | 66.4 | Low | 78.9 | Confident | 6 Ų | 6 | 44.8 Ų | 44.8 | 3% | 0.031 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -68.3 | -28 | -175.5 | -63.6 | -176.2 | 0 | 0 | 0 | 114.7 | Y148 F150 N153 V166 Y210 F211 | Y148-L155 HydrophobicContact CE1-CD2 3.97Å; F150-L155 HydrophobicContact CB-CD2 3.89Å; F150-L155 HydrophobicContact CB-CG 4.4Å; F150-L155 HydrophobicContact CD2-CD1 3.98Å; F150-L155 HydrophobicContact CD2-CG 4.43Å; N153-L155 VanDerWaalsContact C-N 3.28Å; N153-L155 PolarHBondContact O-N 2.83Å; L155-V166 HydrophobicContact CD1-CG1 4.33Å; L155-V166 HydrophobicContact CD2-CG1 3.43Å; L155-V166 VanDerWaalsContact CD2-CG1 3.43Å; L155-V166 HydrophobicContact CG-CG1 4.46Å; L155-Y210 HydrophobicContact CB-CD1 4.42Å; L155-Y210 HydrophobicContact CD1-CD1 4.07Å; L155-Y210 HydrophobicContact CD1-CG 4.43Å; L155-F211 HydrophobicContact CD1-CZ 3.89Å |
| 156 | S | 66.3 | Low | 78.5 | Confident | 60 Ų | 60 | 44.1 Ų | 44.1 | 42% | 0.42 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -96.2 | -18.9 | -178.5 | 52.9 | 0 | 0 | 0 | 0 | 114.2 | T154 | T154-S156 PolarHBondContact O-N 3.2Å |
| 157 | W | 68.2 | Low | 78.2 | Confident | 166 Ų | 166 | 44.2 Ų | 44.2 | 63% | 0.629 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -73.1 | -31.3 | -168.9 | -75.9 | 48.1 | 0 | 0 | 0 | 113.4 | N153 P160 | N153-W157 PolarHBondContact O-NE1 2.76Å; N153-W157 PolarHBondContact OD1-NE1 2.73Å; W157-P160 WeakPolarHBondContact O-CD 3.02Å |
| 158 | Y | 74.4 | Confident | 78 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91 | 1.9 | -174.1 | -58.7 | -75.4 | 0 | 0 | 0 | 114.5 | N130 G131 T154 P160 D161 F163 H281 Y283 | N130-Y158 HydrophobicContact CB-CE2 3.87Å; G131-Y158 VanDerWaalsContact CA-CD2 3.47Å; G131-Y158 VanDerWaalsContact N-CD2 3.31Å; T154-Y158 WeakPolarHBondContact O-CD2 3.1Å; T154-Y158 WeakPolarHBondContact O-CE2 3.42Å; Y158-P160 VanDerWaalsContact C-CD 3.45Å; Y158-D161 PolarHBondContact O-N 2.77Å; Y158-F163 VanDerWaalsContact O-CB 3.22Å; Y158-F163 WeakPolarHBondContact O-CB 3.42Å; Y158-F163 PolarHBondContact O-N 3.15Å; Y158-H281 AromaticContact CE1-NE2 3.91Å; Y158-Y283 WeakPolarHBondContact CD1-OH 3.25Å |
| 159 | R | 77.8 | Confident | 77.7 | Confident | 154 Ų | 154 | 49.7 Ų | 49.7 | 58% | 0.581 | 29% | 0.288 | S | S | * | . | G | 310 helix | trans | -55.6 | -42.8 | 179.4 | -75 | -173.1 | 175.8 | 179.6 | -2.2 | 113.6 | D161 G162 | R159-D161 PolarHBondContact O-N 3.12Å; R159-G162 PolarHBondContact O-N 2.74Å |
| 160 | P | 79.5 | Confident | 77.4 | Confident | 112 Ų | 112 | 54.8 Ų | 54.8 | 73% | 0.727 | 32% | 0.321 | S | S | * | . | G | 310 helix | trans | -62.3 | -24.6 | 177.5 | -23 | 35.7 | 0 | 0 | 0 | 113.7 | W157 Y158 G162 | W157-P160 WeakPolarHBondContact O-CD 3.02Å; Y158-P160 VanDerWaalsContact C-CD 3.45Å; P160-G162 VanDerWaalsContact C-N 3.34Å |
| 161 | D | 74.9 | Confident | 77.7 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 19% | 0.193 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -95.2 | 17.3 | -177.9 | -51.5 | -57.8 | 0 | 0 | 0 | 112.5 | Y158 R159 Y283 R288 | Y158-D161 PolarHBondContact O-N 2.77Å; R159-D161 PolarHBondContact O-N 3.12Å; D161-Y283 HydrophobicContact CB-CD2 3.86Å; D161-Y283 HydrophobicContact CB-CE2 3.63Å; D161-Y283 WeakPolarHBondContact O-CD2 3.46Å; D161-R288 IonicContact OD1-CZ 2.89Å; D161-R288 IonicContact OD1-NH1 3.99Å; D161-R288 PolarHBondContact OD1-NH1 2.89Å; D161-R288 IonicContact OD1-NH2 3.75Å; D161-R288 PolarHBondContact OD1-NH2 3.06Å; D161-R288 IonicContact OD2-NH1 3.21Å |
| 162 | G | 79 | Confident | 78.4 | Confident | 50 Ų | 50 | 60.4 Ų | 60.4 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.1 | 4.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R159 P160 A164 | R159-G162 PolarHBondContact O-N 2.74Å; P160-G162 VanDerWaalsContact C-N 3.34Å; G162-A164 PolarHBondContact O-N 2.93Å |
| 163 | F | 84.9 | Confident | 79.6 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.026 | 36% | 0.358 | C | S | . | . | trans | -73.8 | 94.6 | 174.2 | -173.4 | -112.3 | 0 | 0 | 0 | 111.3 | V133 Y148 Y158 G165 V166 | V133-F163 HydrophobicContact CG2-CB 4.09Å; V133-F163 HydrophobicContact CG2-CD2 4.35Å; Y148-F163 VanDerWaalsContact OH-CZ 3.29Å; Y148-F163 WeakPolarHBondContact OH-CZ 3.19Å; Y158-F163 VanDerWaalsContact O-CB 3.22Å; Y158-F163 WeakPolarHBondContact O-CB 3.42Å; Y158-F163 PolarHBondContact O-N 3.15Å; F163-G165 VanDerWaalsContact C-N 3.3Å; F163-G165 WeakPolarHBondContact CE2-O 3.31Å; F163-G165 VanDerWaalsContact CZ-O 3.25Å; F163-G165 WeakPolarHBondContact CZ-O 3.39Å; F163-G165 PolarHBondContact O-N 3.04Å; F163-V166 HydrophobicContact CZ-CG1 4.18Å | ||
| 164 | A | 81.3 | Confident | 80.8 | Confident | 104 Ų | 104 | 59.5 Ų | 59.5 | 86% | 0.86 | 34% | 0.343 | S | S | * | . | trans | -67.7 | -28.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G162 | G162-A164 PolarHBondContact O-N 2.93Š| ||
| 165 | G | 83.9 | Confident | 81.8 | Confident | 38 Ų | 38 | 58.3 Ų | 58.3 | 39% | 0.392 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 162.9 | 174.7 | 180 | 0 | 0 | 0 | 0 | 0 | 112 | F163 | F163-G165 VanDerWaalsContact C-N 3.3Å; F163-G165 WeakPolarHBondContact CE2-O 3.31Å; F163-G165 VanDerWaalsContact CZ-O 3.25Å; F163-G165 WeakPolarHBondContact CZ-O 3.39Å; F163-G165 PolarHBondContact O-N 3.04Å |
| 166 | V | 87.4 | Confident | 82.6 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.055 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -65 | 146.7 | 176.3 | -53.1 | 0 | 0 | 0 | 0 | 110.3 | Y148 L155 F163 Q168 F174 Y210 F211 | Y148-V166 HydrophobicContact CD1-CB 4.27Å; Y148-V166 HydrophobicContact CD1-CG1 4.31Å; Y148-V166 HydrophobicContact CE1-CB 3.83Å; Y148-V166 HydrophobicContact CE1-CG1 3.49Å; Y148-V166 VanDerWaalsContact CE1-CG1 3.49Å; L155-V166 HydrophobicContact CD1-CG1 4.33Å; L155-V166 HydrophobicContact CD2-CG1 3.43Å; L155-V166 VanDerWaalsContact CD2-CG1 3.43Å; L155-V166 HydrophobicContact CG-CG1 4.46Å; F163-V166 HydrophobicContact CZ-CG1 4.18Å; V166-Q168 PolarHBondContact O-N 3.18Å; V166-Q168 PolarHBondContact O-NE2 2.75Å; V166-Q168 VanDerWaalsContact O-NE2 3.15Å; V166-F174 HydrophobicContact CB-CE1 4.48Å; V166-F174 HydrophobicContact CG2-CE1 4.14Å; V166-Y210 WeakPolarHBondContact CG2-O 3.06Å; V166-F211 HydrophobicContact CB-CE1 4.48Å; V166-F211 HydrophobicContact CG1-CE1 4.14Å; V166-F211 HydrophobicContact CG2-CD1 3.74Å; V166-F211 HydrophobicContact CG2-CE1 4.09Å |
| 167 | P | 90.3 | Very high | 83.2 | Confident | 18 Ų | 18 | 57.8 Ų | 57.8 | 12% | 0.117 | 33% | 0.326 | C | S | . | . | trans | -59.9 | 140.3 | 178.8 | 24.7 | -34.1 | 0 | 0 | 0 | 111.1 | V145 Y148 I172 | V145-P167 HydrophobicContact CB-CB 4.38Å; V145-P167 HydrophobicContact CB-CG 4.49Å; V145-P167 HydrophobicContact CG1-CB 4.3Å; V145-P167 HydrophobicContact CG1-CG 3.89Å; V145-P167 HydrophobicContact CG2-CB 3.87Å; V145-P167 HydrophobicContact CG2-CG 4.19Å; Y148-P167 VanDerWaalsContact CD2-CD 3.48Å; Y148-P167 HydrophobicContact CD2-CG 3.53Å; Y148-P167 HydrophobicContact CE2-CG 4.13Å; Y148-P167 HydrophobicContact CG-CG 3.9Å; P167-I172 HydrophobicContact CB-CD1 4.01Å | ||
| 168 | Q | 89.6 | Confident | 83.5 | Confident | 104 Ų | 104 | 50.7 Ų | 50.7 | 49% | 0.486 | 30% | 0.302 | S | S | . | . | trans | -111.5 | 135.8 | -179.2 | -59.9 | -61 | -38.2 | 0 | 0 | 110 | V166 I172 Y210 F211 | V166-Q168 PolarHBondContact O-N 3.18Å; V166-Q168 PolarHBondContact O-NE2 2.75Å; V166-Q168 VanDerWaalsContact O-NE2 3.15Å; Q168-I172 VanDerWaalsContact C-CD1 3.45Å; Q168-Y210 PolarHBondContact NE2-O 3.49Å; Q168-Y210 VanDerWaalsContact NE2-O 3.09Å; Q168-F211 PolarHBondContact OE1-O 3.22Å; Q168-F211 VanDerWaalsContact OE1-O 3.05Å | ||
| 169 | G | 87.9 | Confident | 83 | Confident | 17 Ų | 17 | 49 Ų | 49 | 18% | 0.175 | 30% | 0.297 | C | S | . | . | trans | -175.6 | 150.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | D171 K214 | G169-D171 PolarHBondContact O-N 3.41Å; G169-K214 PolarHBondContact O-NZ 3.13Å | ||
| 170 | P | 84.7 | Confident | 82.1 | Confident | 107 Ų | 107 | 45.1 Ų | 45.1 | 70% | 0.695 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -34.8 | -177.6 | 24.2 | -32.6 | 0 | 0 | 0 | 112.2 | ||
| 171 | D | 87.1 | Confident | 80.5 | Confident | 133 Ų | 133 | 40.3 Ų | 40.3 | 71% | 0.711 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -0.9 | -173 | -55.1 | -51.8 | 0 | 0 | 0 | 114.3 | G169 K173 | G169-D171 PolarHBondContact O-N 3.41Å; D171-K173 PolarHBondContact O-N 3.22Å |
| 172 | I | 91 | Very high | 79 | Confident | 8 Ų | 8 | 46.5 Ų | 46.5 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | P | Polyproline II helix | trans | -69 | 129.7 | -178.9 | -59.3 | -177.3 | 0 | 0 | 0 | 109.8 | V145 P167 Q168 F174 | V145-I172 HydrophobicContact CB-CD1 3.96Å; V145-I172 HydrophobicContact CB-CG1 4.35Å; V145-I172 HydrophobicContact CG1-CD1 4.16Å; V145-I172 HydrophobicContact CG1-CG1 4.49Å; V145-I172 HydrophobicContact CG1-CG2 4.23Å; P167-I172 HydrophobicContact CB-CD1 4.01Å; Q168-I172 VanDerWaalsContact C-CD1 3.45Å; I172-F174 HydrophobicContact CB-CZ 4.33Å; I172-F174 HydrophobicContact CG2-CD1 4.35Å; I172-F174 HydrophobicContact CG2-CE1 3.91Å; I172-F174 HydrophobicContact CG2-CE2 4.25Å; I172-F174 HydrophobicContact CG2-CZ 3.86Å |
| 173 | K | 89.4 | Confident | 77.1 | Confident | 51 Ų | 51 | 45.9 Ų | 45.9 | 22% | 0.222 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 125.7 | 171.6 | -54.5 | -56 | 178.1 | -173.5 | 0 | 110.6 | S146 F147 Y148 D171 E217 S218 | S146-K173 PolarHBondContact O-N 2.86Å; F147-K173 CarbonylContact C-O 3.04Å; F147-K173 VanDerWaalsContact CA-O 3.26Å; F147-K173 WeakPolarHBondContact CA-O 3.42Å; F147-K173 HydrophobicContact CD1-CB 3.6Å; F147-K173 HydrophobicContact CD1-CG 4.37Å; F147-K173 HydrophobicContact CE1-CB 3.62Å; F147-K173 HydrophobicContact CE1-CG 3.92Å; Y148-K173 PolarHBondContact N-O 3.05Å; D171-K173 PolarHBondContact O-N 3.22Å; K173-E217 PolarHBondContact NZ-O 3.01Å; K173-E217 VanDerWaalsContact NZ-O 3.15Å; K173-S218 CarbonylContact C-O 3.46Å; K173-S218 VanDerWaalsContact CA-O 3.27Å; K173-S218 WeakPolarHBondContact CA-O 3.33Å |
| 174 | F | 86.9 | Confident | 74.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.3 | 179.9 | -60.2 | -78.3 | 0 | 0 | 0 | 109.7 | Y148 F150 V166 I172 F211 K214 S218 F219 R220 | Y148-F174 AromaticContact CD1-CD1 3.95Å; Y148-F174 HydrophobicContact CD1-CD1 3.95Å; Y148-F174 HydrophobicContact CD1-CE1 4.3Å; Y148-F174 HydrophobicContact CG-CD1 4.42Å; Y148-F174 CarbonylContact O-C 3.6Å; Y148-F174 WeakPolarHBondContact O-CA 3.41Å; F150-F174 HydrophobicContact CD1-CB 4.44Å; F150-F174 HydrophobicContact CE1-CB 3.91Å; V166-F174 HydrophobicContact CB-CE1 4.48Å; V166-F174 HydrophobicContact CG2-CE1 4.14Å; I172-F174 HydrophobicContact CB-CZ 4.33Å; I172-F174 HydrophobicContact CG2-CD1 4.35Å; I172-F174 HydrophobicContact CG2-CE1 3.91Å; I172-F174 HydrophobicContact CG2-CE2 4.25Å; I172-F174 HydrophobicContact CG2-CZ 3.86Å; F174-F211 HydrophobicContact CB-CE1 4.49Å; F174-F211 AromaticContact CD1-CD1 3.46Å; F174-F211 HydrophobicContact CD1-CD1 3.46Å; F174-F211 VanDerWaalsContact CD1-CD1 3.46Å; F174-F211 AromaticContact CD1-CE1 3.63Å; F174-F211 HydrophobicContact CD1-CE1 3.63Å; F174-F211 HydrophobicContact CD2-CD1 4.15Å; F174-F211 AromaticContact CE1-CD1 3.54Å; F174-F211 HydrophobicContact CE1-CD1 3.54Å; F174-F211 HydrophobicContact CE1-CE1 4.05Å; F174-F211 HydrophobicContact CE2-CB 4.35Å; F174-F211 HydrophobicContact CE2-CD1 4.21Å; F174-F211 AromaticContact CG-CD1 3.78Å; F174-F211 HydrophobicContact CG-CD1 3.78Å; F174-F211 HydrophobicContact CG-CE1 4.09Å; F174-F211 HydrophobicContact CZ-CB 4.47Å; F174-F211 AromaticContact CZ-CD1 3.91Å; F174-F211 HydrophobicContact CZ-CD1 3.91Å; F174-K214 HydrophobicContact CE2-CD 4.32Å; F174-K214 HydrophobicContact CE2-CG 4.08Å; F174-S218 PolarHBondContact N-O 2.84Å; F174-F219 HydrophobicContact CB-CD1 3.79Å; F174-F219 HydrophobicContact CB-CE1 4.04Å; F174-F219 HydrophobicContact CD2-CD1 4.32Å; F174-F219 AromaticContact CD2-CE1 3.94Å; F174-F219 HydrophobicContact CD2-CE1 3.94Å; F174-F219 HydrophobicContact CD2-CZ 4.35Å; F174-F219 HydrophobicContact CG-CD1 4.41Å; F174-F219 HydrophobicContact CG-CE1 4.19Å; F174-F219 CarbonylContact O-C 3.59Å; F174-F219 WeakPolarHBondContact O-CA 3.23Å; F174-R220 PolarHBondContact O-N 3.31Å |
| 175 | I | 86.9 | Confident | 72.4 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 109.1 | -179.7 | -54.6 | -176.5 | 0 | 0 | 0 | 108.6 | L91 F127 F147 Y148 G149 F150 R220 L222 M254 | L91-I175 HydrophobicContact CD2-CD1 4.14Å; F127-I175 HydrophobicContact CE1-CD1 4.38Å; F147-I175 HydrophobicContact CB-CD1 4Å; F147-I175 HydrophobicContact CB-CG1 4.47Å; F147-I175 HydrophobicContact CD1-CD1 3.77Å; F147-I175 HydrophobicContact CD1-CG1 4.13Å; F147-I175 HydrophobicContact CG-CD1 4.11Å; Y148-I175 PolarHBondContact O-N 3.48Å; G149-I175 WeakPolarHBondContact CA-O 3.15Å; F150-I175 WeakPolarHBondContact CD1-O 3.29Å; F150-I175 PolarHBondContact N-O 3.09Å; I175-R220 HydrophobicContact CG1-CB 4.29Å; I175-L222 HydrophobicContact CG2-CD2 3.76Å; I175-L222 HydrophobicContact CG2-CG 3.83Å; I175-M254 HydrophobicContact CB-SD 4.39Å; I175-M254 HydrophobicContact CD1-CE 4.23Å; I175-M254 HydrophobicContact CD1-SD 4.41Å; I175-M254 HydrophobicContact CG2-SD 4.44Å |
| 176 | F | 82.4 | Confident | 69.9 | Low | 48 Ų | 48 | 57.4 Ų | 57.4 | 21% | 0.211 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 127.9 | 173.8 | 178.8 | -121.8 | 0 | 0 | 0 | 110.9 | F150 T152 P178 R220 M221 L222 | F150-F176 HydrophobicContact CD2-CD2 4.3Å; F150-F176 HydrophobicContact CE1-CB 4.11Å; F150-F176 AromaticContact CE2-CD2 3.74Å; F150-F176 HydrophobicContact CE2-CD2 3.74Å; F150-F176 HydrophobicContact CE2-CE2 4.5Å; F150-F176 HydrophobicContact CZ-CB 3.92Å; F150-F176 AromaticContact CZ-CD2 3.93Å; F150-F176 HydrophobicContact CZ-CD2 3.93Å; F150-F176 HydrophobicContact CZ-CG 4.35Å; T152-F176 HydrophobicContact CG2-CE2 3.81Å; F176-P178 HydrophobicContact CE1-CB 4.09Å; F176-R220 PolarHBondContact N-O 3.08Å; F176-M221 HydrophobicContact CD1-CE 4.05Å; F176-M221 HydrophobicContact CD1-CG 3.98Å; F176-M221 HydrophobicContact CD1-SD 4.23Å; F176-M221 HydrophobicContact CE1-CE 4.03Å; F176-M221 WeakPolarHBondContact O-CA 3.35Å; F176-L222 PolarHBondContact O-N 3.39Å |
| 177 | I | 80.8 | Confident | 67.2 | Low | 7 Ų | 7 | 68 Ų | 68 | 4% | 0.036 | 31% | 0.31 | C | S | . | . | trans | -101.6 | 111.9 | 173.7 | -56.8 | 161.1 | 0 | 0 | 0 | 107.1 | F150 T151 S179 L222 I227 M250 T253 M254 | F150-I177 PolarHBondContact O-N 2.74Å; T151-I177 HydrophobicContact CG2-CB 4Å; T151-I177 HydrophobicContact CG2-CD1 4.48Å; T151-I177 HydrophobicContact CG2-CG2 4.26Å; I177-S179 PolarHBondContact O-N 3.14Å; I177-L222 HydrophobicContact CG1-CD1 3.9Å; I177-L222 HydrophobicContact CG1-CG 4.44Å; I177-L222 HydrophobicContact CG2-CD1 4.44Å; I177-I227 HydrophobicContact CG2-CD1 4.45Å; I177-M250 HydrophobicContact CG2-CE 4.19Å; I177-M250 HydrophobicContact CG2-SD 3.82Å; I177-T253 WeakPolarHBondContact CD1-OG1 3.3Å; I177-T253 HydrophobicContact CG2-CG2 4.41Å; I177-M254 HydrophobicContact CD1-CG 4.28Å | ||
| 178 | P | 72.7 | Confident | 64.5 | Low | 18 Ų | 18 | 70.3 Ų | 70.3 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | trans | -72.4 | 75 | -177.9 | 27.1 | -33.1 | 0 | 0 | 0 | 111.5 | P57 F176 M221 P224 I227 | P57-P178 WeakPolarHBondContact CA-O 3.24Å; P57-P178 WeakPolarHBondContact CB-O 3.47Å; F176-P178 HydrophobicContact CE1-CB 4.09Å; P178-M221 HydrophobicContact CB-CE 3.53Å; P178-M221 HydrophobicContact CG-CE 3.76Å; P178-P224 HydrophobicContact CG-CG 4.44Å; P178-I227 HydrophobicContact CG-CD1 3.8Å | ||
| 179 | S | 64.2 | Low | 61.7 | Low | 10 Ų | 10 | 76.5 Ų | 76.5 | 7% | 0.07 | 36% | 0.356 | C | S | . | . | trans | -86.7 | -26.9 | -164.8 | 60.3 | 0 | 0 | 0 | 0 | 117.3 | P57 T151 I177 | P57-S179 WeakPolarHBondContact CD-O 3.33Å; T151-S179 VanDerWaalsContact CB-OG 3.26Å; T151-S179 WeakPolarHBondContact CB-OG 3.38Å; T151-S179 VanDerWaalsContact CG2-OG 3.23Å; T151-S179 WeakPolarHBondContact CG2-OG 3.25Å; I177-S179 PolarHBondContact O-N 3.14Å | ||
| 180 | E | 60.1 | Low | 59.1 | Low | 71 Ų | 71 | 83.3 Ų | 83.3 | 33% | 0.332 | 39% | 0.388 | S | S | . | . | trans | -143.5 | 140.4 | -163.4 | -76.2 | -166.4 | -143.7 | 0 | 0 | 116.3 | ||||
| 181 | T | 46.3 | Very low | 56.7 | Low | 11 Ų | 11 | 82.3 Ų | 82.3 | 7% | 0.067 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -90.8 | -13.9 | 165.5 | 10.6 | 0 | 0 | 0 | 0 | 113.8 | P56 K61 C183 W184 | P56-T181 VanDerWaalsContact CD-OG1 3.28Å; P56-T181 WeakPolarHBondContact CD-OG1 3.35Å; P56-T181 HydrophobicContact CG-CG2 3.46Å; P56-T181 VanDerWaalsContact CG-CG2 3.46Å; K61-T181 WeakPolarHBondContact O-CG2 3.34Å; T181-C183 PolarHBondContact O-N 3.27Å; T181-W184 WeakPolarHBondContact O-CB 3.36Å; T181-W184 PolarHBondContact O-N 3.32Å |
| 182 | R | 42.7 | Very low | 54.1 | Low | 166 Ų | 166 | 83.3 Ų | 83.3 | 63% | 0.626 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -19 | -167.1 | -77.9 | -174.7 | 170.2 | -155.6 | -0.8 | 113.4 | W184 | R182-W184 PolarHBondContact O-N 2.64Š|
| 183 | C | 39 | Very low | 51.3 | Low | 37 Ų | 37 | 90.4 Ų | 90.4 | 25% | 0.25 | 44% | 0.435 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -18.2 | 169 | -71.9 | 0 | 0 | 0 | 0 | 114.3 | T181 S198 L200 | T181-C183 PolarHBondContact O-N 3.27Å; C183-S198 WeakPolarHBondContact CB-OG 3.46Å; C183-L200 HydrophobicContact CB-CB 3.88Å; C183-L200 HydrophobicContact CB-CD2 4.05Å; C183-L200 WeakPolarHBondContact SG-CB 3.36Å |
| 184 | W | 35.6 | Very low | 48.6 | Very low | 61 Ų | 61 | 94.7 Ų | 94.7 | 23% | 0.231 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -23.3 | -174.6 | -54.1 | 113.2 | 0 | 0 | 0 | 113.9 | G62 L63 P64 V67 T181 R182 R186 L200 | G62-W184 WeakPolarHBondContact O-CB 3.35Å; L63-W184 HydrophobicContact CD2-CD2 4.48Å; L63-W184 VanDerWaalsContact CD2-CE2 3.47Å; L63-W184 HydrophobicContact CD2-CZ2 3.55Å; P64-W184 HydrophobicContact CG-CE3 4.11Å; P64-W184 HydrophobicContact CG-CH2 4.28Å; P64-W184 HydrophobicContact CG-CZ3 3.8Å; V67-W184 HydrophobicContact CG2-CH2 4.27Å; T181-W184 WeakPolarHBondContact O-CB 3.36Å; T181-W184 PolarHBondContact O-N 3.32Å; R182-W184 PolarHBondContact O-N 2.64Å; W184-R186 PolarHBondContact O-N 3.2Å; W184-R186 VanDerWaalsContact O-N 3.11Å; W184-L200 HydrophobicContact CZ2-CD2 3.52Å |
| 185 | R | 32.3 | Very low | 46.2 | Very low | 144 Ų | 144 | 101.3 Ų | 101.3 | 54% | 0.543 | 50% | 0.497 | S | S | . | . | trans | -90.8 | 69.5 | -172.6 | -145.8 | -172.3 | -61.2 | 159.3 | 0.1 | 111.4 | R187 D247 | R185-R187 PolarHBondContact O-N 3.01Å; R185-D247 IonicContact NH1-OD2 3.92Å; R185-D247 IonicContact NH2-OD2 3.86Å | ||
| 186 | R | 30.8 | Very low | 43.8 | Very low | 186 Ų | 186 | 108.7 Ų | 108.7 | 70% | 0.702 | 53% | 0.531 | S | S | * | . | trans | -67.2 | 86.9 | 152.5 | 176.8 | 166.8 | 140.9 | 152.1 | -6.6 | 107.4 | W184 G188 | W184-R186 PolarHBondContact O-N 3.2Å; W184-R186 VanDerWaalsContact O-N 3.11Å; R186-G188 PolarHBondContact O-N 3.09Å | ||
| 187 | R | 30.2 | Very low | 41.9 | Very low | 230 Ų | 230 | 109.1 Ų | 109.1 | 87% | 0.868 | 54% | 0.54 | S | S | * | . | trans | -83.8 | 107.6 | 157.4 | -151.9 | 175.9 | -170.6 | -177.2 | 1.6 | 105.5 | R185 R189 | R185-R187 PolarHBondContact O-N 3.01Å; R187-R189 PolarHBondContact O-N 3.5Å; R187-R189 VanDerWaalsContact O-N 3.15Å | ||
| 188 | G | 34.2 | Very low | 40.3 | Very low | 68 Ų | 68 | 109.9 Ų | 109.9 | 70% | 0.701 | 55% | 0.546 | S | S | * | . | trans | -46.3 | 120.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R186 | R186-G188 PolarHBondContact O-N 3.09Š| ||
| 189 | R | 29.7 | Very low | 39 | Very low | 233 Ų | 233 | 110.9 Ų | 110.9 | 88% | 0.879 | 56% | 0.56 | S | S | * | * | trans | -128.3 | 106.6 | 160.2 | -135.2 | 179.7 | 177.8 | 172.6 | -1.7 | 106.5 | R187 | R187-R189 PolarHBondContact O-N 3.5Å; R187-R189 VanDerWaalsContact O-N 3.15Å | ||
| 190 | L | 34.7 | Very low | 38.1 | Very low | 160 Ų | 160 | 111 Ų | 111 | 84% | 0.838 | 56% | 0.559 | S | S | * | * | S | Bend | trans | 41.9 | 102.4 | 168.7 | -76.7 | 86.2 | 0 | 0 | 0 | 117.9 | Q192 | L190-Q192 PolarHBondContact O-N 3.05Š|
| 191 | G | 34.4 | Very low | 37.4 | Very low | 86 Ų | 86 | 110.2 Ų | 110.2 | 89% | 0.887 | 56% | 0.557 | S | S | * | * | S | Bend | 80.4 | 17.4 | 126.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||
| 192 | Q | 32.5 | Very low | 37.5 | Very low | 154 Ų | 154 | 114.2 Ų | 114.2 | 72% | 0.72 | 57% | 0.574 | S | S | * | * | trans | -127.8 | 121.6 | 169.6 | -69.4 | -172.3 | -0.3 | 0 | 0 | 112.5 | L190 E194 | L190-Q192 PolarHBondContact O-N 3.05Å; Q192-E194 PolarHBondContact O-N 3Å; Q192-E194 VanDerWaalsContact O-N 3.13Å | ||
| 193 | N | 31.6 | Very low | 38 | Very low | 157 Ų | 157 | 106.6 Ų | 106.6 | 84% | 0.84 | 55% | 0.546 | S | S | * | . | trans | -80.5 | 62.6 | 172.9 | -95.2 | -10.1 | 0 | 0 | 0 | 110.2 | ||||
| 194 | E | 33.4 | Very low | 38.6 | Very low | 141 Ų | 141 | 107.4 Ų | 107.4 | 66% | 0.659 | 55% | 0.548 | S | S | * | . | trans | -110.5 | 104.2 | 166.3 | -72.7 | -169.8 | 166.1 | 0 | 0 | 109.6 | Q192 E196 | Q192-E194 PolarHBondContact O-N 3Å; Q192-E194 VanDerWaalsContact O-N 3.13Å; E194-E196 PolarHBondContact O-N 2.99Å | ||
| 195 | T | 35.3 | Very low | 39.3 | Very low | 139 Ų | 139 | 113 Ų | 113 | 85% | 0.853 | 57% | 0.57 | S | S | * | * | trans | -74.5 | 68.9 | 163.4 | 42.8 | 0 | 0 | 0 | 0 | 108.9 | S197 | T195-S197 PolarHBondContact O-N 3.33Š| ||
| 196 | E | 37.1 | Very low | 40.8 | Very low | 155 Ų | 155 | 109.8 Ų | 109.8 | 72% | 0.724 | 56% | 0.56 | S | S | * | * | trans | -80.9 | 108.3 | 165.2 | -115.4 | -165 | 152.1 | 0 | 0 | 108.4 | E194 S198 | E194-E196 PolarHBondContact O-N 2.99Å; E196-S198 PolarHBondContact O-N 3.33Å | ||
| 197 | S | 41.6 | Very low | 42.5 | Very low | 58 Ų | 58 | 103 Ų | 103 | 41% | 0.406 | 54% | 0.54 | S | S | . | . | trans | -51.6 | 128.5 | 173.8 | 62.8 | 0 | 0 | 0 | 0 | 109.6 | T195 K202 | T195-S197 PolarHBondContact O-N 3.33Å; S197-K202 WeakPolarHBondContact OG-CE 3.49Å | ||
| 198 | S | 47.5 | Very low | 44.4 | Very low | 22 Ų | 22 | 98 Ų | 98 | 15% | 0.154 | 52% | 0.521 | C | S | . | . | trans | -58.8 | 158.3 | -179.1 | 71.1 | 0 | 0 | 0 | 0 | 111.6 | C183 E196 L200 D201 K202 | C183-S198 WeakPolarHBondContact CB-OG 3.46Å; E196-S198 PolarHBondContact O-N 3.33Å; S198-L200 PolarHBondContact O-N 2.89Å; S198-L200 VanDerWaalsContact O-N 3.12Å; S198-D201 WeakPolarHBondContact CB-OD2 3.37Å; S198-D201 PolarHBondContact N-OD2 3.37Å; S198-D201 WeakPolarHBondContact O-CA 3.19Å; S198-D201 WeakPolarHBondContact O-CB 3.03Å; S198-D201 PolarHBondContact O-N 2.97Å; S198-D201 PolarHBondContact OG-N 3.27Å; S198-D201 PolarHBondContact OG-OD2 3.32Å; S198-K202 PolarHBondContact O-N 2.56Å | ||
| 199 | G | 45.2 | Very low | 46.4 | Very low | 39 Ų | 39 | 101.6 Ų | 101.6 | 40% | 0.402 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -56.6 | -28.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K202 V203 | G199-K202 PolarHBondContact O-N 2.98Å; G199-V203 WeakPolarHBondContact O-CG2 3.42Å; G199-V203 PolarHBondContact O-N 3.02Å |
| 200 | L | 45.3 | Very low | 48.7 | Very low | 13 Ų | 13 | 93 Ų | 93 | 7% | 0.068 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -68.3 | -41.1 | 172.2 | -177 | 65.9 | 0 | 0 | 0 | 112 | T152 C183 W184 S198 K202 V203 L204 | T152-L200 HydrophobicContact CG2-CD1 3.25Å; T152-L200 WeakPolarHBondContact OG1-CD1 3.2Å; C183-L200 HydrophobicContact CB-CB 3.88Å; C183-L200 HydrophobicContact CB-CD2 4.05Å; C183-L200 WeakPolarHBondContact SG-CB 3.36Å; W184-L200 HydrophobicContact CZ2-CD2 3.52Å; S198-L200 PolarHBondContact O-N 2.89Å; S198-L200 VanDerWaalsContact O-N 3.12Å; L200-K202 VanDerWaalsContact C-N 3.29Å; L200-K202 PolarHBondContact O-N 3.46Å; L200-V203 PolarHBondContact O-N 3.16Å; L200-L204 HydrophobicContact CD1-CD1 3.62Å; L200-L204 HydrophobicContact CD1-CD2 4.49Å; L200-L204 HydrophobicContact CD1-CG 3.82Å; L200-L204 HydrophobicContact CD2-CD1 4.28Å; L200-L204 HydrophobicContact CG-CD1 3.63Å; L200-L204 HydrophobicContact CG-CG 4.14Å; L200-L204 VanDerWaalsContact O-CB 3.3Å; L200-L204 WeakPolarHBondContact O-CB 3.43Å; L200-L204 WeakPolarHBondContact O-CG 3.27Å; L200-L204 PolarHBondContact O-N 3.13Å |
| 201 | D | 45.8 | Very low | 50.9 | Low | 54 Ų | 54 | 85.5 Ų | 85.5 | 29% | 0.289 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.5 | -61.4 | -41.9 | 0 | 0 | 0 | 110.9 | S198 Y205 | S198-D201 WeakPolarHBondContact CB-OD2 3.37Å; S198-D201 PolarHBondContact N-OD2 3.37Å; S198-D201 WeakPolarHBondContact O-CA 3.19Å; S198-D201 WeakPolarHBondContact O-CB 3.03Å; S198-D201 PolarHBondContact O-N 2.97Å; S198-D201 PolarHBondContact OG-N 3.27Å; S198-D201 PolarHBondContact OG-OD2 3.32Å; D201-Y205 WeakPolarHBondContact O-CA 3.45Å; D201-Y205 WeakPolarHBondContact O-CB 3.43Å; D201-Y205 PolarHBondContact O-N 2.94Å |
| 202 | K | 49.6 | Very low | 53.2 | Low | 96 Ų | 96 | 82.7 Ų | 82.7 | 42% | 0.417 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67 | -39.7 | 178.6 | -66 | 179.9 | -175.8 | 174 | 0 | 112.8 | S197 S198 G199 L200 K206 | S197-K202 WeakPolarHBondContact OG-CE 3.49Å; S198-K202 PolarHBondContact O-N 2.56Å; G199-K202 PolarHBondContact O-N 2.98Å; L200-K202 VanDerWaalsContact C-N 3.29Å; L200-K202 PolarHBondContact O-N 3.46Å; K202-K206 PolarHBondContact O-N 3.39Å |
| 203 | V | 51.9 | Low | 55.6 | Low | 5 Ų | 5 | 83.8 Ų | 83.8 | 3% | 0.03 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -76.8 | -42.9 | 179.1 | 176.7 | 0 | 0 | 0 | 0 | 111.7 | T152 G199 L200 K206 P207 Y210 F211 | T152-V203 HydrophobicContact CG2-CB 4.13Å; T152-V203 HydrophobicContact CG2-CG1 4.06Å; G199-V203 WeakPolarHBondContact O-CG2 3.42Å; G199-V203 PolarHBondContact O-N 3.02Å; L200-V203 PolarHBondContact O-N 3.16Å; V203-K206 CarbonylContact O-C 3.49Å; V203-P207 VanDerWaalsContact O-CA 3.22Å; V203-P207 WeakPolarHBondContact O-CA 3.28Å; V203-P207 WeakPolarHBondContact O-CD 3.45Å; V203-P207 VanDerWaalsContact O-N 3.07Å; V203-Y210 HydrophobicContact CB-CD2 4.45Å; V203-Y210 HydrophobicContact CB-CE2 4.26Å; V203-Y210 HydrophobicContact CG1-CD2 4.39Å; V203-Y210 HydrophobicContact CG2-CD2 4.11Å; V203-Y210 HydrophobicContact CG2-CE1 4.23Å; V203-Y210 HydrophobicContact CG2-CE2 3.69Å; V203-F211 HydrophobicContact CG1-CE2 4.08Å |
| 204 | L | 51.9 | Low | 58 | Low | 55 Ų | 55 | 78.6 Ų | 78.6 | 29% | 0.288 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -74 | -31.9 | 179.8 | -67.6 | -178.8 | 0 | 0 | 0 | 112.8 | L200 P207 | L200-L204 HydrophobicContact CD1-CD1 3.62Å; L200-L204 HydrophobicContact CD1-CD2 4.49Å; L200-L204 HydrophobicContact CD1-CG 3.82Å; L200-L204 HydrophobicContact CD2-CD1 4.28Å; L200-L204 HydrophobicContact CG-CD1 3.63Å; L200-L204 HydrophobicContact CG-CG 4.14Å; L200-L204 VanDerWaalsContact O-CB 3.3Å; L200-L204 WeakPolarHBondContact O-CB 3.43Å; L200-L204 WeakPolarHBondContact O-CG 3.27Å; L200-L204 PolarHBondContact O-N 3.13Å; L204-P207 WeakPolarHBondContact O-CD 3.25Å |
| 205 | Y | 50.5 | Low | 60.1 | Low | 179 Ų | 179 | 74.5 Ų | 74.5 | 70% | 0.702 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -80.2 | -26.9 | 178.6 | -168.9 | -107.3 | 0 | 0 | 0 | 112.6 | D201 W208 | D201-Y205 WeakPolarHBondContact O-CA 3.45Å; D201-Y205 WeakPolarHBondContact O-CB 3.43Å; D201-Y205 PolarHBondContact O-N 2.94Å; Y205-W208 VanDerWaalsContact O-CH2 3.3Å; Y205-W208 WeakPolarHBondContact O-CH2 3.39Å; Y205-W208 WeakPolarHBondContact O-CZ3 3.22Å |
| 206 | K | 64.1 | Low | 61.9 | Low | 76 Ų | 76 | 70.4 Ų | 70.4 | 33% | 0.33 | 35% | 0.353 | S | S | . | . | trans | -136.8 | 60 | 178.4 | -55.5 | -169 | 178.6 | 179.8 | 0 | 113.1 | K202 V203 W208 K209 | K202-K206 PolarHBondContact O-N 3.39Å; V203-K206 CarbonylContact O-C 3.49Å; K206-W208 HydrophobicContact CB-CD2 4.36Å; K206-W208 HydrophobicContact CB-CH2 3.99Å; K206-W208 HydrophobicContact CB-CZ2 3.77Å; K206-W208 HydrophobicContact CB-CZ3 4.37Å; K206-W208 HydrophobicContact CD-CZ2 3.96Å; K206-W208 HydrophobicContact CG-CH2 3.72Å; K206-W208 HydrophobicContact CG-CZ2 3.57Å; K206-W208 HydrophobicContact CG-CZ3 4.5Å; K206-W208 PolarHBondContact O-N 3.45Å; K206-K209 HydrophobicContact CB-CD 3.96Å; K206-K209 HydrophobicContact CB-CG 4.01Å; K206-K209 HydrophobicContact CD-CD 4.07Å; K206-K209 WeakPolarHBondContact O-CB 3.17Å; K206-K209 PolarHBondContact O-N 3.06Å | ||
| 207 | P | 66.8 | Low | 63.8 | Low | 44 Ų | 44 | 66.8 Ų | 66.8 | 29% | 0.286 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -31 | -177 | 22.1 | -32.8 | 0 | 0 | 0 | 112.7 | V203 L204 K209 Y210 F211 | V203-P207 VanDerWaalsContact O-CA 3.22Å; V203-P207 WeakPolarHBondContact O-CA 3.28Å; V203-P207 WeakPolarHBondContact O-CD 3.45Å; V203-P207 VanDerWaalsContact O-N 3.07Å; L204-P207 WeakPolarHBondContact O-CD 3.25Å; P207-K209 PolarHBondContact O-N 3.47Å; P207-Y210 PolarHBondContact O-N 2.95Å; P207-F211 HydrophobicContact CB-CD2 4.25Å; P207-F211 WeakPolarHBondContact O-CD2 3.44Å; P207-F211 PolarHBondContact O-N 2.9Å |
| 208 | W | 70.3 | Confident | 65.7 | Low | 125 Ų | 125 | 64.1 Ų | 64.1 | 47% | 0.473 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.4 | -23.4 | 177 | 63.8 | 90.4 | 0 | 0 | 0 | 113.9 | Y205 K206 Y210 G212 | Y205-W208 VanDerWaalsContact O-CH2 3.3Å; Y205-W208 WeakPolarHBondContact O-CH2 3.39Å; Y205-W208 WeakPolarHBondContact O-CZ3 3.22Å; K206-W208 HydrophobicContact CB-CD2 4.36Å; K206-W208 HydrophobicContact CB-CH2 3.99Å; K206-W208 HydrophobicContact CB-CZ2 3.77Å; K206-W208 HydrophobicContact CB-CZ3 4.37Å; K206-W208 HydrophobicContact CD-CZ2 3.96Å; K206-W208 HydrophobicContact CG-CH2 3.72Å; K206-W208 HydrophobicContact CG-CZ2 3.57Å; K206-W208 HydrophobicContact CG-CZ3 4.5Å; K206-W208 PolarHBondContact O-N 3.45Å; W208-Y210 PolarHBondContact O-N 2.92Å; W208-G212 WeakPolarHBondContact CA-O 3.23Å; W208-G212 WeakPolarHBondContact O-CA 3.25Å; W208-G212 PolarHBondContact O-N 2.99Å |
| 209 | K | 75.3 | Confident | 67.2 | Low | 143 Ų | 143 | 64.8 Ų | 64.8 | 62% | 0.622 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -67.8 | -25 | 174.2 | -74.6 | -171.2 | 168.5 | -166.4 | 0 | 113.2 | K206 P207 | K206-K209 HydrophobicContact CB-CD 3.96Å; K206-K209 HydrophobicContact CB-CG 4.01Å; K206-K209 HydrophobicContact CD-CD 4.07Å; K206-K209 WeakPolarHBondContact O-CB 3.17Å; K206-K209 PolarHBondContact O-N 3.06Å; P207-K209 PolarHBondContact O-N 3.47Å |
| 210 | Y | 77.9 | Confident | 68.9 | Low | 52 Ų | 52 | 65.2 Ų | 65.2 | 20% | 0.204 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -103.9 | -50.1 | -177.9 | -62.4 | -89.7 | 0 | 0 | 0 | 110.1 | L155 V166 Q168 V203 P207 W208 | L155-Y210 HydrophobicContact CB-CD1 4.42Å; L155-Y210 HydrophobicContact CD1-CD1 4.07Å; L155-Y210 HydrophobicContact CD1-CG 4.43Å; V166-Y210 WeakPolarHBondContact CG2-O 3.06Å; Q168-Y210 PolarHBondContact NE2-O 3.49Å; Q168-Y210 VanDerWaalsContact NE2-O 3.09Å; V203-Y210 HydrophobicContact CB-CD2 4.45Å; V203-Y210 HydrophobicContact CB-CE2 4.26Å; V203-Y210 HydrophobicContact CG1-CD2 4.39Å; V203-Y210 HydrophobicContact CG2-CD2 4.11Å; V203-Y210 HydrophobicContact CG2-CE1 4.23Å; V203-Y210 HydrophobicContact CG2-CE2 3.69Å; P207-Y210 PolarHBondContact O-N 2.95Å; W208-Y210 PolarHBondContact O-N 2.92Å |
| 211 | F | 81.3 | Confident | 70.6 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 1% | 0.013 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -100.6 | -4.4 | -170.2 | -54.2 | -71.2 | 0 | 0 | 0 | 113.8 | F150 L155 V166 Q168 F174 V203 P207 K214 F219 | F150-F211 HydrophobicContact CD1-CE1 4.23Å; F150-F211 HydrophobicContact CD1-CZ 4.13Å; F150-F211 AromaticContact CD2-CZ 3.88Å; F150-F211 HydrophobicContact CD2-CZ 3.88Å; F150-F211 HydrophobicContact CE1-CE1 4.12Å; F150-F211 AromaticContact CE1-CZ 3.83Å; F150-F211 HydrophobicContact CE1-CZ 3.83Å; F150-F211 HydrophobicContact CE2-CE2 4.14Å; F150-F211 AromaticContact CE2-CZ 3.54Å; F150-F211 HydrophobicContact CE2-CZ 3.54Å; F150-F211 HydrophobicContact CG-CE1 4.49Å; F150-F211 HydrophobicContact CG-CZ 4.16Å; F150-F211 HydrophobicContact CZ-CE1 4.25Å; F150-F211 HydrophobicContact CZ-CE2 4.08Å; F150-F211 AromaticContact CZ-CZ 3.51Å; F150-F211 HydrophobicContact CZ-CZ 3.51Å; L155-F211 HydrophobicContact CD1-CZ 3.89Å; V166-F211 HydrophobicContact CB-CE1 4.48Å; V166-F211 HydrophobicContact CG1-CE1 4.14Å; V166-F211 HydrophobicContact CG2-CD1 3.74Å; V166-F211 HydrophobicContact CG2-CE1 4.09Å; Q168-F211 PolarHBondContact OE1-O 3.22Å; Q168-F211 VanDerWaalsContact OE1-O 3.05Å; F174-F211 HydrophobicContact CB-CE1 4.49Å; F174-F211 AromaticContact CD1-CD1 3.46Å; F174-F211 HydrophobicContact CD1-CD1 3.46Å; F174-F211 VanDerWaalsContact CD1-CD1 3.46Å; F174-F211 AromaticContact CD1-CE1 3.63Å; F174-F211 HydrophobicContact CD1-CE1 3.63Å; F174-F211 HydrophobicContact CD2-CD1 4.15Å; F174-F211 AromaticContact CE1-CD1 3.54Å; F174-F211 HydrophobicContact CE1-CD1 3.54Å; F174-F211 HydrophobicContact CE1-CE1 4.05Å; F174-F211 HydrophobicContact CE2-CB 4.35Å; F174-F211 HydrophobicContact CE2-CD1 4.21Å; F174-F211 AromaticContact CG-CD1 3.78Å; F174-F211 HydrophobicContact CG-CD1 3.78Å; F174-F211 HydrophobicContact CG-CE1 4.09Å; F174-F211 HydrophobicContact CZ-CB 4.47Å; F174-F211 AromaticContact CZ-CD1 3.91Å; F174-F211 HydrophobicContact CZ-CD1 3.91Å; V203-F211 HydrophobicContact CG1-CE2 4.08Å; P207-F211 HydrophobicContact CB-CD2 4.25Å; P207-F211 WeakPolarHBondContact O-CD2 3.44Å; P207-F211 PolarHBondContact O-N 2.9Å; F211-K214 HydrophobicContact CB-CG 4.39Å; F211-K214 VanDerWaalsContact O-CE 3.29Å; F211-K214 WeakPolarHBondContact O-CE 3.39Å; F211-K214 WeakPolarHBondContact O-CG 3.41Å; F211-F219 HydrophobicContact CB-CE1 4.12Å; F211-F219 HydrophobicContact CB-CZ 3.94Å; F211-F219 HydrophobicContact CD1-CE1 4.32Å; F211-F219 AromaticContact CD2-CE1 3.86Å; F211-F219 HydrophobicContact CD2-CE1 3.86Å; F211-F219 HydrophobicContact CD2-CZ 4.29Å; F211-F219 HydrophobicContact CE2-CE1 4.39Å; F211-F219 AromaticContact CG-CE1 3.82Å; F211-F219 HydrophobicContact CG-CE1 3.82Å; F211-F219 HydrophobicContact CG-CZ 4.15Å |
| 212 | G | 83.1 | Confident | 72.4 | Confident | 27 Ų | 27 | 62.3 Ų | 62.3 | 28% | 0.278 | 29% | 0.292 | S | S | . | . | trans | 70 | -173.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | W208 K214 | W208-G212 WeakPolarHBondContact CA-O 3.23Å; W208-G212 WeakPolarHBondContact O-CA 3.25Å; W208-G212 PolarHBondContact O-N 2.99Å; G212-K214 PolarHBondContact O-N 2.79Å | ||
| 213 | H | 82.4 | Confident | 73.9 | Confident | 177 Ų | 177 | 58.3 Ų | 58.3 | 82% | 0.819 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -76.1 | 92.2 | 174 | -68.2 | -80.7 | 0 | 0 | 0 | 109.6 | ||
| 214 | K | 80.8 | Confident | 75.2 | Confident | 48 Ų | 48 | 58.1 Ų | 58.1 | 21% | 0.209 | 27% | 0.273 | C | S | . | . | trans | -110.6 | 141.3 | 178.1 | -63.9 | -69.4 | 175.6 | -169.3 | 0 | 110.3 | G169 F174 F211 G212 F219 | G169-K214 PolarHBondContact O-NZ 3.13Å; F174-K214 HydrophobicContact CE2-CD 4.32Å; F174-K214 HydrophobicContact CE2-CG 4.08Å; F211-K214 HydrophobicContact CB-CG 4.39Å; F211-K214 VanDerWaalsContact O-CE 3.29Å; F211-K214 WeakPolarHBondContact O-CE 3.39Å; F211-K214 WeakPolarHBondContact O-CG 3.41Å; G212-K214 PolarHBondContact O-N 2.79Å; K214-F219 HydrophobicContact CB-CE2 3.7Å; K214-F219 HydrophobicContact CB-CZ 3.89Å | ||
| 215 | P | 78.7 | Confident | 76.5 | Confident | 54 Ų | 54 | 60 Ų | 60 | 35% | 0.351 | 28% | 0.281 | S | S | . | . | trans | -73.8 | 155.9 | 175.9 | 36.4 | -40.1 | 0 | 0 | 0 | 110.4 | E217 S218 | P215-E217 VanDerWaalsContact CB-CD 3.42Å; P215-E217 HydrophobicContact CB-CG 4.43Å; P215-E217 WeakPolarHBondContact CB-OE1 3.44Å; P215-E217 HydrophobicContact CG-CG 4.14Å; P215-E217 WeakPolarHBondContact CG-OE1 3.47Å; P215-E217 PolarHBondContact O-N 2.56Å; P215-E217 VanDerWaalsContact O-N 3.12Å; P215-S218 WeakPolarHBondContact CD-OG 3.06Å; P215-S218 VanDerWaalsContact O-CB 3.26Å; P215-S218 WeakPolarHBondContact O-CB 3.33Å; P215-S218 PolarHBondContact O-N 3.31Å; P215-S218 PolarHBondContact O-OG 2.92Å | ||
| 216 | P | 72.8 | Confident | 78.3 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 35% | 0.351 | 25% | 0.248 | S | C | . | . | G | 310 helix | trans | -53 | -35.2 | -175 | -28.1 | 36.1 | 0 | 0 | 0 | 114.3 | S218 F219 | P216-S218 PolarHBondContact O-N 3.01Å; P216-F219 PolarHBondContact O-N 3.27Å |
| 217 | E | 76.8 | Confident | 79.3 | Confident | 79 Ų | 79 | 48 Ų | 48 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -66.9 | -3.1 | 176.4 | 65.2 | -87.5 | -167.4 | 0 | 0 | 114.7 | K173 P215 F219 R220 | K173-E217 PolarHBondContact NZ-O 3.01Å; K173-E217 VanDerWaalsContact NZ-O 3.15Å; P215-E217 VanDerWaalsContact CB-CD 3.42Å; P215-E217 HydrophobicContact CB-CG 4.43Å; P215-E217 WeakPolarHBondContact CB-OE1 3.44Å; P215-E217 HydrophobicContact CG-CG 4.14Å; P215-E217 WeakPolarHBondContact CG-OE1 3.47Å; P215-E217 PolarHBondContact O-N 2.56Å; P215-E217 VanDerWaalsContact O-N 3.12Å; E217-F219 VanDerWaalsContact C-N 3.3Å; E217-R220 PolarHBondContact O-NH1 2.96Å |
| 218 | S | 80.9 | Confident | 80.1 | Confident | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -81.9 | -12.8 | 168.3 | -53 | 0 | 0 | 0 | 0 | 112.1 | K173 F174 P215 P216 | K173-S218 CarbonylContact C-O 3.46Å; K173-S218 VanDerWaalsContact CA-O 3.27Å; K173-S218 WeakPolarHBondContact CA-O 3.33Å; F174-S218 PolarHBondContact N-O 2.84Å; P215-S218 WeakPolarHBondContact CD-OG 3.06Å; P215-S218 VanDerWaalsContact O-CB 3.26Å; P215-S218 WeakPolarHBondContact O-CB 3.33Å; P215-S218 PolarHBondContact O-N 3.31Å; P215-S218 PolarHBondContact O-OG 2.92Å; P216-S218 PolarHBondContact O-N 3.01Å |
| 219 | F | 79.4 | Confident | 81 | Confident | 36 Ų | 36 | 41.9 Ų | 41.9 | 16% | 0.158 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 143.8 | -176.8 | -59 | -86 | 0 | 0 | 0 | 111.2 | F174 F211 K214 P216 E217 | F174-F219 HydrophobicContact CB-CD1 3.79Å; F174-F219 HydrophobicContact CB-CE1 4.04Å; F174-F219 HydrophobicContact CD2-CD1 4.32Å; F174-F219 AromaticContact CD2-CE1 3.94Å; F174-F219 HydrophobicContact CD2-CE1 3.94Å; F174-F219 HydrophobicContact CD2-CZ 4.35Å; F174-F219 HydrophobicContact CG-CD1 4.41Å; F174-F219 HydrophobicContact CG-CE1 4.19Å; F174-F219 CarbonylContact O-C 3.59Å; F174-F219 WeakPolarHBondContact O-CA 3.23Å; F211-F219 HydrophobicContact CB-CE1 4.12Å; F211-F219 HydrophobicContact CB-CZ 3.94Å; F211-F219 HydrophobicContact CD1-CE1 4.32Å; F211-F219 AromaticContact CD2-CE1 3.86Å; F211-F219 HydrophobicContact CD2-CE1 3.86Å; F211-F219 HydrophobicContact CD2-CZ 4.29Å; F211-F219 HydrophobicContact CE2-CE1 4.39Å; F211-F219 AromaticContact CG-CE1 3.82Å; F211-F219 HydrophobicContact CG-CE1 3.82Å; F211-F219 HydrophobicContact CG-CZ 4.15Å; K214-F219 HydrophobicContact CB-CE2 3.7Å; K214-F219 HydrophobicContact CB-CZ 3.89Å; P216-F219 PolarHBondContact O-N 3.27Å; E217-F219 VanDerWaalsContact C-N 3.3Å |
| 220 | R | 82.3 | Confident | 81.7 | Confident | 47 Ų | 47 | 35.1 Ų | 35.1 | 18% | 0.177 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 161.3 | 174 | -63.1 | -64.3 | -176.2 | -82.2 | -2.7 | 108.4 | L37 M90 F174 I175 F176 E217 | L37-R220 HydrophobicContact CD1-CB 4.34Å; L37-R220 HydrophobicContact CD1-CG 4.24Å; L37-R220 HydrophobicContact CD2-CB 4.29Å; M90-R220 PolarHBondContact O-NE 2.88Å; M90-R220 VanDerWaalsContact O-NE 3.1Å; M90-R220 PolarHBondContact O-NH2 3.2Å; F174-R220 PolarHBondContact O-N 3.31Å; I175-R220 HydrophobicContact CG1-CB 4.29Å; F176-R220 PolarHBondContact N-O 3.08Å; E217-R220 PolarHBondContact O-NH1 2.96Å |
| 221 | M | 80.4 | Confident | 82.1 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 3% | 0.034 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 135.3 | 176.8 | 178.4 | 177.6 | -171.8 | 0 | 0 | 109.4 | L37 Q38 W60 V71 L75 F176 P178 | L37-M221 CarbonylContact C-O 3.58Å; L37-M221 VanDerWaalsContact CA-O 3.31Å; L37-M221 WeakPolarHBondContact CA-O 3.29Å; L37-M221 WeakPolarHBondContact CD2-O 3.48Å; Q38-M221 HydrophobicContact CB-CB 4.1Å; Q38-M221 HydrophobicContact CB-CG 4.21Å; Q38-M221 HydrophobicContact CB-SD 4.37Å; Q38-M221 HydrophobicContact CG-SD 4.46Å; Q38-M221 PolarHBondContact N-O 3.1Å; W60-M221 HydrophobicContact CH2-CE 3.4Å; W60-M221 HydrophobicContact CH2-SD 3.92Å; W60-M221 HydrophobicContact CZ2-CE 4.41Å; W60-M221 HydrophobicContact CZ3-CE 3.69Å; W60-M221 HydrophobicContact CZ3-SD 4.45Å; V71-M221 HydrophobicContact CG1-SD 4.24Å; L75-M221 HydrophobicContact CD1-SD 4.22Å; L75-M221 HydrophobicContact CD2-CB 3.78Å; F176-M221 HydrophobicContact CD1-CE 4.05Å; F176-M221 HydrophobicContact CD1-CG 3.98Å; F176-M221 HydrophobicContact CD1-SD 4.23Å; F176-M221 HydrophobicContact CE1-CE 4.03Å; F176-M221 WeakPolarHBondContact O-CA 3.35Å; P178-M221 HydrophobicContact CB-CE 3.53Å; P178-M221 HydrophobicContact CG-CE 3.76Å |
| 222 | L | 82.8 | Confident | 82.4 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.19 | C | C | . | . | B | Isolated β-bridge | trans | -66.1 | 137.2 | 171.4 | -68.8 | -171.1 | 0 | 0 | 0 | 110.4 | V36 L37 I175 F176 I177 I227 T253 T257 | V36-L222 HydrophobicContact CG1-CD2 4.32Å; L37-L222 HydrophobicContact CD2-CD2 3.9Å; I175-L222 HydrophobicContact CG2-CD2 3.76Å; I175-L222 HydrophobicContact CG2-CG 3.83Å; F176-L222 PolarHBondContact O-N 3.39Å; I177-L222 HydrophobicContact CG1-CD1 3.9Å; I177-L222 HydrophobicContact CG1-CG 4.44Å; I177-L222 HydrophobicContact CG2-CD1 4.44Å; L222-I227 HydrophobicContact CB-CD1 4.06Å; L222-I227 HydrophobicContact CB-CG1 4.36Å; L222-I227 HydrophobicContact CD1-CD1 4.48Å; L222-I227 HydrophobicContact CD1-CG1 4.44Å; L222-T253 HydrophobicContact CD1-CG2 4.17Å; L222-T257 HydrophobicContact CD2-CG2 4.15Å; L222-T257 WeakPolarHBondContact CD2-OG1 3.48Å |
| 223 | H | 81.6 | Confident | 82.7 | Confident | 11 Ų | 11 | 37.8 Ų | 37.8 | 5% | 0.051 | 19% | 0.187 | C | C | . | . | trans | -69.7 | 127.7 | 177.5 | -165 | -80.4 | 0 | 0 | 0 | 109.8 | P35 V36 Q38 Q225 F226 I227 | P35-H223 VanDerWaalsContact O-CB 3.28Å; P35-H223 WeakPolarHBondContact O-CB 3.38Å; V36-H223 PolarHBondContact O-N 2.92Å; Q38-H223 PolarHBondContact OE1-CD2 3.21Å; H223-Q225 VanDerWaalsContact C-N 3.26Å; H223-Q225 VanDerWaalsContact CE1-CB 3.45Å; H223-Q225 WeakPolarHBondContact CE1-CB 3.22Å; H223-Q225 WeakPolarHBondContact ND1-CB 3.21Å; H223-Q225 PolarHBondContact ND1-N 3.26Å; H223-Q225 VanDerWaalsContact ND1-N 3.17Å; H223-Q225 PolarHBondContact O-N 3.15Å; H223-F226 HydrophobicContact CB-CB 4.13Å; H223-F226 WeakPolarHBondContact O-CA 3.43Å; H223-F226 VanDerWaalsContact O-CB 3.27Å; H223-F226 WeakPolarHBondContact O-CB 3.38Å; H223-F226 PolarHBondContact O-N 3.01Å; H223-I227 PolarHBondContact O-N 2.85Å | ||
| 224 | P | 79 | Confident | 83.1 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.013 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.7 | -36.1 | -178.8 | -28.1 | 35.9 | 0 | 0 | 0 | 113.9 | Q38 W60 P178 F226 I227 S228 | Q38-P224 VanDerWaalsContact OE1-CD 3.26Å; W60-P224 HydrophobicContact CZ2-CG 3.99Å; P178-P224 HydrophobicContact CG-CG 4.44Å; P224-F226 VanDerWaalsContact C-N 3.29Å; P224-F226 PolarHBondContact O-N 2.94Å; P224-I227 PolarHBondContact O-N 3.45Å; P224-S228 PolarHBondContact O-N 2.88Å |
| 225 | Q | 80.4 | Confident | 83.6 | Confident | 95 Ų | 95 | 28 Ų | 28 | 44% | 0.444 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -65.2 | -32.1 | 175 | -167.8 | 178.7 | -4.6 | 0 | 0 | 112.6 | H223 S228 Y229 | H223-Q225 VanDerWaalsContact C-N 3.26Å; H223-Q225 VanDerWaalsContact CE1-CB 3.45Å; H223-Q225 WeakPolarHBondContact CE1-CB 3.22Å; H223-Q225 WeakPolarHBondContact ND1-CB 3.21Å; H223-Q225 PolarHBondContact ND1-N 3.26Å; H223-Q225 VanDerWaalsContact ND1-N 3.17Å; H223-Q225 PolarHBondContact O-N 3.15Å; Q225-S228 PolarHBondContact O-N 2.93Å; Q225-Y229 WeakPolarHBondContact O-CB 3.49Å; Q225-Y229 PolarHBondContact O-N 3.05Å |
| 226 | F | 86.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 28.9 Ų | 28.9 | 0% | 0.004 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.1 | -46.6 | 174.4 | 178.3 | -113.4 | 0 | 0 | 0 | 110.3 | P35 V36 H223 P224 S228 Y229 L230 H260 | P35-F226 WeakPolarHBondContact O-CB 3.35Å; V36-F226 HydrophobicContact CG1-CD1 4.06Å; V36-F226 HydrophobicContact CG1-CE1 3.82Å; V36-F226 HydrophobicContact CG1-CZ 4.1Å; V36-F226 HydrophobicContact CG2-CD2 4.1Å; V36-F226 HydrophobicContact CG2-CE2 3.84Å; V36-F226 HydrophobicContact CG2-CZ 4.05Å; H223-F226 HydrophobicContact CB-CB 4.13Å; H223-F226 WeakPolarHBondContact O-CA 3.43Å; H223-F226 VanDerWaalsContact O-CB 3.27Å; H223-F226 WeakPolarHBondContact O-CB 3.38Å; H223-F226 PolarHBondContact O-N 3.01Å; P224-F226 VanDerWaalsContact C-N 3.29Å; P224-F226 PolarHBondContact O-N 2.94Å; F226-S228 VanDerWaalsContact C-N 3.32Å; F226-S228 PolarHBondContact O-N 3.28Å; F226-Y229 AromaticContact CD2-CD1 3.85Å; F226-Y229 HydrophobicContact CD2-CD1 3.85Å; F226-Y229 HydrophobicContact CD2-CE1 4.34Å; F226-Y229 HydrophobicContact CE2-CD1 4.02Å; F226-Y229 HydrophobicContact CE2-CE1 4.06Å; F226-Y229 WeakPolarHBondContact O-CB 3.42Å; F226-Y229 PolarHBondContact O-N 3.42Å; F226-Y229 VanDerWaalsContact O-N 3.1Å; F226-L230 HydrophobicContact CD1-CD1 4.07Å; F226-L230 HydrophobicContact CD1-CG 4.41Å; F226-L230 HydrophobicContact CE1-CD1 3.6Å; F226-L230 HydrophobicContact CE1-CD2 4.3Å; F226-L230 HydrophobicContact CE1-CG 4.12Å; F226-L230 HydrophobicContact CE2-CD2 3.88Å; F226-L230 HydrophobicContact CE2-CG 4.28Å; F226-L230 HydrophobicContact CZ-CD1 3.92Å; F226-L230 HydrophobicContact CZ-CD2 3.74Å; F226-L230 HydrophobicContact CZ-CG 4.05Å; F226-L230 WeakPolarHBondContact O-CG 3.18Å; F226-L230 PolarHBondContact O-N 3.18Å; F226-H260 HydrophobicContact CE2-CB 4.19Å; F226-H260 AromaticContact CE2-CD2 3.79Å; F226-H260 AromaticContact CE2-CG 3.63Å; F226-H260 AromaticContact CE2-ND1 3.78Å; F226-H260 HydrophobicContact CZ-CB 4.17Å; F226-H260 AromaticContact CZ-CG 3.8Å; F226-H260 AromaticContact CZ-ND1 3.66Å |
| 227 | I | 85.4 | Confident | 84.9 | Confident | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -59.2 | -45.3 | 176.4 | -60.5 | 168.6 | 0 | 0 | 0 | 110.9 | P57 I177 P178 L222 H223 P224 Y229 L230 M231 T253 | P57-I227 HydrophobicContact CB-CD1 4.36Å; P57-I227 HydrophobicContact CB-CG2 4.11Å; P57-I227 HydrophobicContact CG-CG2 4.15Å; I177-I227 HydrophobicContact CG2-CD1 4.45Å; P178-I227 HydrophobicContact CG-CD1 3.8Å; L222-I227 HydrophobicContact CB-CD1 4.06Å; L222-I227 HydrophobicContact CB-CG1 4.36Å; L222-I227 HydrophobicContact CD1-CD1 4.48Å; L222-I227 HydrophobicContact CD1-CG1 4.44Å; H223-I227 PolarHBondContact O-N 2.85Å; P224-I227 PolarHBondContact O-N 3.45Å; I227-Y229 VanDerWaalsContact C-N 3.33Å; I227-Y229 PolarHBondContact O-N 2.8Å; I227-L230 PolarHBondContact O-N 3.02Å; I227-M231 PolarHBondContact O-N 3.04Å; I227-T253 HydrophobicContact CG1-CG2 4.23Å; I227-T253 HydrophobicContact CG2-CG2 4.47Å |
| 228 | S | 83.9 | Confident | 85.4 | Confident | 21 Ų | 21 | 27.2 Ų | 27.2 | 15% | 0.147 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -57.1 | -46.1 | 174.1 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | P224 Q225 F226 M231 H232 | P224-S228 PolarHBondContact O-N 2.88Å; Q225-S228 PolarHBondContact O-N 2.93Å; F226-S228 VanDerWaalsContact C-N 3.32Å; F226-S228 PolarHBondContact O-N 3.28Å; S228-M231 PolarHBondContact O-N 3.08Å; S228-H232 PolarHBondContact O-CD2 3.09Å; S228-H232 PolarHBondContact O-N 3.26Å; S228-H232 VanDerWaalsContact O-N 3.08Å |
| 229 | Y | 89.6 | Confident | 85.6 | Confident | 21 Ų | 21 | 29.2 Ų | 29.2 | 8% | 0.082 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 176.9 | 150.1 | -103.4 | 0 | 0 | 0 | 112.1 | R29 F30 S31 L34 Q225 F226 I227 M231 H232 S233 H260 | R29-Y229 WeakPolarHBondContact O-CE2 3.41Å; R29-Y229 PolarHBondContact O-OH 3.45Å; F30-Y229 VanDerWaalsContact CA-OH 3.26Å; F30-Y229 WeakPolarHBondContact CA-OH 3.25Å; S31-Y229 PolarHBondContact N-OH 2.84Å; L34-Y229 HydrophobicContact CD1-CD1 3.74Å; L34-Y229 HydrophobicContact CD1-CD2 3.58Å; L34-Y229 HydrophobicContact CD1-CE1 4.39Å; L34-Y229 HydrophobicContact CD1-CE2 4.28Å; L34-Y229 HydrophobicContact CD1-CG 3.3Å; Q225-Y229 WeakPolarHBondContact O-CB 3.49Å; Q225-Y229 PolarHBondContact O-N 3.05Å; F226-Y229 AromaticContact CD2-CD1 3.85Å; F226-Y229 HydrophobicContact CD2-CD1 3.85Å; F226-Y229 HydrophobicContact CD2-CE1 4.34Å; F226-Y229 HydrophobicContact CE2-CD1 4.02Å; F226-Y229 HydrophobicContact CE2-CE1 4.06Å; F226-Y229 WeakPolarHBondContact O-CB 3.42Å; F226-Y229 PolarHBondContact O-N 3.42Å; F226-Y229 VanDerWaalsContact O-N 3.1Å; I227-Y229 VanDerWaalsContact C-N 3.33Å; I227-Y229 PolarHBondContact O-N 2.8Å; Y229-M231 VanDerWaalsContact C-N 3.27Å; Y229-M231 PolarHBondContact O-N 2.8Å; Y229-H232 PolarHBondContact O-N 2.81Å; Y229-S233 WeakPolarHBondContact CD2-OG 3.23Å; Y229-S233 WeakPolarHBondContact CE2-OG 3.37Å; Y229-S233 VanDerWaalsContact O-CB 3.23Å; Y229-S233 WeakPolarHBondContact O-CB 3.45Å; Y229-S233 PolarHBondContact O-N 3.47Å; Y229-S233 PolarHBondContact O-OG 2.97Å; Y229-H260 AromaticContact CE1-CE1 3.86Å; Y229-H260 AromaticContact CE1-NE2 3.39Å; Y229-H260 WeakPolarHBondContact CE1-NE2 3.22Å; Y229-H260 AromaticContact CZ-NE2 3.79Å; Y229-H260 PolarHBondContact OH-NE2 2.98Å |
| 230 | L | 90.4 | Very high | 85.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -57 | -43.3 | -179.9 | -65.7 | -178.5 | 0 | 0 | 0 | 111.4 | F226 I227 L234 L235 P251 T253 L256 | F226-L230 HydrophobicContact CD1-CD1 4.07Å; F226-L230 HydrophobicContact CD1-CG 4.41Å; F226-L230 HydrophobicContact CE1-CD1 3.6Å; F226-L230 HydrophobicContact CE1-CD2 4.3Å; F226-L230 HydrophobicContact CE1-CG 4.12Å; F226-L230 HydrophobicContact CE2-CD2 3.88Å; F226-L230 HydrophobicContact CE2-CG 4.28Å; F226-L230 HydrophobicContact CZ-CD1 3.92Å; F226-L230 HydrophobicContact CZ-CD2 3.74Å; F226-L230 HydrophobicContact CZ-CG 4.05Å; F226-L230 WeakPolarHBondContact O-CG 3.18Å; F226-L230 PolarHBondContact O-N 3.18Å; I227-L230 PolarHBondContact O-N 3.02Å; L230-L234 HydrophobicContact CD2-CD1 3.75Å; L230-L234 WeakPolarHBondContact O-CA 3.38Å; L230-L234 VanDerWaalsContact O-CB 3.31Å; L230-L234 WeakPolarHBondContact O-CB 3.22Å; L230-L234 PolarHBondContact O-N 3.13Å; L230-L235 PolarHBondContact O-N 3.08Å; L230-P251 HydrophobicContact CB-CG 4.42Å; L230-T253 HydrophobicContact CD1-CG2 4.49Å; L230-L256 HydrophobicContact CB-CD1 4.18Å; L230-L256 HydrophobicContact CD1-CB 3.67Å; L230-L256 HydrophobicContact CD1-CD1 3.85Å; L230-L256 HydrophobicContact CD1-CG 4.39Å; L230-L256 HydrophobicContact CD2-CB 3.76Å; L230-L256 HydrophobicContact CD2-CD1 3.99Å; L230-L256 HydrophobicContact CD2-CD2 4.42Å; L230-L256 HydrophobicContact CD2-CG 4.26Å; L230-L256 HydrophobicContact CG-CB 4.34Å; L230-L256 HydrophobicContact CG-CD1 4.22Å |
| 231 | M | 85.8 | Confident | 85.8 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.02 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.1 | -46.2 | -179.8 | -72.9 | -176.3 | 30.8 | 0 | 0 | 113.6 | Y58 I227 S228 Y229 S233 L235 T236 M240 Y249 P251 | Y58-M231 HydrophobicContact CD1-SD 4.42Å; Y58-M231 HydrophobicContact CE1-CE 3.49Å; Y58-M231 VanDerWaalsContact CE1-CE 3.49Å; Y58-M231 HydrophobicContact CE1-SD 3.29Å; Y58-M231 WeakPolarHBondContact CE1-SD 3.46Å; Y58-M231 WeakPolarHBondContact OH-CE 3.15Å; Y58-M231 PolarHBondContact OH-SD 2.62Å; I227-M231 PolarHBondContact O-N 3.04Å; S228-M231 PolarHBondContact O-N 3.08Å; Y229-M231 VanDerWaalsContact C-N 3.27Å; Y229-M231 PolarHBondContact O-N 2.8Å; M231-S233 VanDerWaalsContact C-N 3.33Å; M231-S233 PolarHBondContact O-N 3.48Å; M231-L235 CarbonylContact O-C 3.51Å; M231-T236 WeakPolarHBondContact O-CA 3.39Å; M231-T236 PolarHBondContact O-N 3.23Å; M231-T236 VanDerWaalsContact O-N 3.09Å; M231-T236 PolarHBondContact O-OG1 3.2Å; M231-M240 HydrophobicContact CB-CE 4.09Å; M231-M240 HydrophobicContact CB-SD 4.19Å; M231-M240 HydrophobicContact CE-CE 3.41Å; M231-M240 VanDerWaalsContact CE-CE 3.41Å; M231-M240 HydrophobicContact CE-CG 4.01Å; M231-M240 HydrophobicContact CE-SD 3.78Å; M231-Y249 HydrophobicContact CB-CE1 4.5Å; M231-Y249 HydrophobicContact CE-CD1 3.39Å; M231-Y249 HydrophobicContact CE-CE1 3.61Å; M231-Y249 HydrophobicContact CG-CE1 3.94Å; M231-Y249 HydrophobicContact SD-CD1 3.86Å; M231-Y249 HydrophobicContact SD-CE1 3.86Å; M231-P251 HydrophobicContact CG-CG 3.57Å; M231-P251 WeakPolarHBondContact SD-CD 3.33Å; M231-P251 HydrophobicContact SD-CG 4.31Å |
| 232 | H | 87.3 | Confident | 85.7 | Confident | 103 Ų | 103 | 35.8 Ų | 35.8 | 48% | 0.477 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -77.2 | -21.8 | -176.1 | -72.9 | -69.1 | 0 | 0 | 0 | 113.4 | S228 Y229 T236 M240 | S228-H232 PolarHBondContact O-CD2 3.09Å; S228-H232 PolarHBondContact O-N 3.26Å; S228-H232 VanDerWaalsContact O-N 3.08Å; Y229-H232 PolarHBondContact O-N 2.81Å; H232-T236 PolarHBondContact O-OG1 3.43Å; H232-T236 VanDerWaalsContact O-OG1 3.11Å; H232-M240 VanDerWaalsContact CE1-CE 3.4Å; H232-M240 WeakPolarHBondContact CE1-CE 3.34Å |
| 233 | S | 90.1 | Very high | 85.3 | Confident | 31 Ų | 31 | 40 Ų | 40 | 22% | 0.217 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -106.4 | -39.4 | -175.4 | -44.6 | 0 | 0 | 0 | 0 | 112.7 | R29 Y229 M231 | R29-S233 WeakPolarHBondContact CD-O 3.29Å; R29-S233 PolarHBondContact NH1-O 3.32Å; Y229-S233 WeakPolarHBondContact CD2-OG 3.23Å; Y229-S233 WeakPolarHBondContact CE2-OG 3.37Å; Y229-S233 VanDerWaalsContact O-CB 3.23Å; Y229-S233 WeakPolarHBondContact O-CB 3.45Å; Y229-S233 PolarHBondContact O-N 3.47Å; Y229-S233 PolarHBondContact O-OG 2.97Å; M231-S233 VanDerWaalsContact C-N 3.33Å; M231-S233 PolarHBondContact O-N 3.48Å |
| 234 | L | 90.7 | Very high | 84.8 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | -38.4 | -170.4 | -54.4 | -179.6 | 0 | 0 | 0 | 113.6 | R29 F30 L230 L256 L304 | R29-L234 HydrophobicContact CB-CD2 3.87Å; R29-L234 WeakPolarHBondContact O-CD2 3.48Å; F30-L234 HydrophobicContact CD1-CD1 4.44Å; F30-L234 HydrophobicContact CD2-CD2 3.89Å; F30-L234 HydrophobicContact CE1-CD1 3.88Å; F30-L234 HydrophobicContact CE1-CD2 4.48Å; F30-L234 HydrophobicContact CE2-CD1 4.36Å; F30-L234 HydrophobicContact CE2-CD2 3.6Å; F30-L234 HydrophobicContact CG-CD2 4.45Å; F30-L234 HydrophobicContact CZ-CD1 3.84Å; F30-L234 HydrophobicContact CZ-CD2 3.93Å; L230-L234 HydrophobicContact CD2-CD1 3.75Å; L230-L234 WeakPolarHBondContact O-CA 3.38Å; L230-L234 VanDerWaalsContact O-CB 3.31Å; L230-L234 WeakPolarHBondContact O-CB 3.22Å; L230-L234 PolarHBondContact O-N 3.13Å; L234-L256 HydrophobicContact CD1-CD2 3.66Å; L234-L304 HydrophobicContact CB-CD2 4.26Å |
| 235 | L | 90.8 | Very high | 84.5 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 26% | 0.263 | C | S | . | . | trans | -130 | 64 | -172.6 | -68.7 | 170.8 | 0 | 0 | 0 | 111.1 | L230 M231 S237 Y249 P251 L256 M300 E301 L304 | L230-L235 PolarHBondContact O-N 3.08Å; M231-L235 CarbonylContact O-C 3.51Å; L235-S237 PolarHBondContact O-N 3.42Å; L235-S237 VanDerWaalsContact O-N 3.13Å; L235-Y249 PolarHBondContact O-OH 3.02Å; L235-P251 HydrophobicContact CB-CB 4.2Å; L235-P251 HydrophobicContact CD1-CB 3.27Å; L235-P251 HydrophobicContact CD1-CG 4.41Å; L235-P251 HydrophobicContact CG-CB 4.37Å; L235-L256 HydrophobicContact CD1-CD1 3.66Å; L235-M300 HydrophobicContact CD2-CG 3.91Å; L235-M300 HydrophobicContact CD2-SD 4.42Å; L235-E301 HydrophobicContact CD1-CG 3.92Å; L235-E301 HydrophobicContact CD2-CB 4.48Å; L235-E301 HydrophobicContact CD2-CG 3.84Å; L235-L304 HydrophobicContact CD1-CD2 4.42Å; L235-L304 HydrophobicContact CD2-CB 4.23Å; L235-L304 HydrophobicContact CD2-CD2 3.66Å; L235-L304 HydrophobicContact CG-CD2 3.92Å | ||
| 236 | T | 90.2 | Very high | 84.1 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 44% | 0.442 | 27% | 0.265 | S | S | . | . | trans | -86 | 78.8 | -176.9 | -49.1 | 0 | 0 | 0 | 0 | 110.8 | M231 H232 M240 M300 | M231-T236 WeakPolarHBondContact O-CA 3.39Å; M231-T236 PolarHBondContact O-N 3.23Å; M231-T236 VanDerWaalsContact O-N 3.09Å; M231-T236 PolarHBondContact O-OG1 3.2Å; H232-T236 PolarHBondContact O-OG1 3.43Å; H232-T236 VanDerWaalsContact O-OG1 3.11Å; T236-M240 HydrophobicContact CG2-SD 4.43Å; T236-M300 WeakPolarHBondContact O-CE 3.16Å | ||
| 237 | S | 89.4 | Confident | 83.2 | Confident | 4 Ų | 4 | 51 Ų | 51 | 3% | 0.028 | 28% | 0.281 | C | S | . | . | trans | -76.3 | 144.5 | -178 | -179.6 | 0 | 0 | 0 | 0 | 112.6 | L235 L239 M240 Y249 D297 | L235-S237 PolarHBondContact O-N 3.42Å; L235-S237 VanDerWaalsContact O-N 3.13Å; S237-L239 PolarHBondContact O-N 2.87Å; S237-L239 VanDerWaalsContact O-N 3.13Å; S237-L239 WeakPolarHBondContact OG-CB 3.44Å; S237-L239 WeakPolarHBondContact OG-CG 3.46Å; S237-L239 PolarHBondContact OG-N 2.69Å; S237-M240 VanDerWaalsContact O-CB 3.3Å; S237-M240 WeakPolarHBondContact O-CB 3.37Å; S237-M240 WeakPolarHBondContact O-CG 3.41Å; S237-M240 PolarHBondContact O-N 3.12Å; S237-Y249 VanDerWaalsContact CB-CZ 3.49Å; S237-Y249 WeakPolarHBondContact CB-OH 3.37Å; S237-D297 WeakPolarHBondContact CB-OD2 2.83Å; S237-D297 WeakPolarHBondContact OG-CB 2.9Å; S237-D297 PolarHBondContact OG-OD2 3.16Å | ||
| 238 | P | 86.9 | Confident | 82.3 | Confident | 93 Ų | 93 | 53.6 Ų | 53.6 | 60% | 0.604 | 29% | 0.294 | S | S | * | . | G | 310 helix | trans | -53.6 | -27.7 | 167.4 | -25.3 | 34.8 | 0 | 0 | 0 | 113.4 | M240 T241 | P238-M240 PolarHBondContact O-N 3.37Å; P238-M240 VanDerWaalsContact O-N 3.08Å; P238-T241 PolarHBondContact O-N 3.34Å; P238-T241 PolarHBondContact O-OG1 3.32Å |
| 239 | L | 84.8 | Confident | 81.9 | Confident | 44 Ų | 44 | 52.6 Ų | 52.6 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -57.7 | -22.5 | 176.2 | -63.1 | 175.7 | 0 | 0 | 0 | 113.2 | S237 T241 D242 A245 R246 Y249 D297 | S237-L239 PolarHBondContact O-N 2.87Å; S237-L239 VanDerWaalsContact O-N 3.13Å; S237-L239 WeakPolarHBondContact OG-CB 3.44Å; S237-L239 WeakPolarHBondContact OG-CG 3.46Å; S237-L239 PolarHBondContact OG-N 2.69Å; L239-T241 PolarHBondContact O-N 2.84Å; L239-D242 PolarHBondContact O-N 3.43Å; L239-A245 HydrophobicContact CB-CB 4.33Å; L239-A245 HydrophobicContact CD2-CB 4.13Å; L239-R246 WeakPolarHBondContact O-CA 3.27Å; L239-R246 PolarHBondContact O-N 3.41Å; L239-Y249 HydrophobicContact CB-CD2 4.14Å; L239-Y249 HydrophobicContact CB-CG 4.45Å; L239-Y249 HydrophobicContact CD1-CD2 4.13Å; L239-D297 HydrophobicContact CD1-CB 4.22Å |
| 240 | M | 81.4 | Confident | 81.3 | Confident | 37 Ų | 37 | 52.7 Ų | 52.7 | 18% | 0.182 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -67.1 | -20.6 | 175.2 | -63.2 | 179.8 | 61.4 | 0 | 0 | 113.3 | M231 H232 T236 S237 P238 R246 Y249 | M231-M240 HydrophobicContact CB-CE 4.09Å; M231-M240 HydrophobicContact CB-SD 4.19Å; M231-M240 HydrophobicContact CE-CE 3.41Å; M231-M240 VanDerWaalsContact CE-CE 3.41Å; M231-M240 HydrophobicContact CE-CG 4.01Å; M231-M240 HydrophobicContact CE-SD 3.78Å; H232-M240 VanDerWaalsContact CE1-CE 3.4Å; H232-M240 WeakPolarHBondContact CE1-CE 3.34Å; T236-M240 HydrophobicContact CG2-SD 4.43Å; S237-M240 VanDerWaalsContact O-CB 3.3Å; S237-M240 WeakPolarHBondContact O-CB 3.37Å; S237-M240 WeakPolarHBondContact O-CG 3.41Å; S237-M240 PolarHBondContact O-N 3.12Å; P238-M240 PolarHBondContact O-N 3.37Å; P238-M240 VanDerWaalsContact O-N 3.08Å; M240-R246 VanDerWaalsContact O-CB 3.25Å; M240-R246 WeakPolarHBondContact O-CB 3.46Å; M240-Y249 HydrophobicContact CG-CD1 3.47Å; M240-Y249 VanDerWaalsContact CG-CD1 3.47Å; M240-Y249 HydrophobicContact CG-CE1 3.57Å; M240-Y249 HydrophobicContact CG-CG 4.31Å; M240-Y249 HydrophobicContact SD-CD1 4.23Å; M240-Y249 HydrophobicContact SD-CE1 3.81Å |
| 241 | T | 83.6 | Confident | 80.7 | Confident | 124 Ų | 124 | 52.7 Ų | 52.7 | 76% | 0.761 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -14.5 | 178.9 | 63.9 | 0 | 0 | 0 | 0 | 113 | P238 L239 | P238-T241 PolarHBondContact O-N 3.34Å; P238-T241 PolarHBondContact O-OG1 3.32Å; L239-T241 PolarHBondContact O-N 2.84Å |
| 242 | D | 79.7 | Confident | 80.4 | Confident | 68 Ų | 68 | 53.6 Ų | 53.6 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | trans | -73.1 | 127.5 | 179.6 | -177.7 | -62.5 | 0 | 0 | 0 | 110.9 | L239 L244 A245 R246 | L239-D242 PolarHBondContact O-N 3.43Å; D242-L244 PolarHBondContact O-N 3Å; D242-L244 WeakPolarHBondContact OD1-CA 3.34Å; D242-L244 WeakPolarHBondContact OD1-CB 3.13Å; D242-L244 PolarHBondContact OD1-N 2.77Å; D242-A245 HydrophobicContact CB-CB 4.03Å; D242-A245 PolarHBondContact O-N 3.22Å; D242-A245 PolarHBondContact OD1-N 3.21Å; D242-R246 WeakPolarHBondContact O-CB 3.36Å; D242-R246 WeakPolarHBondContact O-CG 3.47Å; D242-R246 PolarHBondContact O-N 3.09Å | ||
| 243 | S | 74.7 | Confident | 80.3 | Confident | 88 Ų | 88 | 48.9 Ų | 48.9 | 62% | 0.615 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -23 | -174.7 | 61.4 | 0 | 0 | 0 | 0 | 114.2 | ||
| 244 | L | 71.1 | Confident | 80.4 | Confident | 144 Ų | 144 | 47.4 Ų | 47.4 | 75% | 0.754 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -31 | 179.5 | -59.1 | 176.5 | 0 | 0 | 0 | 112 | D242 | D242-L244 PolarHBondContact O-N 3Å; D242-L244 WeakPolarHBondContact OD1-CA 3.34Å; D242-L244 WeakPolarHBondContact OD1-CB 3.13Å; D242-L244 PolarHBondContact OD1-N 2.77Å |
| 245 | A | 71.5 | Confident | 80.7 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -24.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | L239 D242 D247 L248 Y249 A294 | L239-A245 HydrophobicContact CB-CB 4.33Å; L239-A245 HydrophobicContact CD2-CB 4.13Å; D242-A245 HydrophobicContact CB-CB 4.03Å; D242-A245 PolarHBondContact O-N 3.22Å; D242-A245 PolarHBondContact OD1-N 3.21Å; A245-D247 PolarHBondContact O-N 3.15Å; A245-D247 VanDerWaalsContact O-N 3.11Å; A245-L248 WeakPolarHBondContact O-CA 3.45Å; A245-L248 WeakPolarHBondContact O-CB 3.42Å; A245-L248 PolarHBondContact O-N 3.14Å; A245-Y249 PolarHBondContact O-N 3.21Å; A245-A294 HydrophobicContact CB-CB 3.97Å |
| 246 | R | 72.4 | Confident | 80.9 | Confident | 129 Ų | 129 | 46.4 Ų | 46.4 | 49% | 0.487 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -33.4 | -173.7 | 69.4 | -175.2 | -169 | -168.8 | -3 | 114.6 | L239 M240 D242 L248 | L239-R246 WeakPolarHBondContact O-CA 3.27Å; L239-R246 PolarHBondContact O-N 3.41Å; M240-R246 VanDerWaalsContact O-CB 3.25Å; M240-R246 WeakPolarHBondContact O-CB 3.46Å; D242-R246 WeakPolarHBondContact O-CB 3.36Å; D242-R246 WeakPolarHBondContact O-CG 3.47Å; D242-R246 PolarHBondContact O-N 3.09Å; R246-L248 PolarHBondContact O-N 3.25Å |
| 247 | D | 67.1 | Low | 81 | Confident | 62 Ų | 62 | 43 Ų | 43 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -6 | -179.4 | -78.4 | 10.5 | 0 | 0 | 0 | 111.9 | R185 A245 | R185-D247 IonicContact NH1-OD2 3.92Å; R185-D247 IonicContact NH2-OD2 3.86Å; A245-D247 PolarHBondContact O-N 3.15Å; A245-D247 VanDerWaalsContact O-N 3.11Å |
| 248 | L | 67.2 | Low | 81.3 | Confident | 54 Ų | 54 | 42.8 Ų | 42.8 | 28% | 0.283 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -28.7 | -177.9 | -69.1 | 176.7 | 0 | 0 | 0 | 113.2 | A245 R246 M250 N295 | A245-L248 WeakPolarHBondContact O-CA 3.45Å; A245-L248 WeakPolarHBondContact O-CB 3.42Å; A245-L248 PolarHBondContact O-N 3.14Å; R246-L248 PolarHBondContact O-N 3.25Å; L248-M250 PolarHBondContact O-N 3.05Å; L248-N295 HydrophobicContact CB-CB 4.4Å; L248-N295 WeakPolarHBondContact O-CA 3.49Å; L248-N295 WeakPolarHBondContact O-CB 3.46Å |
| 249 | Y | 74.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 38.4 Ų | 38.4 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | trans | -56.6 | 133.8 | -178.3 | 177.9 | -107.7 | 0 | 0 | 0 | 111 | Y58 M231 L235 S237 L239 M240 A245 N295 D297 | Y58-Y249 PolarHBondContact OH-O 2.84Å; M231-Y249 HydrophobicContact CB-CE1 4.5Å; M231-Y249 HydrophobicContact CE-CD1 3.39Å; M231-Y249 HydrophobicContact CE-CE1 3.61Å; M231-Y249 HydrophobicContact CG-CE1 3.94Å; M231-Y249 HydrophobicContact SD-CD1 3.86Å; M231-Y249 HydrophobicContact SD-CE1 3.86Å; L235-Y249 PolarHBondContact O-OH 3.02Å; S237-Y249 VanDerWaalsContact CB-CZ 3.49Å; S237-Y249 WeakPolarHBondContact CB-OH 3.37Å; L239-Y249 HydrophobicContact CB-CD2 4.14Å; L239-Y249 HydrophobicContact CB-CG 4.45Å; L239-Y249 HydrophobicContact CD1-CD2 4.13Å; M240-Y249 HydrophobicContact CG-CD1 3.47Å; M240-Y249 VanDerWaalsContact CG-CD1 3.47Å; M240-Y249 HydrophobicContact CG-CE1 3.57Å; M240-Y249 HydrophobicContact CG-CG 4.31Å; M240-Y249 HydrophobicContact SD-CD1 4.23Å; M240-Y249 HydrophobicContact SD-CE1 3.81Å; A245-Y249 PolarHBondContact O-N 3.21Å; Y249-N295 CarbonylContact C-O 3.59Å; Y249-N295 WeakPolarHBondContact CA-O 3.39Å; Y249-D297 HydrophobicContact CE2-CB 3.9Å | ||
| 250 | M | 76.8 | Confident | 81.9 | Confident | 22 Ų | 22 | 36.7 Ų | 36.7 | 11% | 0.108 | 20% | 0.198 | C | C | . | . | trans | -152.1 | 137.9 | 169.6 | -175 | -144.5 | -52.6 | 0 | 0 | 108.1 | P57 T151 I177 L248 T253 N295 H296 | P57-M250 HydrophobicContact CG-CB 4.46Å; P57-M250 HydrophobicContact CG-CG 4.19Å; T151-M250 HydrophobicContact CG2-CE 4.21Å; I177-M250 HydrophobicContact CG2-CE 4.19Å; I177-M250 HydrophobicContact CG2-SD 3.82Å; L248-M250 PolarHBondContact O-N 3.05Å; M250-T253 HydrophobicContact CG-CG2 4.41Å; M250-T253 HydrophobicContact SD-CG2 4.15Å; M250-N295 PolarHBondContact N-O 2.79Å; M250-N295 VanDerWaalsContact O-O 3.07Å; M250-H296 PolarHBondContact O-CE1 3.07Å; M250-H296 PolarHBondContact O-ND1 2.48Å | ||
| 251 | P | 78.3 | Confident | 82.3 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -78 | 165.6 | 175.5 | 30.1 | -36.3 | 0 | 0 | 0 | 113 | L230 M231 L235 T253 E301 | L230-P251 HydrophobicContact CB-CG 4.42Å; M231-P251 HydrophobicContact CG-CG 3.57Å; M231-P251 WeakPolarHBondContact SD-CD 3.33Å; M231-P251 HydrophobicContact SD-CG 4.31Å; L235-P251 HydrophobicContact CB-CB 4.2Å; L235-P251 HydrophobicContact CD1-CB 3.27Å; L235-P251 HydrophobicContact CD1-CG 4.41Å; L235-P251 HydrophobicContact CG-CB 4.37Å; P251-T253 VanDerWaalsContact C-N 3.34Å; P251-T253 HydrophobicContact CG-CG2 4.45Å; P251-T253 WeakPolarHBondContact O-CG2 3.47Å; P251-T253 PolarHBondContact O-N 2.66Å; P251-E301 WeakPolarHBondContact CA-OE1 3.48Å | ||
| 252 | S | 79.2 | Confident | 82.7 | Confident | 23 Ų | 23 | 29.1 Ų | 29.1 | 16% | 0.161 | 15% | 0.154 | C | C | . | . | trans | -61.1 | 89 | 164.8 | -71.7 | 0 | 0 | 0 | 0 | 112.1 | E301 | S252-E301 WeakPolarHBondContact CB-OE2 3.41Å; S252-E301 PolarHBondContact N-OE1 3.16Å; S252-E301 PolarHBondContact OG-OE1 2.66Å; S252-E301 PolarHBondContact OG-OE2 3.04Å | ||
| 253 | T | 86 | Confident | 83.2 | Confident | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -70.4 | -35.3 | -171.4 | 48.7 | 0 | 0 | 0 | 0 | 113.9 | I177 L222 I227 L230 M250 P251 L255 L256 T257 | I177-T253 WeakPolarHBondContact CD1-OG1 3.3Å; I177-T253 HydrophobicContact CG2-CG2 4.41Å; L222-T253 HydrophobicContact CD1-CG2 4.17Å; I227-T253 HydrophobicContact CG1-CG2 4.23Å; I227-T253 HydrophobicContact CG2-CG2 4.47Å; L230-T253 HydrophobicContact CD1-CG2 4.49Å; M250-T253 HydrophobicContact CG-CG2 4.41Å; M250-T253 HydrophobicContact SD-CG2 4.15Å; P251-T253 VanDerWaalsContact C-N 3.34Å; P251-T253 HydrophobicContact CG-CG2 4.45Å; P251-T253 WeakPolarHBondContact O-CG2 3.47Å; P251-T253 PolarHBondContact O-N 2.66Å; T253-L255 PolarHBondContact O-N 3.08Å; T253-L256 PolarHBondContact O-N 3.16Å; T253-T257 WeakPolarHBondContact O-CB 3.46Å; T253-T257 PolarHBondContact O-N 3.46Å; T253-T257 PolarHBondContact O-OG1 2.88Å |
| 254 | M | 92.7 | Very high | 84.1 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -67.7 | -38.4 | -172.3 | -72.4 | -65.6 | -69.3 | 0 | 0 | 114.4 | F127 M129 I175 I177 L256 T257 A258 | F127-M254 HydrophobicContact CB-CE 4.08Å; F127-M254 HydrophobicContact CD1-CE 3.66Å; F127-M254 HydrophobicContact CG-CE 4.36Å; M129-M254 HydrophobicContact CB-CG 4.07Å; M129-M254 HydrophobicContact CE-CB 3.6Å; M129-M254 HydrophobicContact CE-CG 4.28Å; M129-M254 HydrophobicContact SD-CB 3.59Å; M129-M254 VanDerWaalsContact SD-CB 3.59Å; M129-M254 HydrophobicContact SD-CG 3.85Å; I175-M254 HydrophobicContact CB-SD 4.39Å; I175-M254 HydrophobicContact CD1-CE 4.23Å; I175-M254 HydrophobicContact CD1-SD 4.41Å; I175-M254 HydrophobicContact CG2-SD 4.44Å; I177-M254 HydrophobicContact CD1-CG 4.28Å; M254-L256 VanDerWaalsContact C-N 3.34Å; M254-T257 WeakPolarHBondContact O-CB 3.39Å; M254-T257 PolarHBondContact O-N 3.11Å; M254-A258 PolarHBondContact O-N 3.38Å |
| 255 | L | 95.8 | Very high | 85.4 | Confident | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.5 | -42.1 | 176 | -179.1 | 54.2 | 0 | 0 | 0 | 111.1 | V104 T253 A258 L259 V265 A267 F270 W305 L314 | V104-L255 HydrophobicContact CB-CD1 3.89Å; V104-L255 HydrophobicContact CG1-CB 4.27Å; V104-L255 HydrophobicContact CG1-CD1 4.28Å; V104-L255 HydrophobicContact CG2-CD1 3.81Å; T253-L255 PolarHBondContact O-N 3.08Å; L255-A258 PolarHBondContact O-N 3.35Å; L255-L259 HydrophobicContact CG-CD1 4.39Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 3.43Å; L255-V265 HydrophobicContact CD1-CG1 3.82Å; L255-A267 HydrophobicContact CD1-CB 3.97Å; L255-A267 HydrophobicContact CD2-CB 4.08Å; L255-F270 HydrophobicContact CB-CE1 3.72Å; L255-F270 HydrophobicContact CB-CZ 3.69Å; L255-F270 HydrophobicContact CD1-CZ 4.49Å; L255-F270 HydrophobicContact CD2-CD1 3.72Å; L255-F270 HydrophobicContact CD2-CD2 4.4Å; L255-F270 HydrophobicContact CD2-CE1 3.61Å; L255-F270 HydrophobicContact CD2-CE2 4.3Å; L255-F270 HydrophobicContact CD2-CG 4.14Å; L255-F270 HydrophobicContact CD2-CZ 3.93Å; L255-F270 HydrophobicContact CG-CE1 4.25Å; L255-F270 HydrophobicContact CG-CZ 4.25Å; L255-W305 HydrophobicContact CB-CH2 4.35Å; L255-W305 HydrophobicContact CD2-CD2 3.62Å; L255-W305 HydrophobicContact CD2-CE3 3.47Å; L255-W305 VanDerWaalsContact CD2-CE3 3.47Å; L255-W305 HydrophobicContact CD2-CG 4.39Å; L255-W305 HydrophobicContact CD2-CH2 3.84Å; L255-W305 HydrophobicContact CD2-CZ2 3.96Å; L255-W305 HydrophobicContact CD2-CZ3 3.58Å; L255-W305 HydrophobicContact CG-CE3 4.33Å; L255-W305 HydrophobicContact CG-CH2 4.27Å; L255-W305 HydrophobicContact CG-CZ3 4.02Å; L255-L314 HydrophobicContact CD1-CD1 4.03Å; L255-L314 HydrophobicContact CD2-CD2 4.26Å |
| 256 | L | 94.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -68.6 | -35.5 | 176.9 | -69.1 | 166.9 | 0 | 0 | 0 | 111.8 | L230 L234 L235 T253 M254 L259 H260 L304 W305 | L230-L256 HydrophobicContact CB-CD1 4.18Å; L230-L256 HydrophobicContact CD1-CB 3.67Å; L230-L256 HydrophobicContact CD1-CD1 3.85Å; L230-L256 HydrophobicContact CD1-CG 4.39Å; L230-L256 HydrophobicContact CD2-CB 3.76Å; L230-L256 HydrophobicContact CD2-CD1 3.99Å; L230-L256 HydrophobicContact CD2-CD2 4.42Å; L230-L256 HydrophobicContact CD2-CG 4.26Å; L230-L256 HydrophobicContact CG-CB 4.34Å; L230-L256 HydrophobicContact CG-CD1 4.22Å; L234-L256 HydrophobicContact CD1-CD2 3.66Å; L235-L256 HydrophobicContact CD1-CD1 3.66Å; T253-L256 PolarHBondContact O-N 3.16Å; M254-L256 VanDerWaalsContact C-N 3.34Å; L256-L259 HydrophobicContact CD2-CD1 4.05Å; L256-L259 PolarHBondContact O-N 2.88Å; L256-H260 PolarHBondContact O-N 3.28Å; L256-H260 VanDerWaalsContact O-N 3.13Å; L256-H260 PolarHBondContact O-ND1 3.09Å; L256-L304 HydrophobicContact CD2-CD2 4.46Å; L256-W305 HydrophobicContact CD1-CH2 4.24Å; L256-W305 HydrophobicContact CD2-CH2 4.27Å; L256-W305 HydrophobicContact CD2-CZ3 4.06Å; L256-W305 HydrophobicContact CG-CH2 3.99Å; L256-W305 HydrophobicContact CG-CZ3 4.26Å |
| 257 | T | 93.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -57.4 | -47.9 | 169.7 | -66.4 | 0 | 0 | 0 | 0 | 111.2 | V36 L222 T253 M254 L259 H260 T261 | V36-T257 HydrophobicContact CG1-CG2 3.83Å; L222-T257 HydrophobicContact CD2-CG2 4.15Å; L222-T257 WeakPolarHBondContact CD2-OG1 3.48Å; T253-T257 WeakPolarHBondContact O-CB 3.46Å; T253-T257 PolarHBondContact O-N 3.46Å; T253-T257 PolarHBondContact O-OG1 2.88Å; M254-T257 WeakPolarHBondContact O-CB 3.39Å; M254-T257 PolarHBondContact O-N 3.11Å; T257-L259 PolarHBondContact O-N 3.16Å; T257-H260 PolarHBondContact O-N 2.97Å; T257-T261 WeakPolarHBondContact O-CB 3.39Å; T257-T261 VanDerWaalsContact O-CG2 3.23Å; T257-T261 WeakPolarHBondContact O-CG2 3.36Å; T257-T261 PolarHBondContact O-N 3.16Å; T257-T261 PolarHBondContact O-OG1 3.28Å |
| 258 | A | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | V104 F127 M254 L255 H260 T261 C262 V265 | V104-A258 HydrophobicContact CG2-CB 3.39Å; F127-A258 HydrophobicContact CD2-CB 4.36Å; F127-A258 HydrophobicContact CE2-CB 4.29Å; F127-A258 HydrophobicContact CZ-CB 4.47Å; M254-A258 PolarHBondContact O-N 3.38Å; L255-A258 PolarHBondContact O-N 3.35Å; A258-H260 PolarHBondContact O-N 2.79Å; A258-T261 PolarHBondContact O-N 3.21Å; A258-T261 VanDerWaalsContact O-N 3.09Å; A258-T261 PolarHBondContact O-OG1 3.44Å; A258-C262 VanDerWaalsContact O-CB 3.31Å; A258-C262 WeakPolarHBondContact O-CB 3.44Å; A258-C262 PolarHBondContact O-N 3Å; A258-C262 PolarHBondContact O-SG 3.18Å; A258-V265 HydrophobicContact CB-CG1 4.18Å; A258-V265 HydrophobicContact CB-CG2 4.14Å |
| 259 | L | 93.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -61.5 | -26.8 | 177.4 | -74.3 | 167.2 | 0 | 0 | 0 | 113.5 | L16 L255 L256 T257 V265 L308 V313 L314 | L16-L259 VanDerWaalsContact CD1-O 3.24Å; L16-L259 WeakPolarHBondContact CD1-O 3.38Å; L16-L259 HydrophobicContact CD2-CD2 4.19Å; L255-L259 HydrophobicContact CG-CD1 4.39Å; L255-L259 WeakPolarHBondContact O-CG 3.4Å; L255-L259 PolarHBondContact O-N 3.43Å; L256-L259 HydrophobicContact CD2-CD1 4.05Å; L256-L259 PolarHBondContact O-N 2.88Å; T257-L259 PolarHBondContact O-N 3.16Å; L259-V265 HydrophobicContact CD2-CB 3.99Å; L259-V265 HydrophobicContact CD2-CG1 4.42Å; L259-V265 HydrophobicContact CD2-CG2 4.01Å; L259-V265 HydrophobicContact CG-CG2 4.41Å; L259-L308 HydrophobicContact CD1-CD1 3.77Å; L259-V313 HydrophobicContact CD2-CG1 4.01Å; L259-L314 HydrophobicContact CD2-CD1 4.48Å |
| 260 | H | 91.6 | Very high | 91.9 | Very high | 8 Ų | 8 | 6.9 Ų | 6.9 | 4% | 0.037 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -87.2 | -15.9 | 177.5 | -73.1 | 76 | 0 | 0 | 0 | 113.5 | R17 F30 V36 F226 Y229 L256 T257 A258 | R17-H260 PolarHBondContact NH2-O 2.82Å; F30-H260 AromaticContact CD1-CE1 3.67Å; F30-H260 AromaticContact CD1-NE2 3.66Å; F30-H260 AromaticContact CE1-CE1 3.68Å; V36-H260 HydrophobicContact CG2-CB 3.74Å; F226-H260 HydrophobicContact CE2-CB 4.19Å; F226-H260 AromaticContact CE2-CD2 3.79Å; F226-H260 AromaticContact CE2-CG 3.63Å; F226-H260 AromaticContact CE2-ND1 3.78Å; F226-H260 HydrophobicContact CZ-CB 4.17Å; F226-H260 AromaticContact CZ-CG 3.8Å; F226-H260 AromaticContact CZ-ND1 3.66Å; Y229-H260 AromaticContact CE1-CE1 3.86Å; Y229-H260 AromaticContact CE1-NE2 3.39Å; Y229-H260 WeakPolarHBondContact CE1-NE2 3.22Å; Y229-H260 AromaticContact CZ-NE2 3.79Å; Y229-H260 PolarHBondContact OH-NE2 2.98Å; L256-H260 PolarHBondContact O-N 3.28Å; L256-H260 VanDerWaalsContact O-N 3.13Å; L256-H260 PolarHBondContact O-ND1 3.09Å; T257-H260 PolarHBondContact O-N 2.97Å; A258-H260 PolarHBondContact O-N 2.79Å |
| 261 | T | 89.8 | Confident | 92.8 | Very high | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.012 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -118.8 | -34.2 | -165.8 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | R17 V36 C87 L91 T257 A258 | R17-T261 PolarHBondContact NH2-O 3.17Å; V36-T261 HydrophobicContact CB-CG2 4.31Å; V36-T261 HydrophobicContact CG1-CG2 4.1Å; V36-T261 HydrophobicContact CG2-CG2 4.04Å; C87-T261 HydrophobicContact CB-CG2 4Å; L91-T261 HydrophobicContact CD1-CG2 3.51Å; T257-T261 WeakPolarHBondContact O-CB 3.39Å; T257-T261 VanDerWaalsContact O-CG2 3.23Å; T257-T261 WeakPolarHBondContact O-CG2 3.36Å; T257-T261 PolarHBondContact O-N 3.16Å; T257-T261 PolarHBondContact O-OG1 3.28Å; A258-T261 PolarHBondContact O-N 3.21Å; A258-T261 VanDerWaalsContact O-N 3.09Å; A258-T261 PolarHBondContact O-OG1 3.44Å |
| 262 | C | 91.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 7.4 Ų | 7.4 | 0% | 0 | 4% | 0.041 | C | C | . | . | trans | -89.2 | 165.4 | 179.4 | -54.3 | 0 | 0 | 0 | 0 | 112.6 | L16 R17 C102 A258 V265 | L16-C262 WeakPolarHBondContact CD2-O 3.3Å; R17-C262 PolarHBondContact NH1-O 3.39Å; C102-C262 HydrophobicContact CB-CB 3.68Å; C102-C262 WeakPolarHBondContact CB-SG 3.45Å; C102-C262 WeakPolarHBondContact SG-CB 3.14Å; C102-C262 CovalentContact SG-SG 2.01Å; C102-C262 PolarHBondContact SG-SG 2.86Å; A258-C262 VanDerWaalsContact O-CB 3.31Å; A258-C262 WeakPolarHBondContact O-CB 3.44Å; A258-C262 PolarHBondContact O-N 3Å; A258-C262 PolarHBondContact O-SG 3.18Å; C262-V265 HydrophobicContact CB-CG2 3.84Å | ||
| 263 | D | 90.8 | Very high | 94.4 | Very high | 16 Ų | 16 | 15 Ų | 15 | 9% | 0.086 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -93.1 | -30.2 | 176.1 | -61.4 | -47.5 | 0 | 0 | 0 | 111.4 | S15 L16 R17 K88 V100 | S15-D263 CarbonylContact C-O 3.48Å; S15-D263 WeakPolarHBondContact CA-O 3.38Å; L16-D263 PolarHBondContact N-O 3.03Å; R17-D263 IonicContact NH1-OD1 2.77Å; R17-D263 PolarHBondContact NH1-OD1 3.17Å; K88-D263 IonicContact NZ-OD2 3.18Å; K88-D263 PolarHBondContact NZ-OD2 2.78Å; V100-D263 PolarHBondContact N-OD2 2.89Å; V100-D263 PolarHBondContact O-N 2.96Å |
| 264 | Q | 93.9 | Very high | 94.9 | Very high | 17 Ų | 17 | 16.7 Ų | 16.7 | 8% | 0.079 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 141.4 | 171.9 | -63.1 | 178.2 | 12.4 | 0 | 0 | 109.6 | P13 V100 R101 C102 | P13-Q264 PolarHBondContact O-NE2 3.26Å; V100-Q264 PolarHBondContact O-N 3.19Å; V100-Q264 VanDerWaalsContact O-N 3.11Å; R101-Q264 HydrophobicContact CG-CB 4.31Å; C102-Q264 PolarHBondContact N-O 2.99Å |
| 265 | V | 96.8 | Very high | 95 | Very high | 3 Ų | 3 | 20.2 Ų | 20.2 | 2% | 0.018 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 133.7 | -179.4 | -176.9 | 0 | 0 | 0 | 0 | 110.5 | L16 C102 V104 L255 A258 L259 C262 L314 R315 | L16-V265 HydrophobicContact CD2-CG2 3.9Å; C102-V265 CarbonylContact O-C 3.56Å; C102-V265 WeakPolarHBondContact O-CA 3.4Å; V104-V265 HydrophobicContact CG2-CG1 3.93Å; L255-V265 HydrophobicContact CD1-CG1 3.82Å; A258-V265 HydrophobicContact CB-CG1 4.18Å; A258-V265 HydrophobicContact CB-CG2 4.14Å; L259-V265 HydrophobicContact CD2-CB 3.99Å; L259-V265 HydrophobicContact CD2-CG1 4.42Å; L259-V265 HydrophobicContact CD2-CG2 4.01Å; L259-V265 HydrophobicContact CG-CG2 4.41Å; C262-V265 HydrophobicContact CB-CG2 3.84Å; V265-L314 HydrophobicContact CB-CD1 4.02Å; V265-L314 HydrophobicContact CG1-CD1 3.67Å; V265-R315 PolarHBondContact O-N 3.26Å |
| 266 | S | 98.5 | Very high | 94.9 | Very high | 8 Ų | 8 | 24 Ų | 24 | 6% | 0.056 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 130.1 | 168.6 | -55.5 | 0 | 0 | 0 | 0 | 109.4 | C102 A103 V104 H123 Y268 R315 | C102-S266 PolarHBondContact O-N 2.92Å; A103-S266 CarbonylContact C-O 3.58Å; A103-S266 WeakPolarHBondContact CA-O 2.99Å; V104-S266 PolarHBondContact N-O 3.02Å; H123-S266 VanDerWaalsContact NE2-CB 3.34Å; H123-S266 WeakPolarHBondContact NE2-CB 3.26Å; H123-S266 PolarHBondContact NE2-OG 3.36Å; S266-Y268 VanDerWaalsContact CB-CE2 3.46Å; S266-R315 CarbonylContact C-O 3.17Å; S266-R315 VanDerWaalsContact CA-O 3.24Å; S266-R315 WeakPolarHBondContact CA-O 3.5Å |
| 267 | A | 98.6 | Very high | 95 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 125.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L255 F270 L314 R315 L316 F317 | L255-A267 HydrophobicContact CD1-CB 3.97Å; L255-A267 HydrophobicContact CD2-CB 4.08Å; A267-F270 HydrophobicContact CB-CD2 3.72Å; A267-F270 HydrophobicContact CB-CE2 4.19Å; A267-F270 HydrophobicContact CB-CG 4.28Å; A267-L314 HydrophobicContact CB-CD1 3.81Å; A267-L314 HydrophobicContact CB-CD2 4.11Å; A267-L314 HydrophobicContact CB-CG 4.29Å; A267-R315 PolarHBondContact N-O 3.05Å; A267-L316 HydrophobicContact CB-CD1 3.91Å; A267-F317 WeakPolarHBondContact O-CB 3.46Å; A267-F317 PolarHBondContact O-N 3.32Å |
| 268 | Y | 98.7 | Very high | 95.1 | Very high | 21 Ų | 21 | 29 Ų | 29 | 8% | 0.082 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 135.7 | -179.8 | -65.8 | -88.2 | 0 | 0 | 0 | 109.2 | A103 V104 V105 G106 L111 Q116 I120 H123 S266 F270 F317 | A103-Y268 HydrophobicContact CB-CD2 4.12Å; A103-Y268 HydrophobicContact CB-CE2 3.94Å; V104-Y268 PolarHBondContact O-N 3.28Å; V105-Y268 CarbonylContact C-O 3.6Å; V105-Y268 WeakPolarHBondContact CA-O 2.98Å; G106-Y268 PolarHBondContact N-O 2.81Å; L111-Y268 HydrophobicContact CD2-CD1 4.49Å; Q116-Y268 HydrophobicContact CB-CD1 4.12Å; Q116-Y268 HydrophobicContact CB-CE1 4.15Å; Q116-Y268 HydrophobicContact CG-CD1 4.27Å; Q116-Y268 HydrophobicContact CG-CE1 4.26Å; I120-Y268 HydrophobicContact CD1-CD1 4.09Å; I120-Y268 HydrophobicContact CD1-CD2 4.45Å; I120-Y268 HydrophobicContact CD1-CG 4Å; I120-Y268 HydrophobicContact CG1-CD1 3.86Å; I120-Y268 HydrophobicContact CG1-CD2 3.75Å; I120-Y268 HydrophobicContact CG1-CE1 3.99Å; I120-Y268 HydrophobicContact CG1-CE2 3.87Å; I120-Y268 HydrophobicContact CG1-CG 3.74Å; H123-Y268 AromaticContact CE1-CE2 3.98Å; H123-Y268 PolarHBondContact CE1-OH 2.95Å; S266-Y268 VanDerWaalsContact CB-CE2 3.46Å; Y268-F270 VanDerWaalsContact C-N 3.28Å; Y268-F270 VanDerWaalsContact O-CD2 3.29Å; Y268-F270 WeakPolarHBondContact O-CD2 3Å; Y268-F270 PolarHBondContact O-N 3.46Å; Y268-F317 HydrophobicContact CD1-CB 3.72Å; Y268-F317 HydrophobicContact CD1-CD2 4.39Å; Y268-F317 AromaticContact CD1-CG 3.98Å; Y268-F317 HydrophobicContact CD1-CG 3.98Å; Y268-F317 HydrophobicContact CE1-CB 4.14Å; Y268-F317 HydrophobicContact CE1-CD2 4.39Å; Y268-F317 HydrophobicContact CE1-CG 4.38Å; Y268-F317 HydrophobicContact CG-CB 4.37Å |
| 269 | G | 97.6 | Very high | 95.1 | Very high | 5 Ų | 5 | 30 Ų | 30 | 5% | 0.052 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 71.5 | 20.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115 | G106 G108 | G106-G269 CarbonylContact C-O 3.58Å; G108-G269 WeakPolarHBondContact CA-O 3.36Å; G108-G269 PolarHBondContact N-O 2.86Å |
| 270 | F | 97.2 | Very high | 95.1 | Very high | 14 Ų | 14 | 31.6 Ų | 31.6 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | trans | -91.3 | 157.2 | 171.5 | -76.3 | -97.5 | 0 | 0 | 0 | 110.5 | V104 M129 L255 A267 Y268 T272 W305 L316 | V104-F270 HydrophobicContact CB-CE2 4.14Å; V104-F270 HydrophobicContact CB-CZ 4.41Å; V104-F270 HydrophobicContact CG1-CE2 3.79Å; V104-F270 HydrophobicContact CG1-CZ 3.65Å; V104-F270 WeakPolarHBondContact O-CE2 3.21Å; M129-F270 HydrophobicContact CE-CZ 3.93Å; L255-F270 HydrophobicContact CB-CE1 3.72Å; L255-F270 HydrophobicContact CB-CZ 3.69Å; L255-F270 HydrophobicContact CD1-CZ 4.49Å; L255-F270 HydrophobicContact CD2-CD1 3.72Å; L255-F270 HydrophobicContact CD2-CD2 4.4Å; L255-F270 HydrophobicContact CD2-CE1 3.61Å; L255-F270 HydrophobicContact CD2-CE2 4.3Å; L255-F270 HydrophobicContact CD2-CG 4.14Å; L255-F270 HydrophobicContact CD2-CZ 3.93Å; L255-F270 HydrophobicContact CG-CE1 4.25Å; L255-F270 HydrophobicContact CG-CZ 4.25Å; A267-F270 HydrophobicContact CB-CD2 3.72Å; A267-F270 HydrophobicContact CB-CE2 4.19Å; A267-F270 HydrophobicContact CB-CG 4.28Å; Y268-F270 VanDerWaalsContact C-N 3.28Å; Y268-F270 VanDerWaalsContact O-CD2 3.29Å; Y268-F270 WeakPolarHBondContact O-CD2 3Å; Y268-F270 PolarHBondContact O-N 3.46Å; F270-T272 PolarHBondContact O-N 3.16Å; F270-W305 AromaticContact CD1-NE1 3.88Å; F270-L316 HydrophobicContact CB-CD1 4.11Å | ||
| 271 | I | 95.8 | Very high | 95.3 | Very high | 25 Ų | 25 | 32.4 Ų | 32.4 | 13% | 0.128 | 16% | 0.164 | C | C | . | . | trans | -59.2 | 130.4 | 179.6 | -169.9 | 175.3 | 0 | 0 | 0 | 111.2 | Y275 L290 F292 L298 | I271-Y275 HydrophobicContact CD1-CD1 4.06Å; I271-Y275 HydrophobicContact CD1-CG 4.17Å; I271-Y275 HydrophobicContact CG1-CD1 4.06Å; I271-Y275 HydrophobicContact CG1-CG 4.01Å; I271-L290 HydrophobicContact CD1-CD2 3.73Å; I271-L290 HydrophobicContact CG1-CD2 4.26Å; I271-F292 HydrophobicContact CD1-CE1 4.03Å; I271-F292 HydrophobicContact CD1-CZ 4.23Å; I271-L298 HydrophobicContact CD1-CB 3.85Å; I271-L298 WeakPolarHBondContact CG2-O 3.48Å | ||
| 272 | T | 96.4 | Very high | 95.6 | Very high | 8 Ų | 8 | 32.3 Ų | 32.3 | 5% | 0.049 | 16% | 0.163 | C | C | . | . | trans | -120 | 170.8 | 175.4 | 59.1 | 0 | 0 | 0 | 0 | 109.8 | I110 F270 N274 Y275 L316 Q318 | I110-T272 HydrophobicContact CD1-CG2 3.95Å; F270-T272 PolarHBondContact O-N 3.16Å; T272-N274 PolarHBondContact O-N 2.87Å; T272-N274 VanDerWaalsContact O-N 3.14Å; T272-N274 PolarHBondContact OG1-OD1 3.3Å; T272-Y275 WeakPolarHBondContact O-CB 3.3Å; T272-Y275 WeakPolarHBondContact O-CD1 3.33Å; T272-Y275 PolarHBondContact O-N 3.31Å; T272-Y275 VanDerWaalsContact O-N 3.08Å; T272-L316 HydrophobicContact CG2-CD2 4.35Å; T272-L316 HydrophobicContact CG2-CG 4.5Å; T272-Q318 HydrophobicContact CG2-CG 3.95Å | ||
| 273 | R | 94.9 | Very high | 95.7 | Very high | 183 Ų | 183 | 32.8 Ų | 32.8 | 69% | 0.691 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | -34.6 | 178.9 | -71.3 | -173 | 176.8 | 177.3 | 7.6 | 113.5 | E306 | R273-E306 VanDerWaalsContact CZ-CD 3.44Å; R273-E306 IonicContact CZ-OE1 2.82Å; R273-E306 IonicContact CZ-OE2 2.81Å; R273-E306 IonicContact NE-OE1 3.93Å; R273-E306 PolarHBondContact NE-OE1 2.87Å; R273-E306 IonicContact NE-OE2 2.91Å; R273-E306 PolarHBondContact NE-OE2 3.31Å; R273-E306 IonicContact NH1-OE1 2.69Å; R273-E306 IonicContact NH2-OE1 3.81Å; R273-E306 PolarHBondContact NH2-OE1 3.11Å; R273-E306 IonicContact NH2-OE2 3.71Å; R273-E306 PolarHBondContact NH2-OE2 2.79Å |
| 274 | N | 95.1 | Very high | 95.8 | Very high | 40 Ų | 40 | 32 Ų | 32 | 21% | 0.214 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 29.6 | -178.5 | 72.9 | -40.2 | 0 | 0 | 0 | 113.1 | T272 A276 D277 F278 R319 | T272-N274 PolarHBondContact O-N 2.87Å; T272-N274 VanDerWaalsContact O-N 3.14Å; T272-N274 PolarHBondContact OG1-OD1 3.3Å; N274-A276 PolarHBondContact O-N 3.27Å; N274-A276 VanDerWaalsContact O-N 3.09Å; N274-D277 WeakPolarHBondContact CB-OD2 3.31Å; N274-D277 PolarHBondContact ND2-OD2 2.96Å; N274-D277 WeakPolarHBondContact O-CB 3.21Å; N274-D277 PolarHBondContact O-N 2.89Å; N274-F278 WeakPolarHBondContact ND2-CE2 3.36Å; N274-F278 WeakPolarHBondContact O-CD2 3.34Å; N274-F278 WeakPolarHBondContact O-CE2 3.47Å; N274-R319 PolarHBondContact ND2-O 3.11Å |
| 275 | Y | 94.8 | Very high | 95.6 | Very high | 75 Ų | 75 | 35.9 Ų | 35.9 | 29% | 0.294 | 19% | 0.19 | S | C | . | . | G | 310 helix | trans | -53.6 | -31.9 | 179 | 72.9 | -89.5 | 0 | 0 | 0 | 113 | I271 T272 D277 F278 L290 F292 | I271-Y275 HydrophobicContact CD1-CD1 4.06Å; I271-Y275 HydrophobicContact CD1-CG 4.17Å; I271-Y275 HydrophobicContact CG1-CD1 4.06Å; I271-Y275 HydrophobicContact CG1-CG 4.01Å; T272-Y275 WeakPolarHBondContact O-CB 3.3Å; T272-Y275 WeakPolarHBondContact O-CD1 3.33Å; T272-Y275 PolarHBondContact O-N 3.31Å; T272-Y275 VanDerWaalsContact O-N 3.08Å; Y275-D277 PolarHBondContact O-N 3.29Å; Y275-F278 PolarHBondContact O-N 3.03Å; Y275-F278 VanDerWaalsContact O-N 3.13Å; Y275-L290 HydrophobicContact CD2-CB 3.94Å; Y275-L290 HydrophobicContact CD2-CD2 3.61Å; Y275-L290 HydrophobicContact CD2-CG 4.39Å; Y275-L290 HydrophobicContact CE2-CB 4.18Å; Y275-L290 HydrophobicContact CE2-CD2 4.08Å; Y275-L290 HydrophobicContact CG-CD2 4.16Å; Y275-F292 HydrophobicContact CD2-CZ 4.48Å; Y275-F292 HydrophobicContact CE1-CZ 4.09Å; Y275-F292 AromaticContact CE2-CE2 3.8Å; Y275-F292 HydrophobicContact CE2-CE2 3.8Å; Y275-F292 AromaticContact CE2-CZ 3.71Å; Y275-F292 HydrophobicContact CE2-CZ 3.71Å; Y275-F292 AromaticContact CZ-CE2 3.76Å; Y275-F292 AromaticContact CZ-CZ 3.49Å; Y275-F292 VanDerWaalsContact CZ-CZ 3.49Å; Y275-F292 WeakPolarHBondContact OH-CE2 3.02Å; Y275-F292 WeakPolarHBondContact OH-CZ 3.03Å |
| 276 | A | 95.3 | Very high | 95.3 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 65% | 0.645 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -66.5 | -14.9 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N274 F278 | N274-A276 PolarHBondContact O-N 3.27Å; N274-A276 VanDerWaalsContact O-N 3.09Å; A276-F278 PolarHBondContact O-N 3.49Å |
| 277 | D | 95.4 | Very high | 95.1 | Very high | 77 Ų | 77 | 44.9 Ų | 44.9 | 41% | 0.412 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -74.9 | -11.4 | 174.7 | -66 | -17.3 | 0 | 0 | 0 | 112.6 | N274 Y275 | N274-D277 WeakPolarHBondContact CB-OD2 3.31Å; N274-D277 PolarHBondContact ND2-OD2 2.96Å; N274-D277 WeakPolarHBondContact O-CB 3.21Å; N274-D277 PolarHBondContact O-N 2.89Å; Y275-D277 PolarHBondContact O-N 3.29Å |
| 278 | F | 95.8 | Very high | 94.8 | Very high | 30 Ų | 30 | 50 Ų | 50 | 13% | 0.132 | 27% | 0.266 | C | S | . | . | S | Bend | trans | -123.9 | 163.3 | -172.7 | -50.1 | -77.1 | 0 | 0 | 0 | 111.5 | I110 N274 Y275 A276 R319 | I110-F278 HydrophobicContact CB-CD1 4.44Å; I110-F278 HydrophobicContact CB-CD2 3.89Å; I110-F278 HydrophobicContact CB-CE2 4.02Å; I110-F278 HydrophobicContact CB-CG 4.11Å; I110-F278 HydrophobicContact CB-CZ 4.38Å; I110-F278 HydrophobicContact CD1-CD2 4.48Å; I110-F278 HydrophobicContact CD1-CE2 3.86Å; I110-F278 HydrophobicContact CD1-CZ 4.22Å; I110-F278 HydrophobicContact CG1-CD2 4.09Å; I110-F278 HydrophobicContact CG1-CE1 4.22Å; I110-F278 HydrophobicContact CG1-CE2 3.68Å; I110-F278 HydrophobicContact CG1-CZ 3.76Å; N274-F278 WeakPolarHBondContact ND2-CE2 3.36Å; N274-F278 WeakPolarHBondContact O-CD2 3.34Å; N274-F278 WeakPolarHBondContact O-CE2 3.47Å; Y275-F278 PolarHBondContact O-N 3.03Å; Y275-F278 VanDerWaalsContact O-N 3.13Å; A276-F278 PolarHBondContact O-N 3.49Å; F278-R319 HydrophobicContact CE1-CG 4.48Å; F278-R319 HydrophobicContact CZ-CG 4.09Å |
| 279 | S | 95.6 | Very high | 94.6 | Very high | 20 Ų | 20 | 53.9 Ų | 53.9 | 14% | 0.14 | 29% | 0.294 | C | S | . | . | trans | -65.8 | 163.5 | 168.4 | -159.3 | 0 | 0 | 0 | 0 | 111 | G109 D284 P287 R288 | G109-S279 WeakPolarHBondContact CA-O 3.3Å; G109-S279 PolarHBondContact N-O 2.65Å; S279-D284 WeakPolarHBondContact OG-CB 3.09Å; S279-D284 PolarHBondContact OG-OD2 3.43Å; S279-P287 WeakPolarHBondContact OG-CA 3.28Å; S279-R288 CarbonylContact C-O 3.58Å; S279-R288 WeakPolarHBondContact CA-O 3.39Å; S279-R288 PolarHBondContact OG-N 3.23Å; S279-R288 PolarHBondContact OG-O 3.21Å | ||
| 280 | D | 94.1 | Very high | 94.3 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 18% | 0.176 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -51.6 | -57.5 | 171.2 | -170.4 | 13 | 0 | 0 | 0 | 110.1 | G108 G109 R288 L290 | G108-D280 WeakPolarHBondContact CA-O 3.17Å; G109-D280 PolarHBondContact N-O 2.83Å; G109-D280 VanDerWaalsContact N-O 3.09Å; D280-R288 HydrophobicContact CB-CB 4.2Å; D280-R288 PolarHBondContact N-O 2.61Å; D280-L290 WeakPolarHBondContact OD1-CD1 3.4Å |
| 281 | H | 95 | Very high | 93.8 | Very high | 25 Ų | 25 | 62.9 Ų | 62.9 | 12% | 0.116 | 33% | 0.329 | C | S | . | . | B | Isolated β-bridge | trans | -115.4 | 151.4 | 177.7 | -55.2 | 94.5 | 0 | 0 | 0 | 113.6 | N107 Y158 Y283 D284 | N107-H281 WeakPolarHBondContact O-CA 3.39Å; Y158-H281 AromaticContact CE1-NE2 3.91Å; H281-Y283 HydrophobicContact CB-CD1 4.12Å; H281-Y283 HydrophobicContact CB-CD2 3.96Å; H281-Y283 HydrophobicContact CB-CE1 3.78Å; H281-Y283 HydrophobicContact CB-CE2 3.58Å; H281-Y283 HydrophobicContact CB-CG 4.23Å; H281-Y283 AromaticContact CD2-CZ 3.68Å; H281-Y283 PolarHBondContact CD2-OH 3.13Å; H281-Y283 AromaticContact CG-CE2 3.83Å; H281-Y283 AromaticContact CG-CZ 3.55Å; H281-Y283 PolarHBondContact O-N 3.13Å; H281-D284 PolarHBondContact N-OD2 3.37Å; H281-D284 IonicContact ND1-OD1 3.27Å; H281-D284 PolarHBondContact O-N 3.04Å |
| 282 | Y | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.6 | 177.9 | 61 | -104.5 | 0 | 0 | 0 | 113.4 | N107 L111 R112 V133 F137 V141 | N107-Y282 HydrophobicContact CB-CE1 4.24Å; N107-Y282 VanDerWaalsContact O-CD1 3.25Å; N107-Y282 WeakPolarHBondContact O-CD1 2.92Å; N107-Y282 PolarHBondContact O-N 3.24Å; N107-Y282 VanDerWaalsContact O-N 3.13Å; L111-Y282 HydrophobicContact CB-CD1 4.1Å; L111-Y282 HydrophobicContact CB-CG 4.23Å; L111-Y282 HydrophobicContact CD1-CD1 4.05Å; L111-Y282 HydrophobicContact CD1-CE1 4.31Å; R112-Y282 WeakPolarHBondContact CD-O 3.5Å; V133-Y282 HydrophobicContact CB-CE2 4.39Å; V133-Y282 PolarHBondContact N-OH 2.82Å; V133-Y282 VanDerWaalsContact N-OH 3.16Å; V133-Y282 WeakPolarHBondContact O-CE2 3.43Å; V133-Y282 PolarHBondContact O-OH 3.04Å; F137-Y282 HydrophobicContact CB-CD2 4.25Å; F137-Y282 HydrophobicContact CB-CE2 4.11Å; F137-Y282 AromaticContact CD1-CD2 3.92Å; F137-Y282 HydrophobicContact CD1-CD2 3.92Å; F137-Y282 HydrophobicContact CD2-CD2 4.49Å; F137-Y282 HydrophobicContact CD2-CE2 4.4Å; F137-Y282 HydrophobicContact CE1-CD2 4.45Å; F137-Y282 VanDerWaalsContact CE1-O 3.27Å; F137-Y282 WeakPolarHBondContact CE1-O 3.39Å; F137-Y282 AromaticContact CG-CD2 3.95Å; F137-Y282 HydrophobicContact CG-CD2 3.95Å; F137-Y282 HydrophobicContact CG-CE2 4.09Å; V141-Y282 HydrophobicContact CG1-CD1 4.15Å; V141-Y282 HydrophobicContact CG1-CD2 4Å; V141-Y282 HydrophobicContact CG1-CE1 3.95Å; V141-Y282 HydrophobicContact CG1-CE2 3.81Å; V141-Y282 HydrophobicContact CG1-CG 4.19Å; V141-Y282 HydrophobicContact CG2-CE2 4.4Å |
| 283 | Y | 94.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 71.1 Ų | 71.1 | 4% | 0.043 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 1 | -179.6 | 52.4 | -102.8 | 0 | 0 | 0 | 114.4 | N107 G131 V133 F137 Y158 D161 H281 S285 | N107-Y283 HydrophobicContact CB-CE1 4.18Å; G131-Y283 WeakPolarHBondContact O-CE1 3.22Å; G131-Y283 PolarHBondContact O-OH 2.85Å; V133-Y283 HydrophobicContact CB-CD1 3.65Å; V133-Y283 HydrophobicContact CB-CE1 4.28Å; V133-Y283 HydrophobicContact CB-CG 3.9Å; V133-Y283 HydrophobicContact CG2-CD1 3.58Å; V133-Y283 HydrophobicContact CG2-CD2 4.05Å; V133-Y283 HydrophobicContact CG2-CE1 3.85Å; V133-Y283 HydrophobicContact CG2-CE2 4.3Å; V133-Y283 HydrophobicContact CG2-CG 3.68Å; F137-Y283 VanDerWaalsContact CZ-CA 3.46Å; Y158-Y283 WeakPolarHBondContact CD1-OH 3.25Å; D161-Y283 HydrophobicContact CB-CD2 3.86Å; D161-Y283 HydrophobicContact CB-CE2 3.63Å; D161-Y283 WeakPolarHBondContact O-CD2 3.46Å; H281-Y283 HydrophobicContact CB-CD1 4.12Å; H281-Y283 HydrophobicContact CB-CD2 3.96Å; H281-Y283 HydrophobicContact CB-CE1 3.78Å; H281-Y283 HydrophobicContact CB-CE2 3.58Å; H281-Y283 HydrophobicContact CB-CG 4.23Å; H281-Y283 AromaticContact CD2-CZ 3.68Å; H281-Y283 PolarHBondContact CD2-OH 3.13Å; H281-Y283 AromaticContact CG-CE2 3.83Å; H281-Y283 AromaticContact CG-CZ 3.55Å; H281-Y283 PolarHBondContact O-N 3.13Å; Y283-S285 PolarHBondContact O-N 3.37Å; Y283-S285 VanDerWaalsContact O-N 3.15Å |
| 284 | D | 92.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.35 | C | S | . | . | trans | -60.8 | 119.4 | 178.9 | -75.8 | -31.3 | 0 | 0 | 0 | 110.7 | R112 S279 H281 V286 | R112-D284 PolarHBondContact NH1-O 2.84Å; S279-D284 WeakPolarHBondContact OG-CB 3.09Å; S279-D284 PolarHBondContact OG-OD2 3.43Å; H281-D284 PolarHBondContact N-OD2 3.37Å; H281-D284 IonicContact ND1-OD1 3.27Å; H281-D284 PolarHBondContact O-N 3.04Å; D284-V286 PolarHBondContact O-N 3.45Å | ||
| 285 | S | 90.4 | Very high | 90.5 | Very high | 98 Ų | 98 | 65.8 Ų | 65.8 | 69% | 0.685 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -63.4 | -32.5 | 178.2 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | Y283 | Y283-S285 PolarHBondContact O-N 3.37Å; Y283-S285 VanDerWaalsContact O-N 3.15Å |
| 286 | V | 90.8 | Very high | 89.9 | Confident | 93 Ų | 93 | 64.6 Ų | 64.6 | 56% | 0.564 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -121.9 | 132.3 | 175.2 | 179.3 | 0 | 0 | 0 | 0 | 108.3 | D284 R288 | D284-V286 PolarHBondContact O-N 3.45Å; V286-R288 WeakPolarHBondContact O-CG 3.37Å; V286-R288 PolarHBondContact O-N 3.3Å |
| 287 | P | 92.3 | Very high | 89.6 | Confident | 106 Ų | 106 | 62.2 Ų | 62.2 | 69% | 0.688 | 33% | 0.329 | S | S | * | . | trans | -53.9 | 130.5 | 179 | -27 | 34.9 | 0 | 0 | 0 | 113 | S279 | S279-P287 WeakPolarHBondContact OG-CA 3.28Š| ||
| 288 | R | 93.1 | Very high | 89.4 | Confident | 108 Ų | 108 | 60 Ų | 60 | 41% | 0.408 | 32% | 0.316 | S | S | . | . | trans | -124.9 | 140.4 | 177.9 | -64 | 176.8 | -174.4 | 174.1 | 7.3 | 109.7 | D161 S279 D280 V286 | D161-R288 IonicContact OD1-CZ 2.89Å; D161-R288 IonicContact OD1-NH1 3.99Å; D161-R288 PolarHBondContact OD1-NH1 2.89Å; D161-R288 IonicContact OD1-NH2 3.75Å; D161-R288 PolarHBondContact OD1-NH2 3.06Å; D161-R288 IonicContact OD2-NH1 3.21Å; S279-R288 CarbonylContact C-O 3.58Å; S279-R288 WeakPolarHBondContact CA-O 3.39Å; S279-R288 PolarHBondContact OG-N 3.23Å; S279-R288 PolarHBondContact OG-O 3.21Å; D280-R288 HydrophobicContact CB-CB 4.2Å; D280-R288 PolarHBondContact N-O 2.61Å; V286-R288 WeakPolarHBondContact O-CG 3.37Å; V286-R288 PolarHBondContact O-N 3.3Å | ||
| 289 | P | 94.1 | Very high | 89.2 | Confident | 103 Ų | 103 | 65 Ų | 65 | 67% | 0.669 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 142.1 | 172.6 | 30 | -33.7 | 0 | 0 | 0 | 110.7 | R291 | P289-R291 PolarHBondContact O-N 3.29Š|
| 290 | L | 91.4 | Very high | 89.1 | Confident | 42 Ų | 42 | 66.8 Ų | 66.8 | 22% | 0.22 | 35% | 0.347 | C | S | . | . | P | Polyproline II helix | trans | -58.3 | 125 | 171.2 | 177.1 | 63.7 | 0 | 0 | 0 | 110.2 | I271 Y275 D280 F292 L298 | I271-L290 HydrophobicContact CD1-CD2 3.73Å; I271-L290 HydrophobicContact CG1-CD2 4.26Å; Y275-L290 HydrophobicContact CD2-CB 3.94Å; Y275-L290 HydrophobicContact CD2-CD2 3.61Å; Y275-L290 HydrophobicContact CD2-CG 4.39Å; Y275-L290 HydrophobicContact CE2-CB 4.18Å; Y275-L290 HydrophobicContact CE2-CD2 4.08Å; Y275-L290 HydrophobicContact CG-CD2 4.16Å; D280-L290 WeakPolarHBondContact OD1-CD1 3.4Å; L290-F292 HydrophobicContact CD2-CE1 4.32Å; L290-F292 HydrophobicContact CD2-CE2 4.45Å; L290-F292 HydrophobicContact CD2-CZ 3.96Å; L290-F292 HydrophobicContact CG-CE2 4.5Å; L290-F292 HydrophobicContact CG-CZ 4.45Å; L290-L298 HydrophobicContact CD1-CD1 3.95Å; L290-L298 HydrophobicContact CD2-CD1 4.08Å; L290-L298 HydrophobicContact CG-CD1 4.26Å |
| 291 | R | 86.8 | Confident | 89.1 | Confident | 166 Ų | 166 | 65.3 Ų | 65.3 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | P | Polyproline II helix | trans | -96.3 | 125.5 | 177 | -67.6 | -174.4 | 179.5 | -170.7 | 0.7 | 110.8 | P289 F293 | P289-R291 PolarHBondContact O-N 3.29Å; R291-F293 HydrophobicContact CB-CD2 4.05Å; R291-F293 HydrophobicContact CB-CE2 3.52Å; R291-F293 HydrophobicContact CB-CZ 3.81Å; R291-F293 HydrophobicContact CG-CZ 4.47Å; R291-F293 WeakPolarHBondContact O-CD2 3.37Å; R291-F293 PolarHBondContact O-N 3.33Å |
| 292 | F | 85.7 | Confident | 89.1 | Confident | 84 Ų | 84 | 64.8 Ų | 64.8 | 37% | 0.368 | 34% | 0.34 | S | S | . | . | trans | -86.5 | 94.5 | 175.2 | -64.9 | -89.3 | 0 | 0 | 0 | 110 | I271 Y275 L290 L298 Q299 | I271-F292 HydrophobicContact CD1-CE1 4.03Å; I271-F292 HydrophobicContact CD1-CZ 4.23Å; Y275-F292 HydrophobicContact CD2-CZ 4.48Å; Y275-F292 HydrophobicContact CE1-CZ 4.09Å; Y275-F292 AromaticContact CE2-CE2 3.8Å; Y275-F292 HydrophobicContact CE2-CE2 3.8Å; Y275-F292 AromaticContact CE2-CZ 3.71Å; Y275-F292 HydrophobicContact CE2-CZ 3.71Å; Y275-F292 AromaticContact CZ-CE2 3.76Å; Y275-F292 AromaticContact CZ-CZ 3.49Å; Y275-F292 VanDerWaalsContact CZ-CZ 3.49Å; Y275-F292 WeakPolarHBondContact OH-CE2 3.02Å; Y275-F292 WeakPolarHBondContact OH-CZ 3.03Å; L290-F292 HydrophobicContact CD2-CE1 4.32Å; L290-F292 HydrophobicContact CD2-CE2 4.45Å; L290-F292 HydrophobicContact CD2-CZ 3.96Å; L290-F292 HydrophobicContact CG-CE2 4.5Å; L290-F292 HydrophobicContact CG-CZ 4.45Å; F292-L298 HydrophobicContact CD1-CB 3.9Å; F292-L298 HydrophobicContact CD1-CD1 4.25Å; F292-L298 HydrophobicContact CD1-CG 4.49Å; F292-L298 HydrophobicContact CE1-CB 3.76Å; F292-L298 HydrophobicContact CE1-CD1 4.4Å; F292-Q299 HydrophobicContact CD1-CG 4.3Å; F292-Q299 HydrophobicContact CE1-CG 3.78Å; F292-Q299 HydrophobicContact CZ-CG 4.42Å | ||
| 293 | F | 78.8 | Confident | 89.1 | Confident | 122 Ų | 122 | 66.6 Ų | 66.6 | 54% | 0.535 | 36% | 0.359 | S | S | . | . | trans | -87.5 | 145.3 | 175.6 | -64.7 | -78.3 | 0 | 0 | 0 | 111 | R291 N295 H296 | R291-F293 HydrophobicContact CB-CD2 4.05Å; R291-F293 HydrophobicContact CB-CE2 3.52Å; R291-F293 HydrophobicContact CB-CZ 3.81Å; R291-F293 HydrophobicContact CG-CZ 4.47Å; R291-F293 WeakPolarHBondContact O-CD2 3.37Å; R291-F293 PolarHBondContact O-N 3.33Å; F293-N295 WeakPolarHBondContact CB-OD1 3.32Å; F293-N295 PolarHBondContact O-N 3.29Å; F293-N295 PolarHBondContact O-OD1 3.4Å; F293-H296 PolarHBondContact O-N 2.86Å | ||
| 294 | A | 75.2 | Confident | 89.2 | Confident | 49 Ų | 49 | 67.4 Ų | 67.4 | 41% | 0.405 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -6.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A245 H296 | A245-A294 HydrophobicContact CB-CB 3.97Å; A294-H296 VanDerWaalsContact C-N 3.32Å |
| 295 | N | 73.4 | Confident | 89.5 | Confident | 61 Ų | 61 | 67.4 Ų | 67.4 | 33% | 0.326 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -15.3 | 171.9 | 63.1 | -43.4 | 0 | 0 | 0 | 113.1 | L248 Y249 M250 F293 | L248-N295 HydrophobicContact CB-CB 4.4Å; L248-N295 WeakPolarHBondContact O-CA 3.49Å; L248-N295 WeakPolarHBondContact O-CB 3.46Å; Y249-N295 CarbonylContact C-O 3.59Å; Y249-N295 WeakPolarHBondContact CA-O 3.39Å; M250-N295 PolarHBondContact N-O 2.79Å; M250-N295 VanDerWaalsContact O-O 3.07Å; F293-N295 WeakPolarHBondContact CB-OD1 3.32Å; F293-N295 PolarHBondContact O-N 3.29Å; F293-N295 PolarHBondContact O-OD1 3.4Å |
| 296 | H | 81.8 | Confident | 89.8 | Confident | 50 Ų | 50 | 64.2 Ų | 64.2 | 23% | 0.231 | 34% | 0.338 | C | S | . | . | trans | -138.5 | 139.6 | 176.4 | -66.5 | -78.8 | 0 | 0 | 0 | 111.6 | M250 F293 A294 L298 E301 | M250-H296 PolarHBondContact O-CE1 3.07Å; M250-H296 PolarHBondContact O-ND1 2.48Å; F293-H296 PolarHBondContact O-N 2.86Å; A294-H296 VanDerWaalsContact C-N 3.32Å; H296-L298 HydrophobicContact CB-CD2 3.96Å; H296-L298 HydrophobicContact CB-CG 4.07Å; H296-L298 PolarHBondContact O-N 3.29Å; H296-E301 IonicContact ND1-OE1 3.48Å | ||
| 297 | D | 89.3 | Confident | 90 | Very high | 29 Ų | 29 | 60.9 Ų | 60.9 | 16% | 0.155 | 32% | 0.321 | C | S | . | . | trans | -97.1 | 75.9 | 168.9 | -168.1 | -24.8 | 0 | 0 | 0 | 109.4 | S237 L239 Y249 Q299 M300 E301 | S237-D297 WeakPolarHBondContact CB-OD2 2.83Å; S237-D297 WeakPolarHBondContact OG-CB 2.9Å; S237-D297 PolarHBondContact OG-OD2 3.16Å; L239-D297 HydrophobicContact CD1-CB 4.22Å; Y249-D297 HydrophobicContact CE2-CB 3.9Å; D297-Q299 PolarHBondContact O-N 2.88Å; D297-M300 HydrophobicContact CB-CB 4.02Å; D297-M300 VanDerWaalsContact CG-CB 3.41Å; D297-M300 PolarHBondContact O-N 3.4Å; D297-M300 WeakPolarHBondContact OD1-CB 3.25Å; D297-M300 PolarHBondContact OD1-N 3.45Å; D297-E301 WeakPolarHBondContact O-CG 3.39Å; D297-E301 PolarHBondContact O-N 2.94Å | ||
| 298 | L | 90.7 | Very high | 90.2 | Very high | 30 Ų | 30 | 55.9 Ų | 55.9 | 16% | 0.157 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.6 | -25.4 | -174.2 | -63.7 | 176.7 | 0 | 0 | 0 | 112.6 | I271 L290 F292 H296 G302 | I271-L298 HydrophobicContact CD1-CB 3.85Å; I271-L298 WeakPolarHBondContact CG2-O 3.48Å; L290-L298 HydrophobicContact CD1-CD1 3.95Å; L290-L298 HydrophobicContact CD2-CD1 4.08Å; L290-L298 HydrophobicContact CG-CD1 4.26Å; F292-L298 HydrophobicContact CD1-CB 3.9Å; F292-L298 HydrophobicContact CD1-CD1 4.25Å; F292-L298 HydrophobicContact CD1-CG 4.49Å; F292-L298 HydrophobicContact CE1-CB 3.76Å; F292-L298 HydrophobicContact CE1-CD1 4.4Å; H296-L298 HydrophobicContact CB-CD2 3.96Å; H296-L298 HydrophobicContact CB-CG 4.07Å; H296-L298 PolarHBondContact O-N 3.29Å; L298-G302 PolarHBondContact O-N 3.4Å |
| 299 | Q | 91.9 | Very high | 90.4 | Very high | 134 Ų | 134 | 53.8 Ų | 53.8 | 63% | 0.626 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -71 | -46.8 | 176 | -66.4 | -173.4 | -7.6 | 0 | 0 | 111.1 | F292 D297 E301 G302 G303 | F292-Q299 HydrophobicContact CD1-CG 4.3Å; F292-Q299 HydrophobicContact CE1-CG 3.78Å; F292-Q299 HydrophobicContact CZ-CG 4.42Å; D297-Q299 PolarHBondContact O-N 2.88Å; Q299-E301 VanDerWaalsContact C-N 3.3Å; Q299-E301 PolarHBondContact O-N 2.93Å; Q299-G302 PolarHBondContact O-N 2.9Å; Q299-G303 PolarHBondContact O-N 3.16Å |
| 300 | M | 93.4 | Very high | 90.5 | Very high | 59 Ų | 59 | 56.7 Ų | 56.7 | 29% | 0.291 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.3 | -43.6 | 173.2 | -179.7 | 173.3 | -66.4 | 0 | 0 | 111.4 | L235 T236 D297 G303 L304 | L235-M300 HydrophobicContact CD2-CG 3.91Å; L235-M300 HydrophobicContact CD2-SD 4.42Å; T236-M300 WeakPolarHBondContact O-CE 3.16Å; D297-M300 HydrophobicContact CB-CB 4.02Å; D297-M300 VanDerWaalsContact CG-CB 3.41Å; D297-M300 PolarHBondContact O-N 3.4Å; D297-M300 WeakPolarHBondContact OD1-CB 3.25Å; D297-M300 PolarHBondContact OD1-N 3.45Å; M300-G303 PolarHBondContact O-N 3.23Å; M300-L304 PolarHBondContact O-N 2.7Å |
| 301 | E | 94.9 | Very high | 90.7 | Very high | 2 Ų | 2 | 59.6 Ų | 59.6 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -49.2 | 175.8 | -73 | -172.1 | -165.1 | 0 | 0 | 112 | L235 P251 S252 H296 D297 Q299 G303 L304 W305 | L235-E301 HydrophobicContact CD1-CG 3.92Å; L235-E301 HydrophobicContact CD2-CB 4.48Å; L235-E301 HydrophobicContact CD2-CG 3.84Å; P251-E301 WeakPolarHBondContact CA-OE1 3.48Å; S252-E301 WeakPolarHBondContact CB-OE2 3.41Å; S252-E301 PolarHBondContact N-OE1 3.16Å; S252-E301 PolarHBondContact OG-OE1 2.66Å; S252-E301 PolarHBondContact OG-OE2 3.04Å; H296-E301 IonicContact ND1-OE1 3.48Å; D297-E301 WeakPolarHBondContact O-CG 3.39Å; D297-E301 PolarHBondContact O-N 2.94Å; Q299-E301 VanDerWaalsContact C-N 3.3Å; Q299-E301 PolarHBondContact O-N 2.93Å; E301-G303 VanDerWaalsContact C-N 3.29Å; E301-G303 PolarHBondContact O-N 3.31Å; E301-L304 WeakPolarHBondContact O-CA 2.89Å; E301-L304 WeakPolarHBondContact O-CB 3.35Å; E301-L304 PolarHBondContact O-N 3.34Å; E301-W305 HydrophobicContact CB-CZ2 3.87Å; E301-W305 HydrophobicContact CG-CZ2 4.08Å; E301-W305 VanDerWaalsContact O-CD2 3.31Å; E301-W305 PolarHBondContact O-N 3.08Å; E301-W305 PolarHBondContact O-NE1 2.94Å |
| 302 | G | 95.2 | Very high | 91 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 13% | 0.134 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56.3 | -42.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L298 Q299 L304 W305 E306 | L298-G302 PolarHBondContact O-N 3.4Å; Q299-G302 PolarHBondContact O-N 2.9Å; G302-L304 PolarHBondContact O-N 2.94Å; G302-W305 PolarHBondContact O-N 3.37Å; G302-E306 PolarHBondContact O-N 2.86Å |
| 303 | G | 96.3 | Very high | 91.5 | Very high | 38 Ų | 38 | 50.5 Ų | 50.5 | 39% | 0.392 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q299 M300 E301 A307 | Q299-G303 PolarHBondContact O-N 3.16Å; M300-G303 PolarHBondContact O-N 3.23Å; E301-G303 VanDerWaalsContact C-N 3.29Å; E301-G303 PolarHBondContact O-N 3.31Å; G303-A307 VanDerWaalsContact O-CB 3.31Å; G303-A307 WeakPolarHBondContact O-CB 3.43Å; G303-A307 PolarHBondContact O-N 3.48Å |
| 304 | L | 95.8 | Very high | 92.3 | Very high | 28 Ų | 28 | 44.9 Ų | 44.9 | 15% | 0.147 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.5 | -47 | 175.4 | 179.2 | 61.7 | 0 | 0 | 0 | 111.6 | L234 L235 L256 M300 E301 G302 E306 A307 L308 | L234-L304 HydrophobicContact CB-CD2 4.26Å; L235-L304 HydrophobicContact CD1-CD2 4.42Å; L235-L304 HydrophobicContact CD2-CB 4.23Å; L235-L304 HydrophobicContact CD2-CD2 3.66Å; L235-L304 HydrophobicContact CG-CD2 3.92Å; L256-L304 HydrophobicContact CD2-CD2 4.46Å; M300-L304 PolarHBondContact O-N 2.7Å; E301-L304 WeakPolarHBondContact O-CA 2.89Å; E301-L304 WeakPolarHBondContact O-CB 3.35Å; E301-L304 PolarHBondContact O-N 3.34Å; G302-L304 PolarHBondContact O-N 2.94Å; L304-E306 VanDerWaalsContact C-N 3.3Å; L304-E306 PolarHBondContact O-N 3.29Å; L304-A307 PolarHBondContact O-N 3.49Å; L304-A307 VanDerWaalsContact O-N 3.16Å; L304-L308 HydrophobicContact CD1-CD1 4.11Å; L304-L308 HydrophobicContact CD1-CD2 4.35Å; L304-L308 HydrophobicContact CD1-CG 3.97Å; L304-L308 HydrophobicContact CG-CD1 4.05Å; L304-L308 HydrophobicContact CG-CG 4.3Å; L304-L308 WeakPolarHBondContact O-CG 3.46Å; L304-L308 PolarHBondContact O-N 3.19Å |
| 305 | W | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.7 | -44.2 | 179.9 | -50.3 | 143.7 | 0 | 0 | 0 | 111.6 | L255 L256 F270 E301 G302 L308 H309 L314 L316 | L255-W305 HydrophobicContact CB-CH2 4.35Å; L255-W305 HydrophobicContact CD2-CD2 3.62Å; L255-W305 HydrophobicContact CD2-CE3 3.47Å; L255-W305 VanDerWaalsContact CD2-CE3 3.47Å; L255-W305 HydrophobicContact CD2-CG 4.39Å; L255-W305 HydrophobicContact CD2-CH2 3.84Å; L255-W305 HydrophobicContact CD2-CZ2 3.96Å; L255-W305 HydrophobicContact CD2-CZ3 3.58Å; L255-W305 HydrophobicContact CG-CE3 4.33Å; L255-W305 HydrophobicContact CG-CH2 4.27Å; L255-W305 HydrophobicContact CG-CZ3 4.02Å; L256-W305 HydrophobicContact CD1-CH2 4.24Å; L256-W305 HydrophobicContact CD2-CH2 4.27Å; L256-W305 HydrophobicContact CD2-CZ3 4.06Å; L256-W305 HydrophobicContact CG-CH2 3.99Å; L256-W305 HydrophobicContact CG-CZ3 4.26Å; F270-W305 AromaticContact CD1-NE1 3.88Å; E301-W305 HydrophobicContact CB-CZ2 3.87Å; E301-W305 HydrophobicContact CG-CZ2 4.08Å; E301-W305 VanDerWaalsContact O-CD2 3.31Å; E301-W305 PolarHBondContact O-N 3.08Å; E301-W305 PolarHBondContact O-NE1 2.94Å; G302-W305 PolarHBondContact O-N 3.37Å; W305-L308 HydrophobicContact CE3-CD1 4.31Å; W305-L308 HydrophobicContact CZ3-CD1 4.48Å; W305-L308 PolarHBondContact O-N 2.75Å; W305-H309 VanDerWaalsContact O-CB 3.29Å; W305-H309 WeakPolarHBondContact O-CB 3.41Å; W305-H309 PolarHBondContact O-N 2.93Å; W305-L314 HydrophobicContact CB-CD2 4.29Å; W305-L314 HydrophobicContact CE3-CD2 4.38Å; W305-L316 HydrophobicContact CB-CD1 4.29Å; W305-L316 HydrophobicContact CB-CD2 3.92Å |
| 306 | E | 97.1 | Very high | 94.6 | Very high | 31 Ų | 31 | 45.9 Ų | 45.9 | 15% | 0.145 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -67.3 | -38.3 | 177.3 | -171.2 | -179.9 | -154 | 0 | 0 | 112.4 | R273 G302 L304 H309 R310 | R273-E306 VanDerWaalsContact CZ-CD 3.44Å; R273-E306 IonicContact CZ-OE1 2.82Å; R273-E306 IonicContact CZ-OE2 2.81Å; R273-E306 IonicContact NE-OE1 3.93Å; R273-E306 PolarHBondContact NE-OE1 2.87Å; R273-E306 IonicContact NE-OE2 2.91Å; R273-E306 PolarHBondContact NE-OE2 3.31Å; R273-E306 IonicContact NH1-OE1 2.69Å; R273-E306 IonicContact NH2-OE1 3.81Å; R273-E306 PolarHBondContact NH2-OE1 3.11Å; R273-E306 IonicContact NH2-OE2 3.71Å; R273-E306 PolarHBondContact NH2-OE2 2.79Å; G302-E306 PolarHBondContact O-N 2.86Å; L304-E306 VanDerWaalsContact C-N 3.3Å; L304-E306 PolarHBondContact O-N 3.29Å; E306-H309 PolarHBondContact O-N 3.39Å; E306-R310 WeakPolarHBondContact O-CG 3.41Å; E306-R310 PolarHBondContact O-N 3.05Å; E306-R310 PolarHBondContact O-NE 2.64Å; E306-R310 IonicContact OE2-NH2 2.89Å |
| 307 | A | 96.1 | Very high | 95.3 | Very high | 24 Ų | 24 | 45 Ų | 45 | 20% | 0.198 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.3 | -39.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G303 L304 R311 | G303-A307 VanDerWaalsContact O-CB 3.31Å; G303-A307 WeakPolarHBondContact O-CB 3.43Å; G303-A307 PolarHBondContact O-N 3.48Å; L304-A307 PolarHBondContact O-N 3.49Å; L304-A307 VanDerWaalsContact O-N 3.16Å; A307-R311 WeakPolarHBondContact O-CG 3.35Å; A307-R311 PolarHBondContact O-N 3.25Å; A307-R311 PolarHBondContact O-NH1 2.99Å |
| 308 | L | 96.6 | Very high | 95.7 | Very high | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.2 | -35.9 | 174.1 | -66.2 | 179.5 | 0 | 0 | 0 | 111.5 | L26 F30 L259 L304 W305 R311 G312 V313 L314 | L26-L308 HydrophobicContact CD2-CD2 3.82Å; F30-L308 HydrophobicContact CE2-CD2 4.09Å; F30-L308 HydrophobicContact CZ-CD1 4.36Å; F30-L308 HydrophobicContact CZ-CD2 4.16Å; L259-L308 HydrophobicContact CD1-CD1 3.77Å; L304-L308 HydrophobicContact CD1-CD1 4.11Å; L304-L308 HydrophobicContact CD1-CD2 4.35Å; L304-L308 HydrophobicContact CD1-CG 3.97Å; L304-L308 HydrophobicContact CG-CD1 4.05Å; L304-L308 HydrophobicContact CG-CG 4.3Å; L304-L308 WeakPolarHBondContact O-CG 3.46Å; L304-L308 PolarHBondContact O-N 3.19Å; W305-L308 HydrophobicContact CE3-CD1 4.31Å; W305-L308 HydrophobicContact CZ3-CD1 4.48Å; W305-L308 PolarHBondContact O-N 2.75Å; L308-R311 PolarHBondContact O-N 2.85Å; L308-G312 PolarHBondContact O-N 2.97Å; L308-V313 HydrophobicContact CB-CB 4.26Å; L308-V313 HydrophobicContact CB-CG1 4.38Å; L308-V313 HydrophobicContact CD2-CB 4.28Å; L308-V313 HydrophobicContact CD2-CG1 4.05Å; L308-V313 PolarHBondContact O-N 2.91Å; L308-L314 HydrophobicContact CB-CB 3.91Å; L308-L314 HydrophobicContact CB-CD2 4.49Å; L308-L314 PolarHBondContact O-N 3.39Å |
| 309 | H | 96.8 | Very high | 95.9 | Very high | 64 Ų | 64 | 48.9 Ų | 48.9 | 30% | 0.296 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.7 | -49 | 176.4 | -179.2 | 55.9 | 0 | 0 | 0 | 112.7 | W305 E306 R311 G312 L314 L316 Q318 | W305-H309 VanDerWaalsContact O-CB 3.29Å; W305-H309 WeakPolarHBondContact O-CB 3.41Å; W305-H309 PolarHBondContact O-N 2.93Å; E306-H309 PolarHBondContact O-N 3.39Å; H309-R311 PolarHBondContact O-N 3.12Å; H309-G312 PolarHBondContact O-N 2.99Å; H309-L314 VanDerWaalsContact CA-O 3.24Å; H309-L314 WeakPolarHBondContact CA-O 3.48Å; H309-L314 PolarHBondContact ND1-O 2.69Å; H309-L316 HydrophobicContact CB-CB 3.89Å; H309-L316 PolarHBondContact ND1-N 3.2Å; H309-Q318 PolarHBondContact CD2-NE2 2.89Å; H309-Q318 VanDerWaalsContact CD2-NE2 3.27Å; H309-Q318 PolarHBondContact NE2-NE2 3.37Å |
| 310 | R | 96.1 | Very high | 95.8 | Very high | 164 Ų | 164 | 45 Ų | 45 | 62% | 0.619 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -60.9 | -25.6 | 177.3 | -76.9 | -177.2 | -80.5 | 163.2 | -10.8 | 113.7 | E306 | E306-R310 WeakPolarHBondContact O-CG 3.41Å; E306-R310 PolarHBondContact O-N 3.05Å; E306-R310 PolarHBondContact O-NE 2.64Å; E306-R310 IonicContact OE2-NH2 2.89Å |
| 311 | R | 95 | Very high | 95 | Very high | 103 Ų | 103 | 51.4 Ų | 51.4 | 39% | 0.389 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -0.6 | 177.4 | -71.9 | 174.6 | 170.6 | 75.3 | 0.8 | 113.9 | V19 D23 L26 A307 L308 H309 V313 | V19-R311 WeakPolarHBondContact CG1-O 3.35Å; D23-R311 WeakPolarHBondContact OD2-CD 3.43Å; D23-R311 IonicContact OD2-NE 3.6Å; D23-R311 PolarHBondContact OD2-NE 3.45Å; L26-R311 HydrophobicContact CD1-CB 4.38Å; A307-R311 WeakPolarHBondContact O-CG 3.35Å; A307-R311 PolarHBondContact O-N 3.25Å; A307-R311 PolarHBondContact O-NH1 2.99Å; L308-R311 PolarHBondContact O-N 2.85Å; H309-R311 PolarHBondContact O-N 3.12Å; R311-V313 HydrophobicContact CB-CG2 4.29Å; R311-V313 PolarHBondContact O-N 2.75Å |
| 312 | G | 94.1 | Very high | 93.4 | Very high | 55 Ų | 55 | 53.9 Ų | 53.9 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 11.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | L308 H309 | L308-G312 PolarHBondContact O-N 2.97Å; H309-G312 PolarHBondContact O-N 2.99Å |
| 313 | V | 95.1 | Very high | 91 | Very high | 4 Ų | 4 | 65.3 Ų | 65.3 | 2% | 0.024 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -77.8 | -36.2 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 111.7 | L16 V19 M20 L26 L259 L308 R311 | L16-V313 HydrophobicContact CB-CG1 4.31Å; V19-V313 HydrophobicContact CB-CG2 4.3Å; V19-V313 HydrophobicContact CG1-CG2 3.7Å; M20-V313 HydrophobicContact CE-CG1 3.35Å; M20-V313 HydrophobicContact CE-CG2 4.38Å; M20-V313 HydrophobicContact CG-CG2 4.05Å; L26-V313 HydrophobicContact CD1-CG2 3.6Å; L259-V313 HydrophobicContact CD2-CG1 4.01Å; L308-V313 HydrophobicContact CB-CB 4.26Å; L308-V313 HydrophobicContact CB-CG1 4.38Å; L308-V313 HydrophobicContact CD2-CB 4.28Å; L308-V313 HydrophobicContact CD2-CG1 4.05Å; L308-V313 PolarHBondContact O-N 2.91Å; R311-V313 HydrophobicContact CB-CG2 4.29Å; R311-V313 PolarHBondContact O-N 2.75Å |
| 314 | L | 96.2 | Very high | 88.3 | Confident | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.016 | 38% | 0.38 | C | S | . | . | trans | -129.7 | 139.5 | -175.5 | 174.1 | 67.1 | 0 | 0 | 0 | 110 | L255 L259 V265 A267 W305 L308 H309 | L255-L314 HydrophobicContact CD1-CD1 4.03Å; L255-L314 HydrophobicContact CD2-CD2 4.26Å; L259-L314 HydrophobicContact CD2-CD1 4.48Å; V265-L314 HydrophobicContact CB-CD1 4.02Å; V265-L314 HydrophobicContact CG1-CD1 3.67Å; A267-L314 HydrophobicContact CB-CD1 3.81Å; A267-L314 HydrophobicContact CB-CD2 4.11Å; A267-L314 HydrophobicContact CB-CG 4.29Å; W305-L314 HydrophobicContact CB-CD2 4.29Å; W305-L314 HydrophobicContact CE3-CD2 4.38Å; L308-L314 HydrophobicContact CB-CB 3.91Å; L308-L314 HydrophobicContact CB-CD2 4.49Å; L308-L314 PolarHBondContact O-N 3.39Å; H309-L314 VanDerWaalsContact CA-O 3.24Å; H309-L314 WeakPolarHBondContact CA-O 3.48Å; H309-L314 PolarHBondContact ND1-O 2.69Å | ||
| 315 | R | 97.9 | Very high | 87.9 | Confident | 119 Ų | 119 | 72.8 Ų | 72.8 | 45% | 0.449 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 100.3 | 165.4 | -62.9 | -178.7 | -165.2 | -165.3 | 1 | 109 | V265 S266 A267 | V265-R315 PolarHBondContact O-N 3.26Å; S266-R315 CarbonylContact C-O 3.17Å; S266-R315 VanDerWaalsContact CA-O 3.24Å; S266-R315 WeakPolarHBondContact CA-O 3.5Å; A267-R315 PolarHBondContact N-O 3.05Å |
| 316 | L | 98.4 | Very high | 87.4 | Confident | 12 Ų | 12 | 76.6 Ų | 76.6 | 6% | 0.063 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 121.3 | 177.3 | -178.3 | 62.8 | 0 | 0 | 0 | 109.4 | A267 F270 T272 W305 H309 Q318 | A267-L316 HydrophobicContact CB-CD1 3.91Å; F270-L316 HydrophobicContact CB-CD1 4.11Å; T272-L316 HydrophobicContact CG2-CD2 4.35Å; T272-L316 HydrophobicContact CG2-CG 4.5Å; W305-L316 HydrophobicContact CB-CD1 4.29Å; W305-L316 HydrophobicContact CB-CD2 3.92Å; H309-L316 HydrophobicContact CB-CB 3.89Å; H309-L316 PolarHBondContact ND1-N 3.2Å; L316-Q318 HydrophobicContact CD2-CG 4.2Å; L316-Q318 HydrophobicContact CG-CG 4.02Å; L316-Q318 PolarHBondContact O-N 3.32Å |
| 317 | F | 98.3 | Very high | 86.8 | Confident | 31 Ų | 31 | 79.1 Ų | 79.1 | 14% | 0.136 | 43% | 0.427 | C | S | . | . | trans | -67.4 | 124 | 171.5 | 177.4 | -106.7 | 0 | 0 | 0 | 109.8 | I110 L111 A114 Q116 A267 Y268 R319 | I110-F317 HydrophobicContact CG1-CD1 4.4Å; I110-F317 HydrophobicContact CG1-CE1 4.09Å; L111-F317 HydrophobicContact CD2-CD1 4.02Å; L111-F317 HydrophobicContact CD2-CE1 4.16Å; A114-F317 HydrophobicContact CB-CE1 4.01Å; A114-F317 HydrophobicContact CB-CZ 3.84Å; Q116-F317 HydrophobicContact CG-CD2 3.95Å; Q116-F317 HydrophobicContact CG-CE1 4.16Å; Q116-F317 HydrophobicContact CG-CE2 3.5Å; Q116-F317 HydrophobicContact CG-CG 4.46Å; Q116-F317 HydrophobicContact CG-CZ 3.62Å; A267-F317 WeakPolarHBondContact O-CB 3.46Å; A267-F317 PolarHBondContact O-N 3.32Å; Y268-F317 HydrophobicContact CD1-CB 3.72Å; Y268-F317 HydrophobicContact CD1-CD2 4.39Å; Y268-F317 AromaticContact CD1-CG 3.98Å; Y268-F317 HydrophobicContact CD1-CG 3.98Å; Y268-F317 HydrophobicContact CE1-CB 4.14Å; Y268-F317 HydrophobicContact CE1-CD2 4.39Å; Y268-F317 HydrophobicContact CE1-CG 4.38Å; Y268-F317 HydrophobicContact CG-CB 4.37Å; F317-R319 HydrophobicContact CE1-CG 4.09Å; F317-R319 HydrophobicContact CZ-CB 4.23Å; F317-R319 HydrophobicContact CZ-CG 4.03Å | ||
| 318 | Q | 97.3 | Very high | 86.3 | Confident | 79 Ų | 79 | 82.4 Ų | 82.4 | 37% | 0.369 | 44% | 0.44 | S | S | . | . | trans | -135.8 | 143.5 | 179.2 | -60.9 | 178.7 | 88.8 | 0 | 0 | 108.1 | T272 H309 L316 | T272-Q318 HydrophobicContact CG2-CG 3.95Å; H309-Q318 PolarHBondContact CD2-NE2 2.89Å; H309-Q318 VanDerWaalsContact CD2-NE2 3.27Å; H309-Q318 PolarHBondContact NE2-NE2 3.37Å; L316-Q318 HydrophobicContact CD2-CG 4.2Å; L316-Q318 HydrophobicContact CG-CG 4.02Å; L316-Q318 PolarHBondContact O-N 3.32Å | ||
| 319 | R | 94.7 | Very high | 85.7 | Confident | 62 Ų | 62 | 87.4 Ų | 87.4 | 23% | 0.234 | 47% | 0.468 | C | S | . | . | trans | -151.4 | 154.7 | 170.6 | 63.6 | 167.6 | -176.6 | 147.7 | 6 | 110.8 | I110 R112 G113 N274 F278 F317 | I110-R319 HydrophobicContact CD1-CG 4.19Å; I110-R319 HydrophobicContact CG1-CG 3.81Å; I110-R319 PolarHBondContact O-NE 2.81Å; I110-R319 PolarHBondContact O-NH2 3.06Å; R112-R319 PolarHBondContact O-NH2 3.46Å; G113-R319 PolarHBondContact O-NH1 2.96Å; N274-R319 PolarHBondContact ND2-O 3.11Å; F278-R319 HydrophobicContact CE1-CG 4.48Å; F278-R319 HydrophobicContact CZ-CG 4.09Å; F317-R319 HydrophobicContact CE1-CG 4.09Å; F317-R319 HydrophobicContact CZ-CB 4.23Å; F317-R319 HydrophobicContact CZ-CG 4.03Å | ||
| 320 | G | 88.9 | Confident | 84.9 | Confident | 52 Ų | 52 | 89 Ų | 89 | 54% | 0.536 | 48% | 0.479 | S | S | . | . | P | Polyproline II helix | trans | -75.3 | 168.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G322 | G320-G322 PolarHBondContact O-N 3.15Š|
| 321 | R | 76.7 | Confident | 84.1 | Confident | 195 Ų | 195 | 83.6 Ų | 83.6 | 74% | 0.736 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 121 | 167.1 | -165.8 | 173.6 | 179.2 | -179.6 | 0.1 | 108.2 | R323 | R321-R323 PolarHBondContact O-N 3.13Š|
| 322 | G | 62.4 | Low | 83.3 | Confident | 54 Ų | 54 | 82.2 Ų | 82.2 | 56% | 0.557 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -55.5 | 129.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | G320 G324 | G320-G322 PolarHBondContact O-N 3.15Å; G322-G324 PolarHBondContact O-N 3.33Å |
| 323 | R | 45.1 | Very low | 82.4 | Confident | 253 Ų | 253 | 84.4 Ų | 84.4 | 96% | 0.955 | 47% | 0.468 | S | S | * | . | trans | -64.7 | 107.1 | 165.4 | -70.2 | -176.3 | 179.8 | -176.8 | -0.5 | 105.2 | R321 | R321-R323 PolarHBondContact O-N 3.13Š| ||
| 324 | G | 37.8 | Very low | 81.2 | Confident | 149 Ų | 149 | 91.7 Ų | 91.7 | 100% | 1.536 | 51% | 0.508 | S | S | * | . | trans | -64 | 0 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111 | G322 | G322-G324 PolarHBondContact O-N 3.33Š|
Retrieved 324 of 324 residues in 105.5 ms
(Link to these results)