| 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 | 66.7 | Low | 78.6 | Confident | 131 Ų | 131 | 70 Ų | 70 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | 0 | -33.6 | 0 | -52.2 | -58.7 | 0 | 0 | 0 | 115.6 | V3 L4 V5 | D1-V3 PolarHBondContact O-N 2.91Å; D1-L4 WeakPolarHBondContact O-CA 3.31Å; D1-L4 WeakPolarHBondContact O-CB 3.43Å; D1-L4 PolarHBondContact O-N 3.29Å; D1-V5 PolarHBondContact O-N 3.33Å | |||
| 2 | A | 77.6 | Confident | 78.5 | Confident | 64 Ų | 64 | 64.8 Ų | 64.8 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -46.2 | -38.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | L4 V5 F6 F23 | A2-L4 VanDerWaalsContact C-N 3.35Å; A2-L4 PolarHBondContact O-N 2.99Å; A2-V5 PolarHBondContact O-N 2.88Å; A2-F6 WeakPolarHBondContact O-CB 3.44Å; A2-F6 PolarHBondContact O-N 3.32Å; A2-F23 HydrophobicContact CB-CE1 3.87Å; A2-F23 HydrophobicContact CB-CZ 4.14Å |
| 3 | V | 78 | Confident | 78.8 | Confident | 9 Ų | 9 | 64.2 Ų | 64.2 | 6% | 0.055 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -66.9 | -31.7 | 176.7 | -177 | 0 | 0 | 0 | 0 | 113 | D1 L7 L19 F23 F40 F43 V44 | D1-V3 PolarHBondContact O-N 2.91Å; V3-L7 HydrophobicContact CG1-CD1 4.08Å; V3-L7 WeakPolarHBondContact O-CB 3.45Å; V3-L7 WeakPolarHBondContact O-CG 3.33Å; V3-L7 PolarHBondContact O-N 2.76Å; V3-L19 HydrophobicContact CG1-CD1 4.17Å; V3-F23 HydrophobicContact CB-CE2 4.32Å; V3-F23 HydrophobicContact CB-CZ 4.38Å; V3-F23 HydrophobicContact CG2-CD2 4.16Å; V3-F23 HydrophobicContact CG2-CE1 4.2Å; V3-F23 HydrophobicContact CG2-CE2 3.8Å; V3-F23 HydrophobicContact CG2-CZ 3.83Å; V3-F40 HydrophobicContact CG2-CD2 4.03Å; V3-F40 HydrophobicContact CG2-CE2 3.51Å; V3-F40 HydrophobicContact CG2-CZ 4.33Å; V3-F43 HydrophobicContact CB-CD1 3.94Å; V3-F43 HydrophobicContact CB-CE1 3.92Å; V3-F43 HydrophobicContact CG1-CD1 4.5Å; V3-F43 HydrophobicContact CG2-CD1 4.36Å; V3-V44 HydrophobicContact CG1-CG2 4.1Å |
| 4 | L | 80.8 | Confident | 79.3 | Confident | 29 Ų | 29 | 59.9 Ų | 59.9 | 15% | 0.152 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.6 | -52.1 | 174.2 | -174.5 | 84.8 | 0 | 0 | 0 | 109.9 | D1 A2 F6 L7 Q8 F43 V47 L61 Y65 | D1-L4 WeakPolarHBondContact O-CA 3.31Å; D1-L4 WeakPolarHBondContact O-CB 3.43Å; D1-L4 PolarHBondContact O-N 3.29Å; A2-L4 VanDerWaalsContact C-N 3.35Å; A2-L4 PolarHBondContact O-N 2.99Å; L4-F6 VanDerWaalsContact C-N 3.35Å; L4-F6 PolarHBondContact O-N 3.26Å; L4-L7 PolarHBondContact O-N 3.23Å; L4-Q8 WeakPolarHBondContact O-CB 3.13Å; L4-Q8 WeakPolarHBondContact O-CG 3.2Å; L4-Q8 PolarHBondContact O-N 3.27Å; L4-F43 HydrophobicContact CB-CE1 4.48Å; L4-V47 HydrophobicContact CD1-CG1 3.66Å; L4-V47 HydrophobicContact CD1-CG2 4.44Å; L4-L61 HydrophobicContact CD1-CD1 4.29Å; L4-Y65 HydrophobicContact CD1-CD1 3.88Å; L4-Y65 HydrophobicContact CD1-CD2 4.43Å; L4-Y65 HydrophobicContact CD1-CG 3.79Å |
| 5 | V | 80.3 | Confident | 79.7 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 53% | 0.527 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.8 | -42.7 | -179.5 | -178.9 | 0 | 0 | 0 | 0 | 111 | D1 A2 Q8 R9 | D1-V5 PolarHBondContact O-N 3.33Å; A2-V5 PolarHBondContact O-N 2.88Å; V5-Q8 PolarHBondContact O-N 2.79Å; V5-R9 WeakPolarHBondContact O-CB 3.18Å; V5-R9 PolarHBondContact O-N 3.21Å |
| 6 | F | 82.4 | Confident | 80 | Confident | 35 Ų | 35 | 61.9 Ų | 61.9 | 15% | 0.154 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.2 | -51.2 | 174.1 | -178.6 | -93.7 | 0 | 0 | 0 | 111.8 | A2 L4 Q8 R9 C10 A14 L19 H22 F23 | A2-F6 WeakPolarHBondContact O-CB 3.44Å; A2-F6 PolarHBondContact O-N 3.32Å; L4-F6 VanDerWaalsContact C-N 3.35Å; L4-F6 PolarHBondContact O-N 3.26Å; F6-Q8 VanDerWaalsContact C-N 3.29Å; F6-Q8 PolarHBondContact O-N 3.36Å; F6-R9 PolarHBondContact O-N 3Å; F6-C10 PolarHBondContact O-N 3Å; F6-C10 PolarHBondContact O-SG 3.09Å; F6-C10 VanDerWaalsContact O-SG 3.38Å; F6-A14 HydrophobicContact CE1-CB 3.96Å; F6-L19 HydrophobicContact CE1-CB 4.13Å; F6-H22 HydrophobicContact CD2-CB 4.19Å; F6-H22 AromaticContact CD2-CD2 3.65Å; F6-H22 AromaticContact CD2-CG 3.68Å; F6-H22 AromaticContact CD2-ND1 3.97Å; F6-H22 AromaticContact CD2-NE2 3.92Å; F6-H22 HydrophobicContact CE2-CB 3.65Å; F6-H22 AromaticContact CE2-CD2 3.5Å; F6-H22 AromaticContact CE2-CG 3.54Å; F6-H22 HydrophobicContact CZ-CB 3.99Å; F6-F23 HydrophobicContact CB-CE2 4.03Å; F6-F23 HydrophobicContact CB-CZ 4.06Å; F6-F23 HydrophobicContact CD1-CE2 4.22Å; F6-F23 HydrophobicContact CG-CE2 4Å; F6-F23 HydrophobicContact CG-CZ 4.42Å |
| 7 | L | 82.1 | Confident | 80.3 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.5 | -29.9 | 179.1 | -74.1 | 171.6 | 0 | 0 | 0 | 113.1 | V3 L4 G12 A14 L19 A48 V59 L61 | V3-L7 HydrophobicContact CG1-CD1 4.08Å; V3-L7 WeakPolarHBondContact O-CB 3.45Å; V3-L7 WeakPolarHBondContact O-CG 3.33Å; V3-L7 PolarHBondContact O-N 2.76Å; L4-L7 PolarHBondContact O-N 3.23Å; L7-G12 VanDerWaalsContact O-CA 3.23Å; L7-G12 WeakPolarHBondContact O-CA 3.5Å; L7-G12 PolarHBondContact O-N 2.88Å; L7-A14 HydrophobicContact CD2-CB 3.77Å; L7-L19 HydrophobicContact CD1-CD1 4.4Å; L7-L19 HydrophobicContact CD2-CD1 4.03Å; L7-L19 HydrophobicContact CG-CD1 4.29Å; L7-A48 HydrophobicContact CD1-CB 4.19Å; L7-V59 HydrophobicContact CD1-CG1 4.05Å; L7-V59 HydrophobicContact CD2-CB 4.39Å; L7-V59 HydrophobicContact CD2-CG1 4.22Å; L7-L61 HydrophobicContact CB-CD1 3.97Å; L7-L61 HydrophobicContact CD1-CD1 3.98Å |
| 8 | Q | 81.8 | Confident | 80.5 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 28% | 0.28 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71 | -43.4 | 172.9 | -74.7 | 170.7 | -23.7 | 0 | 0 | 111.4 | L4 V5 F6 C10 G11 L61 Y65 T68 | L4-Q8 WeakPolarHBondContact O-CB 3.13Å; L4-Q8 WeakPolarHBondContact O-CG 3.2Å; L4-Q8 PolarHBondContact O-N 3.27Å; V5-Q8 PolarHBondContact O-N 2.79Å; F6-Q8 VanDerWaalsContact C-N 3.29Å; F6-Q8 PolarHBondContact O-N 3.36Å; Q8-C10 PolarHBondContact O-N 3.31Å; Q8-G11 PolarHBondContact O-N 3.18Å; Q8-L61 HydrophobicContact CG-CD2 3.84Å; Q8-Y65 PolarHBondContact NE2-O 2.91Å; Q8-T68 PolarHBondContact NE2-OG1 2.94Å |
| 9 | R | 80.8 | Confident | 80.6 | Confident | 232 Ų | 232 | 61.3 Ų | 61.3 | 88% | 0.875 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.7 | -28.6 | 173.6 | -170.9 | 171 | -179.8 | 155.6 | 0.7 | 112.8 | V5 F6 G11 | V5-R9 WeakPolarHBondContact O-CB 3.18Å; V5-R9 PolarHBondContact O-N 3.21Å; F6-R9 PolarHBondContact O-N 3Å; R9-G11 VanDerWaalsContact C-N 3.26Å; R9-G11 PolarHBondContact O-N 3.28Å |
| 10 | C | 77.4 | Confident | 80.7 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 35% | 0.345 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | 19.5 | 170.1 | -62.5 | 0 | 0 | 0 | 0 | 114.2 | F6 Q8 G12 S13 A14 | F6-C10 PolarHBondContact O-N 3Å; F6-C10 PolarHBondContact O-SG 3.09Å; F6-C10 VanDerWaalsContact O-SG 3.38Å; Q8-C10 PolarHBondContact O-N 3.31Å; C10-G12 VanDerWaalsContact C-N 3.29Å; C10-G12 PolarHBondContact O-N 2.92Å; C10-S13 PolarHBondContact O-N 2.84Å; C10-A14 HydrophobicContact CB-CB 4.09Å |
| 11 | G | 76.9 | Confident | 80.8 | Confident | 72 Ų | 72 | 61.5 Ų | 61.5 | 74% | 0.742 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.7 | 18.8 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q8 R9 | Q8-G11 PolarHBondContact O-N 3.18Å; R9-G11 VanDerWaalsContact C-N 3.26Å; R9-G11 PolarHBondContact O-N 3.28Å |
| 12 | G | 77.6 | Confident | 81.5 | Confident | 7 Ų | 7 | 59.4 Ų | 59.4 | 7% | 0.072 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.9 | 5.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | L7 C10 L61 | L7-G12 VanDerWaalsContact O-CA 3.23Å; L7-G12 WeakPolarHBondContact O-CA 3.5Å; L7-G12 PolarHBondContact O-N 2.88Å; C10-G12 VanDerWaalsContact C-N 3.29Å; C10-G12 PolarHBondContact O-N 2.92Å; G12-L61 VanDerWaalsContact O-CB 3.28Å; G12-L61 WeakPolarHBondContact O-CB 3.44Å; G12-L61 PolarHBondContact O-N 3.02Å |
| 13 | S | 81.6 | Confident | 81.5 | Confident | 57 Ų | 57 | 57 Ų | 57 | 40% | 0.399 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 138.1 | 170.4 | 56.1 | 0 | 0 | 0 | 0 | 112.8 | C10 V59 | C10-S13 PolarHBondContact O-N 2.84Å; S13-V59 VanDerWaalsContact CA-O 3.31Å; S13-V59 WeakPolarHBondContact CA-O 3.48Å |
| 14 | A | 86.2 | Confident | 81.3 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 3% | 0.033 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 154.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | F6 L7 C10 V59 | F6-A14 HydrophobicContact CE1-CB 3.96Å; L7-A14 HydrophobicContact CD2-CB 3.77Å; C10-A14 HydrophobicContact CB-CB 4.09Å; A14-V59 PolarHBondContact N-O 2.96Å; A14-V59 VanDerWaalsContact N-O 3.08Å; A14-V59 PolarHBondContact O-N 2.94Å |
| 15 | K | 85.7 | Confident | 81 | Confident | 97 Ų | 97 | 62 Ų | 62 | 42% | 0.422 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 146 | 171.3 | -54.6 | -174.9 | -165.5 | 89.6 | 0 | 109.2 | T17 E18 L19 V56 | K15-T17 WeakPolarHBondContact CB-OG1 3.27Å; K15-T17 PolarHBondContact O-N 2.81Å; K15-E18 HydrophobicContact CB-CB 4.49Å; K15-E18 HydrophobicContact CB-CG 4.12Å; K15-E18 WeakPolarHBondContact CB-OE2 3.41Å; K15-E18 VanDerWaalsContact CD-OE1 3.32Å; K15-E18 WeakPolarHBondContact CD-OE1 3.38Å; K15-E18 WeakPolarHBondContact CG-OE1 3.28Å; K15-E18 WeakPolarHBondContact CG-OE2 3.45Å; K15-E18 PolarHBondContact N-OE2 3.29Å; K15-E18 IonicContact NZ-OE1 3.54Å; K15-E18 PolarHBondContact NZ-OE1 3.49Å; K15-E18 PolarHBondContact O-N 2.87Å; K15-E18 VanDerWaalsContact O-N 3.1Å; K15-L19 PolarHBondContact O-N 3.03Å; K15-V56 HydrophobicContact CB-CG1 4.48Å; K15-V56 HydrophobicContact CD-CG1 4.33Å; K15-V56 HydrophobicContact CG-CG1 4.41Å |
| 16 | N | 84.8 | Confident | 80.5 | Confident | 55 Ų | 55 | 65.9 Ų | 65.9 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.1 | -26.7 | 177.3 | -175 | 70.6 | 0 | 0 | 0 | 112.3 | L20 S57 V59 | N16-L20 WeakPolarHBondContact ND2-CD1 3.43Å; N16-L20 VanDerWaalsContact O-CB 3.28Å; N16-L20 WeakPolarHBondContact O-CB 3.16Å; N16-L20 WeakPolarHBondContact O-CG 3.4Å; N16-L20 PolarHBondContact O-N 3.12Å; N16-S57 WeakPolarHBondContact CB-O 3.29Å; N16-S57 PolarHBondContact N-O 3.01Å; N16-V59 HydrophobicContact CB-CG2 4.34Å |
| 17 | T | 84.8 | Confident | 79.9 | Confident | 96 Ų | 96 | 66.1 Ų | 66.1 | 59% | 0.589 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -66.5 | -44.9 | 172.7 | 45.1 | 0 | 0 | 0 | 0 | 112.7 | K15 L20 A21 | K15-T17 WeakPolarHBondContact CB-OG1 3.27Å; K15-T17 PolarHBondContact O-N 2.81Å; T17-L20 PolarHBondContact O-N 3.02Å; T17-A21 WeakPolarHBondContact O-CB 3.16Å; T17-A21 PolarHBondContact O-N 3.1Å |
| 18 | E | 83.1 | Confident | 79.1 | Confident | 77 Ų | 77 | 75.6 Ų | 75.6 | 36% | 0.36 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.8 | -45.2 | 179.2 | -65.7 | 153.7 | -178.7 | 0 | 0 | 111.1 | K15 A21 H22 | K15-E18 HydrophobicContact CB-CB 4.49Å; K15-E18 HydrophobicContact CB-CG 4.12Å; K15-E18 WeakPolarHBondContact CB-OE2 3.41Å; K15-E18 VanDerWaalsContact CD-OE1 3.32Å; K15-E18 WeakPolarHBondContact CD-OE1 3.38Å; K15-E18 WeakPolarHBondContact CG-OE1 3.28Å; K15-E18 WeakPolarHBondContact CG-OE2 3.45Å; K15-E18 PolarHBondContact N-OE2 3.29Å; K15-E18 IonicContact NZ-OE1 3.54Å; K15-E18 PolarHBondContact NZ-OE1 3.49Å; K15-E18 PolarHBondContact O-N 2.87Å; K15-E18 VanDerWaalsContact O-N 3.1Å; E18-A21 PolarHBondContact O-N 3.19Å; E18-H22 PolarHBondContact O-N 3.44Å; E18-H22 VanDerWaalsContact O-N 3.09Å |
| 19 | L | 83.4 | Confident | 78.1 | Confident | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.01 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 176.1 | 178.4 | 145.3 | 0 | 0 | 0 | 111.6 | V3 F6 L7 K15 F23 F40 V59 | V3-L19 HydrophobicContact CG1-CD1 4.17Å; F6-L19 HydrophobicContact CE1-CB 4.13Å; L7-L19 HydrophobicContact CD1-CD1 4.4Å; L7-L19 HydrophobicContact CD2-CD1 4.03Å; L7-L19 HydrophobicContact CG-CD1 4.29Å; K15-L19 PolarHBondContact O-N 3.03Å; L19-F23 HydrophobicContact CG-CD2 4.4Å; L19-F23 VanDerWaalsContact O-CD2 3.27Å; L19-F23 WeakPolarHBondContact O-CD2 3.16Å; L19-F23 PolarHBondContact O-N 3.48Å; L19-F40 HydrophobicContact CD2-CE1 3.99Å; L19-F40 HydrophobicContact CD2-CZ 3.68Å; L19-V59 HydrophobicContact CD1-CB 4.19Å; L19-V59 HydrophobicContact CD1-CG1 4.06Å; L19-V59 HydrophobicContact CD1-CG2 4.24Å |
| 20 | L | 81.8 | Confident | 77 | Confident | 59 Ų | 59 | 71.4 Ų | 71.4 | 31% | 0.309 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -69.6 | -40.9 | 173.7 | -73.3 | 173.6 | 0 | 0 | 0 | 112 | N16 T17 H22 F23 L24 | N16-L20 WeakPolarHBondContact ND2-CD1 3.43Å; N16-L20 VanDerWaalsContact O-CB 3.28Å; N16-L20 WeakPolarHBondContact O-CB 3.16Å; N16-L20 WeakPolarHBondContact O-CG 3.4Å; N16-L20 PolarHBondContact O-N 3.12Å; T17-L20 PolarHBondContact O-N 3.02Å; L20-H22 VanDerWaalsContact C-N 3.29Å; L20-H22 PolarHBondContact O-N 2.96Å; L20-F23 PolarHBondContact O-N 2.9Å; L20-L24 HydrophobicContact CB-CD1 4.28Å; L20-L24 HydrophobicContact CB-CG 4.47Å; L20-L24 WeakPolarHBondContact O-CA 3.5Å; L20-L24 WeakPolarHBondContact O-CB 3.21Å; L20-L24 WeakPolarHBondContact O-CD1 3.37Å; L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 2.93Å |
| 21 | A | 83.2 | Confident | 75.9 | Confident | 67 Ų | 67 | 74.8 Ų | 74.8 | 55% | 0.554 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -56.6 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T17 E18 | T17-A21 WeakPolarHBondContact O-CB 3.16Å; T17-A21 PolarHBondContact O-N 3.1Å; E18-A21 PolarHBondContact O-N 3.19Å |
| 22 | H | 80.4 | Confident | 75.1 | Confident | 87 Ų | 87 | 79.5 Ų | 79.5 | 40% | 0.403 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -69.7 | -35.7 | 177.7 | -171.5 | -81.7 | 0 | 0 | 0 | 113.6 | F6 E18 L20 | F6-H22 HydrophobicContact CD2-CB 4.19Å; F6-H22 AromaticContact CD2-CD2 3.65Å; F6-H22 AromaticContact CD2-CG 3.68Å; F6-H22 AromaticContact CD2-ND1 3.97Å; F6-H22 AromaticContact CD2-NE2 3.92Å; F6-H22 HydrophobicContact CE2-CB 3.65Å; F6-H22 AromaticContact CE2-CD2 3.5Å; F6-H22 AromaticContact CE2-CG 3.54Å; F6-H22 HydrophobicContact CZ-CB 3.99Å; E18-H22 PolarHBondContact O-N 3.44Å; E18-H22 VanDerWaalsContact O-N 3.09Å; L20-H22 VanDerWaalsContact C-N 3.29Å; L20-H22 PolarHBondContact O-N 2.96Å |
| 23 | F | 79 | Confident | 74.2 | Confident | 14 Ų | 14 | 80.2 Ų | 80.2 | 6% | 0.061 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -101.6 | -5.8 | -174.5 | -68.3 | -67.6 | 0 | 0 | 0 | 115.1 | A2 V3 F6 L19 L20 Y26 L27 F40 | A2-F23 HydrophobicContact CB-CE1 3.87Å; A2-F23 HydrophobicContact CB-CZ 4.14Å; V3-F23 HydrophobicContact CB-CE2 4.32Å; V3-F23 HydrophobicContact CB-CZ 4.38Å; V3-F23 HydrophobicContact CG2-CD2 4.16Å; V3-F23 HydrophobicContact CG2-CE1 4.2Å; V3-F23 HydrophobicContact CG2-CE2 3.8Å; V3-F23 HydrophobicContact CG2-CZ 3.83Å; F6-F23 HydrophobicContact CB-CE2 4.03Å; F6-F23 HydrophobicContact CB-CZ 4.06Å; F6-F23 HydrophobicContact CD1-CE2 4.22Å; F6-F23 HydrophobicContact CG-CE2 4Å; F6-F23 HydrophobicContact CG-CZ 4.42Å; L19-F23 HydrophobicContact CG-CD2 4.4Å; L19-F23 VanDerWaalsContact O-CD2 3.27Å; L19-F23 WeakPolarHBondContact O-CD2 3.16Å; L19-F23 PolarHBondContact O-N 3.48Å; L20-F23 PolarHBondContact O-N 2.9Å; F23-Y26 HydrophobicContact CD1-CD2 4.26Å; F23-L27 VanDerWaalsContact O-CG 3.29Å; F23-L27 WeakPolarHBondContact O-CG 3.32Å; F23-L27 PolarHBondContact O-N 3.41Å; F23-L27 VanDerWaalsContact O-N 3.12Å; F23-F40 HydrophobicContact CB-CE2 3.59Å; F23-F40 HydrophobicContact CB-CZ 3.8Å; F23-F40 HydrophobicContact CD1-CE2 4.23Å; F23-F40 AromaticContact CD2-CE2 3.83Å; F23-F40 HydrophobicContact CD2-CE2 3.83Å; F23-F40 AromaticContact CD2-CZ 4Å; F23-F40 HydrophobicContact CD2-CZ 4Å; F23-F40 AromaticContact CG-CE2 3.6Å; F23-F40 HydrophobicContact CG-CE2 3.6Å; F23-F40 HydrophobicContact CG-CZ 4.05Å |
| 24 | L | 74.1 | Confident | 73.1 | Confident | 84 Ų | 84 | 84 Ų | 84 | 44% | 0.44 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 178.7 | -94.1 | 165.2 | 0 | 0 | 0 | 114.7 | L20 L27 R28 | L20-L24 HydrophobicContact CB-CD1 4.28Å; L20-L24 HydrophobicContact CB-CG 4.47Å; L20-L24 WeakPolarHBondContact O-CA 3.5Å; L20-L24 WeakPolarHBondContact O-CB 3.21Å; L20-L24 WeakPolarHBondContact O-CD1 3.37Å; L20-L24 WeakPolarHBondContact O-CG 3.28Å; L20-L24 PolarHBondContact O-N 2.93Å; L24-L27 PolarHBondContact O-N 2.99Å; L24-R28 VanDerWaalsContact O-CB 3.31Å; L24-R28 WeakPolarHBondContact O-CB 3.48Å; L24-R28 PolarHBondContact O-N 2.96Å |
| 25 | P | 73.5 | Confident | 72.2 | Confident | 60 Ų | 60 | 85.3 Ų | 85.3 | 39% | 0.39 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -60.5 | -53.8 | 176.2 | -23.3 | 34.4 | 0 | 0 | 0 | 111.5 | L27 R28 D29 | P25-L27 PolarHBondContact O-N 3.47Å; P25-R28 PolarHBondContact O-N 2.8Å; P25-D29 WeakPolarHBondContact CA-OD2 3.33Å; P25-D29 PolarHBondContact O-N 3.46Å; P25-D29 VanDerWaalsContact O-OD2 3.09Å |
| 26 | Y | 70 | Confident | 71.5 | Confident | 167 Ų | 167 | 83.1 Ų | 83.1 | 66% | 0.655 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -54.9 | -26.5 | 176.2 | -59.6 | -80.1 | 0 | 0 | 0 | 114.2 | F23 N33 | F23-Y26 HydrophobicContact CD1-CD2 4.26Å; Y26-N33 PolarHBondContact O-ND2 2.84Å |
| 27 | L | 69.8 | Low | 70.9 | Confident | 41 Ų | 41 | 89 Ų | 89 | 22% | 0.215 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -87.9 | -24.4 | 175.6 | -71.6 | 170.2 | 0 | 0 | 0 | 113.9 | F23 L24 P25 N33 F40 | F23-L27 VanDerWaalsContact O-CG 3.29Å; F23-L27 WeakPolarHBondContact O-CG 3.32Å; F23-L27 PolarHBondContact O-N 3.41Å; F23-L27 VanDerWaalsContact O-N 3.12Å; L24-L27 PolarHBondContact O-N 2.99Å; P25-L27 PolarHBondContact O-N 3.47Å; L27-N33 VanDerWaalsContact C-ND2 3.3Å; L27-N33 PolarHBondContact O-ND2 2.61Å; L27-F40 HydrophobicContact CD1-CD1 4.38Å; L27-F40 HydrophobicContact CD1-CE1 4.48Å; L27-F40 HydrophobicContact CD1-CG 4.43Å; L27-F40 HydrophobicContact CD2-CB 4.23Å; L27-F40 HydrophobicContact CD2-CG 4.44Å |
| 28 | R | 65.7 | Low | 70.5 | Confident | 198 Ų | 198 | 88.3 Ų | 88.3 | 75% | 0.747 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -94.7 | -34.2 | -174.6 | 179.1 | 173.9 | -81.9 | -174.8 | -6.2 | 113.4 | L24 P25 N30 | L24-R28 VanDerWaalsContact O-CB 3.31Å; L24-R28 WeakPolarHBondContact O-CB 3.48Å; L24-R28 PolarHBondContact O-N 2.96Å; P25-R28 PolarHBondContact O-N 2.8Å; R28-N30 PolarHBondContact O-N 3.32Å |
| 29 | D | 59.9 | Low | 70.2 | Confident | 110 Ų | 110 | 93 Ų | 93 | 59% | 0.588 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -93.4 | 15.9 | -159.3 | -53.8 | -27.7 | 0 | 0 | 0 | 114.8 | P25 | P25-D29 WeakPolarHBondContact CA-OD2 3.33Å; P25-D29 PolarHBondContact O-N 3.46Å; P25-D29 VanDerWaalsContact O-OD2 3.09Å |
| 30 | N | 57.5 | Low | 70.1 | Confident | 95 Ų | 95 | 94.5 Ų | 94.5 | 51% | 0.508 | 47% | 0.473 | S | S | . | . | trans | -132.6 | 124.8 | -178.6 | -102.9 | -65.4 | 0 | 0 | 0 | 112.5 | R28 E32 N33 | R28-N30 PolarHBondContact O-N 3.32Å; N30-E32 VanDerWaalsContact C-N 3.31Å; N30-E32 PolarHBondContact O-N 3.23Å; N30-N33 WeakPolarHBondContact CB-OD1 3.36Å; N30-N33 WeakPolarHBondContact O-CB 3.34Å; N30-N33 PolarHBondContact O-N 3.09Å | ||
| 31 | P | 55.2 | Low | 70.1 | Confident | 122 Ų | 122 | 97.8 Ų | 97.8 | 79% | 0.792 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -21.2 | -177.1 | 27.8 | -34.2 | 0 | 0 | 0 | 114 | N33 | P31-N33 PolarHBondContact O-N 3.18Š|
| 32 | E | 58.9 | Low | 70.1 | Confident | 170 Ų | 170 | 98.3 Ų | 98.3 | 79% | 0.794 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -1.4 | 175.6 | -58.1 | -168.3 | 165.6 | 0 | 0 | 113.7 | N30 V34 | N30-E32 VanDerWaalsContact C-N 3.31Å; N30-E32 PolarHBondContact O-N 3.23Å; E32-V34 PolarHBondContact O-N 3.3Å |
| 33 | N | 58.8 | Low | 70.2 | Confident | 22 Ų | 22 | 97.1 Ų | 97.1 | 12% | 0.118 | 48% | 0.478 | C | S | . | . | G | 310 helix | trans | -69.7 | 8.7 | -168.4 | -85.9 | -3.3 | 0 | 0 | 0 | 116.8 | Y26 L27 N30 P31 G35 N36 | Y26-N33 PolarHBondContact O-ND2 2.84Å; L27-N33 VanDerWaalsContact C-ND2 3.3Å; L27-N33 PolarHBondContact O-ND2 2.61Å; N30-N33 WeakPolarHBondContact CB-OD1 3.36Å; N30-N33 WeakPolarHBondContact O-CB 3.34Å; N30-N33 PolarHBondContact O-N 3.09Å; P31-N33 PolarHBondContact O-N 3.18Å; N33-G35 PolarHBondContact O-N 2.99Å; N33-N36 HydrophobicContact CB-CB 4.12Å; N33-N36 PolarHBondContact O-N 2.88Å; N33-N36 PolarHBondContact OD1-ND2 3.4Å |
| 34 | V | 59.6 | Low | 70.4 | Confident | 136 Ų | 136 | 97 Ų | 97 | 82% | 0.824 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -50.7 | -37.9 | -172.8 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | E32 | E32-V34 PolarHBondContact O-N 3.3Š|
| 35 | G | 66.5 | Low | 70.9 | Confident | 33 Ų | 33 | 97.2 Ų | 97.2 | 34% | 0.34 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -98.9 | -6.3 | 174 | 0 | 0 | 0 | 0 | 0 | 116.2 | N33 R37 D38 R39 | N33-G35 PolarHBondContact O-N 2.99Å; G35-R37 PolarHBondContact O-N 2.95Å; G35-D38 PolarHBondContact O-N 3.23Å; G35-R39 WeakPolarHBondContact O-CG 3.3Å; G35-R39 PolarHBondContact O-N 3.38Å |
| 36 | N | 71.4 | Confident | 71.3 | Confident | 51 Ų | 51 | 96.9 Ų | 96.9 | 27% | 0.273 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -72.7 | -29.6 | -172 | -85.3 | -8.8 | 0 | 0 | 0 | 113.3 | N33 D38 R39 F40 | N33-N36 HydrophobicContact CB-CB 4.12Å; N33-N36 PolarHBondContact O-N 2.88Å; N33-N36 PolarHBondContact OD1-ND2 3.4Å; N36-D38 VanDerWaalsContact C-N 3.29Å; N36-D38 PolarHBondContact O-N 2.9Å; N36-R39 WeakPolarHBondContact OD1-CD 3.33Å; N36-R39 PolarHBondContact OD1-NH1 3.39Å; N36-F40 VanDerWaalsContact O-CB 3.28Å; N36-F40 WeakPolarHBondContact O-CB 3.46Å; N36-F40 PolarHBondContact O-N 2.85Å |
| 37 | R | 73.1 | Confident | 71.8 | Confident | 179 Ų | 179 | 89.1 Ų | 89.1 | 68% | 0.675 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -62.2 | -37.1 | 169.5 | -172.2 | -179.2 | 66.7 | -175.5 | -4.2 | 112.2 | G35 K41 | G35-R37 PolarHBondContact O-N 2.95Å; R37-K41 WeakPolarHBondContact O-CB 3.4Å; R37-K41 PolarHBondContact O-N 3.42Å |
| 38 | D | 74.7 | Confident | 72.5 | Confident | 80 Ų | 80 | 87.3 Ų | 87.3 | 43% | 0.428 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -82.8 | -32.8 | -178.4 | -63.8 | -46.5 | 0 | 0 | 0 | 112.2 | G35 N36 K41 S42 | G35-D38 PolarHBondContact O-N 3.23Å; N36-D38 VanDerWaalsContact C-N 3.29Å; N36-D38 PolarHBondContact O-N 2.9Å; D38-K41 PolarHBondContact O-N 3.35Å; D38-S42 VanDerWaalsContact O-CB 3.3Å; D38-S42 WeakPolarHBondContact O-CB 3.43Å; D38-S42 PolarHBondContact O-N 3.32Å |
| 39 | R | 78.3 | Confident | 73.4 | Confident | 175 Ų | 175 | 81 Ų | 81 | 66% | 0.66 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -58.5 | -46.3 | 164.2 | -72.2 | 165.2 | 171.6 | 171.3 | -2.8 | 111.4 | G35 N36 S42 F43 | G35-R39 WeakPolarHBondContact O-CG 3.3Å; G35-R39 PolarHBondContact O-N 3.38Å; N36-R39 WeakPolarHBondContact OD1-CD 3.33Å; N36-R39 PolarHBondContact OD1-NH1 3.39Å; R39-S42 PolarHBondContact O-N 3.4Å; R39-F43 PolarHBondContact O-N 3.35Å |
| 40 | F | 80 | Confident | 74.6 | Confident | 35 Ų | 35 | 79.7 Ų | 79.7 | 15% | 0.154 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -59.6 | -49.3 | 175.4 | -178.9 | -94.4 | 0 | 0 | 0 | 111.8 | V3 L19 F23 L27 N36 S42 F43 V44 | V3-F40 HydrophobicContact CG2-CD2 4.03Å; V3-F40 HydrophobicContact CG2-CE2 3.51Å; V3-F40 HydrophobicContact CG2-CZ 4.33Å; L19-F40 HydrophobicContact CD2-CE1 3.99Å; L19-F40 HydrophobicContact CD2-CZ 3.68Å; F23-F40 HydrophobicContact CB-CE2 3.59Å; F23-F40 HydrophobicContact CB-CZ 3.8Å; F23-F40 HydrophobicContact CD1-CE2 4.23Å; F23-F40 AromaticContact CD2-CE2 3.83Å; F23-F40 HydrophobicContact CD2-CE2 3.83Å; F23-F40 AromaticContact CD2-CZ 4Å; F23-F40 HydrophobicContact CD2-CZ 4Å; F23-F40 AromaticContact CG-CE2 3.6Å; F23-F40 HydrophobicContact CG-CE2 3.6Å; F23-F40 HydrophobicContact CG-CZ 4.05Å; L27-F40 HydrophobicContact CD1-CD1 4.38Å; L27-F40 HydrophobicContact CD1-CE1 4.48Å; L27-F40 HydrophobicContact CD1-CG 4.43Å; L27-F40 HydrophobicContact CD2-CB 4.23Å; L27-F40 HydrophobicContact CD2-CG 4.44Å; N36-F40 VanDerWaalsContact O-CB 3.28Å; N36-F40 WeakPolarHBondContact O-CB 3.46Å; N36-F40 PolarHBondContact O-N 2.85Å; F40-S42 VanDerWaalsContact C-N 3.33Å; F40-S42 PolarHBondContact O-N 2.97Å; F40-F43 PolarHBondContact O-N 3.25Å; F40-V44 HydrophobicContact CD1-CG2 4.23Å; F40-V44 HydrophobicContact CE1-CG2 4Å; F40-V44 HydrophobicContact CZ-CG2 4.27Å; F40-V44 WeakPolarHBondContact O-CG2 3.34Å; F40-V44 PolarHBondContact O-N 3.05Å |
| 41 | K | 83.4 | Confident | 75.7 | Confident | 128 Ų | 128 | 77 Ų | 77 | 56% | 0.557 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -58.8 | -41.4 | 175.6 | -174.7 | -179.8 | 178 | -175.1 | 0 | 112.3 | R37 D38 N45 | R37-K41 WeakPolarHBondContact O-CB 3.4Å; R37-K41 PolarHBondContact O-N 3.42Å; D38-K41 PolarHBondContact O-N 3.35Å; K41-N45 WeakPolarHBondContact O-CB 2.87Å; K41-N45 PolarHBondContact O-N 3.22Å; K41-N45 PolarHBondContact O-ND2 2.97Å |
| 42 | S | 82.8 | Confident | 77.1 | Confident | 77 Ų | 77 | 78.5 Ų | 78.5 | 54% | 0.538 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.2 | -44.7 | 175.6 | -171 | 0 | 0 | 0 | 0 | 112 | D38 R39 F40 N45 S46 | D38-S42 VanDerWaalsContact O-CB 3.3Å; D38-S42 WeakPolarHBondContact O-CB 3.43Å; D38-S42 PolarHBondContact O-N 3.32Å; R39-S42 PolarHBondContact O-N 3.4Å; F40-S42 VanDerWaalsContact C-N 3.33Å; F40-S42 PolarHBondContact O-N 2.97Å; S42-N45 PolarHBondContact O-N 2.87Å; S42-S46 PolarHBondContact O-N 2.9Å |
| 43 | F | 82 | Confident | 78 | Confident | 62 Ų | 62 | 74.5 Ų | 74.5 | 27% | 0.272 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -62.3 | -47.7 | 176.4 | -167.5 | -91.4 | 0 | 0 | 0 | 111.7 | V3 L4 R39 F40 N45 S46 V47 | V3-F43 HydrophobicContact CB-CD1 3.94Å; V3-F43 HydrophobicContact CB-CE1 3.92Å; V3-F43 HydrophobicContact CG1-CD1 4.5Å; V3-F43 HydrophobicContact CG2-CD1 4.36Å; L4-F43 HydrophobicContact CB-CE1 4.48Å; R39-F43 PolarHBondContact O-N 3.35Å; F40-F43 PolarHBondContact O-N 3.25Å; F43-N45 VanDerWaalsContact C-N 3.32Å; F43-N45 PolarHBondContact O-N 2.84Å; F43-S46 PolarHBondContact O-N 3.08Å; F43-S46 VanDerWaalsContact O-N 3.1Å; F43-V47 HydrophobicContact CD1-CG2 4.02Å; F43-V47 HydrophobicContact CE1-CB 4.4Å; F43-V47 HydrophobicContact CE1-CG2 3.66Å; F43-V47 HydrophobicContact CE2-CG2 4.32Å; F43-V47 HydrophobicContact CG-CG2 4.5Å; F43-V47 HydrophobicContact CZ-CG2 3.82Å; F43-V47 WeakPolarHBondContact O-CB 3.21Å; F43-V47 WeakPolarHBondContact O-CG2 3.28Å; F43-V47 PolarHBondContact O-N 2.91Å |
| 44 | V | 82.8 | Confident | 78.5 | Confident | 13 Ų | 13 | 80.9 Ų | 80.9 | 8% | 0.079 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -56.8 | -44.8 | 174.2 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | V3 F40 S46 V47 A48 V59 | V3-V44 HydrophobicContact CG1-CG2 4.1Å; F40-V44 HydrophobicContact CD1-CG2 4.23Å; F40-V44 HydrophobicContact CE1-CG2 4Å; F40-V44 HydrophobicContact CZ-CG2 4.27Å; F40-V44 WeakPolarHBondContact O-CG2 3.34Å; F40-V44 PolarHBondContact O-N 3.05Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 2.89Å; V44-V47 PolarHBondContact O-N 2.9Å; V44-A48 WeakPolarHBondContact O-CA 3.23Å; V44-A48 WeakPolarHBondContact O-CB 3.36Å; V44-A48 PolarHBondContact O-N 3.21Å; V44-V59 HydrophobicContact CG1-CG1 4.18Å |
| 45 | N | 85.3 | Confident | 79.1 | Confident | 87 Ų | 87 | 77.1 Ų | 77.1 | 47% | 0.465 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.2 | -24.8 | 177.7 | -72.5 | -13.4 | 0 | 0 | 0 | 114 | K41 S42 F43 R62 | K41-N45 WeakPolarHBondContact O-CB 2.87Å; K41-N45 PolarHBondContact O-N 3.22Å; K41-N45 PolarHBondContact O-ND2 2.97Å; S42-N45 PolarHBondContact O-N 2.87Å; F43-N45 VanDerWaalsContact C-N 3.32Å; F43-N45 PolarHBondContact O-N 2.84Å; N45-R62 PolarHBondContact O-NH1 2.92Å; N45-R62 PolarHBondContact O-NH2 2.93Å |
| 46 | S | 82.5 | Confident | 79.7 | Confident | 54 Ų | 54 | 78.6 Ų | 78.6 | 38% | 0.378 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -79.6 | -39.8 | 175.2 | -176 | 0 | 0 | 0 | 0 | 112.3 | S42 F43 V44 R62 K64 | S42-S46 PolarHBondContact O-N 2.9Å; F43-S46 PolarHBondContact O-N 3.08Å; F43-S46 VanDerWaalsContact O-N 3.1Å; V44-S46 VanDerWaalsContact C-N 3.31Å; V44-S46 PolarHBondContact O-N 2.89Å; S46-R62 WeakPolarHBondContact O-CD 3.31Å; S46-R62 PolarHBondContact O-NH1 2.83Å; S46-K64 WeakPolarHBondContact O-CE 3.43Å; S46-K64 PolarHBondContact O-NZ 3.44Å; S46-K64 VanDerWaalsContact O-NZ 3.15Å |
| 47 | V | 80.6 | Confident | 80.2 | Confident | 4 Ų | 4 | 78.6 Ų | 78.6 | 2% | 0.024 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -89.6 | -35.2 | -171.5 | 170.2 | 0 | 0 | 0 | 0 | 113.5 | L4 F43 V44 L61 R62 Y65 | L4-V47 HydrophobicContact CD1-CG1 3.66Å; L4-V47 HydrophobicContact CD1-CG2 4.44Å; F43-V47 HydrophobicContact CD1-CG2 4.02Å; F43-V47 HydrophobicContact CE1-CB 4.4Å; F43-V47 HydrophobicContact CE1-CG2 3.66Å; F43-V47 HydrophobicContact CE2-CG2 4.32Å; F43-V47 HydrophobicContact CG-CG2 4.5Å; F43-V47 HydrophobicContact CZ-CG2 3.82Å; F43-V47 WeakPolarHBondContact O-CB 3.21Å; F43-V47 WeakPolarHBondContact O-CG2 3.28Å; F43-V47 PolarHBondContact O-N 2.91Å; V44-V47 PolarHBondContact O-N 2.9Å; V47-L61 HydrophobicContact CG1-CD1 3.43Å; V47-L61 VanDerWaalsContact CG1-CD1 3.43Å; V47-R62 WeakPolarHBondContact O-CB 3.4Å; V47-R62 WeakPolarHBondContact O-CG 3.28Å; V47-R62 PolarHBondContact O-N 3.39Å; V47-Y65 HydrophobicContact CB-CD2 4.3Å; V47-Y65 HydrophobicContact CB-CE2 4.25Å; V47-Y65 HydrophobicContact CG1-CD2 4.11Å; V47-Y65 HydrophobicContact CG2-CD2 4.38Å; V47-Y65 HydrophobicContact CG2-CE2 4Å; V47-Y65 WeakPolarHBondContact O-CD2 3.32Å |
| 48 | A | 83.2 | Confident | 80.8 | Confident | 3 Ų | 3 | 71.2 Ų | 71.2 | 3% | 0.025 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 172.5 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L7 V44 V59 T60 R62 | L7-A48 HydrophobicContact CD1-CB 4.19Å; V44-A48 WeakPolarHBondContact O-CA 3.23Å; V44-A48 WeakPolarHBondContact O-CB 3.36Å; V44-A48 PolarHBondContact O-N 3.21Å; A48-V59 HydrophobicContact CB-CG1 3.43Å; A48-V59 VanDerWaalsContact CB-CG1 3.43Å; A48-T60 CarbonylContact C-O 3.42Å; A48-T60 WeakPolarHBondContact CA-O 3.45Å; A48-T60 VanDerWaalsContact CB-O 3.28Å; A48-T60 WeakPolarHBondContact CB-O 3.37Å; A48-R62 PolarHBondContact O-NE 3.28Å |
| 49 | T | 85.7 | Confident | 81.3 | Confident | 64 Ų | 64 | 67.4 Ų | 67.4 | 39% | 0.393 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 118.2 | 170.7 | 29.4 | 0 | 0 | 0 | 0 | 107.6 | S51 T60 R62 | T49-S51 PolarHBondContact O-N 3.41Å; T49-T60 PolarHBondContact N-O 2.81Å; T49-T60 PolarHBondContact O-N 2.94Å; T49-T60 PolarHBondContact O-OG1 3.1Å; T49-T60 PolarHBondContact OG1-O 3.15Å; T49-T60 PolarHBondContact OG1-OG1 3.04Å; T49-R62 HydrophobicContact CG2-CG 4.11Å |
| 50 | V | 84.1 | Confident | 81.6 | Confident | 84 Ų | 84 | 60.2 Ų | 60.2 | 51% | 0.509 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 117.9 | 175.3 | -172.3 | 0 | 0 | 0 | 0 | 108.1 | V59 | V50-V59 HydrophobicContact CG2-CG2 4.41Å |
| 51 | S | 80.8 | Confident | 81.9 | Confident | 37 Ų | 37 | 58.7 Ų | 58.7 | 26% | 0.259 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 146.6 | 175 | 51.3 | 0 | 0 | 0 | 0 | 109.3 | T49 T58 | T49-S51 PolarHBondContact O-N 3.41Å; S51-T58 PolarHBondContact N-O 3.02Å; S51-T58 PolarHBondContact O-N 3.29Å; S51-T58 VanDerWaalsContact O-O 3.05Å; S51-T58 PolarHBondContact OG-O 3.01Å |
| 52 | K | 84.8 | Confident | 81.8 | Confident | 155 Ų | 155 | 57.1 Ų | 57.1 | 67% | 0.674 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 117.7 | 171.7 | -161.6 | 177.1 | -175.5 | -176.8 | 0 | 108.7 | G55 V56 | K52-G55 WeakPolarHBondContact CE-O 3.34Å; K52-V56 CarbonylContact C-O 3.6Å; K52-V56 WeakPolarHBondContact CA-O 3.49Å |
| 53 | I | 76.8 | Confident | 81.5 | Confident | 85 Ų | 85 | 62.5 Ų | 62.5 | 44% | 0.436 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 127.2 | -176.9 | -55.3 | 176.4 | 0 | 0 | 0 | 106.2 | G55 V56 | I53-G55 PolarHBondContact O-N 3.39Å; I53-G55 VanDerWaalsContact O-N 3.12Å; I53-V56 PolarHBondContact N-O 2.83Å; I53-V56 PolarHBondContact O-N 2.81Å; I53-V56 VanDerWaalsContact O-O 3.07Å |
| 54 | D | 69.6 | Low | 81.1 | Confident | 157 Ų | 157 | 65.3 Ų | 65.3 | 84% | 0.84 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.5 | 41.6 | 177.5 | -49.6 | -33 | 0 | 0 | 0 | 114.1 | V56 | D54-V56 PolarHBondContact O-N 3.48Š|
| 55 | G | 73.4 | Confident | 80.5 | Confident | 57 Ų | 57 | 67.8 Ų | 67.8 | 59% | 0.588 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.9 | -17.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K52 I53 | K52-G55 WeakPolarHBondContact CE-O 3.34Å; I53-G55 PolarHBondContact O-N 3.39Å; I53-G55 VanDerWaalsContact O-N 3.12Å |
| 56 | V | 78.1 | Confident | 79.6 | Confident | 64 Ų | 64 | 70.3 Ų | 70.3 | 39% | 0.388 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 137.5 | -179.2 | -177.1 | 0 | 0 | 0 | 0 | 111 | K15 K52 I53 D54 | K15-V56 HydrophobicContact CB-CG1 4.48Å; K15-V56 HydrophobicContact CD-CG1 4.33Å; K15-V56 HydrophobicContact CG-CG1 4.41Å; K52-V56 CarbonylContact C-O 3.6Å; K52-V56 WeakPolarHBondContact CA-O 3.49Å; I53-V56 PolarHBondContact N-O 2.83Å; I53-V56 PolarHBondContact O-N 2.81Å; I53-V56 VanDerWaalsContact O-O 3.07Å; D54-V56 PolarHBondContact O-N 3.48Å |
| 57 | S | 83.5 | Confident | 78.2 | Confident | 51 Ų | 51 | 70.6 Ų | 70.6 | 36% | 0.357 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 118.2 | 170.7 | -62 | 0 | 0 | 0 | 0 | 110.1 | N16 | N16-S57 WeakPolarHBondContact CB-O 3.29Å; N16-S57 PolarHBondContact N-O 3.01Å |
| 58 | T | 85.3 | Confident | 76.9 | Confident | 23 Ų | 23 | 75.2 Ų | 75.2 | 14% | 0.141 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 136.2 | -176.7 | -61.5 | 0 | 0 | 0 | 0 | 110 | S51 T60 | S51-T58 PolarHBondContact N-O 3.02Å; S51-T58 PolarHBondContact O-N 3.29Å; S51-T58 VanDerWaalsContact O-O 3.05Å; S51-T58 PolarHBondContact OG-O 3.01Å; T58-T60 HydrophobicContact CG2-CG2 4.25Å |
| 59 | V | 85.4 | Confident | 75.2 | Confident | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 108.9 | -177.9 | -176.6 | 0 | 0 | 0 | 0 | 108 | L7 S13 A14 N16 L19 V44 A48 V50 | L7-V59 HydrophobicContact CD1-CG1 4.05Å; L7-V59 HydrophobicContact CD2-CB 4.39Å; L7-V59 HydrophobicContact CD2-CG1 4.22Å; S13-V59 VanDerWaalsContact CA-O 3.31Å; S13-V59 WeakPolarHBondContact CA-O 3.48Å; A14-V59 PolarHBondContact N-O 2.96Å; A14-V59 VanDerWaalsContact N-O 3.08Å; A14-V59 PolarHBondContact O-N 2.94Å; N16-V59 HydrophobicContact CB-CG2 4.34Å; L19-V59 HydrophobicContact CD1-CB 4.19Å; L19-V59 HydrophobicContact CD1-CG1 4.06Å; L19-V59 HydrophobicContact CD1-CG2 4.24Å; V44-V59 HydrophobicContact CG1-CG1 4.18Å; A48-V59 HydrophobicContact CB-CG1 3.43Å; A48-V59 VanDerWaalsContact CB-CG1 3.43Å; V50-V59 HydrophobicContact CG2-CG2 4.41Å |
| 60 | T | 83.6 | Confident | 73 | Confident | 25 Ų | 25 | 83.4 Ų | 83.4 | 15% | 0.153 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 133.8 | -176.3 | 61.2 | 0 | 0 | 0 | 0 | 111 | A48 T49 T58 | A48-T60 CarbonylContact C-O 3.42Å; A48-T60 WeakPolarHBondContact CA-O 3.45Å; A48-T60 VanDerWaalsContact CB-O 3.28Å; A48-T60 WeakPolarHBondContact CB-O 3.37Å; T49-T60 PolarHBondContact N-O 2.81Å; T49-T60 PolarHBondContact O-N 2.94Å; T49-T60 PolarHBondContact O-OG1 3.1Å; T49-T60 PolarHBondContact OG1-O 3.15Å; T49-T60 PolarHBondContact OG1-OG1 3.04Å; T58-T60 HydrophobicContact CG2-CG2 4.25Å |
| 61 | L | 86.7 | Confident | 70.8 | Confident | 2 Ų | 2 | 87.3 Ų | 87.3 | 1% | 0.01 | 47% | 0.473 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 134.3 | -177.8 | -161.6 | 71.4 | 0 | 0 | 0 | 110.6 | L4 L7 Q8 G12 V47 Y65 R66 | L4-L61 HydrophobicContact CD1-CD1 4.29Å; L7-L61 HydrophobicContact CB-CD1 3.97Å; L7-L61 HydrophobicContact CD1-CD1 3.98Å; Q8-L61 HydrophobicContact CG-CD2 3.84Å; G12-L61 VanDerWaalsContact O-CB 3.28Å; G12-L61 WeakPolarHBondContact O-CB 3.44Å; G12-L61 PolarHBondContact O-N 3.02Å; V47-L61 HydrophobicContact CG1-CD1 3.43Å; V47-L61 VanDerWaalsContact CG1-CD1 3.43Å; L61-Y65 VanDerWaalsContact CD2-O 3.32Å; L61-Y65 WeakPolarHBondContact CD2-O 3.34Å; L61-R66 HydrophobicContact CB-CG 4.27Å; L61-R66 HydrophobicContact CD2-CG 4.17Å; L61-R66 HydrophobicContact CG-CG 4.45Å; L61-R66 PolarHBondContact O-NE 2.97Å; L61-R66 PolarHBondContact O-NH2 2.96Å |
| 62 | R | 81.6 | Confident | 68.6 | Low | 95 Ų | 95 | 92.5 Ų | 92.5 | 36% | 0.358 | 50% | 0.498 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 145.9 | 178.1 | -72.4 | 170 | 170.9 | -167.1 | -12.1 | 110.8 | N45 S46 V47 A48 T49 K64 Y65 | N45-R62 PolarHBondContact O-NH1 2.92Å; N45-R62 PolarHBondContact O-NH2 2.93Å; S46-R62 WeakPolarHBondContact O-CD 3.31Å; S46-R62 PolarHBondContact O-NH1 2.83Å; V47-R62 WeakPolarHBondContact O-CB 3.4Å; V47-R62 WeakPolarHBondContact O-CG 3.28Å; V47-R62 PolarHBondContact O-N 3.39Å; A48-R62 PolarHBondContact O-NE 3.28Å; T49-R62 HydrophobicContact CG2-CG 4.11Å; R62-K64 HydrophobicContact CB-CG 4.11Å; R62-K64 PolarHBondContact O-N 2.79Å; R62-Y65 HydrophobicContact CB-CD2 4.46Å; R62-Y65 PolarHBondContact O-N 3.12Å |
| 63 | K | 75.7 | Confident | 66.6 | Low | 191 Ų | 191 | 91.3 Ų | 91.3 | 83% | 0.83 | 51% | 0.506 | S | S | * | . | G | 310 helix | trans | -50.6 | -38.6 | -174.2 | -164.5 | 175 | -177.8 | -179.8 | 0 | 113.4 | Y65 R66 | K63-Y65 PolarHBondContact O-N 3.47Å; K63-Y65 VanDerWaalsContact O-N 3.1Å; K63-R66 PolarHBondContact O-N 2.78Å; K63-R66 VanDerWaalsContact O-N 3.16Å |
| 64 | K | 74.3 | Confident | 64.7 | Low | 121 Ų | 121 | 92.7 Ų | 92.7 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | G | 310 helix | trans | -56.2 | -20.6 | 175.1 | 55.4 | 160.4 | 172.9 | 155.3 | 0 | 115.8 | S46 R62 | S46-K64 WeakPolarHBondContact O-CE 3.43Å; S46-K64 PolarHBondContact O-NZ 3.44Å; S46-K64 VanDerWaalsContact O-NZ 3.15Å; R62-K64 HydrophobicContact CB-CG 4.11Å; R62-K64 PolarHBondContact O-N 2.79Å |
| 65 | Y | 70.1 | Confident | 63.1 | Low | 64 Ų | 64 | 93.9 Ų | 93.9 | 25% | 0.251 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -112.6 | -2.5 | -179.6 | -63.3 | -58.6 | 0 | 0 | 0 | 114 | L4 Q8 V47 L61 R62 K63 G67 | L4-Y65 HydrophobicContact CD1-CD1 3.88Å; L4-Y65 HydrophobicContact CD1-CD2 4.43Å; L4-Y65 HydrophobicContact CD1-CG 3.79Å; Q8-Y65 PolarHBondContact NE2-O 2.91Å; V47-Y65 HydrophobicContact CB-CD2 4.3Å; V47-Y65 HydrophobicContact CB-CE2 4.25Å; V47-Y65 HydrophobicContact CG1-CD2 4.11Å; V47-Y65 HydrophobicContact CG2-CD2 4.38Å; V47-Y65 HydrophobicContact CG2-CE2 4Å; V47-Y65 WeakPolarHBondContact O-CD2 3.32Å; L61-Y65 VanDerWaalsContact CD2-O 3.32Å; L61-Y65 WeakPolarHBondContact CD2-O 3.34Å; R62-Y65 HydrophobicContact CB-CD2 4.46Å; R62-Y65 PolarHBondContact O-N 3.12Å; K63-Y65 PolarHBondContact O-N 3.47Å; K63-Y65 VanDerWaalsContact O-N 3.1Å; Y65-G67 VanDerWaalsContact C-N 3.3Å |
| 66 | R | 65.8 | Low | 61.2 | Low | 140 Ų | 140 | 99.3 Ų | 99.3 | 53% | 0.528 | 54% | 0.539 | S | S | . | . | S | Bend | trans | -78.9 | -13.5 | 173.5 | -62.9 | -171.5 | -172 | -158.3 | 0.6 | 113.1 | L61 K63 | L61-R66 HydrophobicContact CB-CG 4.27Å; L61-R66 HydrophobicContact CD2-CG 4.17Å; L61-R66 HydrophobicContact CG-CG 4.45Å; L61-R66 PolarHBondContact O-NE 2.97Å; L61-R66 PolarHBondContact O-NH2 2.96Å; K63-R66 PolarHBondContact O-N 2.78Å; K63-R66 VanDerWaalsContact O-N 3.16Å |
| 67 | G | 54 | Low | 59 | Low | 61 Ų | 61 | 104.8 Ų | 104.8 | 63% | 0.629 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -85.3 | -16.2 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y65 A69 | Y65-G67 VanDerWaalsContact C-N 3.3Å; G67-A69 PolarHBondContact O-N 3.05Å |
| 68 | T | 52.7 | Low | 56.7 | Low | 100 Ų | 100 | 109.3 Ų | 109.3 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | trans | -85.2 | 57 | -179.9 | 61.9 | 0 | 0 | 0 | 0 | 111.2 | Q8 | Q8-T68 PolarHBondContact NE2-OG1 2.94Š| ||
| 69 | A | 46.7 | Very low | 54.2 | Low | 77 Ų | 77 | 114.3 Ų | 114.3 | 64% | 0.636 | 61% | 0.612 | S | S | * | * | trans | -133 | 31.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G67 | G67-A69 PolarHBondContact O-N 3.05Š| ||
| 70 | L | 40.9 | Very low | 51.5 | Low | 162 Ų | 162 | 119.9 Ų | 119.9 | 85% | 0.848 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -133 | 40.7 | 174.4 | -74.1 | -179.8 | 0 | 0 | 0 | 112.1 | ||
| 71 | L | 36.2 | Very low | 49 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 87% | 0.869 | 67% | 0.674 | S | S | * | * | trans | -138.4 | 111.4 | 156.5 | -75.7 | -179.7 | 0 | 0 | 0 | 107.9 | ||||
| 72 | N | 36.1 | Very low | 46.2 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 79% | 0.786 | 72% | 0.715 | S | S | * | * | trans | -78 | 132.5 | 172.1 | -66.5 | -20.6 | 0 | 0 | 0 | 108.8 | S74 | N72-S74 PolarHBondContact O-N 3.27Å; N72-S74 VanDerWaalsContact O-N 3.09Å | ||
| 73 | P | 42.7 | Very low | 43.6 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 84% | 0.844 | 73% | 0.731 | S | S | * | * | trans | -76.6 | 90.7 | 165.9 | 31.2 | -31.5 | 0 | 0 | 0 | 109.1 | E75 | P73-E75 PolarHBondContact O-N 2.82Š| ||
| 74 | S | 35.9 | Very low | 41.3 | Very low | 113 Ų | 113 | 133.2 Ų | 133.2 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | trans | -86.6 | 77.6 | 176.7 | 58.3 | 0 | 0 | 0 | 0 | 111.4 | N72 | N72-S74 PolarHBondContact O-N 3.27Å; N72-S74 VanDerWaalsContact O-N 3.09Å | ||
| 75 | E | 37.1 | Very low | 39 | Very low | 183 Ų | 183 | 131.8 Ų | 131.8 | 86% | 0.855 | 74% | 0.735 | S | S | * | * | trans | -129.8 | 76.2 | 168.4 | -72.4 | -164 | 146.3 | 0 | 0 | 111.1 | P73 M77 | P73-E75 PolarHBondContact O-N 2.82Å; E75-M77 PolarHBondContact O-N 3.06Å | ||
| 76 | D | 31.9 | Very low | 37.2 | Very low | 170 Ų | 170 | 137.1 Ų | 137.1 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -72.8 | 83.2 | 157.6 | -84.1 | -46.5 | 0 | 0 | 0 | 108.6 | L78 | D76-L78 VanDerWaalsContact C-N 3.29Å; D76-L78 PolarHBondContact O-N 3.16Å | ||
| 77 | M | 33 | Very low | 35.4 | Very low | 179 Ų | 179 | 137.5 Ų | 137.5 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -72.8 | 82.6 | 176.8 | -169.5 | -175 | -177.1 | 0 | 0 | 110.5 | E75 V79 | E75-M77 PolarHBondContact O-N 3.06Å; M77-V79 PolarHBondContact O-N 2.87Å | ||
| 78 | L | 34.6 | Very low | 34.2 | Very low | 147 Ų | 147 | 140.3 Ų | 140.3 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -70.8 | 114.1 | -176.7 | -167.7 | 137.6 | 0 | 0 | 0 | 111.8 | D76 T80 | D76-L78 VanDerWaalsContact C-N 3.29Å; D76-L78 PolarHBondContact O-N 3.16Å; L78-T80 PolarHBondContact O-N 3.1Å | ||
| 79 | V | 33.5 | Very low | 33.1 | Very low | 127 Ų | 127 | 143.4 Ų | 143.4 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -67 | 118 | -179.3 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | M77 V81 | M77-V79 PolarHBondContact O-N 2.87Å; V79-V81 HydrophobicContact CG1-CG2 4.45Å | ||
| 80 | T | 28.6 | Very low | 32.2 | Very low | 117 Ų | 117 | 143.2 Ų | 143.2 | 72% | 0.718 | 79% | 0.787 | S | S | * | * | trans | -128.9 | 107.9 | 166 | -60 | 0 | 0 | 0 | 0 | 110.5 | L78 | L78-T80 PolarHBondContact O-N 3.1Š| ||
| 81 | V | 30.3 | Very low | 31.6 | Very low | 122 Ų | 122 | 142.6 Ų | 142.6 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -107.1 | 113.2 | 168.4 | 176.2 | 0 | 0 | 0 | 0 | 108.7 | V79 | V79-V81 HydrophobicContact CG1-CG2 4.45Š| ||
| 82 | R | 28.8 | Very low | 31.3 | Very low | 227 Ų | 227 | 138.6 Ų | 138.6 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | trans | -171.2 | 94 | 155 | -96.8 | 140 | -169.3 | -176.3 | 3.9 | 109 | ||||
| 83 | T | 26.3 | Very low | 31 | Very low | 115 Ų | 115 | 142.7 Ų | 142.7 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | 50.9 | 132.4 | 97.6 | 22.5 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 84 | T | 27 | Very low | 30.3 | Very low | 129 Ų | 129 | 141.4 Ų | 141.4 | 79% | 0.791 | 77% | 0.769 | S | S | * | * | trans | 63.2 | 140 | 158 | 55.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 85 | S | 27.3 | Very low | 29.8 | Very low | 92 Ų | 92 | 145.1 Ų | 145.1 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | cis | -173.4 | 158.8 | -2.8 | -100.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 86 | Q | 31.1 | Very low | 29.4 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | 67.2 | 157.5 | 161.3 | -63.7 | 163.9 | 2.3 | 0 | 0 | 116.3 | ||||
| 87 | H | 29 | Very low | 29.3 | Very low | 149 Ų | 149 | 144 Ų | 144 | 69% | 0.69 | 76% | 0.761 | S | S | * | * | cis | -153.7 | 149.8 | 2 | -141.1 | -151.9 | 0 | 0 | 0 | 113.4 | ||||
| 88 | L | 29.2 | Very low | 29.2 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | trans | 42.7 | 127.2 | 151.8 | -60.5 | 179.6 | 0 | 0 | 0 | 125.3 | ||||
| 89 | L | 29.6 | Very low | 29 | Very low | 164 Ų | 164 | 140.4 Ų | 140.4 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | 65.2 | 156.2 | 125.1 | -60.3 | 174.2 | 0 | 0 | 0 | 123.7 | |||||
| 90 | G | 27.7 | Very low | 28.8 | Very low | 73 Ų | 73 | 139.3 Ų | 139.3 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | 94.9 | 93.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 91 | D | 27.1 | Very low | 29.1 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 80% | 0.802 | 75% | 0.749 | S | S | * | * | cis | 83.2 | 125.5 | 47.7 | -161.3 | 29.8 | 0 | 0 | 0 | 115.8 | ||||
| 92 | S | 30.5 | Very low | 30.1 | Very low | 82 Ų | 82 | 141.9 Ų | 141.9 | 57% | 0.573 | 75% | 0.747 | S | S | * | * | trans | 26.1 | 129.9 | 156.3 | -64.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 93 | R | 29.5 | Very low | 30.7 | Very low | 232 Ų | 232 | 137 Ų | 137 | 88% | 0.875 | 75% | 0.745 | S | S | * | * | trans | 79.5 | 112.7 | 136.4 | -70.3 | 170.9 | 177.6 | 174.5 | -0.5 | 121.3 | ||||
| 94 | S | 28 | Very low | 30.8 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | 100.1 | 123.2 | 113.6 | 72.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 95 | F | 25.8 | Very low | 31 | Very low | 190 Ų | 190 | 138.3 Ų | 138.3 | 83% | 0.833 | 74% | 0.742 | S | S | * | * | trans | 81.4 | 161.7 | 133.5 | -99.1 | -98.8 | 0 | 0 | 0 | 123.8 | ||||
| 96 | I | 29.3 | Very low | 31 | Very low | 154 Ų | 154 | 141.8 Ų | 141.8 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | trans | 86.1 | 118.8 | 177.1 | -57.2 | 175.5 | 0 | 0 | 0 | 113.6 | ||||
| 97 | K | 30 | Very low | 30.9 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | cis | 86.9 | 150.1 | 21.4 | -137.9 | -170.9 | 175.4 | -171.4 | 0 | 112.5 | ||||
| 98 | V | 30.5 | Very low | 30.9 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 54% | 0.539 | 73% | 0.73 | S | S | . | * | cis | -153.5 | 176 | 21.8 | -154 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 99 | H | 29 | Very low | 30.9 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | trans | 100.7 | 130.6 | 163 | -53.3 | 109.3 | 0 | 0 | 0 | 116.7 | ||||
| 100 | S | 31.1 | Very low | 30.7 | Very low | 104 Ų | 104 | 137.5 Ų | 137.5 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | cis | 82 | 142.8 | 24.7 | -42.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 101 | Q | 34.7 | Very low | 30.8 | Very low | 186 Ų | 186 | 138.6 Ų | 138.6 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | cis | -148.2 | 178.2 | 29 | -88.1 | -170.9 | -22.4 | 0 | 0 | 113.9 | ||||
| 102 | P | 50.9 | Low | 31 | Very low | 107 Ų | 107 | 140.1 Ų | 140.1 | 70% | 0.695 | 73% | 0.728 | S | S | * | * | trans | -103.9 | -169 | 175.4 | 42.7 | -36 | 0 | 0 | 0 | 113.6 | ||||
| 103 | P | 42.1 | Very low | 30.9 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 73% | 0.733 | S | S | * | * | trans | -126.3 | -177.5 | 146.8 | 39.3 | -28.7 | 0 | 0 | 0 | 114.1 | ||||
| 104 | T | 26.4 | Very low | 31 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 68% | 0.675 | 73% | 0.729 | S | S | * | * | trans | -138.2 | -166.7 | -161 | 33.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 105 | E | 31.6 | Very low | 31.2 | Very low | 162 Ų | 162 | 137.3 Ų | 137.3 | 76% | 0.757 | 73% | 0.733 | S | S | * | * | trans | 74.1 | 149.6 | 169.5 | -71 | 116.5 | -106.7 | 0 | 0 | 118 | ||||
| 106 | E | 27.7 | Very low | 31.4 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | cis | -151.7 | 162.1 | 0.9 | -133.8 | -176.6 | -179.6 | 0 | 0 | 114.9 | ||||
| 107 | E | 29.7 | Very low | 31.8 | Very low | 127 Ų | 127 | 131.6 Ų | 131.6 | 59% | 0.593 | 72% | 0.72 | S | S | * | * | trans | 28.3 | 154 | 144.3 | -79.2 | -127.1 | 127.8 | 0 | 0 | 123.9 | R109 | E107-R109 IonicContact OE1-CZ 3.16Å; E107-R109 IonicContact OE1-NE 3.81Å; E107-R109 PolarHBondContact OE1-NE 3.45Å; E107-R109 VanDerWaalsContact OE1-NE 3.16Å; E107-R109 IonicContact OE1-NH2 2.65Å; E107-R109 PolarHBondContact OE1-NH2 3.33Å; E107-R109 IonicContact OE2-NE 2.71Å; E107-R109 IonicContact OE2-NH2 3.37Å | ||
| 108 | S | 28 | Very low | 31.9 | Very low | 78 Ų | 78 | 131 Ų | 131 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | cis | -170.1 | 168.6 | -7.3 | 51.5 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 109 | R | 29.5 | Very low | 32.1 | Very low | 189 Ų | 189 | 132.1 Ų | 132.1 | 71% | 0.713 | 74% | 0.736 | S | S | * | * | trans | 58 | 117.7 | 143.1 | -70.8 | 155.7 | -145.9 | -136.6 | 11.6 | 119.6 | E107 | E107-R109 IonicContact OE1-CZ 3.16Å; E107-R109 IonicContact OE1-NE 3.81Å; E107-R109 PolarHBondContact OE1-NE 3.45Å; E107-R109 VanDerWaalsContact OE1-NE 3.16Å; E107-R109 IonicContact OE1-NH2 2.65Å; E107-R109 PolarHBondContact OE1-NH2 3.33Å; E107-R109 IonicContact OE2-NE 2.71Å; E107-R109 IonicContact OE2-NH2 3.37Å | ||
| 110 | T | 25.6 | Very low | 32.2 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | 54.8 | 135.8 | 83.7 | 61.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 111 | S | 30.6 | Very low | 33 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | cis | -176.5 | 174.7 | 8.9 | 39.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 112 | Q | 30.6 | Very low | 32.8 | Very low | 183 Ų | 183 | 123.8 Ų | 123.8 | 86% | 0.855 | 72% | 0.724 | S | S | * | * | trans | 83.9 | 122.4 | 148.4 | -131.5 | 79.6 | -13.6 | 0 | 0 | 121.7 | ||||
| 113 | G | 28.8 | Very low | 31.9 | Very low | 66 Ų | 66 | 127.2 Ų | 127.2 | 68% | 0.68 | 73% | 0.728 | S | S | * | * | trans | 77.6 | 162.5 | 150 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 114 | T | 31 | Very low | 31.4 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | cis | -163.5 | 152.9 | -19.4 | -13.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 115 | M | 31.8 | Very low | 31.6 | Very low | 165 Ų | 165 | 131.7 Ų | 131.7 | 81% | 0.813 | 73% | 0.732 | S | S | * | * | trans | 74.8 | 140.1 | 153.3 | -80.3 | 164.5 | 170 | 0 | 0 | 123.3 | ||||
| 116 | D | 30.8 | Very low | 31.5 | Very low | 128 Ų | 128 | 129.6 Ų | 129.6 | 68% | 0.684 | 73% | 0.731 | S | S | * | * | trans | 60.9 | 125.2 | 155 | -70.4 | -60 | 0 | 0 | 0 | 122 | ||||
| 117 | S | 37.1 | Very low | 31.6 | Very low | 96 Ų | 96 | 127.4 Ų | 127.4 | 67% | 0.671 | 73% | 0.734 | S | S | * | * | 74.7 | 128.3 | 62.9 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 118 | L | 33.6 | Very low | 31.8 | Very low | 164 Ų | 164 | 130.7 Ų | 130.7 | 86% | 0.859 | 75% | 0.749 | S | S | * | * | cis | -137.2 | -176.3 | 11.5 | -60.9 | 165.8 | 0 | 0 | 0 | 108.4 | ||||
| 119 | S | 32.8 | Very low | 31.9 | Very low | 111 Ų | 111 | 130 Ų | 130 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | cis | -156.4 | 154.4 | -0.4 | 26.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 120 | G | 31.9 | Very low | 31.9 | Very low | 68 Ų | 68 | 127.4 Ų | 127.4 | 70% | 0.701 | 76% | 0.76 | S | S | * | * | trans | -89.7 | -142.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 121 | P | 47.2 | Very low | 32.2 | Very low | 118 Ų | 118 | 127.2 Ų | 127.2 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | cis | -145.2 | 170.3 | -3.7 | 44.9 | -27.7 | 0 | 0 | 0 | 116.7 | ||||
| 122 | S | 30.4 | Very low | 32.2 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | trans | 30.5 | 145.8 | 135.8 | 76 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 123 | K | 33.8 | Very low | 32.3 | Very low | 180 Ų | 180 | 124.4 Ų | 124.4 | 78% | 0.783 | 75% | 0.748 | S | S | * | * | cis | -159.2 | 146.6 | 49.9 | -77.5 | 179.9 | -174.7 | 171.2 | 0 | 109.6 | ||||
| 124 | S | 31 | Very low | 32.6 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | 62.8 | 143.3 | 78.2 | 117.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 125 | R | 30.4 | Very low | 32.7 | Very low | 227 Ų | 227 | 128.1 Ų | 128.1 | 86% | 0.857 | 76% | 0.757 | S | S | * | * | cis | -162.1 | 172.8 | -4.7 | -132.9 | -179.9 | -168.5 | -170.2 | 2.9 | 110.8 | ||||
| 126 | T | 29.1 | Very low | 32.6 | Very low | 117 Ų | 117 | 123.7 Ų | 123.7 | 72% | 0.718 | 75% | 0.753 | S | S | * | * | trans | -39.4 | 144.3 | 161.6 | 50.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 127 | S | 30.2 | Very low | 33.4 | Very low | 119 Ų | 119 | 124 Ų | 124 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | 175 | 168.2 | 105 | 62.5 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 128 | E | 33.3 | Very low | 33 | Very low | 196 Ų | 196 | 124.3 Ų | 124.3 | 92% | 0.916 | 76% | 0.764 | S | S | * | * | trans | -82 | 167 | 169.4 | -58 | 164.5 | 113 | 0 | 0 | 111.6 | ||||
| 129 | G | 29.4 | Very low | 33 | Very low | 64 Ų | 64 | 125.6 Ų | 125.6 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | trans | 138.9 | 120.7 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 130 | T | 29.9 | Very low | 33 | Very low | 134 Ų | 134 | 125.2 Ų | 125.2 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | 84.3 | 146.4 | 137.6 | -4.8 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 131 | T | 32.8 | Very low | 32.9 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 74% | 0.742 | 77% | 0.768 | S | S | * | * | trans | 65.5 | 154.1 | 163.6 | 71.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 132 | D | 29.3 | Very low | 32.2 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | cis | -151.1 | 169.4 | 1 | -142.5 | -64.7 | 0 | 0 | 0 | 113.8 | ||||
| 133 | S | 33.7 | Very low | 32.3 | Very low | 84 Ų | 84 | 131.5 Ų | 131.5 | 59% | 0.587 | 77% | 0.766 | S | S | * | * | trans | 85.6 | 107.9 | 137.7 | -78.8 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 134 | L | 34.8 | Very low | 32.2 | Very low | 152 Ų | 152 | 132 Ų | 132 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | 82.6 | 112.2 | 118.6 | -66.1 | 173.1 | 0 | 0 | 0 | 123.5 | |||||
| 135 | S | 33 | Very low | 32.1 | Very low | 120 Ų | 120 | 129.9 Ų | 129.9 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | trans | 80.7 | 143.4 | 132.7 | 72.1 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 136 | G | 29.7 | Very low | 32.2 | Very low | 72 Ų | 72 | 125.7 Ų | 125.7 | 74% | 0.742 | 77% | 0.766 | S | S | * | * | trans | -105.1 | -135.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 137 | P | 47 | Very low | 32.4 | Very low | 134 Ų | 134 | 128.2 Ų | 128.2 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | cis | -132.7 | -178.8 | 31.3 | 42.5 | -27.4 | 0 | 0 | 0 | 115.9 | ||||
| 138 | S | 29.8 | Very low | 32.3 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -113.2 | 156.3 | 172 | 57.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 139 | K | 33.9 | Very low | 32.3 | Very low | 191 Ų | 191 | 124.8 Ų | 124.8 | 83% | 0.83 | 76% | 0.757 | S | S | * | * | trans | 171.8 | 126.6 | 150.7 | -96 | 150.6 | -167.9 | 175.4 | 0 | 110.2 | ||||
| 140 | S | 31.7 | Very low | 32.5 | Very low | 104 Ų | 104 | 127.4 Ų | 127.4 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 57.9 | 140.7 | 91.5 | 84.6 | 0 | 0 | 0 | 0 | 114 | |||||
| 141 | R | 30.8 | Very low | 32.5 | Very low | 229 Ų | 229 | 126.5 Ų | 126.5 | 86% | 0.864 | 77% | 0.765 | S | S | * | * | cis | -174.6 | 119.8 | 47.9 | -179.9 | 176.6 | -177.1 | 175.2 | 0.4 | 107.9 | ||||
| 142 | A | 31.4 | Very low | 32.2 | Very low | 84 Ų | 84 | 123.8 Ų | 123.8 | 69% | 0.694 | 76% | 0.761 | S | S | * | * | 74.2 | 126.8 | 89.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 143 | S | 33 | Very low | 32.3 | Very low | 94 Ų | 94 | 125.7 Ų | 125.7 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | 71.9 | 136 | 141.3 | 59 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 144 | Q | 33 | Very low | 32.2 | Very low | 191 Ų | 191 | 127.7 Ų | 127.7 | 89% | 0.893 | 78% | 0.78 | S | S | * | * | trans | 71.7 | 146.1 | 155 | -65.5 | 149.2 | -27.6 | 0 | 0 | 117.7 | ||||
| 145 | G | 28.5 | Very low | 32.7 | Very low | 58 Ų | 58 | 126.8 Ų | 126.8 | 60% | 0.598 | 78% | 0.783 | S | S | * | * | cis | 172.1 | -177.7 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 146 | T | 32.5 | Very low | 32.6 | Very low | 139 Ų | 139 | 128.8 Ų | 128.8 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | 66.8 | 156.5 | 170.5 | 68.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 147 | M | 32.8 | Very low | 32.7 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 84% | 0.837 | 77% | 0.77 | S | S | * | * | cis | -159 | -173.5 | -28.9 | -114.2 | 171.3 | 175 | 0 | 0 | 110 | ||||
| 148 | D | 28.5 | Very low | 31.9 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | trans | 68.2 | 129.2 | -179.3 | -69.8 | -45.1 | 0 | 0 | 0 | 117.8 | ||||
| 149 | S | 33.5 | Very low | 32 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 76% | 0.763 | S | S | * | * | cis | 94.7 | 134.3 | 9.7 | -49.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 150 | S | 32.1 | Very low | 31.9 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | trans | 67.1 | 150.6 | 169.7 | -46.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 151 | S | 30.1 | Very low | 31.9 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 75% | 0.748 | S | S | * | * | cis | -156.9 | 145.8 | -18.1 | 36.4 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 152 | G | 27.9 | Very low | 31.9 | Very low | 64 Ų | 64 | 130 Ų | 130 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | 89.2 | 106.1 | 67.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 153 | D | 29.7 | Very low | 32.8 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 94% | 0.936 | 74% | 0.744 | S | S | * | * | trans | 173.9 | 139.6 | 134.7 | -90.4 | -18.9 | 0 | 0 | 0 | 114.7 | ||||
| 154 | T | 32.1 | Very low | 32.6 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 77% | 0.773 | 75% | 0.751 | S | S | * | * | trans | -109.4 | 155.2 | 161.1 | 40.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 155 | P | 46.1 | Very low | 32.4 | Very low | 133 Ų | 133 | 130.3 Ų | 130.3 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | -134.3 | -128.4 | 98.9 | 33.3 | -18.1 | 0 | 0 | 0 | 115 | |||||
| 156 | E | 30.7 | Very low | 33.3 | Very low | 162 Ų | 162 | 133.5 Ų | 133.5 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | -154.5 | 170.9 | -134.9 | -149.2 | -79.8 | 109.8 | 0 | 0 | 113.5 | ||||
| 157 | S | 30.9 | Very low | 33.2 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 55% | 0.552 | 75% | 0.747 | S | S | * | * | trans | 76.7 | 152.8 | 161 | -100.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 158 | R | 30.4 | Very low | 33.1 | Very low | 196 Ų | 196 | 134 Ų | 134 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | cis | -158.7 | 125.3 | 20.6 | -147.5 | -174.6 | -170.5 | -140.1 | 7.2 | 115.2 | ||||
| 159 | R | 32.3 | Very low | 33.1 | Very low | 184 Ų | 184 | 136.3 Ų | 136.3 | 69% | 0.694 | 74% | 0.744 | S | S | * | * | trans | 64.2 | 161.9 | 146.6 | -75 | 170.4 | 165.6 | -126 | 5.7 | 118.9 | ||||
| 160 | Q | 32.2 | Very low | 33 | Very low | 116 Ų | 116 | 141.5 Ų | 141.5 | 54% | 0.542 | 75% | 0.749 | S | S | . | * | cis | -156.2 | 146.7 | 4.7 | -133.2 | 162.9 | -88.2 | 0 | 0 | 114.3 | ||||
| 161 | Q | 32.2 | Very low | 32.8 | Very low | 152 Ų | 152 | 145.6 Ų | 145.6 | 71% | 0.71 | 75% | 0.752 | S | S | * | * | trans | 63.3 | 139.7 | 151.6 | -78 | 153.3 | -27.2 | 0 | 0 | 121.4 | ||||
| 162 | V | 30.9 | Very low | 32.8 | Very low | 131 Ų | 131 | 148.1 Ų | 148.1 | 79% | 0.794 | 75% | 0.751 | S | S | * | * | cis | 82.8 | 137.9 | 21.9 | 179.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 163 | P | 50.2 | Low | 32.8 | Very low | 102 Ų | 102 | 149.8 Ų | 149.8 | 66% | 0.662 | 75% | 0.753 | S | S | * | * | cis | -123.4 | -157.1 | 18.3 | 44.9 | -27.9 | 0 | 0 | 0 | 113.9 | ||||
| 164 | Q | 28.2 | Very low | 32.6 | Very low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 75% | 0.745 | S | S | * | * | cis | -158.1 | 178.6 | 0 | -146.6 | 151.8 | -24 | 0 | 0 | 112.5 | ||||
| 165 | S | 29.3 | Very low | 32.8 | Very low | 100 Ų | 100 | 147 Ų | 147 | 70% | 0.699 | 75% | 0.746 | S | S | * | * | trans | -127.8 | 170.6 | 166.5 | -51 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 166 | P | 46.3 | Very low | 33 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 81% | 0.805 | 74% | 0.736 | S | S | * | * | -138.1 | 164.2 | 78.4 | 23.4 | -0.8 | 0 | 0 | 0 | 113.3 | |||||
| 167 | E | 31.6 | Very low | 32.9 | Very low | 162 Ų | 162 | 145 Ų | 145 | 76% | 0.757 | 74% | 0.739 | S | S | * | * | cis | 93.2 | 119.2 | 27.7 | -167.3 | 179.7 | 167.2 | 0 | 0 | 116.3 | ||||
| 168 | L | 29.8 | Very low | 32.7 | Very low | 159 Ų | 159 | 146 Ų | 146 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | -179.4 | 101.7 | 146.7 | -96.9 | 169.5 | 0 | 0 | 0 | 108.3 | ||||
| 169 | R | 28.7 | Very low | 32.5 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | 76.2 | 90 | 76.5 | -159.2 | 177.9 | -147.1 | -116.5 | 8.1 | 113.3 | |||||
| 170 | R | 31.5 | Very low | 32.4 | Very low | 205 Ų | 205 | 142.5 Ų | 142.5 | 77% | 0.774 | 76% | 0.763 | S | S | * | * | 86 | 120.3 | 72.9 | 176.4 | -171.5 | -179.1 | -176.5 | 2.2 | 114.7 | |||||
| 171 | K | 27.9 | Very low | 32.3 | Very low | 205 Ų | 205 | 143.6 Ų | 143.6 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | trans | -168.9 | 159.4 | 139.1 | -109.8 | 171.2 | -176.4 | -174.9 | 0 | 113.9 | ||||
| 172 | Q | 30.2 | Very low | 32.1 | Very low | 167 Ų | 167 | 141.2 Ų | 141.2 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | -101.7 | -175.4 | 172.4 | -62.5 | 146.6 | -46.6 | 0 | 0 | 107.9 | ||||
| 173 | S | 27 | Very low | 32.1 | Very low | 100 Ų | 100 | 140.8 Ų | 140.8 | 70% | 0.699 | 78% | 0.775 | S | S | * | * | cis | -168.6 | -173.1 | 25.2 | 55.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 174 | S | 27.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 142.8 Ų | 142.8 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | 74.6 | 126.6 | 146.3 | 43.2 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 175 | T | 36 | Very low | 31.2 | Very low | 131 Ų | 131 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -92.2 | -171.4 | 154.2 | 52.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 176 | P | 50.3 | Low | 31.1 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | cis | -144.8 | -169.6 | 10.1 | 45.9 | -25.5 | 0 | 0 | 0 | 118 | ||||
| 177 | N | 27.1 | Very low | 31.4 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | trans | 59.5 | 126.5 | 153 | -64.2 | -10.1 | 0 | 0 | 0 | 122.6 | ||||
| 178 | A | 27.6 | Very low | 31.3 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | -177.3 | 109.6 | 127.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 179 | T | 27.1 | Very low | 31.2 | Very low | 132 Ų | 132 | 140.8 Ų | 140.8 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 22.4 | 123.4 | 132.7 | -47.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 180 | M | 28.4 | Very low | 31.4 | Very low | 176 Ų | 176 | 139.2 Ų | 139.2 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | 27.7 | 130.3 | 141.1 | -62 | -74.1 | -170.3 | 0 | 0 | 123.4 | ||||
| 181 | T | 30.6 | Very low | 31.4 | Very low | 139 Ų | 139 | 135.2 Ų | 135.2 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | -145.5 | 151.5 | 132.6 | -32.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 182 | S | 27.8 | Very low | 31.6 | Very low | 101 Ų | 101 | 128.7 Ų | 128.7 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -80.1 | -176.5 | 165 | 46.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 183 | V | 30.6 | Very low | 31.8 | Very low | 122 Ų | 122 | 127 Ų | 127 | 74% | 0.739 | 77% | 0.774 | S | S | * | * | cis | -157.1 | 162.4 | 46.9 | 178.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 184 | L | 30.3 | Very low | 32.1 | Very low | 144 Ų | 144 | 130 Ų | 130 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | -33.1 | 139.4 | 169.4 | -54.7 | 157.5 | 0 | 0 | 0 | 116.8 | ||||
| 185 | F | 29.7 | Very low | 32.2 | Very low | 201 Ų | 201 | 136 Ų | 136 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | 178.5 | 167.7 | 101.1 | -110.8 | -90.1 | 0 | 0 | 0 | 112 | |||||
| 186 | G | 26.8 | Very low | 32.1 | Very low | 58 Ų | 58 | 136.6 Ų | 136.6 | 60% | 0.598 | 79% | 0.79 | S | S | * | * | trans | -151.4 | -168 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 187 | P | 53 | Low | 31.2 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | cis | -128 | 176.2 | -4.5 | 39.4 | -24 | 0 | 0 | 0 | 113.1 | ||||
| 188 | L | 29 | Very low | 31.3 | Very low | 171 Ų | 171 | 139.7 Ų | 139.7 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | -167 | 168 | 122.4 | -128.9 | 85.2 | 0 | 0 | 0 | 113.6 | |||||
| 189 | N | 29.2 | Very low | 31.5 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 69% | 0.69 | 80% | 0.804 | S | S | * | * | trans | -95.7 | 135.4 | -172 | 173.5 | 28.4 | 0 | 0 | 0 | 111.7 | ||||
| 190 | Q | 32.2 | Very low | 31.9 | Very low | 162 Ų | 162 | 146 Ų | 146 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | 163.5 | 146.2 | 118.6 | -86.6 | -169.2 | 53.8 | 0 | 0 | 116.4 | |||||
| 191 | S | 31.8 | Very low | 32.2 | Very low | 122 Ų | 122 | 143 Ų | 143 | 85% | 0.853 | 80% | 0.8 | S | S | * | * | trans | 75.5 | 144.6 | 155.7 | 80.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 192 | G | 31.1 | Very low | 32.3 | Very low | 67 Ų | 67 | 144.6 Ų | 144.6 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | 108.1 | 94.6 | 162.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 193 | P | 34.3 | Very low | 32.4 | Very low | 131 Ų | 131 | 145 Ų | 145 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | trans | -90.6 | 123.1 | 176.2 | 33.5 | -31.9 | 0 | 0 | 0 | 113.6 | ||||
| 194 | I | 33.3 | Very low | 32.7 | Very low | 165 Ų | 165 | 145.8 Ų | 145.8 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | -94.4 | 103.9 | 176 | -60.4 | -178.2 | 0 | 0 | 0 | 111.6 | T196 | I194-T196 PolarHBondContact O-N 2.84Š| ||
| 195 | R | 29.4 | Very low | 32.8 | Very low | 236 Ų | 236 | 150.7 Ų | 150.7 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | trans | 3.5 | 105.2 | 157.4 | -70.3 | 173.3 | 160 | 176.6 | -5.7 | 117.6 | ||||
| 196 | T | 34.5 | Very low | 33 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 87% | 0.871 | 82% | 0.816 | S | S | * | * | trans | -74.8 | 145.5 | 150.9 | 48.6 | 0 | 0 | 0 | 0 | 110.4 | I194 G198 | I194-T196 PolarHBondContact O-N 2.84Å; T196-G198 PolarHBondContact O-N 3.44Å | ||
| 197 | R | 31.2 | Very low | 33.3 | Very low | 250 Ų | 250 | 158.8 Ų | 158.8 | 94% | 0.943 | 83% | 0.829 | S | S | * | * | trans | -82.7 | 103.2 | 179.4 | -71.8 | -178.9 | 176 | 176.6 | -1.3 | 110.4 | ||||
| 198 | G | 28.5 | Very low | 32.4 | Very low | 71 Ų | 71 | 163 Ų | 163 | 73% | 0.732 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 132.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | T196 | T196-G198 PolarHBondContact O-N 3.44Š|
| 199 | C | 32.4 | Very low | 32.6 | Very low | 132 Ų | 132 | 163.1 Ų | 163.1 | 89% | 0.892 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 138.3 | 168.5 | -65.1 | 0 | 0 | 0 | 0 | 110.6 | ||
| 200 | R | 35.6 | Very low | 32.8 | Very low | 231 Ų | 231 | 164.2 Ų | 164.2 | 87% | 0.872 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -86.5 | 136.2 | -179.6 | -64.5 | -179.3 | 179.9 | -126.1 | 3.6 | 111.4 | ||
| 201 | P | 35.2 | Very low | 32.8 | Very low | 113 Ų | 113 | 165.4 Ų | 165.4 | 73% | 0.734 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 139.5 | 165.1 | 31.1 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 202 | I | 32.3 | Very low | 32.9 | Very low | 171 Ų | 171 | 166.9 Ų | 166.9 | 88% | 0.877 | 83% | 0.831 | S | S | * | * | trans | -96.8 | 97.6 | 175.4 | -60 | 178 | 0 | 0 | 0 | 108.8 | ||||
| 203 | C | 31 | Very low | 33.1 | Very low | 110 Ų | 110 | 173.5 Ų | 173.5 | 74% | 0.743 | 84% | 0.841 | S | S | * | * | trans | -77.2 | 153 | 173.5 | -63.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 204 | T | 36.6 | Very low | 33.2 | Very low | 138 Ų | 138 | 175.9 Ų | 175.9 | 85% | 0.847 | 85% | 0.845 | S | S | * | * | trans | -72.1 | 126.3 | -170.9 | 46.2 | 0 | 0 | 0 | 0 | 113.3 | K206 | T204-K206 PolarHBondContact O-N 2.89Š| ||
| 205 | R | 32.1 | Very low | 33.1 | Very low | 248 Ų | 248 | 171.1 Ų | 171.1 | 94% | 0.936 | 84% | 0.837 | S | S | * | * | trans | -91.1 | 90.2 | -177.9 | -151.2 | 174.7 | -166 | -179.6 | 3.6 | 110.9 | R207 | R205-R207 PolarHBondContact O-N 3.1Š| ||
| 206 | K | 33.2 | Very low | 33.2 | Very low | 199 Ų | 199 | 167 Ų | 167 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 118.4 | 172.6 | -75.4 | -177.2 | 175.4 | 179.1 | 0 | 110.6 | T204 | T204-K206 PolarHBondContact O-N 2.89Š|
| 207 | R | 34.2 | Very low | 33.1 | Very low | 230 Ų | 230 | 170.9 Ų | 170.9 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 125.7 | 163.5 | -98.8 | -176.8 | 166.8 | 171.2 | -4.9 | 108.7 | R205 | R205-R207 PolarHBondContact O-N 3.1Š|
| 208 | K | 32.8 | Very low | 33.7 | Very low | 204 Ų | 204 | 164.6 Ų | 164.6 | 89% | 0.887 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 136.7 | 165.7 | -67.2 | -178.3 | 177.4 | -178.4 | 0 | 108.6 | ||
| 209 | H | 33.7 | Very low | 33.9 | Very low | 175 Ų | 175 | 164.9 Ų | 164.9 | 81% | 0.81 | 83% | 0.826 | S | S | * | * | trans | -114.5 | 151.2 | 158.2 | -88.9 | -96.5 | 0 | 0 | 0 | 109.9 | ||||
| 210 | K | 33.6 | Very low | 34.7 | Very low | 151 Ų | 151 | 165.3 Ų | 165.3 | 66% | 0.657 | 83% | 0.826 | S | S | * | * | trans | -103.7 | 132.9 | -173.9 | 176.2 | -159.4 | 178.3 | -148 | 0 | 109 | E212 | K210-E212 VanDerWaalsContact CE-CD 3.41Å; K210-E212 WeakPolarHBondContact CE-OE1 3.34Å; K210-E212 IonicContact NZ-OE1 2.67Å; K210-E212 PolarHBondContact NZ-OE1 3.1Å; K210-E212 IonicContact NZ-OE2 3.25Å; K210-E212 PolarHBondContact NZ-OE2 2.67Å | ||
| 211 | M | 32.3 | Very low | 34.4 | Very low | 188 Ų | 188 | 158 Ų | 158 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | trans | -143.7 | 164.1 | 155.5 | -86 | -166.6 | 75.6 | 0 | 0 | 109.6 | ||||
| 212 | E | 33.8 | Very low | 34.3 | Very low | 153 Ų | 153 | 164.2 Ų | 164.2 | 72% | 0.715 | 83% | 0.832 | S | S | * | * | trans | -119.3 | -179 | -153.3 | -74 | 170 | 124.5 | 0 | 0 | 114.6 | K210 | K210-E212 VanDerWaalsContact CE-CD 3.41Å; K210-E212 WeakPolarHBondContact CE-OE1 3.34Å; K210-E212 IonicContact NZ-OE1 2.67Å; K210-E212 PolarHBondContact NZ-OE1 3.1Å; K210-E212 IonicContact NZ-OE2 3.25Å; K210-E212 PolarHBondContact NZ-OE2 2.67Å | ||
| 213 | K | 35.9 | Very low | 34.3 | Very low | 206 Ų | 206 | 168.2 Ų | 168.2 | 90% | 0.896 | 84% | 0.836 | S | S | * | * | trans | -67 | 135.9 | -167.8 | -79.7 | 176.7 | 169.8 | 176.9 | 0 | 115.2 | ||||
| 214 | L | 35.5 | Very low | 34.3 | Very low | 181 Ų | 181 | 174.2 Ų | 174.2 | 95% | 0.948 | 84% | 0.843 | S | S | * | * | trans | -159.5 | 161.8 | 136.5 | -99.7 | 163.5 | 0 | 0 | 0 | 107.2 | ||||
| 215 | G | 31.3 | Very low | 33.9 | Very low | 64 Ų | 64 | 173.2 Ų | 173.2 | 66% | 0.66 | 84% | 0.841 | S | S | * | * | cis | -170.6 | -167.1 | -0.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 216 | N | 31.4 | Very low | 33.9 | Very low | 149 Ų | 149 | 171.8 Ų | 171.8 | 80% | 0.797 | 84% | 0.835 | S | S | * | * | trans | -98.2 | 161.7 | 172 | -87.2 | -33.5 | 0 | 0 | 0 | 109 | ||||
| 217 | R | 33.4 | Very low | 33.8 | Very low | 225 Ų | 225 | 168.8 Ų | 168.8 | 85% | 0.849 | 83% | 0.834 | S | S | * | * | cis | -158.5 | -160.8 | 5.1 | -124.9 | -178.3 | -170.6 | -150.3 | 2.6 | 111 | ||||
| 218 | P | 43.8 | Very low | 33.6 | Very low | 118 Ų | 118 | 161.7 Ų | 161.7 | 77% | 0.766 | 83% | 0.832 | S | S | * | * | trans | -127.6 | 153.8 | -136.4 | 43.2 | -26.4 | 0 | 0 | 0 | 120.6 | ||||
| 219 | G | 32.3 | Very low | 33.4 | Very low | 77 Ų | 77 | 155.8 Ų | 155.8 | 79% | 0.794 | 83% | 0.829 | S | S | * | * | trans | 66 | -173 | 150 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 220 | P | 48 | Very low | 33.4 | Very low | 140 Ų | 140 | 157.4 Ų | 157.4 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | cis | -126.8 | 177.9 | -13.3 | 41.5 | -27.5 | 0 | 0 | 0 | 113.8 | ||||
| 221 | G | 30.3 | Very low | 33.4 | Very low | 79 Ų | 79 | 157 Ų | 157 | 81% | 0.814 | 83% | 0.829 | S | S | * | * | trans | -174.7 | 128 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 222 | R | 33.5 | Very low | 33.3 | Very low | 243 Ų | 243 | 154.6 Ų | 154.6 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -113.2 | 152.2 | -180 | -66.6 | 179.2 | 173.4 | -170.1 | -0.6 | 111.8 | ||||
| 223 | R | 31.8 | Very low | 33.2 | Very low | 255 Ų | 255 | 150.2 Ų | 150.2 | 96% | 0.962 | 82% | 0.82 | S | S | * | * | -170.5 | 151.4 | 118.6 | -100.2 | 159.2 | -163.9 | -131.4 | 2.7 | 112.5 | |||||
| 224 | R | 30.9 | Very low | 33.1 | Very low | 235 Ų | 235 | 147.2 Ų | 147.2 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -160.2 | 124.9 | -179.5 | 178.9 | -167.2 | -172.9 | -161.9 | 6.2 | 110 | ||||
| 225 | C | 27.7 | Very low | 32.9 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | trans | -138.9 | 145.7 | 159.8 | -74.2 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 226 | R | 32.2 | Very low | 33.1 | Very low | 219 Ų | 219 | 145.9 Ų | 145.9 | 83% | 0.826 | 82% | 0.822 | S | S | * | * | cis | 72.2 | 135.1 | 41.3 | -71.6 | -162.1 | 160.9 | -173.6 | -4.7 | 112.3 | ||||
| 227 | T | 32 | Very low | 34.4 | Very low | 136 Ų | 136 | 144.5 Ų | 144.5 | 83% | 0.834 | 82% | 0.82 | S | S | * | * | cis | -164.9 | 169.2 | 5 | 3.9 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 228 | G | 28.8 | Very low | 34.2 | Very low | 81 Ų | 81 | 141.4 Ų | 141.4 | 84% | 0.835 | 82% | 0.821 | S | S | * | * | trans | 109.2 | 146.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 229 | G | 29.9 | Very low | 34.1 | Very low | 79 Ų | 79 | 143.4 Ų | 143.4 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | cis | 131.2 | 146.5 | 8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 230 | R | 33.2 | Very low | 34.3 | Very low | 209 Ų | 209 | 146.6 Ų | 146.6 | 79% | 0.789 | 83% | 0.828 | S | S | * | * | cis | -172.6 | 125.6 | 3.1 | 165.7 | -168.1 | 168.3 | -174.9 | -2.3 | 110.1 | ||||
| 231 | Q | 34.4 | Very low | 34.1 | Very low | 144 Ų | 144 | 148 Ų | 148 | 67% | 0.673 | 83% | 0.827 | S | S | * | * | trans | 62.9 | 165 | 157.2 | -64.2 | 167.2 | -10.4 | 0 | 0 | 116.5 | ||||
| 232 | T | 29.9 | Very low | 34.3 | Very low | 136 Ų | 136 | 148.9 Ų | 148.9 | 83% | 0.834 | 83% | 0.826 | S | S | * | * | cis | -159.4 | 163.2 | -4.5 | 1.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 233 | G | 30.8 | Very low | 34.8 | Very low | 61 Ų | 61 | 146.7 Ų | 146.7 | 63% | 0.629 | 83% | 0.827 | S | S | * | * | trans | 94.7 | 156.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 234 | T | 33.8 | Very low | 35 | Very low | 143 Ų | 143 | 140.5 Ų | 140.5 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | cis | 172.9 | 151.4 | -25.7 | 14.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 235 | A | 30.5 | Very low | 35.4 | Very low | 102 Ų | 102 | 134.3 Ų | 134.3 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | 76.2 | 143.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 236 | S | 36.5 | Very low | 36.2 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 81% | 0.811 | 81% | 0.812 | S | S | * | * | trans | -143.2 | 169.1 | 165.1 | -58.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 237 | P | 58 | Low | 36.7 | Very low | 119 Ų | 119 | 129.1 Ų | 129.1 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | cis | -124.2 | 177.2 | 2.7 | 42 | -29.1 | 0 | 0 | 0 | 113.5 | ||||
| 238 | D | 29 | Very low | 37.2 | Very low | 160 Ų | 160 | 128.5 Ų | 128.5 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -162.7 | 170.1 | 132.1 | -131.3 | -34.5 | 0 | 0 | 0 | 113.4 | ||||
| 239 | L | 42 | Very low | 37.9 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | trans | -102.6 | 114.7 | -171.5 | -71.9 | 165.2 | 0 | 0 | 0 | 114.3 | ||||
| 240 | V | 37.3 | Very low | 38.4 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -142.2 | 147 | 159.7 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 241 | L | 43.9 | Very low | 39 | Very low | 171 Ų | 171 | 128 Ų | 128 | 90% | 0.895 | 80% | 0.798 | S | S | * | * | trans | -65.1 | 134.9 | 179.1 | -73.1 | 72.5 | 0 | 0 | 0 | 112.7 | ||||
| 242 | A | 34.4 | Very low | 39.9 | Very low | 96 Ų | 96 | 126.6 Ų | 126.6 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -143.7 | 133.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 243 | Q | 44.4 | Very low | 41 | Very low | 198 Ų | 198 | 125.3 Ų | 125.3 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | trans | -83.5 | 133 | -178.9 | -62.3 | 173.5 | 9.9 | 0 | 0 | 110.6 | ||||
| 244 | S | 35.2 | Very low | 42.4 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | trans | -139.9 | 96 | 167.4 | 52.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 245 | S | 39.2 | Very low | 44.3 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -121 | 158.9 | 165.5 | 66.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 246 | P | 45.3 | Very low | 46.6 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | trans | -66 | 153.4 | -160.3 | 25.3 | -34.3 | 0 | 0 | 0 | 113.1 | ||||
| 247 | P | 42.6 | Very low | 48.9 | Very low | 114 Ų | 114 | 122.5 Ų | 122.5 | 74% | 0.74 | 74% | 0.739 | S | S | * | * | trans | -56.4 | 135 | -177.9 | 24 | -34.6 | 0 | 0 | 0 | 110.5 | V249 | P247-V249 PolarHBondContact O-N 3.37Š| ||
| 248 | P | 42.1 | Very low | 50.2 | Low | 124 Ų | 124 | 117.6 Ų | 117.6 | 81% | 0.805 | 71% | 0.706 | S | S | * | * | trans | -63.8 | 113.3 | -177.7 | 25.6 | -33.5 | 0 | 0 | 0 | 109.4 | S250 | P248-S250 PolarHBondContact O-N 3.25Š| ||
| 249 | V | 43.5 | Very low | 53 | Low | 127 Ų | 127 | 114.6 Ų | 114.6 | 77% | 0.77 | 69% | 0.687 | S | S | * | * | trans | -55.5 | 123.3 | 164.2 | -75.5 | 0 | 0 | 0 | 0 | 107.5 | P247 V251 | P247-V249 PolarHBondContact O-N 3.37Å; V249-V251 HydrophobicContact CG2-CG2 4.38Å; V249-V251 PolarHBondContact O-N 3Å | ||
| 250 | S | 39.8 | Very low | 55.3 | Low | 109 Ų | 109 | 109.5 Ų | 109.5 | 76% | 0.762 | 66% | 0.661 | S | S | * | * | trans | -76.3 | 65.3 | -171.7 | 48.1 | 0 | 0 | 0 | 0 | 112 | P248 V252 | P248-S250 PolarHBondContact O-N 3.25Å; S250-V252 PolarHBondContact O-N 3.06Å | ||
| 251 | V | 45.7 | Very low | 57.9 | Low | 121 Ų | 121 | 102.9 Ų | 102.9 | 73% | 0.733 | 62% | 0.62 | S | S | * | * | trans | -68.7 | 73.4 | 158.1 | -172.6 | 0 | 0 | 0 | 0 | 106.7 | V249 P253 | V249-V251 HydrophobicContact CG2-CG2 4.38Å; V249-V251 PolarHBondContact O-N 3Å; V251-P253 WeakPolarHBondContact O-CD 3.38Å; V251-P253 VanDerWaalsContact O-N 3.09Å | ||
| 252 | V | 54.1 | Low | 60 | Low | 115 Ų | 115 | 95.6 Ų | 95.6 | 70% | 0.697 | 58% | 0.581 | S | S | * | * | trans | -56.8 | 113.9 | 172.2 | 177.8 | 0 | 0 | 0 | 0 | 106.2 | S250 L254 | S250-V252 PolarHBondContact O-N 3.06Å; V252-L254 PolarHBondContact O-N 2.79Å; V252-L254 VanDerWaalsContact O-N 3.16Å | ||
| 253 | P | 54 | Low | 62.7 | Low | 109 Ų | 109 | 94.6 Ų | 94.6 | 71% | 0.708 | 57% | 0.565 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 122.6 | 173.7 | -16.4 | 31.6 | 0 | 0 | 0 | 106.7 | V251 E255 | V251-P253 WeakPolarHBondContact O-CD 3.38Å; V251-P253 VanDerWaalsContact O-N 3.09Å; P253-E255 PolarHBondContact O-N 3.22Å |
| 254 | L | 60.1 | Low | 65 | Low | 63 Ų | 63 | 87.3 Ų | 87.3 | 33% | 0.33 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 131.4 | 163.2 | -73.9 | 130.2 | 0 | 0 | 0 | 107 | V252 A256 H259 M262 F289 | V252-L254 PolarHBondContact O-N 2.79Å; V252-L254 VanDerWaalsContact O-N 3.16Å; L254-A256 PolarHBondContact O-N 3.44Å; L254-H259 HydrophobicContact CB-CB 4.19Å; L254-M262 HydrophobicContact CD2-CE 4.45Å; L254-M262 HydrophobicContact CD2-SD 4.43Å; L254-F289 HydrophobicContact CD1-CD1 3.86Å; L254-F289 HydrophobicContact CD1-CE1 3.48Å; L254-F289 VanDerWaalsContact CD1-CE1 3.48Å; L254-F289 HydrophobicContact CD1-CZ 3.98Å; L254-F289 HydrophobicContact CD2-CD1 3.88Å; L254-F289 HydrophobicContact CD2-CE1 4.18Å; L254-F289 HydrophobicContact CG-CE1 4.5Å |
| 255 | E | 72.1 | Confident | 67.6 | Low | 128 Ų | 128 | 81.4 Ų | 81.4 | 60% | 0.598 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 133.8 | 174.7 | -65.6 | 178.2 | 149.9 | 0 | 0 | 108.1 | P253 Q257 E258 H259 | P253-E255 PolarHBondContact O-N 3.22Å; E255-Q257 PolarHBondContact O-N 3.44Å; E255-E258 HydrophobicContact CB-CB 4.47Å; E255-E258 HydrophobicContact CB-CG 4.16Å; E255-E258 WeakPolarHBondContact O-CA 3.01Å; E255-E258 WeakPolarHBondContact O-CB 3.41Å; E255-E258 PolarHBondContact O-N 3.48Å; E255-H259 PolarHBondContact O-N 3.06Å |
| 256 | A | 80.6 | Confident | 70.1 | Confident | 81 Ų | 81 | 78.3 Ų | 78.3 | 67% | 0.669 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -57.6 | -30.9 | -166.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L254 D260 | L254-A256 PolarHBondContact O-N 3.44Å; A256-D260 VanDerWaalsContact O-CB 3.26Å; A256-D260 WeakPolarHBondContact O-CB 3.44Å; A256-D260 PolarHBondContact O-N 3.38Å |
| 257 | Q | 83.1 | Confident | 72.3 | Confident | 91 Ų | 91 | 76.5 Ų | 76.5 | 43% | 0.425 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -69.7 | -39.3 | 173.3 | -71.4 | 152 | -76.9 | 0 | 0 | 113.1 | E255 W261 D280 L283 | E255-Q257 PolarHBondContact O-N 3.44Å; Q257-W261 WeakPolarHBondContact O-CB 3.49Å; Q257-W261 PolarHBondContact O-N 3.35Å; Q257-D280 PolarHBondContact NE2-OD1 3.4Å; Q257-D280 PolarHBondContact NE2-OD2 2.96Å; Q257-L283 HydrophobicContact CB-CD1 4.45Å |
| 258 | E | 86.3 | Confident | 74.5 | Confident | 17 Ų | 17 | 72 Ų | 72 | 8% | 0.079 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -64 | -43.4 | 173.3 | -68 | -161 | 144.6 | 0 | 0 | 111.7 | E255 M262 L283 R286 | E255-E258 HydrophobicContact CB-CB 4.47Å; E255-E258 HydrophobicContact CB-CG 4.16Å; E255-E258 WeakPolarHBondContact O-CA 3.01Å; E255-E258 WeakPolarHBondContact O-CB 3.41Å; E255-E258 PolarHBondContact O-N 3.48Å; E258-M262 VanDerWaalsContact O-CG 3.27Å; E258-M262 WeakPolarHBondContact O-CG 3.36Å; E258-M262 PolarHBondContact O-N 3.21Å; E258-L283 HydrophobicContact CG-CD2 3.74Å; E258-R286 WeakPolarHBondContact OE1-CD 3.31Å; E258-R286 WeakPolarHBondContact OE1-CG 3.42Å; E258-R286 IonicContact OE1-CZ 3.21Å; E258-R286 IonicContact OE1-NE 2.92Å; E258-R286 PolarHBondContact OE1-NE 3.48Å; E258-R286 IonicContact OE1-NH2 3.27Å; E258-R286 PolarHBondContact OE1-NH2 3.34Å; E258-R286 IonicContact OE2-CZ 3.25Å; E258-R286 VanDerWaalsContact OE2-CZ 3.25Å; E258-R286 IonicContact OE2-NE 2.67Å; E258-R286 PolarHBondContact OE2-NE 2.71Å; E258-R286 IonicContact OE2-NH2 2.74Å; E258-R286 PolarHBondContact OE2-NH2 3.48Å |
| 259 | H | 88.3 | Confident | 77 | Confident | 97 Ų | 97 | 67.2 Ų | 67.2 | 45% | 0.449 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.6 | -50 | 177.6 | 174.7 | -91.9 | 0 | 0 | 0 | 111.8 | L254 E255 W261 M262 V263 | L254-H259 HydrophobicContact CB-CB 4.19Å; E255-H259 PolarHBondContact O-N 3.06Å; H259-W261 VanDerWaalsContact C-N 3.32Å; H259-W261 PolarHBondContact O-N 3.44Å; H259-M262 PolarHBondContact O-N 3.32Å; H259-V263 WeakPolarHBondContact O-CG2 3.32Å; H259-V263 PolarHBondContact O-N 3Å |
| 260 | D | 90.3 | Very high | 79.2 | Confident | 54 Ų | 54 | 62.2 Ų | 62.2 | 29% | 0.289 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 178.5 | -175.8 | 44.5 | 0 | 0 | 0 | 111.8 | A256 V263 K264 | A256-D260 VanDerWaalsContact O-CB 3.26Å; A256-D260 WeakPolarHBondContact O-CB 3.44Å; A256-D260 PolarHBondContact O-N 3.38Å; D260-V263 PolarHBondContact O-N 3.4Å; D260-K264 WeakPolarHBondContact O-CB 3.37Å; D260-K264 WeakPolarHBondContact O-CD 3.44Å; D260-K264 WeakPolarHBondContact O-CG 3.46Å; D260-K264 PolarHBondContact O-N 3.46Å; D260-K264 WeakPolarHBondContact OD1-CD 3.44Å; D260-K264 WeakPolarHBondContact OD1-CE 3.32Å; D260-K264 IonicContact OD1-NZ 3.87Å; D260-K264 PolarHBondContact OD1-NZ 3.16Å; D260-K264 IonicContact OD2-NZ 2.61Å; D260-K264 PolarHBondContact OD2-NZ 2.91Å |
| 261 | W | 90.5 | Very high | 81.7 | Confident | 4 Ų | 4 | 61.6 Ų | 61.6 | 2% | 0.015 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -57.8 | -49.3 | 172.1 | 172.8 | -102.3 | 0 | 0 | 0 | 113.1 | Q257 H259 K264 A265 I273 L276 F277 L283 L284 V295 | Q257-W261 WeakPolarHBondContact O-CB 3.49Å; Q257-W261 PolarHBondContact O-N 3.35Å; H259-W261 VanDerWaalsContact C-N 3.32Å; H259-W261 PolarHBondContact O-N 3.44Å; W261-K264 PolarHBondContact O-N 2.94Å; W261-A265 WeakPolarHBondContact O-CB 3.41Å; W261-A265 PolarHBondContact O-N 3.33Å; W261-I273 HydrophobicContact CE3-CG1 4.1Å; W261-I273 HydrophobicContact CH2-CG2 3.99Å; W261-I273 HydrophobicContact CZ3-CB 4.22Å; W261-I273 HydrophobicContact CZ3-CG1 4.11Å; W261-I273 HydrophobicContact CZ3-CG2 3.8Å; W261-L276 HydrophobicContact CB-CD1 4.12Å; W261-L276 HydrophobicContact CE3-CB 3.87Å; W261-L276 HydrophobicContact CE3-CD1 4.17Å; W261-L276 HydrophobicContact CZ3-CB 4.25Å; W261-F277 HydrophobicContact CH2-CB 4.16Å; W261-F277 HydrophobicContact CZ3-CB 3.93Å; W261-L283 HydrophobicContact CB-CD1 3.97Å; W261-L283 HydrophobicContact CD2-CB 3.73Å; W261-L283 HydrophobicContact CD2-CD1 4.12Å; W261-L283 HydrophobicContact CE3-CB 4.21Å; W261-L283 HydrophobicContact CE3-CD1 4.13Å; W261-L283 HydrophobicContact CG-CB 3.91Å; W261-L283 HydrophobicContact CG-CD1 4.09Å; W261-L283 HydrophobicContact CZ2-CB 4.19Å; W261-L283 PolarHBondContact NE1-O 3.14Å; W261-L284 HydrophobicContact CH2-CD2 4.06Å; W261-L284 HydrophobicContact CZ2-CD2 4.16Å; W261-V295 HydrophobicContact CH2-CG1 4.42Å; W261-V295 HydrophobicContact CZ2-CB 3.79Å; W261-V295 HydrophobicContact CZ2-CG1 3.71Å; W261-V295 HydrophobicContact CZ2-CG2 4.08Å |
| 262 | M | 89.3 | Confident | 83.9 | Confident | 17 Ų | 17 | 59.4 Ų | 59.4 | 8% | 0.084 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 178.5 | -71.7 | 177.1 | -169.7 | 0 | 0 | 112.2 | L254 E258 H259 A265 A266 R286 K287 D288 F289 | L254-M262 HydrophobicContact CD2-CE 4.45Å; L254-M262 HydrophobicContact CD2-SD 4.43Å; E258-M262 VanDerWaalsContact O-CG 3.27Å; E258-M262 WeakPolarHBondContact O-CG 3.36Å; E258-M262 PolarHBondContact O-N 3.21Å; H259-M262 PolarHBondContact O-N 3.32Å; M262-A265 PolarHBondContact O-N 2.92Å; M262-A266 WeakPolarHBondContact O-CB 3.08Å; M262-A266 PolarHBondContact O-N 3.46Å; M262-R286 HydrophobicContact CE-CG 3.71Å; M262-K287 VanDerWaalsContact CE-O 3.3Å; M262-K287 WeakPolarHBondContact CE-O 3.25Å; M262-D288 HydrophobicContact SD-CB 4.36Å; M262-F289 HydrophobicContact SD-CD1 4.18Å; M262-F289 HydrophobicContact SD-CE1 4.43Å |
| 263 | V | 90.4 | Very high | 85.7 | Confident | 75 Ų | 75 | 54 Ų | 54 | 46% | 0.455 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.9 | -44 | 178.4 | 170.8 | 0 | 0 | 0 | 0 | 110.9 | H259 D260 A266 A267 | H259-V263 WeakPolarHBondContact O-CG2 3.32Å; H259-V263 PolarHBondContact O-N 3Å; D260-V263 PolarHBondContact O-N 3.4Å; V263-A266 PolarHBondContact O-N 2.93Å; V263-A267 WeakPolarHBondContact O-CB 3.37Å; V263-A267 PolarHBondContact O-N 3.44Å |
| 264 | K | 91.9 | Very high | 87.4 | Confident | 45 Ų | 45 | 50.7 Ų | 50.7 | 20% | 0.196 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.3 | -35.6 | 176.3 | -77.1 | 161.9 | 169.4 | 166.3 | 0 | 112.7 | D260 W261 A267 G268 A269 D272 I273 L276 | D260-K264 WeakPolarHBondContact O-CB 3.37Å; D260-K264 WeakPolarHBondContact O-CD 3.44Å; D260-K264 WeakPolarHBondContact O-CG 3.46Å; D260-K264 PolarHBondContact O-N 3.46Å; D260-K264 WeakPolarHBondContact OD1-CD 3.44Å; D260-K264 WeakPolarHBondContact OD1-CE 3.32Å; D260-K264 IonicContact OD1-NZ 3.87Å; D260-K264 PolarHBondContact OD1-NZ 3.16Å; D260-K264 IonicContact OD2-NZ 2.61Å; D260-K264 PolarHBondContact OD2-NZ 2.91Å; W261-K264 PolarHBondContact O-N 2.94Å; K264-A267 PolarHBondContact O-N 2.94Å; K264-G268 PolarHBondContact O-N 3.42Å; K264-A269 HydrophobicContact CB-CB 4.04Å; K264-A269 HydrophobicContact CG-CB 4.06Å; K264-A269 PolarHBondContact O-N 3.35Å; K264-D272 HydrophobicContact CD-CB 3.61Å; K264-D272 HydrophobicContact CG-CB 4.2Å; K264-I273 HydrophobicContact CB-CG1 4.24Å; K264-L276 HydrophobicContact CD-CD1 3.78Å |
| 265 | A | 91.6 | Very high | 88.9 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | W261 M262 A267 G268 I273 V295 W298 H302 | W261-A265 WeakPolarHBondContact O-CB 3.41Å; W261-A265 PolarHBondContact O-N 3.33Å; M262-A265 PolarHBondContact O-N 2.92Å; A265-A267 VanDerWaalsContact C-N 3.3Å; A265-A267 PolarHBondContact O-N 2.9Å; A265-G268 PolarHBondContact O-N 2.96Å; A265-I273 VanDerWaalsContact CA-CD1 3.5Å; A265-I273 HydrophobicContact CB-CD1 3.84Å; A265-V295 HydrophobicContact CB-CG2 4.13Å; A265-W298 HydrophobicContact CB-CB 4.06Å; A265-W298 HydrophobicContact CB-CG 3.83Å; A265-H302 PolarHBondContact O-NE2 2.91Å |
| 266 | A | 90.4 | Very high | 89.7 | Confident | 40 Ų | 40 | 45 Ų | 45 | 33% | 0.331 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.6 | -40.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | M262 V263 W298 H302 | M262-A266 WeakPolarHBondContact O-CB 3.08Å; M262-A266 PolarHBondContact O-N 3.46Å; V263-A266 PolarHBondContact O-N 2.93Å; A266-W298 HydrophobicContact CB-CD2 4.4Å; A266-W298 HydrophobicContact CB-CE3 4.15Å; A266-W298 HydrophobicContact CB-CH2 3.85Å; A266-W298 HydrophobicContact CB-CZ2 4.13Å; A266-W298 HydrophobicContact CB-CZ3 3.85Å; A266-H302 PolarHBondContact O-CE1 3.06Å; A266-H302 PolarHBondContact O-NE2 2.94Å; A266-H302 VanDerWaalsContact O-NE2 3.16Å |
| 267 | A | 91.3 | Very high | 90.1 | Very high | 75 Ų | 75 | 41.5 Ų | 41.5 | 62% | 0.62 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -73.4 | -21.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | V263 K264 A265 | V263-A267 WeakPolarHBondContact O-CB 3.37Å; V263-A267 PolarHBondContact O-N 3.44Å; K264-A267 PolarHBondContact O-N 2.94Å; A265-A267 VanDerWaalsContact C-N 3.3Å; A265-A267 PolarHBondContact O-N 2.9Å |
| 268 | G | 90.1 | Very high | 90.2 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 19% | 0.186 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | 24.3 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K264 A265 W270 H302 | K264-G268 PolarHBondContact O-N 3.42Å; A265-G268 PolarHBondContact O-N 2.96Å; G268-W270 VanDerWaalsContact O-CD1 3.22Å; G268-W270 PolarHBondContact O-N 3.23Å; G268-W270 PolarHBondContact O-NE1 2.92Å; G268-H302 PolarHBondContact N-NE2 2.94Å |
| 269 | A | 93.4 | Very high | 90.4 | Very high | 25 Ų | 25 | 49.8 Ų | 49.8 | 21% | 0.207 | 28% | 0.284 | C | S | . | . | trans | -78.4 | 62.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K264 P271 D272 I273 | K264-A269 HydrophobicContact CB-CB 4.04Å; K264-A269 HydrophobicContact CG-CB 4.06Å; K264-A269 PolarHBondContact O-N 3.35Å; A269-P271 VanDerWaalsContact C-CD 3.46Å; A269-D272 HydrophobicContact CB-CB 4.42Å; A269-D272 PolarHBondContact O-N 2.98Å; A269-D272 VanDerWaalsContact O-N 3.1Å; A269-I273 PolarHBondContact O-N 2.81Å; A269-I273 VanDerWaalsContact O-N 3.1Å | ||
| 270 | W | 91.1 | Very high | 90.2 | Very high | 21 Ų | 21 | 46.7 Ų | 46.7 | 8% | 0.08 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -55.8 | -39.7 | -173.6 | -48.9 | 123.7 | 0 | 0 | 0 | 115.4 | G268 D272 I273 Y274 V295 W298 I299 H302 D304 V307 | G268-W270 VanDerWaalsContact O-CD1 3.22Å; G268-W270 PolarHBondContact O-N 3.23Å; G268-W270 PolarHBondContact O-NE1 2.92Å; W270-D272 VanDerWaalsContact C-N 3.29Å; W270-D272 PolarHBondContact O-N 2.85Å; W270-I273 HydrophobicContact CE3-CD1 3.66Å; W270-I273 HydrophobicContact CZ3-CD1 3.72Å; W270-I273 WeakPolarHBondContact O-CB 3.48Å; W270-I273 PolarHBondContact O-N 3.02Å; W270-Y274 HydrophobicContact CB-CE2 4.17Å; W270-Y274 WeakPolarHBondContact O-CD2 3.26Å; W270-Y274 PolarHBondContact O-N 2.95Å; W270-V295 HydrophobicContact CZ3-CG2 4.32Å; W270-W298 HydrophobicContact CH2-CB 4.35Å; W270-I299 HydrophobicContact CE3-CG1 4.27Å; W270-I299 HydrophobicContact CH2-CB 4.15Å; W270-I299 HydrophobicContact CH2-CG1 3.44Å; W270-I299 VanDerWaalsContact CH2-CG1 3.44Å; W270-I299 HydrophobicContact CZ2-CG1 4.17Å; W270-I299 HydrophobicContact CZ3-CD1 4.39Å; W270-I299 HydrophobicContact CZ3-CG1 3.5Å; W270-I299 VanDerWaalsContact CZ3-CG1 3.5Å; W270-H302 AromaticContact CH2-CD2 3.71Å; W270-H302 HydrophobicContact CZ2-CB 3.9Å; W270-H302 AromaticContact CZ2-CD2 3.41Å; W270-H302 VanDerWaalsContact CZ2-CD2 3.41Å; W270-H302 WeakPolarHBondContact CZ2-CD2 3.42Å; W270-H302 AromaticContact CZ2-CG 3.92Å; W270-D304 PolarHBondContact NE1-OD2 2.6Å; W270-V307 HydrophobicContact CB-CG1 4.18Å; W270-V307 HydrophobicContact CB-CG2 3.91Å; W270-V307 HydrophobicContact CD2-CB 4.3Å; W270-V307 HydrophobicContact CD2-CG1 3.53Å; W270-V307 HydrophobicContact CD2-CG2 3.9Å; W270-V307 HydrophobicContact CE3-CG1 3.6Å; W270-V307 HydrophobicContact CG-CB 4.28Å; W270-V307 HydrophobicContact CG-CG1 3.81Å; W270-V307 HydrophobicContact CG-CG2 3.44Å; W270-V307 VanDerWaalsContact CG-CG2 3.44Å; W270-V307 HydrophobicContact CZ3-CG1 4.21Å |
| 271 | P | 91.3 | Very high | 89.9 | Confident | 96 Ų | 96 | 45.4 Ų | 45.4 | 62% | 0.623 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -57.9 | -40.6 | 175.1 | -25.3 | 36.3 | 0 | 0 | 0 | 113 | A269 Y274 A275 | A269-P271 VanDerWaalsContact C-CD 3.46Å; P271-Y274 PolarHBondContact O-N 2.99Å; P271-A275 PolarHBondContact O-N 2.75Å |
| 272 | D | 91.8 | Very high | 89.6 | Confident | 75 Ų | 75 | 49.6 Ų | 49.6 | 40% | 0.401 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -73.8 | -34 | -179.9 | -59.4 | -20 | 0 | 0 | 0 | 111.3 | K264 A269 W270 Y274 A275 L276 | K264-D272 HydrophobicContact CD-CB 3.61Å; K264-D272 HydrophobicContact CG-CB 4.2Å; A269-D272 HydrophobicContact CB-CB 4.42Å; A269-D272 PolarHBondContact O-N 2.98Å; A269-D272 VanDerWaalsContact O-N 3.1Å; W270-D272 VanDerWaalsContact C-N 3.29Å; W270-D272 PolarHBondContact O-N 2.85Å; D272-Y274 VanDerWaalsContact C-N 3.29Å; D272-Y274 PolarHBondContact O-N 3.37Å; D272-A275 WeakPolarHBondContact O-CB 3.45Å; D272-A275 PolarHBondContact O-N 3.33Å; D272-A275 VanDerWaalsContact O-N 3.1Å; D272-L276 WeakPolarHBondContact O-CG 3.28Å; D272-L276 PolarHBondContact O-N 3.44Å |
| 273 | I | 91.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.9 | -40.8 | 168 | -87.6 | 166.8 | 0 | 0 | 0 | 111.3 | W261 K264 A265 A269 W270 A275 L276 F277 V295 | W261-I273 HydrophobicContact CE3-CG1 4.1Å; W261-I273 HydrophobicContact CH2-CG2 3.99Å; W261-I273 HydrophobicContact CZ3-CB 4.22Å; W261-I273 HydrophobicContact CZ3-CG1 4.11Å; W261-I273 HydrophobicContact CZ3-CG2 3.8Å; K264-I273 HydrophobicContact CB-CG1 4.24Å; A265-I273 VanDerWaalsContact CA-CD1 3.5Å; A265-I273 HydrophobicContact CB-CD1 3.84Å; A269-I273 PolarHBondContact O-N 2.81Å; A269-I273 VanDerWaalsContact O-N 3.1Å; W270-I273 HydrophobicContact CE3-CD1 3.66Å; W270-I273 HydrophobicContact CZ3-CD1 3.72Å; W270-I273 WeakPolarHBondContact O-CB 3.48Å; W270-I273 PolarHBondContact O-N 3.02Å; I273-A275 VanDerWaalsContact C-N 3.29Å; I273-A275 PolarHBondContact O-N 2.73Å; I273-L276 PolarHBondContact O-N 3.46Å; I273-F277 WeakPolarHBondContact O-CB 3.45Å; I273-F277 PolarHBondContact O-N 3.1Å; I273-V295 HydrophobicContact CD1-CG2 3.89Å |
| 274 | Y | 90 | Very high | 89 | Confident | 40 Ų | 40 | 45.5 Ų | 45.5 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.7 | -22.9 | 174.6 | -60.9 | -52.9 | 0 | 0 | 0 | 113.4 | W270 P271 D272 R278 V307 T310 L311 | W270-Y274 HydrophobicContact CB-CE2 4.17Å; W270-Y274 WeakPolarHBondContact O-CD2 3.26Å; W270-Y274 PolarHBondContact O-N 2.95Å; P271-Y274 PolarHBondContact O-N 2.99Å; D272-Y274 VanDerWaalsContact C-N 3.29Å; D272-Y274 PolarHBondContact O-N 3.37Å; Y274-R278 VanDerWaalsContact C-NH1 3.35Å; Y274-R278 VanDerWaalsContact O-CG 3.31Å; Y274-R278 WeakPolarHBondContact O-CG 3.5Å; Y274-R278 PolarHBondContact O-N 3.4Å; Y274-R278 PolarHBondContact O-NH1 3.15Å; Y274-V307 VanDerWaalsContact OH-CA 3.22Å; Y274-V307 WeakPolarHBondContact OH-CA 3.31Å; Y274-V307 VanDerWaalsContact OH-CG1 3.28Å; Y274-V307 WeakPolarHBondContact OH-CG1 3.05Å; Y274-V307 PolarHBondContact OH-O 2.9Å; Y274-T310 PolarHBondContact OH-OG1 3.4Å; Y274-L311 HydrophobicContact CD1-CD1 4.18Å; Y274-L311 HydrophobicContact CE1-CB 3.85Å; Y274-L311 HydrophobicContact CE1-CD1 3.83Å; Y274-L311 HydrophobicContact CE1-CG 4.44Å |
| 275 | A | 90.9 | Very high | 88.5 | Confident | 51 Ų | 51 | 47.3 Ų | 47.3 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -71.7 | -53 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | P271 D272 I273 F277 R278 T279 | P271-A275 PolarHBondContact O-N 2.75Å; D272-A275 WeakPolarHBondContact O-CB 3.45Å; D272-A275 PolarHBondContact O-N 3.33Å; D272-A275 VanDerWaalsContact O-N 3.1Å; I273-A275 VanDerWaalsContact C-N 3.29Å; I273-A275 PolarHBondContact O-N 2.73Å; A275-F277 PolarHBondContact O-N 3.4Å; A275-R278 WeakPolarHBondContact O-CB 3.4Å; A275-R278 PolarHBondContact O-N 3.46Å; A275-R278 VanDerWaalsContact O-N 3.15Å; A275-T279 PolarHBondContact O-N 2.82Å; A275-T279 PolarHBondContact O-OG1 3.12Å |
| 276 | L | 89.6 | Confident | 88.2 | Confident | 20 Ų | 20 | 53.1 Ų | 53.1 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58 | -46.9 | 177.6 | -70 | 175.2 | 0 | 0 | 0 | 112.2 | W261 K264 D272 I273 R278 T279 D280 | W261-L276 HydrophobicContact CB-CD1 4.12Å; W261-L276 HydrophobicContact CE3-CB 3.87Å; W261-L276 HydrophobicContact CE3-CD1 4.17Å; W261-L276 HydrophobicContact CZ3-CB 4.25Å; K264-L276 HydrophobicContact CD-CD1 3.78Å; D272-L276 WeakPolarHBondContact O-CG 3.28Å; D272-L276 PolarHBondContact O-N 3.44Å; I273-L276 PolarHBondContact O-N 3.46Å; L276-R278 PolarHBondContact O-N 2.86Å; L276-T279 CarbonylContact O-C 3.33Å; L276-T279 WeakPolarHBondContact O-CB 3.21Å; L276-T279 PolarHBondContact O-N 3.46Å; L276-T279 VanDerWaalsContact O-N 3.1Å; L276-D280 PolarHBondContact O-N 3.09Å |
| 277 | F | 88.4 | Confident | 88.1 | Confident | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.1 | -24.1 | 179.2 | 174 | -111.7 | 0 | 0 | 0 | 113.8 | W261 I273 A275 S281 L284 L311 G314 M315 K318 | W261-F277 HydrophobicContact CH2-CB 4.16Å; W261-F277 HydrophobicContact CZ3-CB 3.93Å; I273-F277 WeakPolarHBondContact O-CB 3.45Å; I273-F277 PolarHBondContact O-N 3.1Å; A275-F277 PolarHBondContact O-N 3.4Å; F277-S281 WeakPolarHBondContact CE2-OG 3.22Å; F277-L284 HydrophobicContact CD2-CD1 4.05Å; F277-L284 HydrophobicContact CD2-CD2 3.94Å; F277-L284 HydrophobicContact CD2-CG 3.88Å; F277-L284 HydrophobicContact CE2-CD1 3.47Å; F277-L284 VanDerWaalsContact CE2-CD1 3.47Å; F277-L284 HydrophobicContact CE2-CD2 4.12Å; F277-L284 HydrophobicContact CE2-CG 3.84Å; F277-L284 HydrophobicContact CZ-CD1 4.24Å; F277-L311 HydrophobicContact CD1-CD1 4.09Å; F277-L311 HydrophobicContact CG-CD1 4.23Å; F277-G314 WeakPolarHBondContact CE1-O 3.26Å; F277-M315 HydrophobicContact CE1-CG 4.1Å; F277-M315 HydrophobicContact CE2-CG 4.13Å; F277-M315 HydrophobicContact CZ-CB 4.38Å; F277-M315 HydrophobicContact CZ-CG 3.57Å; F277-K318 HydrophobicContact CE1-CD 4.41Å; F277-K318 HydrophobicContact CE2-CD 4.37Å; F277-K318 HydrophobicContact CZ-CD 3.85Å; F277-K318 PolarHBondContact O-NZ 2.87Å |
| 278 | R | 86.9 | Confident | 87.9 | Confident | 179 Ų | 179 | 52.3 Ų | 52.3 | 68% | 0.675 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -68.2 | -47.8 | 172.1 | -79 | 176.4 | -175.9 | 98.9 | -7.9 | 110.3 | Y274 A275 L276 K318 | Y274-R278 VanDerWaalsContact C-NH1 3.35Å; Y274-R278 VanDerWaalsContact O-CG 3.31Å; Y274-R278 WeakPolarHBondContact O-CG 3.5Å; Y274-R278 PolarHBondContact O-N 3.4Å; Y274-R278 PolarHBondContact O-NH1 3.15Å; A275-R278 WeakPolarHBondContact O-CB 3.4Å; A275-R278 PolarHBondContact O-N 3.46Å; A275-R278 VanDerWaalsContact O-N 3.15Å; L276-R278 PolarHBondContact O-N 2.86Å; R278-K318 PolarHBondContact O-NZ 3.44Å |
| 279 | T | 89.3 | Confident | 87.6 | Confident | 103 Ų | 103 | 58 Ų | 58 | 63% | 0.632 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63 | -60.4 | 174.8 | -42.7 | 0 | 0 | 0 | 0 | 111.4 | A275 L276 | A275-T279 PolarHBondContact O-N 2.82Å; A275-T279 PolarHBondContact O-OG1 3.12Å; L276-T279 CarbonylContact O-C 3.33Å; L276-T279 WeakPolarHBondContact O-CB 3.21Å; L276-T279 PolarHBondContact O-N 3.46Å; L276-T279 VanDerWaalsContact O-N 3.1Å |
| 280 | D | 84.9 | Confident | 87.2 | Confident | 32 Ų | 32 | 62.6 Ų | 62.6 | 17% | 0.171 | 32% | 0.321 | C | S | . | . | trans | -119.9 | 99.2 | -162.6 | -54 | -56.7 | 0 | 0 | 0 | 110.4 | Q257 L276 L283 | Q257-D280 PolarHBondContact NE2-OD1 3.4Å; Q257-D280 PolarHBondContact NE2-OD2 2.96Å; L276-D280 PolarHBondContact O-N 3.09Å; D280-L283 HydrophobicContact CB-CD1 3.58Å; D280-L283 HydrophobicContact CB-CG 3.82Å | ||
| 281 | S | 84.1 | Confident | 86.9 | Confident | 27 Ų | 27 | 63 Ų | 63 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -80.5 | -16.5 | -173.5 | -149.3 | 0 | 0 | 0 | 0 | 114.1 | F277 K318 L320 | F277-S281 WeakPolarHBondContact CE2-OG 3.22Å; S281-K318 WeakPolarHBondContact OG-CD 3.5Å; S281-L320 VanDerWaalsContact O-CD2 3.32Å; S281-L320 WeakPolarHBondContact O-CD2 3.45Å; S281-L320 WeakPolarHBondContact OG-CD1 3.21Å; S281-L320 VanDerWaalsContact OG-CD2 3.32Å; S281-L320 WeakPolarHBondContact OG-CD2 3.05Å |
| 282 | S | 83.3 | Confident | 86.8 | Confident | 93 Ų | 93 | 58.7 Ų | 58.7 | 65% | 0.65 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -71.9 | -28 | -177.5 | 47.6 | 0 | 0 | 0 | 0 | 113.8 | L284 | S282-L284 PolarHBondContact O-N 3.07Å; S282-L284 VanDerWaalsContact O-N 3.11Å |
| 283 | L | 83.8 | Confident | 86.8 | Confident | 5 Ų | 5 | 56.7 Ų | 56.7 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -64.1 | -20.5 | -169.2 | -56.2 | 179.6 | 0 | 0 | 0 | 114.2 | Q257 E258 W261 D280 N285 R286 | Q257-L283 HydrophobicContact CB-CD1 4.45Å; E258-L283 HydrophobicContact CG-CD2 3.74Å; W261-L283 HydrophobicContact CB-CD1 3.97Å; W261-L283 HydrophobicContact CD2-CB 3.73Å; W261-L283 HydrophobicContact CD2-CD1 4.12Å; W261-L283 HydrophobicContact CE3-CB 4.21Å; W261-L283 HydrophobicContact CE3-CD1 4.13Å; W261-L283 HydrophobicContact CG-CB 3.91Å; W261-L283 HydrophobicContact CG-CD1 4.09Å; W261-L283 HydrophobicContact CZ2-CB 4.19Å; W261-L283 PolarHBondContact NE1-O 3.14Å; D280-L283 HydrophobicContact CB-CD1 3.58Å; D280-L283 HydrophobicContact CB-CG 3.82Å; L283-N285 PolarHBondContact O-N 3.07Å; L283-R286 WeakPolarHBondContact O-CB 3.46Å; L283-R286 PolarHBondContact O-N 3.31Å |
| 284 | L | 82.6 | Confident | 86.8 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -52.6 | -48.9 | -177.9 | -71.9 | 171 | 0 | 0 | 0 | 114.4 | W261 F277 S282 R286 V295 L311 M315 L320 F322 | W261-L284 HydrophobicContact CH2-CD2 4.06Å; W261-L284 HydrophobicContact CZ2-CD2 4.16Å; F277-L284 HydrophobicContact CD2-CD1 4.05Å; F277-L284 HydrophobicContact CD2-CD2 3.94Å; F277-L284 HydrophobicContact CD2-CG 3.88Å; F277-L284 HydrophobicContact CE2-CD1 3.47Å; F277-L284 VanDerWaalsContact CE2-CD1 3.47Å; F277-L284 HydrophobicContact CE2-CD2 4.12Å; F277-L284 HydrophobicContact CE2-CG 3.84Å; F277-L284 HydrophobicContact CZ-CD1 4.24Å; S282-L284 PolarHBondContact O-N 3.07Å; S282-L284 VanDerWaalsContact O-N 3.11Å; L284-R286 VanDerWaalsContact C-N 3.33Å; L284-V295 HydrophobicContact CD2-CG1 4.33Å; L284-L311 HydrophobicContact CD2-CD1 4.13Å; L284-L311 HydrophobicContact CD2-CD2 4.19Å; L284-L311 HydrophobicContact CD2-CG 4.38Å; L284-M315 HydrophobicContact CD1-CE 3.65Å; L284-M315 HydrophobicContact CD1-CG 3.76Å; L284-M315 HydrophobicContact CD1-SD 3.56Å; L284-M315 VanDerWaalsContact CD1-SD 3.56Å; L284-M315 HydrophobicContact CD2-CG 4.42Å; L284-M315 HydrophobicContact CD2-SD 3.76Å; L284-M315 HydrophobicContact CG-SD 4.3Å; L284-L320 HydrophobicContact CD1-CB 4.41Å; L284-L320 HydrophobicContact CD1-CD2 3.8Å; L284-F322 HydrophobicContact CD2-CE2 4.18Å |
| 285 | N | 81.9 | Confident | 86.8 | Confident | 83 Ų | 83 | 54.9 Ų | 54.9 | 44% | 0.444 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -90.2 | -1.6 | -173.3 | -68.4 | -29.7 | 0 | 0 | 0 | 112.3 | L283 | L283-N285 PolarHBondContact O-N 3.07Š|
| 286 | R | 85.5 | Confident | 86.9 | Confident | 124 Ų | 124 | 52.6 Ų | 52.6 | 47% | 0.468 | 26% | 0.262 | S | S | . | . | trans | -69.8 | 145.3 | 175.5 | -164.1 | 61.8 | 162.6 | -174 | -21.3 | 110.2 | E258 M262 L283 L284 | E258-R286 WeakPolarHBondContact OE1-CD 3.31Å; E258-R286 WeakPolarHBondContact OE1-CG 3.42Å; E258-R286 IonicContact OE1-CZ 3.21Å; E258-R286 IonicContact OE1-NE 2.92Å; E258-R286 PolarHBondContact OE1-NE 3.48Å; E258-R286 IonicContact OE1-NH2 3.27Å; E258-R286 PolarHBondContact OE1-NH2 3.34Å; E258-R286 IonicContact OE2-CZ 3.25Å; E258-R286 VanDerWaalsContact OE2-CZ 3.25Å; E258-R286 IonicContact OE2-NE 2.67Å; E258-R286 PolarHBondContact OE2-NE 2.71Å; E258-R286 IonicContact OE2-NH2 2.74Å; E258-R286 PolarHBondContact OE2-NH2 3.48Å; M262-R286 HydrophobicContact CE-CG 3.71Å; L283-R286 WeakPolarHBondContact O-CB 3.46Å; L283-R286 PolarHBondContact O-N 3.31Å; L284-R286 VanDerWaalsContact C-N 3.33Å | ||
| 287 | K | 87.9 | Confident | 87 | Confident | 84 Ų | 84 | 51.7 Ų | 51.7 | 37% | 0.365 | 26% | 0.257 | S | S | . | . | trans | -113.9 | 134.6 | -177.1 | -65.7 | -175.4 | -177.7 | -172.2 | 0 | 109.8 | M262 F289 T294 K327 | M262-K287 VanDerWaalsContact CE-O 3.3Å; M262-K287 WeakPolarHBondContact CE-O 3.25Å; K287-F289 PolarHBondContact O-N 3.16Å; K287-T294 HydrophobicContact CG-CG2 3.73Å; K287-K327 PolarHBondContact NZ-O 3.26Å | ||
| 288 | D | 87.1 | Confident | 87.2 | Confident | 13 Ų | 13 | 52.4 Ų | 52.4 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | trans | -52.9 | 132.8 | 168.9 | 165.6 | 30.2 | 0 | 0 | 0 | 111 | M262 I290 S291 G292 F293 | M262-D288 HydrophobicContact SD-CB 4.36Å; D288-I290 VanDerWaalsContact C-N 3.27Å; D288-I290 PolarHBondContact O-N 3.29Å; D288-I290 WeakPolarHBondContact OD1-CB 3.42Å; D288-I290 PolarHBondContact OD1-N 2.65Å; D288-S291 WeakPolarHBondContact OD2-CA 3.48Å; D288-S291 WeakPolarHBondContact OD2-CB 3.27Å; D288-S291 PolarHBondContact OD2-N 2.99Å; D288-S291 PolarHBondContact OD2-OG 3.38Å; D288-G292 WeakPolarHBondContact O-CA 3.39Å; D288-G292 PolarHBondContact O-N 3.36Å; D288-F293 HydrophobicContact CB-CB 4.29Å; D288-F293 PolarHBondContact N-O 3.03Å | ||
| 289 | F | 83.5 | Confident | 87.5 | Confident | 137 Ų | 137 | 43.9 Ų | 43.9 | 60% | 0.601 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -21 | 179.5 | 60.8 | -83.8 | 0 | 0 | 0 | 113 | L254 M262 K287 | L254-F289 HydrophobicContact CD1-CD1 3.86Å; L254-F289 HydrophobicContact CD1-CE1 3.48Å; L254-F289 VanDerWaalsContact CD1-CE1 3.48Å; L254-F289 HydrophobicContact CD1-CZ 3.98Å; L254-F289 HydrophobicContact CD2-CD1 3.88Å; L254-F289 HydrophobicContact CD2-CE1 4.18Å; L254-F289 HydrophobicContact CG-CE1 4.5Å; M262-F289 HydrophobicContact SD-CD1 4.18Å; M262-F289 HydrophobicContact SD-CE1 4.43Å; K287-F289 PolarHBondContact O-N 3.16Å |
| 290 | I | 85 | Confident | 87.7 | Confident | 122 Ų | 122 | 39 Ų | 39 | 63% | 0.626 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -53 | 178.2 | -51.7 | 176.1 | 0 | 0 | 0 | 110.3 | D288 | D288-I290 VanDerWaalsContact C-N 3.27Å; D288-I290 PolarHBondContact O-N 3.29Å; D288-I290 WeakPolarHBondContact OD1-CB 3.42Å; D288-I290 PolarHBondContact OD1-N 2.65Å |
| 291 | S | 86.1 | Confident | 88.1 | Confident | 30 Ų | 30 | 41.2 Ų | 41.2 | 21% | 0.21 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -10 | -169.3 | -34.1 | 0 | 0 | 0 | 0 | 114.1 | D288 F293 S328 T329 | D288-S291 WeakPolarHBondContact OD2-CA 3.48Å; D288-S291 WeakPolarHBondContact OD2-CB 3.27Å; D288-S291 PolarHBondContact OD2-N 2.99Å; D288-S291 PolarHBondContact OD2-OG 3.38Å; S291-F293 WeakPolarHBondContact O-CD1 3.46Å; S291-F293 PolarHBondContact O-N 3.5Å; S291-S328 WeakPolarHBondContact O-CB 3.44Å; S291-T329 VanDerWaalsContact C-OG1 3.27Å; S291-T329 PolarHBondContact O-N 3.09Å; S291-T329 PolarHBondContact O-OG1 3.05Å; S291-T329 VanDerWaalsContact O-OG1 3.05Å |
| 292 | G | 89.5 | Confident | 88.4 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 6% | 0.062 | 21% | 0.212 | C | C | . | . | trans | 68.1 | 11.2 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D288 S328 | D288-G292 WeakPolarHBondContact O-CA 3.39Å; D288-G292 PolarHBondContact O-N 3.36Å; G292-S328 WeakPolarHBondContact O-CA 3.5Å | ||
| 293 | F | 91.2 | Very high | 88.9 | Confident | 32 Ų | 32 | 39.6 Ų | 39.6 | 14% | 0.14 | 19% | 0.189 | C | C | . | . | trans | -77.7 | 124.4 | -171.3 | -79 | 12.5 | 0 | 0 | 0 | 111.6 | D288 S291 H297 W298 I337 | D288-F293 HydrophobicContact CB-CB 4.29Å; D288-F293 PolarHBondContact N-O 3.03Å; S291-F293 WeakPolarHBondContact O-CD1 3.46Å; S291-F293 PolarHBondContact O-N 3.5Å; F293-H297 HydrophobicContact CB-CB 3.7Å; F293-H297 HydrophobicContact CD1-CB 3.95Å; F293-H297 AromaticContact CD1-CD2 3.75Å; F293-H297 AromaticContact CD1-CG 3.99Å; F293-H297 HydrophobicContact CD2-CB 3.86Å; F293-H297 HydrophobicContact CE2-CB 4.47Å; F293-H297 HydrophobicContact CG-CB 3.56Å; F293-W298 HydrophobicContact CB-CD2 4.47Å; F293-W298 HydrophobicContact CB-CZ2 4.07Å; F293-W298 AromaticContact CD2-CD2 3.99Å; F293-W298 HydrophobicContact CD2-CD2 3.99Å; F293-W298 AromaticContact CD2-CE2 3.8Å; F293-W298 HydrophobicContact CD2-CE3 4.19Å; F293-W298 HydrophobicContact CD2-CH2 4.07Å; F293-W298 AromaticContact CD2-CZ2 3.84Å; F293-W298 HydrophobicContact CD2-CZ2 3.84Å; F293-W298 HydrophobicContact CD2-CZ3 4.25Å; F293-W298 HydrophobicContact CG-CZ2 4.38Å; F293-I337 HydrophobicContact CE1-CD1 4.12Å; F293-I337 HydrophobicContact CZ-CD1 3.76Å; F293-I337 HydrophobicContact CZ-CG1 4.41Å | ||
| 294 | T | 91.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 21% | 0.206 | C | C | . | . | trans | -75.7 | 167.2 | 161.9 | 60.4 | 0 | 0 | 0 | 0 | 110.5 | K287 L296 H297 W298 A326 | K287-T294 HydrophobicContact CG-CG2 3.73Å; T294-L296 PolarHBondContact O-N 2.84Å; T294-L296 VanDerWaalsContact O-N 3.08Å; T294-H297 PolarHBondContact N-ND1 3.15Å; T294-H297 WeakPolarHBondContact O-CB 3.33Å; T294-H297 PolarHBondContact O-N 3.26Å; T294-H297 PolarHBondContact OG1-ND1 2.93Å; T294-W298 VanDerWaalsContact O-CD1 3.29Å; T294-W298 PolarHBondContact O-N 3.46Å; T294-A326 HydrophobicContact CG2-CB 3.84Å | ||
| 295 | V | 90.9 | Very high | 89.5 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.7 | -29.9 | 177.1 | 70.2 | 0 | 0 | 0 | 0 | 112.7 | W261 A265 W270 I273 L284 W298 I299 L311 F322 | W261-V295 HydrophobicContact CH2-CG1 4.42Å; W261-V295 HydrophobicContact CZ2-CB 3.79Å; W261-V295 HydrophobicContact CZ2-CG1 3.71Å; W261-V295 HydrophobicContact CZ2-CG2 4.08Å; A265-V295 HydrophobicContact CB-CG2 4.13Å; W270-V295 HydrophobicContact CZ3-CG2 4.32Å; I273-V295 HydrophobicContact CD1-CG2 3.89Å; L284-V295 HydrophobicContact CD2-CG1 4.33Å; V295-W298 WeakPolarHBondContact O-CB 3.38Å; V295-W298 PolarHBondContact O-N 3.39Å; V295-I299 HydrophobicContact CG2-CD1 4.37Å; V295-I299 WeakPolarHBondContact O-CG1 3.16Å; V295-I299 PolarHBondContact O-N 3.21Å; V295-L311 HydrophobicContact CG1-CD2 4.07Å; V295-F322 HydrophobicContact CG1-CE2 4.01Å; V295-F322 HydrophobicContact CG1-CZ 3.63Å |
| 296 | L | 91.6 | Very high | 90 | Very high | 4 Ų | 4 | 51.2 Ų | 51.2 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -70 | -29.3 | 175.6 | -177 | 59.1 | 0 | 0 | 0 | 114 | T294 W298 A300 I308 F322 V324 P334 L350 | T294-L296 PolarHBondContact O-N 2.84Å; T294-L296 VanDerWaalsContact O-N 3.08Å; L296-W298 VanDerWaalsContact C-N 3.33Å; L296-A300 WeakPolarHBondContact O-CB 3.19Å; L296-A300 PolarHBondContact O-N 3.01Å; L296-I308 HydrophobicContact CD1-CD1 3.43Å; L296-I308 VanDerWaalsContact CD1-CD1 3.43Å; L296-I308 HydrophobicContact CD1-CG1 3.91Å; L296-F322 HydrophobicContact CB-CD1 4.16Å; L296-F322 HydrophobicContact CB-CE1 3.35Å; L296-F322 HydrophobicContact CB-CE2 4.29Å; L296-F322 HydrophobicContact CB-CZ 3.46Å; L296-F322 VanDerWaalsContact CB-CZ 3.46Å; L296-F322 HydrophobicContact CD2-CD1 3.65Å; L296-F322 HydrophobicContact CD2-CE1 3.73Å; L296-F322 HydrophobicContact CD2-CG 4.34Å; L296-F322 HydrophobicContact CD2-CZ 4.42Å; L296-F322 HydrophobicContact CG-CE1 4.16Å; L296-F322 HydrophobicContact CG-CZ 4.49Å; L296-V324 HydrophobicContact CD2-CG1 4.47Å; L296-P334 HydrophobicContact CB-CG 4.21Å; L296-P334 HydrophobicContact CD2-CB 4.2Å; L296-P334 HydrophobicContact CD2-CG 3.88Å; L296-P334 HydrophobicContact CG-CB 3.77Å; L296-P334 HydrophobicContact CG-CG 3.72Å; L296-L350 HydrophobicContact CD1-CD2 4.26Å; L296-L350 HydrophobicContact CD2-CD2 4.16Å |
| 297 | H | 92.6 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.9 | -39.5 | 169.8 | -70.2 | 76.3 | 0 | 0 | 0 | 110.9 | F293 T294 A300 K301 A326 Q332 | F293-H297 HydrophobicContact CB-CB 3.7Å; F293-H297 HydrophobicContact CD1-CB 3.95Å; F293-H297 AromaticContact CD1-CD2 3.75Å; F293-H297 AromaticContact CD1-CG 3.99Å; F293-H297 HydrophobicContact CD2-CB 3.86Å; F293-H297 HydrophobicContact CE2-CB 4.47Å; F293-H297 HydrophobicContact CG-CB 3.56Å; T294-H297 PolarHBondContact N-ND1 3.15Å; T294-H297 WeakPolarHBondContact O-CB 3.33Å; T294-H297 PolarHBondContact O-N 3.26Å; T294-H297 PolarHBondContact OG1-ND1 2.93Å; H297-A300 PolarHBondContact O-N 3.36Å; H297-K301 WeakPolarHBondContact O-CB 3.34Å; H297-K301 PolarHBondContact O-N 3.06Å; H297-A326 PolarHBondContact CE1-O 3.3Å; H297-A326 PolarHBondContact NE2-O 2.89Å; H297-Q332 PolarHBondContact NE2-O 2.94Å; H297-Q332 VanDerWaalsContact NE2-O 3.17Å |
| 298 | W | 92.8 | Very high | 90.5 | Very high | 23 Ų | 23 | 42.3 Ų | 42.3 | 9% | 0.087 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 176.1 | -63.6 | 109.2 | 0 | 0 | 0 | 111.8 | A265 A266 W270 F293 T294 V295 L296 A300 K301 H302 | A265-W298 HydrophobicContact CB-CB 4.06Å; A265-W298 HydrophobicContact CB-CG 3.83Å; A266-W298 HydrophobicContact CB-CD2 4.4Å; A266-W298 HydrophobicContact CB-CE3 4.15Å; A266-W298 HydrophobicContact CB-CH2 3.85Å; A266-W298 HydrophobicContact CB-CZ2 4.13Å; A266-W298 HydrophobicContact CB-CZ3 3.85Å; W270-W298 HydrophobicContact CH2-CB 4.35Å; F293-W298 HydrophobicContact CB-CD2 4.47Å; F293-W298 HydrophobicContact CB-CZ2 4.07Å; F293-W298 AromaticContact CD2-CD2 3.99Å; F293-W298 HydrophobicContact CD2-CD2 3.99Å; F293-W298 AromaticContact CD2-CE2 3.8Å; F293-W298 HydrophobicContact CD2-CE3 4.19Å; F293-W298 HydrophobicContact CD2-CH2 4.07Å; F293-W298 AromaticContact CD2-CZ2 3.84Å; F293-W298 HydrophobicContact CD2-CZ2 3.84Å; F293-W298 HydrophobicContact CD2-CZ3 4.25Å; F293-W298 HydrophobicContact CG-CZ2 4.38Å; T294-W298 VanDerWaalsContact O-CD1 3.29Å; T294-W298 PolarHBondContact O-N 3.46Å; V295-W298 WeakPolarHBondContact O-CB 3.38Å; V295-W298 PolarHBondContact O-N 3.39Å; L296-W298 VanDerWaalsContact C-N 3.33Å; W298-A300 VanDerWaalsContact C-N 3.33Å; W298-A300 PolarHBondContact O-N 3.4Å; W298-K301 HydrophobicContact CE3-CD 3.89Å; W298-K301 HydrophobicContact CZ3-CD 3.97Å; W298-K301 WeakPolarHBondContact O-CB 3.1Å; W298-K301 PolarHBondContact O-N 2.83Å; W298-K301 VanDerWaalsContact O-N 3.15Å; W298-H302 PolarHBondContact O-CD2 2.96Å; W298-H302 PolarHBondContact O-N 2.83Å |
| 299 | I | 92.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.3 | -45.3 | 173.2 | -62.8 | 163.1 | 0 | 0 | 0 | 110.3 | W270 V295 K301 H302 G303 V307 I308 L311 I346 | W270-I299 HydrophobicContact CE3-CG1 4.27Å; W270-I299 HydrophobicContact CH2-CB 4.15Å; W270-I299 HydrophobicContact CH2-CG1 3.44Å; W270-I299 VanDerWaalsContact CH2-CG1 3.44Å; W270-I299 HydrophobicContact CZ2-CG1 4.17Å; W270-I299 HydrophobicContact CZ3-CD1 4.39Å; W270-I299 HydrophobicContact CZ3-CG1 3.5Å; W270-I299 VanDerWaalsContact CZ3-CG1 3.5Å; V295-I299 HydrophobicContact CG2-CD1 4.37Å; V295-I299 WeakPolarHBondContact O-CG1 3.16Å; V295-I299 PolarHBondContact O-N 3.21Å; I299-K301 PolarHBondContact O-N 3Å; I299-H302 PolarHBondContact O-N 3.13Å; I299-G303 PolarHBondContact O-N 2.77Å; I299-V307 HydrophobicContact CD1-CG1 3.87Å; I299-V307 HydrophobicContact CG1-CG1 3.84Å; I299-V307 HydrophobicContact CG2-CB 4.46Å; I299-V307 HydrophobicContact CG2-CG1 4.45Å; I299-I308 HydrophobicContact CG2-CB 4.09Å; I299-L311 HydrophobicContact CD1-CD2 3.91Å; I299-I346 HydrophobicContact CG2-CD1 4.09Å; I299-I346 WeakPolarHBondContact O-CD1 3.43Å |
| 300 | A | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -21.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L296 H297 W298 P334 I337 A338 H343 I346 | L296-A300 WeakPolarHBondContact O-CB 3.19Å; L296-A300 PolarHBondContact O-N 3.01Å; H297-A300 PolarHBondContact O-N 3.36Å; W298-A300 VanDerWaalsContact C-N 3.33Å; W298-A300 PolarHBondContact O-N 3.4Å; A300-P334 HydrophobicContact CB-CB 4.03Å; A300-P334 WeakPolarHBondContact CB-O 3.32Å; A300-I337 HydrophobicContact CB-CB 4.14Å; A300-I337 HydrophobicContact CB-CG2 4.25Å; A300-A338 HydrophobicContact CB-CB 4.2Å; A300-H343 PolarHBondContact O-CD2 2.8Å; A300-I346 HydrophobicContact CB-CG2 4.32Å |
| 301 | K | 93.3 | Very high | 91.2 | Very high | 79 Ų | 79 | 34.8 Ų | 34.8 | 34% | 0.343 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -79.3 | -45.8 | 173.2 | -174.7 | -165.8 | 176.6 | -171.8 | 0 | 111.8 | H297 W298 I299 I337 H343 | H297-K301 WeakPolarHBondContact O-CB 3.34Å; H297-K301 PolarHBondContact O-N 3.06Å; W298-K301 HydrophobicContact CE3-CD 3.89Å; W298-K301 HydrophobicContact CZ3-CD 3.97Å; W298-K301 WeakPolarHBondContact O-CB 3.1Å; W298-K301 PolarHBondContact O-N 2.83Å; W298-K301 VanDerWaalsContact O-N 3.15Å; I299-K301 PolarHBondContact O-N 3Å; K301-I337 HydrophobicContact CB-CG2 3.87Å; K301-H343 PolarHBondContact O-CD2 3.03Å; K301-H343 PolarHBondContact O-NE2 3.19Å |
| 302 | H | 91.8 | Very high | 91.3 | Very high | 69 Ų | 69 | 36.1 Ų | 36.1 | 32% | 0.319 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -75.6 | -35.9 | -175.5 | -73 | -66.8 | 0 | 0 | 0 | 113.2 | A265 A266 G268 W270 W298 I299 H343 | A265-H302 PolarHBondContact O-NE2 2.91Å; A266-H302 PolarHBondContact O-CE1 3.06Å; A266-H302 PolarHBondContact O-NE2 2.94Å; A266-H302 VanDerWaalsContact O-NE2 3.16Å; G268-H302 PolarHBondContact N-NE2 2.94Å; W270-H302 AromaticContact CH2-CD2 3.71Å; W270-H302 HydrophobicContact CZ2-CB 3.9Å; W270-H302 AromaticContact CZ2-CD2 3.41Å; W270-H302 VanDerWaalsContact CZ2-CD2 3.41Å; W270-H302 WeakPolarHBondContact CZ2-CD2 3.42Å; W270-H302 AromaticContact CZ2-CG 3.92Å; W298-H302 PolarHBondContact O-CD2 2.96Å; W298-H302 PolarHBondContact O-N 2.83Å; I299-H302 PolarHBondContact O-N 3.13Å; H302-H343 PolarHBondContact O-CE1 3.4Å; H302-H343 PolarHBondContact O-NE2 3.34Å |
| 303 | G | 92.1 | Very high | 91.2 | Very high | 16 Ų | 16 | 42.2 Ų | 42.2 | 17% | 0.165 | 19% | 0.193 | C | C | . | . | trans | 102.4 | -4.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | I299 H305 H343 I346 | I299-G303 PolarHBondContact O-N 2.77Å; G303-H305 VanDerWaalsContact C-N 3.34Å; G303-H305 PolarHBondContact O-N 2.95Å; G303-H343 VanDerWaalsContact CA-CD2 3.49Å; G303-H343 WeakPolarHBondContact CA-CD2 3.48Å; G303-H343 VanDerWaalsContact CA-CE1 3.44Å; G303-H343 WeakPolarHBondContact CA-CE1 3.24Å; G303-H343 WeakPolarHBondContact CA-ND1 3.41Å; G303-H343 WeakPolarHBondContact CA-NE2 3.42Å; G303-H343 PolarHBondContact N-NE2 2.93Å; G303-I346 VanDerWaalsContact C-CD1 3.46Å | ||
| 304 | D | 90.9 | Very high | 91 | Very high | 71 Ų | 71 | 42 Ų | 42 | 38% | 0.38 | 20% | 0.2 | S | C | . | . | trans | -69.3 | 79.7 | -177 | -76.4 | -51.3 | 0 | 0 | 0 | 113.8 | W270 R306 V307 | W270-D304 PolarHBondContact NE1-OD2 2.6Å; D304-R306 PolarHBondContact O-N 3.2Å; D304-V307 HydrophobicContact CB-CB 4.04Å; D304-V307 HydrophobicContact CB-CG2 3.57Å; D304-V307 WeakPolarHBondContact O-CB 3.44Å; D304-V307 PolarHBondContact O-N 3.22Å | ||
| 305 | H | 89.8 | Confident | 90.8 | Very high | 72 Ų | 72 | 42 Ų | 42 | 33% | 0.333 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -8.6 | 175.1 | 77.1 | 87.5 | 0 | 0 | 0 | 114.6 | G303 I308 N309 N345 I346 L349 | G303-H305 VanDerWaalsContact C-N 3.34Å; G303-H305 PolarHBondContact O-N 2.95Å; H305-I308 WeakPolarHBondContact O-CG2 3.35Å; H305-N309 PolarHBondContact O-ND2 3.1Å; H305-N345 HydrophobicContact CB-CB 3.76Å; H305-I346 HydrophobicContact CB-CG1 4.01Å; H305-L349 HydrophobicContact CB-CD1 3.82Å; H305-L349 WeakPolarHBondContact O-CD1 3.43Å |
| 306 | R | 92.3 | Very high | 90.6 | Very high | 190 Ų | 190 | 46.5 Ų | 46.5 | 72% | 0.717 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -43.1 | 169.4 | -63.2 | -179.8 | 70.2 | -175.1 | 2.3 | 110.7 | D304 I308 N309 T310 | D304-R306 PolarHBondContact O-N 3.2Å; R306-I308 PolarHBondContact O-N 3Å; R306-N309 PolarHBondContact O-N 3.48Å; R306-N309 VanDerWaalsContact O-N 3.12Å; R306-T310 PolarHBondContact O-N 2.76Å; R306-T310 PolarHBondContact O-OG1 3.1Å; R306-T310 VanDerWaalsContact O-OG1 3.09Å |
| 307 | V | 91.9 | Very high | 90.2 | Very high | 11 Ų | 11 | 54.4 Ų | 54.4 | 7% | 0.067 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.8 | -41.1 | -172.2 | 171.5 | 0 | 0 | 0 | 0 | 111.9 | W270 Y274 I299 D304 N309 T310 L311 | W270-V307 HydrophobicContact CB-CG1 4.18Å; W270-V307 HydrophobicContact CB-CG2 3.91Å; W270-V307 HydrophobicContact CD2-CB 4.3Å; W270-V307 HydrophobicContact CD2-CG1 3.53Å; W270-V307 HydrophobicContact CD2-CG2 3.9Å; W270-V307 HydrophobicContact CE3-CG1 3.6Å; W270-V307 HydrophobicContact CG-CB 4.28Å; W270-V307 HydrophobicContact CG-CG1 3.81Å; W270-V307 HydrophobicContact CG-CG2 3.44Å; W270-V307 VanDerWaalsContact CG-CG2 3.44Å; W270-V307 HydrophobicContact CZ3-CG1 4.21Å; Y274-V307 VanDerWaalsContact OH-CA 3.22Å; Y274-V307 WeakPolarHBondContact OH-CA 3.31Å; Y274-V307 VanDerWaalsContact OH-CG1 3.28Å; Y274-V307 WeakPolarHBondContact OH-CG1 3.05Å; Y274-V307 PolarHBondContact OH-O 2.9Å; I299-V307 HydrophobicContact CD1-CG1 3.87Å; I299-V307 HydrophobicContact CG1-CG1 3.84Å; I299-V307 HydrophobicContact CG2-CB 4.46Å; I299-V307 HydrophobicContact CG2-CG1 4.45Å; D304-V307 HydrophobicContact CB-CB 4.04Å; D304-V307 HydrophobicContact CB-CG2 3.57Å; D304-V307 WeakPolarHBondContact O-CB 3.44Å; D304-V307 PolarHBondContact O-N 3.22Å; V307-N309 PolarHBondContact O-N 3.27Å; V307-T310 WeakPolarHBondContact CA-OG1 3.48Å; V307-T310 PolarHBondContact O-N 3Å; V307-T310 PolarHBondContact O-OG1 3.43Å; V307-L311 VanDerWaalsContact O-CB 3.26Å; V307-L311 WeakPolarHBondContact O-CB 3.34Å; V307-L311 PolarHBondContact O-N 2.98Å |
| 308 | I | 90.4 | Very high | 89.8 | Confident | 10 Ų | 10 | 58.5 Ų | 58.5 | 5% | 0.051 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.8 | -34.6 | 175.5 | -164.5 | 173.8 | 0 | 0 | 0 | 112 | L296 I299 H305 R306 W312 L349 L350 F354 | L296-I308 HydrophobicContact CD1-CD1 3.43Å; L296-I308 VanDerWaalsContact CD1-CD1 3.43Å; L296-I308 HydrophobicContact CD1-CG1 3.91Å; I299-I308 HydrophobicContact CG2-CB 4.09Å; H305-I308 WeakPolarHBondContact O-CG2 3.35Å; R306-I308 PolarHBondContact O-N 3Å; I308-W312 WeakPolarHBondContact O-CB 3.46Å; I308-W312 PolarHBondContact O-N 3.49Å; I308-L349 HydrophobicContact CG2-CD1 3.58Å; I308-L350 HydrophobicContact CD1-CD2 3.99Å; I308-L350 HydrophobicContact CD1-CG 4.49Å; I308-F354 HydrophobicContact CD1-CD2 3.83Å; I308-F354 HydrophobicContact CD1-CE2 3.46Å; I308-F354 VanDerWaalsContact CD1-CE2 3.46Å; I308-F354 HydrophobicContact CD1-CZ 4.4Å; I308-F354 HydrophobicContact CG1-CD2 4.41Å; I308-F354 HydrophobicContact CG1-CE2 3.63Å; I308-F354 HydrophobicContact CG1-CZ 4.12Å; I308-F354 HydrophobicContact CG2-CE2 4.47Å |
| 309 | N | 90.9 | Very high | 89.2 | Confident | 34 Ų | 34 | 60.8 Ų | 60.8 | 18% | 0.182 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75.6 | -45.7 | 177.4 | -79.9 | -62.3 | 0 | 0 | 0 | 112.1 | H305 R306 V307 L311 W312 Y313 L349 K353 | H305-N309 PolarHBondContact O-ND2 3.1Å; R306-N309 PolarHBondContact O-N 3.48Å; R306-N309 VanDerWaalsContact O-N 3.12Å; V307-N309 PolarHBondContact O-N 3.27Å; N309-L311 VanDerWaalsContact C-N 3.29Å; N309-L311 PolarHBondContact O-N 3.47Å; N309-W312 WeakPolarHBondContact O-CB 3.39Å; N309-W312 PolarHBondContact O-N 2.85Å; N309-Y313 HydrophobicContact CB-CE2 4.41Å; N309-Y313 WeakPolarHBondContact O-CD2 3.35Å; N309-Y313 PolarHBondContact O-N 3.45Å; N309-L349 VanDerWaalsContact ND2-CD1 3.31Å; N309-L349 WeakPolarHBondContact ND2-CD1 3.47Å; N309-K353 PolarHBondContact OD1-NZ 2.97Å |
| 310 | T | 90.8 | Very high | 88.8 | Confident | 77 Ų | 77 | 63.6 Ų | 63.6 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -67.7 | -28.2 | 176.7 | 36 | 0 | 0 | 0 | 0 | 113 | Y274 R306 V307 G314 | Y274-T310 PolarHBondContact OH-OG1 3.4Å; R306-T310 PolarHBondContact O-N 2.76Å; R306-T310 PolarHBondContact O-OG1 3.1Å; R306-T310 VanDerWaalsContact O-OG1 3.09Å; V307-T310 WeakPolarHBondContact CA-OG1 3.48Å; V307-T310 PolarHBondContact O-N 3Å; V307-T310 PolarHBondContact O-OG1 3.43Å; T310-G314 PolarHBondContact O-N 3.17Å |
| 311 | L | 88.6 | Confident | 88 | Confident | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -71.4 | -44.9 | 170.2 | -168.8 | 60.8 | 0 | 0 | 0 | 111.4 | Y274 F277 L284 V295 I299 V307 N309 Y313 G314 M315 F322 | Y274-L311 HydrophobicContact CD1-CD1 4.18Å; Y274-L311 HydrophobicContact CE1-CB 3.85Å; Y274-L311 HydrophobicContact CE1-CD1 3.83Å; Y274-L311 HydrophobicContact CE1-CG 4.44Å; F277-L311 HydrophobicContact CD1-CD1 4.09Å; F277-L311 HydrophobicContact CG-CD1 4.23Å; L284-L311 HydrophobicContact CD2-CD1 4.13Å; L284-L311 HydrophobicContact CD2-CD2 4.19Å; L284-L311 HydrophobicContact CD2-CG 4.38Å; V295-L311 HydrophobicContact CG1-CD2 4.07Å; I299-L311 HydrophobicContact CD1-CD2 3.91Å; V307-L311 VanDerWaalsContact O-CB 3.26Å; V307-L311 WeakPolarHBondContact O-CB 3.34Å; V307-L311 PolarHBondContact O-N 2.98Å; N309-L311 VanDerWaalsContact C-N 3.29Å; N309-L311 PolarHBondContact O-N 3.47Å; L311-Y313 PolarHBondContact O-N 2.78Å; L311-G314 PolarHBondContact O-N 2.89Å; L311-G314 VanDerWaalsContact O-N 3.17Å; L311-M315 HydrophobicContact CG-SD 4.1Å; L311-M315 WeakPolarHBondContact O-CG 3.43Å; L311-M315 PolarHBondContact O-N 2.82Å; L311-F322 HydrophobicContact CD2-CE2 3.96Å |
| 312 | W | 88.2 | Confident | 87.3 | Confident | 59 Ų | 59 | 65.1 Ų | 65.1 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -54.4 | -52.6 | 174.7 | 178.7 | -90.1 | 0 | 0 | 0 | 112.3 | I308 N309 G314 M315 E316 F354 | I308-W312 WeakPolarHBondContact O-CB 3.46Å; I308-W312 PolarHBondContact O-N 3.49Å; N309-W312 WeakPolarHBondContact O-CB 3.39Å; N309-W312 PolarHBondContact O-N 2.85Å; W312-G314 VanDerWaalsContact C-N 3.25Å; W312-G314 PolarHBondContact O-N 3.27Å; W312-M315 WeakPolarHBondContact O-CB 3.45Å; W312-M315 PolarHBondContact O-N 3.03Å; W312-E316 VanDerWaalsContact NE1-CD 3.26Å; W312-E316 PolarHBondContact NE1-OE1 3.3Å; W312-E316 PolarHBondContact NE1-OE2 2.79Å; W312-E316 WeakPolarHBondContact O-CB 3.35Å; W312-E316 PolarHBondContact O-N 3.29Å; W312-F354 HydrophobicContact CB-CE1 4.16Å; W312-F354 HydrophobicContact CB-CZ 4.18Å; W312-F354 HydrophobicContact CD2-CD1 4.25Å; W312-F354 AromaticContact CD2-CE1 3.46Å; W312-F354 HydrophobicContact CD2-CE1 3.46Å; W312-F354 VanDerWaalsContact CD2-CE1 3.46Å; W312-F354 HydrophobicContact CD2-CZ 4.34Å; W312-F354 AromaticContact CE3-CD1 3.76Å; W312-F354 HydrophobicContact CE3-CD1 3.76Å; W312-F354 AromaticContact CE3-CE1 3.32Å; W312-F354 HydrophobicContact CE3-CE1 3.32Å; W312-F354 HydrophobicContact CE3-CZ 4.32Å; W312-F354 AromaticContact CG-CE1 3.83Å; W312-F354 HydrophobicContact CG-CE1 3.83Å; W312-F354 HydrophobicContact CG-CZ 4.28Å; W312-F354 HydrophobicContact CH2-CD1 4.39Å; W312-F354 HydrophobicContact CH2-CE1 4.49Å; W312-F354 AromaticContact CZ3-CD1 3.83Å; W312-F354 HydrophobicContact CZ3-CD1 3.83Å; W312-F354 AromaticContact CZ3-CE1 3.88Å; W312-F354 HydrophobicContact CZ3-CE1 3.88Å |
| 313 | Y | 88.6 | Confident | 87 | Confident | 134 Ų | 134 | 65 Ų | 65 | 53% | 0.525 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -58.7 | -37.9 | 179.1 | -70.1 | -58.2 | 0 | 0 | 0 | 112 | N309 L311 M315 E316 Q317 | N309-Y313 HydrophobicContact CB-CE2 4.41Å; N309-Y313 WeakPolarHBondContact O-CD2 3.35Å; N309-Y313 PolarHBondContact O-N 3.45Å; L311-Y313 PolarHBondContact O-N 2.78Å; Y313-M315 VanDerWaalsContact C-N 3.31Å; Y313-M315 PolarHBondContact O-N 3.06Å; Y313-E316 WeakPolarHBondContact CD1-OE2 3.23Å; Y313-Q317 VanDerWaalsContact O-CG 3.27Å; Y313-Q317 WeakPolarHBondContact O-CG 3.27Å; Y313-Q317 PolarHBondContact O-N 2.75Å |
| 314 | G | 86.6 | Confident | 86.8 | Confident | 28 Ų | 28 | 65.3 Ų | 65.3 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -66.4 | -29.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | F277 T310 L311 W312 | F277-G314 WeakPolarHBondContact CE1-O 3.26Å; T310-G314 PolarHBondContact O-N 3.17Å; L311-G314 PolarHBondContact O-N 2.89Å; L311-G314 VanDerWaalsContact O-N 3.17Å; W312-G314 VanDerWaalsContact C-N 3.25Å; W312-G314 PolarHBondContact O-N 3.27Å |
| 315 | M | 86.5 | Confident | 86.7 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -81.4 | -41 | 178.1 | -71.8 | 175.3 | 53.2 | 0 | 0 | 112.8 | F277 L284 L311 W312 Y313 Q317 K318 G319 L320 S321 F322 | F277-M315 HydrophobicContact CE1-CG 4.1Å; F277-M315 HydrophobicContact CE2-CG 4.13Å; F277-M315 HydrophobicContact CZ-CB 4.38Å; F277-M315 HydrophobicContact CZ-CG 3.57Å; L284-M315 HydrophobicContact CD1-CE 3.65Å; L284-M315 HydrophobicContact CD1-CG 3.76Å; L284-M315 HydrophobicContact CD1-SD 3.56Å; L284-M315 VanDerWaalsContact CD1-SD 3.56Å; L284-M315 HydrophobicContact CD2-CG 4.42Å; L284-M315 HydrophobicContact CD2-SD 3.76Å; L284-M315 HydrophobicContact CG-SD 4.3Å; L311-M315 HydrophobicContact CG-SD 4.1Å; L311-M315 WeakPolarHBondContact O-CG 3.43Å; L311-M315 PolarHBondContact O-N 2.82Å; W312-M315 WeakPolarHBondContact O-CB 3.45Å; W312-M315 PolarHBondContact O-N 3.03Å; Y313-M315 VanDerWaalsContact C-N 3.31Å; Y313-M315 PolarHBondContact O-N 3.06Å; M315-Q317 VanDerWaalsContact C-N 3.29Å; M315-Q317 PolarHBondContact O-N 2.82Å; M315-K318 CarbonylContact O-C 3.47Å; M315-K318 WeakPolarHBondContact O-CA 3.15Å; M315-K318 PolarHBondContact O-N 3.22Å; M315-G319 PolarHBondContact O-N 2.65Å; M315-L320 HydrophobicContact CB-CB 4.45Å; M315-L320 HydrophobicContact CE-CB 4.29Å; M315-L320 PolarHBondContact O-N 3.47Å; M315-S321 VanDerWaalsContact CE-C 3.44Å; M315-S321 WeakPolarHBondContact CE-O 3.44Å; M315-F322 HydrophobicContact CE-CB 3.81Å; M315-F322 HydrophobicContact CE-CD2 3.63Å; M315-F322 HydrophobicContact CE-CE2 4.49Å; M315-F322 HydrophobicContact CE-CG 4.11Å; M315-F322 HydrophobicContact SD-CD2 3.51Å; M315-F322 VanDerWaalsContact SD-CD2 3.51Å; M315-F322 HydrophobicContact SD-CE2 4.01Å |
| 316 | E | 86.9 | Confident | 86.7 | Confident | 97 Ų | 97 | 60.9 Ų | 60.9 | 45% | 0.453 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -56.6 | -42.6 | 175.8 | -169.9 | 166 | -115.7 | 0 | 0 | 110.8 | W312 Y313 K318 G319 | W312-E316 VanDerWaalsContact NE1-CD 3.26Å; W312-E316 PolarHBondContact NE1-OE1 3.3Å; W312-E316 PolarHBondContact NE1-OE2 2.79Å; W312-E316 WeakPolarHBondContact O-CB 3.35Å; W312-E316 PolarHBondContact O-N 3.29Å; Y313-E316 WeakPolarHBondContact CD1-OE2 3.23Å; E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.05Å; E316-G319 PolarHBondContact O-N 3.18Å |
| 317 | Q | 84 | Confident | 86.7 | Confident | 169 Ų | 169 | 56.1 Ų | 56.1 | 79% | 0.79 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -21.2 | 173.2 | -64.4 | -62.4 | -60.7 | 0 | 0 | 114.7 | Y313 M315 | Y313-Q317 VanDerWaalsContact O-CG 3.27Å; Y313-Q317 WeakPolarHBondContact O-CG 3.27Å; Y313-Q317 PolarHBondContact O-N 2.75Å; M315-Q317 VanDerWaalsContact C-N 3.29Å; M315-Q317 PolarHBondContact O-N 2.82Å |
| 318 | K | 83.2 | Confident | 86.7 | Confident | 87 Ų | 87 | 56 Ų | 56 | 38% | 0.378 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -4.9 | 173.9 | -71 | -168.7 | 173 | -174.3 | 0 | 113.2 | F277 R278 S281 M315 E316 L320 | F277-K318 HydrophobicContact CE1-CD 4.41Å; F277-K318 HydrophobicContact CE2-CD 4.37Å; F277-K318 HydrophobicContact CZ-CD 3.85Å; F277-K318 PolarHBondContact O-NZ 2.87Å; R278-K318 PolarHBondContact O-NZ 3.44Å; S281-K318 WeakPolarHBondContact OG-CD 3.5Å; M315-K318 CarbonylContact O-C 3.47Å; M315-K318 WeakPolarHBondContact O-CA 3.15Å; M315-K318 PolarHBondContact O-N 3.22Å; E316-K318 VanDerWaalsContact C-N 3.28Å; E316-K318 PolarHBondContact O-N 3.05Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 HydrophobicContact CB-CD1 3.65Å; K318-L320 WeakPolarHBondContact O-CD1 3.38Å |
| 319 | G | 81.6 | Confident | 86.7 | Confident | 71 Ų | 71 | 60.3 Ų | 60.3 | 73% | 0.732 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.3 | 17.8 | -173.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | M315 E316 | M315-G319 PolarHBondContact O-N 2.65Å; E316-G319 PolarHBondContact O-N 3.18Å |
| 320 | L | 82.6 | Confident | 86.6 | Confident | 59 Ų | 59 | 60.4 Ų | 60.4 | 31% | 0.309 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -90.6 | 138.8 | 178.1 | -83.5 | 83.2 | 0 | 0 | 0 | 112 | S281 L284 M315 K318 | S281-L320 VanDerWaalsContact O-CD2 3.32Å; S281-L320 WeakPolarHBondContact O-CD2 3.45Å; S281-L320 WeakPolarHBondContact OG-CD1 3.21Å; S281-L320 VanDerWaalsContact OG-CD2 3.32Å; S281-L320 WeakPolarHBondContact OG-CD2 3.05Å; L284-L320 HydrophobicContact CD1-CB 4.41Å; L284-L320 HydrophobicContact CD1-CD2 3.8Å; M315-L320 HydrophobicContact CB-CB 4.45Å; M315-L320 HydrophobicContact CE-CB 4.29Å; M315-L320 PolarHBondContact O-N 3.47Å; K318-L320 VanDerWaalsContact C-N 3.32Å; K318-L320 HydrophobicContact CB-CD1 3.65Å; K318-L320 WeakPolarHBondContact O-CD1 3.38Å |
| 321 | S | 77.6 | Confident | 86.6 | Confident | 88 Ų | 88 | 57.3 Ų | 57.3 | 62% | 0.615 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -97.1 | 158.4 | 171.4 | -169.9 | 0 | 0 | 0 | 0 | 112 | M315 | M315-S321 VanDerWaalsContact CE-C 3.44Å; M315-S321 WeakPolarHBondContact CE-O 3.44Å |
| 322 | F | 78.6 | Confident | 86.9 | Confident | 23 Ų | 23 | 58.7 Ų | 58.7 | 10% | 0.101 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -102.8 | 132.9 | 178.8 | -147.5 | -61.3 | 0 | 0 | 0 | 110.6 | L284 V295 L296 L311 M315 V324 | L284-F322 HydrophobicContact CD2-CE2 4.18Å; V295-F322 HydrophobicContact CG1-CE2 4.01Å; V295-F322 HydrophobicContact CG1-CZ 3.63Å; L296-F322 HydrophobicContact CB-CD1 4.16Å; L296-F322 HydrophobicContact CB-CE1 3.35Å; L296-F322 HydrophobicContact CB-CE2 4.29Å; L296-F322 HydrophobicContact CB-CZ 3.46Å; L296-F322 VanDerWaalsContact CB-CZ 3.46Å; L296-F322 HydrophobicContact CD2-CD1 3.65Å; L296-F322 HydrophobicContact CD2-CE1 3.73Å; L296-F322 HydrophobicContact CD2-CG 4.34Å; L296-F322 HydrophobicContact CD2-CZ 4.42Å; L296-F322 HydrophobicContact CG-CE1 4.16Å; L296-F322 HydrophobicContact CG-CZ 4.49Å; L311-F322 HydrophobicContact CD2-CE2 3.96Å; M315-F322 HydrophobicContact CE-CB 3.81Å; M315-F322 HydrophobicContact CE-CD2 3.63Å; M315-F322 HydrophobicContact CE-CE2 4.49Å; M315-F322 HydrophobicContact CE-CG 4.11Å; M315-F322 HydrophobicContact SD-CD2 3.51Å; M315-F322 VanDerWaalsContact SD-CD2 3.51Å; M315-F322 HydrophobicContact SD-CE2 4.01Å; F322-V324 VanDerWaalsContact C-N 3.27Å; F322-V324 HydrophobicContact CB-CG2 4.41Å; F322-V324 WeakPolarHBondContact O-CG2 3.44Å; F322-V324 PolarHBondContact O-N 3.16Å |
| 323 | D | 85.6 | Confident | 87.1 | Confident | 68 Ų | 68 | 56 Ų | 56 | 36% | 0.364 | 32% | 0.315 | S | S | . | . | trans | -72.4 | 83.3 | 163.9 | -177 | 11.3 | 0 | 0 | 0 | 110.9 | N325 A326 | D323-N325 PolarHBondContact O-N 3.29Å; D323-N325 PolarHBondContact OD1-N 3.19Å; D323-A326 HydrophobicContact CB-CB 4.14Å; D323-A326 VanDerWaalsContact CG-N 3.35Å; D323-A326 VanDerWaalsContact O-CB 3.24Å; D323-A326 WeakPolarHBondContact O-CB 3.43Å; D323-A326 PolarHBondContact O-N 2.9Å; D323-A326 PolarHBondContact OD1-N 3.25Å; D323-A326 WeakPolarHBondContact OD2-CA 3.06Å; D323-A326 VanDerWaalsContact OD2-CB 3.26Å; D323-A326 WeakPolarHBondContact OD2-CB 3.18Å; D323-A326 PolarHBondContact OD2-N 3.08Å | ||
| 324 | V | 87.8 | Confident | 87.4 | Confident | 21 Ų | 21 | 49.6 Ų | 49.6 | 13% | 0.127 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -30.6 | 178.9 | -167.2 | 0 | 0 | 0 | 0 | 111.4 | L296 F322 A326 P334 L350 F354 A356 | L296-V324 HydrophobicContact CD2-CG1 4.47Å; F322-V324 VanDerWaalsContact C-N 3.27Å; F322-V324 HydrophobicContact CB-CG2 4.41Å; F322-V324 WeakPolarHBondContact O-CG2 3.44Å; F322-V324 PolarHBondContact O-N 3.16Å; V324-A326 VanDerWaalsContact C-N 3.34Å; V324-P334 WeakPolarHBondContact O-CD 3.43Å; V324-L350 HydrophobicContact CG1-CD2 3.9Å; V324-F354 HydrophobicContact CG1-CB 3.93Å; V324-F354 HydrophobicContact CG2-CB 3.96Å; V324-A356 HydrophobicContact CG1-CB 3.62Å |
| 325 | N | 88.8 | Confident | 87.7 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 27% | 0.267 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.8 | 5.9 | -177.1 | -74 | -28.3 | 0 | 0 | 0 | 113 | D323 K327 D357 L360 | D323-N325 PolarHBondContact O-N 3.29Å; D323-N325 PolarHBondContact OD1-N 3.19Å; N325-K327 PolarHBondContact O-N 3.22Å; N325-D357 PolarHBondContact ND2-OD2 2.96Å; N325-D357 PolarHBondContact OD1-N 3.1Å; N325-L360 HydrophobicContact CB-CD1 3.92Å |
| 326 | A | 90.1 | Very high | 88.1 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.008 | 28% | 0.277 | C | S | . | . | trans | -47.1 | 125.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | T294 H297 D323 V324 T333 P334 | T294-A326 HydrophobicContact CG2-CB 3.84Å; H297-A326 PolarHBondContact CE1-O 3.3Å; H297-A326 PolarHBondContact NE2-O 2.89Å; D323-A326 HydrophobicContact CB-CB 4.14Å; D323-A326 VanDerWaalsContact CG-N 3.35Å; D323-A326 VanDerWaalsContact O-CB 3.24Å; D323-A326 WeakPolarHBondContact O-CB 3.43Å; D323-A326 PolarHBondContact O-N 2.9Å; D323-A326 PolarHBondContact OD1-N 3.25Å; D323-A326 WeakPolarHBondContact OD2-CA 3.06Å; D323-A326 VanDerWaalsContact OD2-CB 3.26Å; D323-A326 WeakPolarHBondContact OD2-CB 3.18Å; D323-A326 PolarHBondContact OD2-N 3.08Å; V324-A326 VanDerWaalsContact C-N 3.34Å; A326-T333 WeakPolarHBondContact O-CA 3.4Å; A326-P334 WeakPolarHBondContact O-CD 3.43Å | ||
| 327 | K | 91.3 | Very high | 88.4 | Confident | 89 Ų | 89 | 44.2 Ų | 44.2 | 39% | 0.387 | 26% | 0.257 | S | S | . | . | trans | -93.2 | 133 | 172.4 | -65.2 | -172.7 | -177.4 | -172.4 | 0 | 111.5 | K287 N325 T333 | K287-K327 PolarHBondContact NZ-O 3.26Å; N325-K327 PolarHBondContact O-N 3.22Å; K327-T333 HydrophobicContact CG-CG2 4.04Å | ||
| 328 | S | 91.9 | Very high | 88.8 | Confident | 10 Ų | 10 | 36.1 Ų | 36.1 | 7% | 0.07 | 22% | 0.219 | C | C | . | . | trans | -70.8 | 177 | 166.1 | 58.4 | 0 | 0 | 0 | 0 | 112.8 | S291 G292 A330 G331 Q332 | S291-S328 WeakPolarHBondContact O-CB 3.44Å; G292-S328 WeakPolarHBondContact O-CA 3.5Å; S328-A330 PolarHBondContact O-N 3.47Å; S328-G331 WeakPolarHBondContact O-CA 3.3Å; S328-G331 PolarHBondContact O-N 2.9Å; S328-Q332 WeakPolarHBondContact CB-O 3.4Å; S328-Q332 PolarHBondContact N-O 2.91Å; S328-Q332 WeakPolarHBondContact OG-CB 3.36Å; S328-Q332 PolarHBondContact OG-N 2.93Å; S328-Q332 VanDerWaalsContact OG-N 3.13Å; S328-Q332 PolarHBondContact OG-O 2.91Å | ||
| 329 | T | 91.4 | Very high | 89.3 | Confident | 99 Ų | 99 | 32 Ų | 32 | 61% | 0.607 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -28.9 | 174.7 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | S291 G331 | S291-T329 VanDerWaalsContact C-OG1 3.27Å; S291-T329 PolarHBondContact O-N 3.09Å; S291-T329 PolarHBondContact O-OG1 3.05Å; S291-T329 VanDerWaalsContact O-OG1 3.05Å; T329-G331 PolarHBondContact O-N 3.33Å |
| 330 | A | 88.5 | Confident | 89.8 | Confident | 37 Ų | 37 | 31.6 Ų | 31.6 | 31% | 0.306 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 2.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | S328 Q332 T363 | S328-A330 PolarHBondContact O-N 3.47Å; A330-Q332 HydrophobicContact CB-CG 4.15Å; A330-Q332 PolarHBondContact O-N 3.08Å; A330-Q332 VanDerWaalsContact O-N 3.11Å; A330-T363 WeakPolarHBondContact O-CB 3.37Å; A330-T363 VanDerWaalsContact O-CG2 3.31Å; A330-T363 WeakPolarHBondContact O-CG2 3.17Å; A330-T363 PolarHBondContact O-N 3.09Å; A330-T363 VanDerWaalsContact O-N 3.15Å; A330-T363 PolarHBondContact O-OG1 3.33Å |
| 331 | G | 91.2 | Very high | 90.2 | Very high | 11 Ų | 11 | 33.3 Ų | 33.3 | 11% | 0.113 | 19% | 0.188 | C | C | . | . | S | Bend | trans | 70.1 | -3.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | S328 T329 | S328-G331 WeakPolarHBondContact O-CA 3.3Å; S328-G331 PolarHBondContact O-N 2.9Å; T329-G331 PolarHBondContact O-N 3.33Å |
| 332 | Q | 93 | Very high | 90.8 | Very high | 31 Ų | 31 | 31 Ų | 31 | 15% | 0.145 | 18% | 0.178 | C | C | . | . | trans | -67.6 | 140.4 | 176.2 | -66.9 | 176.6 | -15.3 | 0 | 0 | 109.8 | H297 S328 A330 H336 I337 D362 | H297-Q332 PolarHBondContact NE2-O 2.94Å; H297-Q332 VanDerWaalsContact NE2-O 3.17Å; S328-Q332 WeakPolarHBondContact CB-O 3.4Å; S328-Q332 PolarHBondContact N-O 2.91Å; S328-Q332 WeakPolarHBondContact OG-CB 3.36Å; S328-Q332 PolarHBondContact OG-N 2.93Å; S328-Q332 VanDerWaalsContact OG-N 3.13Å; S328-Q332 PolarHBondContact OG-O 2.91Å; A330-Q332 HydrophobicContact CB-CG 4.15Å; A330-Q332 PolarHBondContact O-N 3.08Å; A330-Q332 VanDerWaalsContact O-N 3.11Å; Q332-H336 HydrophobicContact CB-CB 3.93Å; Q332-H336 HydrophobicContact CG-CB 4.22Å; Q332-I337 HydrophobicContact CB-CD1 4.26Å; Q332-D362 HydrophobicContact CG-CB 3.68Å | ||
| 333 | T | 94.1 | Very high | 91.5 | Very high | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.018 | 18% | 0.184 | C | C | . | . | trans | -94.7 | 168.3 | 170.9 | 64.7 | 0 | 0 | 0 | 0 | 110.5 | A326 K327 L335 H336 I337 L360 | A326-T333 WeakPolarHBondContact O-CA 3.4Å; K327-T333 HydrophobicContact CG-CG2 4.04Å; T333-L335 PolarHBondContact O-N 2.72Å; T333-L335 VanDerWaalsContact O-N 3.1Å; T333-H336 WeakPolarHBondContact O-CA 3.47Å; T333-H336 WeakPolarHBondContact O-CB 3.39Å; T333-H336 PolarHBondContact O-N 2.74Å; T333-H336 PolarHBondContact OG1-ND1 3.39Å; T333-I337 PolarHBondContact O-N 3.04Å; T333-L360 HydrophobicContact CG2-CB 4.43Å; T333-L360 HydrophobicContact CG2-CD1 3.87Å | ||
| 334 | P | 93.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -54.7 | -31.4 | 175.2 | -26.3 | 34.8 | 0 | 0 | 0 | 113.5 | L296 A300 V324 A326 H336 I337 A338 L350 | L296-P334 HydrophobicContact CB-CG 4.21Å; L296-P334 HydrophobicContact CD2-CB 4.2Å; L296-P334 HydrophobicContact CD2-CG 3.88Å; L296-P334 HydrophobicContact CG-CB 3.77Å; L296-P334 HydrophobicContact CG-CG 3.72Å; A300-P334 HydrophobicContact CB-CB 4.03Å; A300-P334 WeakPolarHBondContact CB-O 3.32Å; V324-P334 WeakPolarHBondContact O-CD 3.43Å; A326-P334 WeakPolarHBondContact O-CD 3.43Å; P334-H336 VanDerWaalsContact C-N 3.33Å; P334-H336 PolarHBondContact O-N 3.27Å; P334-I337 PolarHBondContact O-N 3.13Å; P334-A338 WeakPolarHBondContact O-CB 3.37Å; P334-A338 PolarHBondContact O-N 3.23Å; P334-L350 HydrophobicContact CB-CD1 4.33Å |
| 335 | L | 93.9 | Very high | 92 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.4 | -35.5 | 175.5 | -164.8 | 65.9 | 0 | 0 | 0 | 112.6 | T333 A339 I347 L350 V351 A356 V358 A368 L383 | T333-L335 PolarHBondContact O-N 2.72Å; T333-L335 VanDerWaalsContact O-N 3.1Å; L335-A339 WeakPolarHBondContact O-CB 3.26Å; L335-A339 PolarHBondContact O-N 3.1Å; L335-A339 VanDerWaalsContact O-N 3.08Å; L335-I347 HydrophobicContact CD1-CG2 4.19Å; L335-L350 HydrophobicContact CB-CD1 4.26Å; L335-L350 HydrophobicContact CD1-CB 3.81Å; L335-L350 HydrophobicContact CD1-CD1 3.83Å; L335-L350 HydrophobicContact CD1-CG 4.5Å; L335-V351 HydrophobicContact CD1-CG2 4.1Å; L335-A356 HydrophobicContact CD2-CB 4.33Å; L335-V358 HydrophobicContact CD2-CG2 4.18Å; L335-A368 HydrophobicContact CD2-CB 4.33Å; L335-A368 HydrophobicContact CG-CB 4.05Å; L335-L383 HydrophobicContact CD1-CD2 4.03Å; L335-L383 HydrophobicContact CD2-CD2 3.79Å; L335-L383 HydrophobicContact CG-CD2 4.06Å |
| 336 | H | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68.6 | -43.3 | 173.1 | -69.3 | 74.7 | 0 | 0 | 0 | 110.9 | Q332 T333 P334 A339 I340 L360 K366 A368 | Q332-H336 HydrophobicContact CB-CB 3.93Å; Q332-H336 HydrophobicContact CG-CB 4.22Å; T333-H336 WeakPolarHBondContact O-CA 3.47Å; T333-H336 WeakPolarHBondContact O-CB 3.39Å; T333-H336 PolarHBondContact O-N 2.74Å; T333-H336 PolarHBondContact OG1-ND1 3.39Å; P334-H336 VanDerWaalsContact C-N 3.33Å; P334-H336 PolarHBondContact O-N 3.27Å; H336-A339 PolarHBondContact O-N 3.39Å; H336-I340 WeakPolarHBondContact O-CB 3.48Å; H336-I340 WeakPolarHBondContact O-CD1 3.46Å; H336-I340 VanDerWaalsContact O-CG1 3.23Å; H336-I340 WeakPolarHBondContact O-CG1 3.39Å; H336-I340 PolarHBondContact O-N 3.4Å; H336-L360 PolarHBondContact CE1-O 3.08Å; H336-K366 PolarHBondContact NE2-O 2.92Å; H336-A368 PolarHBondContact NE2-N 2.98Å; H336-A368 VanDerWaalsContact NE2-N 3.2Å |
| 337 | I | 93.8 | Very high | 92.3 | Very high | 7 Ų | 7 | 33.3 Ų | 33.3 | 4% | 0.036 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 176.6 | -53.9 | -56.2 | 0 | 0 | 0 | 110.7 | F293 A300 K301 Q332 T333 P334 A339 I340 H341 | F293-I337 HydrophobicContact CE1-CD1 4.12Å; F293-I337 HydrophobicContact CZ-CD1 3.76Å; F293-I337 HydrophobicContact CZ-CG1 4.41Å; A300-I337 HydrophobicContact CB-CB 4.14Å; A300-I337 HydrophobicContact CB-CG2 4.25Å; K301-I337 HydrophobicContact CB-CG2 3.87Å; Q332-I337 HydrophobicContact CB-CD1 4.26Å; T333-I337 PolarHBondContact O-N 3.04Å; P334-I337 PolarHBondContact O-N 3.13Å; I337-A339 VanDerWaalsContact C-N 3.29Å; I337-A339 PolarHBondContact O-N 3.19Å; I337-I340 PolarHBondContact O-N 3.35Å; I337-H341 PolarHBondContact O-CD2 3.37Å; I337-H341 PolarHBondContact O-N 3.33Å |
| 338 | A | 93.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61 | -37.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A300 P334 G342 H343 I346 I347 L350 | A300-A338 HydrophobicContact CB-CB 4.2Å; P334-A338 WeakPolarHBondContact O-CB 3.37Å; P334-A338 PolarHBondContact O-N 3.23Å; A338-G342 PolarHBondContact O-N 3.15Å; A338-H343 HydrophobicContact CB-CB 4.49Å; A338-H343 PolarHBondContact O-N 2.83Å; A338-I346 HydrophobicContact CB-CB 4.31Å; A338-I346 HydrophobicContact CB-CG2 3.86Å; A338-I347 HydrophobicContact CB-CG1 3.77Å; A338-L350 HydrophobicContact CB-CD1 4.44Å |
| 339 | A | 92.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -69.9 | -43 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | L335 H336 I337 H341 G342 I347 A368 L372 | L335-A339 WeakPolarHBondContact O-CB 3.26Å; L335-A339 PolarHBondContact O-N 3.1Å; L335-A339 VanDerWaalsContact O-N 3.08Å; H336-A339 PolarHBondContact O-N 3.39Å; I337-A339 VanDerWaalsContact C-N 3.29Å; I337-A339 PolarHBondContact O-N 3.19Å; A339-H341 VanDerWaalsContact C-N 3.28Å; A339-H341 PolarHBondContact O-N 3.03Å; A339-G342 PolarHBondContact O-N 3.11Å; A339-G342 VanDerWaalsContact O-N 3.09Å; A339-I347 HydrophobicContact CB-CD1 4.42Å; A339-A368 HydrophobicContact CB-CB 4.3Å; A339-A368 WeakPolarHBondContact CB-O 3.16Å; A339-L372 HydrophobicContact CB-CD2 4.1Å |
| 340 | I | 91.8 | Very high | 92.4 | Very high | 63 Ų | 63 | 30.5 Ų | 30.5 | 32% | 0.323 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.5 | -41.4 | 175.6 | -72.1 | 161.9 | 0 | 0 | 0 | 111.4 | H336 I337 Y371 | H336-I340 WeakPolarHBondContact O-CB 3.48Å; H336-I340 WeakPolarHBondContact O-CD1 3.46Å; H336-I340 VanDerWaalsContact O-CG1 3.23Å; H336-I340 WeakPolarHBondContact O-CG1 3.39Å; H336-I340 PolarHBondContact O-N 3.4Å; I337-I340 PolarHBondContact O-N 3.35Å; I340-Y371 HydrophobicContact CD1-CD1 4.09Å; I340-Y371 HydrophobicContact CD1-CE1 4.23Å; I340-Y371 HydrophobicContact CD1-CG 4.31Å; I340-Y371 HydrophobicContact CG1-CD1 3.44Å; I340-Y371 VanDerWaalsContact CG1-CD1 3.44Å; I340-Y371 HydrophobicContact CG1-CD2 4.36Å; I340-Y371 HydrophobicContact CG1-CE1 4.06Å; I340-Y371 HydrophobicContact CG1-CG 3.59Å |
| 341 | H | 91.1 | Very high | 92.5 | Very high | 94 Ų | 94 | 30.2 Ų | 30.2 | 44% | 0.435 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -3.1 | 178.4 | -74.4 | -84.6 | 0 | 0 | 0 | 114.1 | I337 A339 H343 | I337-H341 PolarHBondContact O-CD2 3.37Å; I337-H341 PolarHBondContact O-N 3.33Å; A339-H341 VanDerWaalsContact C-N 3.28Å; A339-H341 PolarHBondContact O-N 3.03Å; H341-H343 VanDerWaalsContact C-N 3.31Å; H341-H343 WeakPolarHBondContact CB-CD2 3.32Å; H341-H343 PolarHBondContact O-N 2.84Å |
| 342 | G | 90.8 | Very high | 92.4 | Very high | 39 Ų | 39 | 37.1 Ų | 37.1 | 40% | 0.402 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 20.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | A338 A339 K344 | A338-G342 PolarHBondContact O-N 3.15Å; A339-G342 PolarHBondContact O-N 3.11Å; A339-G342 VanDerWaalsContact O-N 3.09Å; G342-K344 VanDerWaalsContact C-N 3.28Å; G342-K344 WeakPolarHBondContact O-CG 3.49Å; G342-K344 PolarHBondContact O-N 2.93Å |
| 343 | H | 93 | Very high | 92.2 | Very high | 49 Ų | 49 | 39 Ų | 39 | 23% | 0.227 | 19% | 0.191 | C | C | . | . | trans | -77.2 | 71.3 | -172.8 | -73.2 | -47.3 | 0 | 0 | 0 | 113.1 | A300 K301 H302 G303 A338 H341 N345 I346 I347 | A300-H343 PolarHBondContact O-CD2 2.8Å; K301-H343 PolarHBondContact O-CD2 3.03Å; K301-H343 PolarHBondContact O-NE2 3.19Å; H302-H343 PolarHBondContact O-CE1 3.4Å; H302-H343 PolarHBondContact O-NE2 3.34Å; G303-H343 VanDerWaalsContact CA-CD2 3.49Å; G303-H343 WeakPolarHBondContact CA-CD2 3.48Å; G303-H343 VanDerWaalsContact CA-CE1 3.44Å; G303-H343 WeakPolarHBondContact CA-CE1 3.24Å; G303-H343 WeakPolarHBondContact CA-ND1 3.41Å; G303-H343 WeakPolarHBondContact CA-NE2 3.42Å; G303-H343 PolarHBondContact N-NE2 2.93Å; A338-H343 HydrophobicContact CB-CB 4.49Å; A338-H343 PolarHBondContact O-N 2.83Å; H341-H343 VanDerWaalsContact C-N 3.31Å; H341-H343 WeakPolarHBondContact CB-CD2 3.32Å; H341-H343 PolarHBondContact O-N 2.84Å; H343-N345 PolarHBondContact O-N 2.89Å; H343-I346 HydrophobicContact CB-CB 4.33Å; H343-I346 PolarHBondContact O-N 3.03Å; H343-I347 PolarHBondContact O-N 3.28Å; H343-I347 VanDerWaalsContact O-N 3.13Å | ||
| 344 | K | 91.6 | Very high | 91.7 | Very high | 84 Ų | 84 | 39.9 Ų | 39.9 | 37% | 0.365 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -41.4 | -44.3 | -177.5 | -58.9 | -168.8 | 173.7 | -179.8 | 0 | 114.3 | G342 R348 D374 I379 | G342-K344 VanDerWaalsContact C-N 3.28Å; G342-K344 WeakPolarHBondContact O-CG 3.49Å; G342-K344 PolarHBondContact O-N 2.93Å; K344-R348 WeakPolarHBondContact O-CG 3.32Å; K344-R348 PolarHBondContact O-N 3.31Å; K344-R348 VanDerWaalsContact O-N 3.1Å; K344-D374 VanDerWaalsContact CE-OD2 3.25Å; K344-D374 WeakPolarHBondContact CE-OD2 3.34Å; K344-D374 IonicContact NZ-OD2 2.6Å; K344-D374 PolarHBondContact NZ-OD2 3.15Å; K344-I379 HydrophobicContact CB-CD1 3.45Å; K344-I379 VanDerWaalsContact CB-CD1 3.45Å; K344-I379 HydrophobicContact CD-CD1 3.53Å; K344-I379 HydrophobicContact CG-CD1 3.35Å |
| 345 | N | 92.5 | Very high | 91.4 | Very high | 80 Ų | 80 | 44.6 Ų | 44.6 | 43% | 0.428 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -72.5 | -34.8 | -177 | -67.1 | -4.7 | 0 | 0 | 0 | 112.9 | H305 H343 L349 | H305-N345 HydrophobicContact CB-CB 3.76Å; H343-N345 PolarHBondContact O-N 2.89Å; N345-L349 WeakPolarHBondContact O-CG 3.38Å; N345-L349 PolarHBondContact O-N 3.19Å |
| 346 | I | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.9 | -42.5 | 174.7 | -68.6 | -172 | 0 | 0 | 0 | 110.3 | I299 A300 G303 H305 A338 H343 R348 L349 L350 | I299-I346 HydrophobicContact CG2-CD1 4.09Å; I299-I346 WeakPolarHBondContact O-CD1 3.43Å; A300-I346 HydrophobicContact CB-CG2 4.32Å; G303-I346 VanDerWaalsContact C-CD1 3.46Å; H305-I346 HydrophobicContact CB-CG1 4.01Å; A338-I346 HydrophobicContact CB-CB 4.31Å; A338-I346 HydrophobicContact CB-CG2 3.86Å; H343-I346 HydrophobicContact CB-CB 4.33Å; H343-I346 PolarHBondContact O-N 3.03Å; I346-R348 VanDerWaalsContact C-N 3.32Å; I346-R348 PolarHBondContact O-N 3.02Å; I346-L349 PolarHBondContact O-N 3.05Å; I346-L349 VanDerWaalsContact O-N 3.15Å; I346-L350 HydrophobicContact CG2-CD1 3.68Å; I346-L350 HydrophobicContact CG2-CG 3.98Å; I346-L350 WeakPolarHBondContact O-CB 3.43Å; I346-L350 WeakPolarHBondContact O-CG 3.38Å; I346-L350 PolarHBondContact O-N 3.35Å |
| 347 | I | 92.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.9 | -48.7 | 175.9 | -61 | 169.6 | 0 | 0 | 0 | 110.4 | L335 A338 A339 H343 L349 L350 V351 L372 I379 L383 | L335-I347 HydrophobicContact CD1-CG2 4.19Å; A338-I347 HydrophobicContact CB-CG1 3.77Å; A339-I347 HydrophobicContact CB-CD1 4.42Å; H343-I347 PolarHBondContact O-N 3.28Å; H343-I347 VanDerWaalsContact O-N 3.13Å; I347-L349 VanDerWaalsContact C-N 3.32Å; I347-L349 PolarHBondContact O-N 3.11Å; I347-L350 PolarHBondContact O-N 2.91Å; I347-V351 WeakPolarHBondContact O-CG2 3.47Å; I347-V351 PolarHBondContact O-N 2.73Å; I347-L372 HydrophobicContact CD1-CD2 4Å; I347-I379 HydrophobicContact CB-CG2 4.48Å; I347-I379 HydrophobicContact CD1-CG2 4Å; I347-I379 HydrophobicContact CG2-CG2 3.94Å; I347-L383 HydrophobicContact CD1-CD1 4.49Å; I347-L383 HydrophobicContact CG2-CD1 3.79Å; I347-L383 HydrophobicContact CG2-CD2 3.96Å; I347-L383 HydrophobicContact CG2-CG 3.93Å |
| 348 | R | 91.9 | Very high | 90.7 | Very high | 102 Ų | 102 | 49 Ų | 49 | 39% | 0.385 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -59.7 | -38 | 177.9 | -76.2 | 174.4 | 169.6 | -176.8 | -4.1 | 112.9 | K344 I346 K352 D378 L382 | K344-R348 WeakPolarHBondContact O-CG 3.32Å; K344-R348 PolarHBondContact O-N 3.31Å; K344-R348 VanDerWaalsContact O-N 3.1Å; I346-R348 VanDerWaalsContact C-N 3.32Å; I346-R348 PolarHBondContact O-N 3.02Å; R348-K352 VanDerWaalsContact O-CB 3.24Å; R348-K352 WeakPolarHBondContact O-CB 3.43Å; R348-K352 WeakPolarHBondContact O-CG 3.48Å; R348-K352 PolarHBondContact O-N 3.03Å; R348-D378 IonicContact CZ-OD2 2.91Å; R348-D378 IonicContact NH2-OD2 2.72Å; R348-D378 PolarHBondContact NH2-OD2 3.09Å; R348-L382 HydrophobicContact CG-CD1 3.99Å |
| 349 | L | 92.3 | Very high | 90.4 | Very high | 36 Ų | 36 | 55.3 Ų | 55.3 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -72.9 | -44.8 | 175.7 | -71.2 | 171.6 | 0 | 0 | 0 | 112.8 | H305 I308 N309 N345 I346 I347 V351 K353 F354 | H305-L349 HydrophobicContact CB-CD1 3.82Å; H305-L349 WeakPolarHBondContact O-CD1 3.43Å; I308-L349 HydrophobicContact CG2-CD1 3.58Å; N309-L349 VanDerWaalsContact ND2-CD1 3.31Å; N309-L349 WeakPolarHBondContact ND2-CD1 3.47Å; N345-L349 WeakPolarHBondContact O-CG 3.38Å; N345-L349 PolarHBondContact O-N 3.19Å; I346-L349 PolarHBondContact O-N 3.05Å; I346-L349 VanDerWaalsContact O-N 3.15Å; I347-L349 VanDerWaalsContact C-N 3.32Å; I347-L349 PolarHBondContact O-N 3.11Å; L349-V351 VanDerWaalsContact C-N 3.32Å; L349-V351 PolarHBondContact O-N 3.12Å; L349-K353 WeakPolarHBondContact O-CA 3.31Å; L349-K353 WeakPolarHBondContact O-CB 3.46Å; L349-K353 PolarHBondContact O-N 3.23Å; L349-F354 HydrophobicContact CB-CE2 4.2Å; L349-F354 WeakPolarHBondContact O-CD2 3.49Å; L349-F354 PolarHBondContact O-N 3.13Å |
| 350 | L | 91.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.5 | -44.1 | 178.3 | -74.9 | 175 | 0 | 0 | 0 | 111.8 | L296 I308 V324 P334 L335 A338 I346 I347 F354 S355 A356 | L296-L350 HydrophobicContact CD1-CD2 4.26Å; L296-L350 HydrophobicContact CD2-CD2 4.16Å; I308-L350 HydrophobicContact CD1-CD2 3.99Å; I308-L350 HydrophobicContact CD1-CG 4.49Å; V324-L350 HydrophobicContact CG1-CD2 3.9Å; P334-L350 HydrophobicContact CB-CD1 4.33Å; L335-L350 HydrophobicContact CB-CD1 4.26Å; L335-L350 HydrophobicContact CD1-CB 3.81Å; L335-L350 HydrophobicContact CD1-CD1 3.83Å; L335-L350 HydrophobicContact CD1-CG 4.5Å; A338-L350 HydrophobicContact CB-CD1 4.44Å; I346-L350 HydrophobicContact CG2-CD1 3.68Å; I346-L350 HydrophobicContact CG2-CG 3.98Å; I346-L350 WeakPolarHBondContact O-CB 3.43Å; I346-L350 WeakPolarHBondContact O-CG 3.38Å; I346-L350 PolarHBondContact O-N 3.35Å; I347-L350 PolarHBondContact O-N 2.91Å; L350-F354 HydrophobicContact CD2-CD2 4.34Å; L350-F354 CarbonylContact O-C 3.6Å; L350-F354 VanDerWaalsContact O-C 3.28Å; L350-F354 PolarHBondContact O-N 3.15Å; L350-S355 PolarHBondContact O-N 3.31Å; L350-S355 VanDerWaalsContact O-N 3.13Å; L350-A356 HydrophobicContact CB-CB 4.06Å; L350-A356 WeakPolarHBondContact O-CB 3.44Å; L350-A356 PolarHBondContact O-N 3.44Å |
| 351 | V | 91.1 | Very high | 90.2 | Very high | 30 Ų | 30 | 61.6 Ų | 61.6 | 18% | 0.182 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76 | -49.4 | 178.4 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | L335 I347 L349 S355 V358 L383 | L335-V351 HydrophobicContact CD1-CG2 4.1Å; I347-V351 WeakPolarHBondContact O-CG2 3.47Å; I347-V351 PolarHBondContact O-N 2.73Å; L349-V351 VanDerWaalsContact C-N 3.32Å; L349-V351 PolarHBondContact O-N 3.12Å; V351-S355 PolarHBondContact O-N 3.2Å; V351-V358 HydrophobicContact CG1-CG2 4.5Å; V351-V358 HydrophobicContact CG2-CG2 4.03Å; V351-L383 HydrophobicContact CG2-CD2 3.89Å |
| 352 | K | 89.1 | Confident | 90.3 | Very high | 156 Ų | 156 | 57.7 Ų | 57.7 | 68% | 0.678 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -84 | -27.8 | -170.3 | -63.8 | -166.4 | 173.7 | -164 | 0 | 116 | R348 | R348-K352 VanDerWaalsContact O-CB 3.24Å; R348-K352 WeakPolarHBondContact O-CB 3.43Å; R348-K352 WeakPolarHBondContact O-CG 3.48Å; R348-K352 PolarHBondContact O-N 3.03Å |
| 353 | K | 87.8 | Confident | 90.3 | Very high | 71 Ų | 71 | 61.1 Ų | 61.1 | 31% | 0.309 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -30.1 | -177.4 | -175.1 | 174.7 | 170.8 | 174.8 | 0 | 112.7 | N309 L349 | N309-K353 PolarHBondContact OD1-NZ 2.97Å; L349-K353 WeakPolarHBondContact O-CA 3.31Å; L349-K353 WeakPolarHBondContact O-CB 3.46Å; L349-K353 PolarHBondContact O-N 3.23Å |
| 354 | F | 84.5 | Confident | 90.1 | Very high | 22 Ų | 22 | 62 Ų | 62 | 10% | 0.096 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -115.1 | 6.5 | -173.8 | -51.8 | -55.9 | 0 | 0 | 0 | 113.7 | I308 W312 V324 L349 L350 A356 | I308-F354 HydrophobicContact CD1-CD2 3.83Å; I308-F354 HydrophobicContact CD1-CE2 3.46Å; I308-F354 VanDerWaalsContact CD1-CE2 3.46Å; I308-F354 HydrophobicContact CD1-CZ 4.4Å; I308-F354 HydrophobicContact CG1-CD2 4.41Å; I308-F354 HydrophobicContact CG1-CE2 3.63Å; I308-F354 HydrophobicContact CG1-CZ 4.12Å; I308-F354 HydrophobicContact CG2-CE2 4.47Å; W312-F354 HydrophobicContact CB-CE1 4.16Å; W312-F354 HydrophobicContact CB-CZ 4.18Å; W312-F354 HydrophobicContact CD2-CD1 4.25Å; W312-F354 AromaticContact CD2-CE1 3.46Å; W312-F354 HydrophobicContact CD2-CE1 3.46Å; W312-F354 VanDerWaalsContact CD2-CE1 3.46Å; W312-F354 HydrophobicContact CD2-CZ 4.34Å; W312-F354 AromaticContact CE3-CD1 3.76Å; W312-F354 HydrophobicContact CE3-CD1 3.76Å; W312-F354 AromaticContact CE3-CE1 3.32Å; W312-F354 HydrophobicContact CE3-CE1 3.32Å; W312-F354 HydrophobicContact CE3-CZ 4.32Å; W312-F354 AromaticContact CG-CE1 3.83Å; W312-F354 HydrophobicContact CG-CE1 3.83Å; W312-F354 HydrophobicContact CG-CZ 4.28Å; W312-F354 HydrophobicContact CH2-CD1 4.39Å; W312-F354 HydrophobicContact CH2-CE1 4.49Å; W312-F354 AromaticContact CZ3-CD1 3.83Å; W312-F354 HydrophobicContact CZ3-CD1 3.83Å; W312-F354 AromaticContact CZ3-CE1 3.88Å; W312-F354 HydrophobicContact CZ3-CE1 3.88Å; V324-F354 HydrophobicContact CG1-CB 3.93Å; V324-F354 HydrophobicContact CG2-CB 3.96Å; L349-F354 HydrophobicContact CB-CE2 4.2Å; L349-F354 WeakPolarHBondContact O-CD2 3.49Å; L349-F354 PolarHBondContact O-N 3.13Å; L350-F354 HydrophobicContact CD2-CD2 4.34Å; L350-F354 CarbonylContact O-C 3.6Å; L350-F354 VanDerWaalsContact O-C 3.28Å; L350-F354 PolarHBondContact O-N 3.15Å; F354-A356 PolarHBondContact O-N 2.9Å |
| 355 | S | 86.4 | Confident | 90.1 | Very high | 98 Ų | 98 | 59.6 Ų | 59.6 | 69% | 0.685 | 31% | 0.313 | S | S | * | . | trans | 47.6 | 37.4 | 174.4 | -56.5 | 0 | 0 | 0 | 0 | 114.8 | L350 V351 | L350-S355 PolarHBondContact O-N 3.31Å; L350-S355 VanDerWaalsContact O-N 3.13Å; V351-S355 PolarHBondContact O-N 3.2Å | ||
| 356 | A | 88.7 | Confident | 90 | Very high | 8 Ų | 8 | 59.9 Ų | 59.9 | 7% | 0.066 | 31% | 0.31 | C | S | . | . | trans | -60.5 | 136.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | V324 L335 L350 F354 V358 | V324-A356 HydrophobicContact CG1-CB 3.62Å; L335-A356 HydrophobicContact CD2-CB 4.33Å; L350-A356 HydrophobicContact CB-CB 4.06Å; L350-A356 WeakPolarHBondContact O-CB 3.44Å; L350-A356 PolarHBondContact O-N 3.44Å; F354-A356 PolarHBondContact O-N 2.9Å; A356-V358 PolarHBondContact O-N 3.17Å | ||
| 357 | D | 88.7 | Confident | 89.9 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 43% | 0.428 | 32% | 0.32 | S | S | . | . | trans | -72.9 | 91.9 | -176.7 | -84.1 | -65.8 | 0 | 0 | 0 | 112.9 | N325 K359 L360 | N325-D357 PolarHBondContact ND2-OD2 2.96Å; N325-D357 PolarHBondContact OD1-N 3.1Å; D357-K359 PolarHBondContact O-N 2.87Å; D357-L360 HydrophobicContact CB-CD1 3.71Å; D357-L360 HydrophobicContact CB-CG 3.68Å; D357-L360 WeakPolarHBondContact O-CB 3.5Å; D357-L360 PolarHBondContact O-N 3.24Å; D357-L360 VanDerWaalsContact O-N 3.09Å | ||
| 358 | V | 89.1 | Confident | 89.8 | Confident | 16 Ų | 16 | 62.2 Ų | 62.2 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51 | -27.6 | 170.7 | 179.5 | 0 | 0 | 0 | 0 | 112.8 | L335 V351 A356 L383 | L335-V358 HydrophobicContact CD2-CG2 4.18Å; V351-V358 HydrophobicContact CG1-CG2 4.5Å; V351-V358 HydrophobicContact CG2-CG2 4.03Å; A356-V358 PolarHBondContact O-N 3.17Å; V358-L383 VanDerWaalsContact CG1-C 3.42Å; V358-L383 HydrophobicContact CG1-CB 4.27Å; V358-L383 HydrophobicContact CG1-CD2 4.2Å; V358-L383 WeakPolarHBondContact CG1-O 2.93Å; V358-L383 HydrophobicContact CG2-CD2 4.01Å |
| 359 | K | 87.8 | Confident | 89.7 | Confident | 133 Ų | 133 | 61.9 Ų | 61.9 | 58% | 0.578 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -15.7 | -176.4 | -73.2 | 163.3 | -179.5 | 154.6 | 0 | 113.7 | D357 A385 | D357-K359 PolarHBondContact O-N 2.87Å; K359-A385 WeakPolarHBondContact CE-O 3.11Å; K359-A385 PolarHBondContact NZ-O 2.67Å |
| 360 | L | 89.9 | Confident | 89.6 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 23% | 0.225 | 33% | 0.331 | C | S | . | . | trans | -63.3 | 149.1 | 177.3 | -71.6 | 173 | 0 | 0 | 0 | 112.1 | N325 T333 H336 D357 | N325-L360 HydrophobicContact CB-CD1 3.92Å; T333-L360 HydrophobicContact CG2-CB 4.43Å; T333-L360 HydrophobicContact CG2-CD1 3.87Å; H336-L360 PolarHBondContact CE1-O 3.08Å; D357-L360 HydrophobicContact CB-CD1 3.71Å; D357-L360 HydrophobicContact CB-CG 3.68Å; D357-L360 WeakPolarHBondContact O-CB 3.5Å; D357-L360 PolarHBondContact O-N 3.24Å; D357-L360 VanDerWaalsContact O-N 3.09Å | ||
| 361 | R | 90.8 | Very high | 89.5 | Confident | 152 Ų | 152 | 67.1 Ų | 67.1 | 57% | 0.574 | 34% | 0.341 | S | S | * | . | trans | -118.8 | 151.2 | 175.7 | -59.1 | 175.2 | -173.7 | -135.6 | 15.6 | 111.5 | G365 K366 K367 | R361-G365 WeakPolarHBondContact CD-O 3.17Å; R361-G365 PolarHBondContact NH1-O 3.5Å; R361-G365 VanDerWaalsContact NH1-O 3.15Å; R361-K366 WeakPolarHBondContact CA-O 3.12Å; R361-K366 WeakPolarHBondContact CB-O 3.47Å; R361-K367 HydrophobicContact CG-CG 4.29Å | ||
| 362 | D | 92.1 | Very high | 89.3 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 6% | 0.064 | 34% | 0.34 | C | S | . | . | trans | -81.3 | -178.6 | 170.4 | 72.8 | 3 | 0 | 0 | 0 | 113.1 | Q332 A364 G365 K366 Y371 | Q332-D362 HydrophobicContact CG-CB 3.68Å; D362-A364 PolarHBondContact O-N 2.87Å; D362-A364 WeakPolarHBondContact OD1-CA 3.45Å; D362-A364 WeakPolarHBondContact OD1-CB 3.43Å; D362-A364 PolarHBondContact OD1-N 3.04Å; D362-G365 PolarHBondContact O-N 3.25Å; D362-G365 PolarHBondContact OD1-N 3.38Å; D362-G365 VanDerWaalsContact OD1-N 3.1Å; D362-K366 PolarHBondContact N-O 3.02Å; D362-K366 PolarHBondContact OD1-N 3.3Å; D362-Y371 PolarHBondContact OD2-OH 3.39Å; D362-Y371 VanDerWaalsContact OD2-OH 3.05Å | ||
| 363 | T | 92.7 | Very high | 88.6 | Confident | 111 Ų | 111 | 65.6 Ų | 65.6 | 68% | 0.681 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.1 | 176.6 | 52 | 0 | 0 | 0 | 0 | 114.2 | A330 G365 | A330-T363 WeakPolarHBondContact O-CB 3.37Å; A330-T363 VanDerWaalsContact O-CG2 3.31Å; A330-T363 WeakPolarHBondContact O-CG2 3.17Å; A330-T363 PolarHBondContact O-N 3.09Å; A330-T363 VanDerWaalsContact O-N 3.15Å; A330-T363 PolarHBondContact O-OG1 3.33Å; T363-G365 VanDerWaalsContact C-N 3.26Å |
| 364 | A | 88.5 | Confident | 87.9 | Confident | 67 Ų | 67 | 66.4 Ų | 66.4 | 55% | 0.554 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 2.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | D362 K366 | D362-A364 PolarHBondContact O-N 2.87Å; D362-A364 WeakPolarHBondContact OD1-CA 3.45Å; D362-A364 WeakPolarHBondContact OD1-CB 3.43Å; D362-A364 PolarHBondContact OD1-N 3.04Å; A364-K366 HydrophobicContact CB-CD 4.37Å; A364-K366 HydrophobicContact CB-CG 4.37Å; A364-K366 PolarHBondContact O-N 3.14Å |
| 365 | G | 91.3 | Very high | 87.1 | Confident | 33 Ų | 33 | 75.6 Ų | 75.6 | 34% | 0.34 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 74.2 | 10.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | R361 D362 T363 | R361-G365 WeakPolarHBondContact CD-O 3.17Å; R361-G365 PolarHBondContact NH1-O 3.5Å; R361-G365 VanDerWaalsContact NH1-O 3.15Å; D362-G365 PolarHBondContact O-N 3.25Å; D362-G365 PolarHBondContact OD1-N 3.38Å; D362-G365 VanDerWaalsContact OD1-N 3.1Å; T363-G365 VanDerWaalsContact C-N 3.26Å |
| 366 | K | 90.2 | Very high | 86.5 | Confident | 87 Ų | 87 | 71.5 Ų | 71.5 | 38% | 0.378 | 36% | 0.363 | S | S | . | . | trans | -90.2 | 155.8 | -177 | -69.5 | 177.9 | 174.8 | -174.9 | 0 | 111.9 | H336 R361 D362 A364 Y371 | H336-K366 PolarHBondContact NE2-O 2.92Å; R361-K366 WeakPolarHBondContact CA-O 3.12Å; R361-K366 WeakPolarHBondContact CB-O 3.47Å; D362-K366 PolarHBondContact N-O 3.02Å; D362-K366 PolarHBondContact OD1-N 3.3Å; A364-K366 HydrophobicContact CB-CD 4.37Å; A364-K366 HydrophobicContact CB-CG 4.37Å; A364-K366 PolarHBondContact O-N 3.14Å; K366-Y371 HydrophobicContact CB-CE2 3.84Å; K366-Y371 HydrophobicContact CD-CE2 3.78Å; K366-Y371 WeakPolarHBondContact CD-OH 3.26Å | ||
| 367 | K | 91.8 | Very high | 86 | Confident | 48 Ų | 48 | 75.6 Ų | 75.6 | 21% | 0.209 | 39% | 0.389 | C | S | . | . | trans | -98.5 | 157.3 | 170.3 | -75.4 | -173.2 | 167 | -163.8 | 0 | 111.2 | R361 W369 Q370 | R361-K367 HydrophobicContact CG-CG 4.29Å; K367-W369 VanDerWaalsContact C-N 3.33Å; K367-W369 PolarHBondContact O-N 3.06Å; K367-Q370 WeakPolarHBondContact O-CB 3.24Å; K367-Q370 PolarHBondContact O-N 3.13Å | ||
| 368 | A | 89.5 | Confident | 85.8 | Confident | 1 Ų | 1 | 75.1 Ų | 75.1 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -51.8 | -43.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.1 | L335 H336 A339 Q370 Y371 | L335-A368 HydrophobicContact CD2-CB 4.33Å; L335-A368 HydrophobicContact CG-CB 4.05Å; H336-A368 PolarHBondContact NE2-N 2.98Å; H336-A368 VanDerWaalsContact NE2-N 3.2Å; A339-A368 HydrophobicContact CB-CB 4.3Å; A339-A368 WeakPolarHBondContact CB-O 3.16Å; A368-Q370 PolarHBondContact O-N 3.49Å; A368-Q370 VanDerWaalsContact O-N 3.12Å; A368-Y371 PolarHBondContact O-N 2.91Å |
| 369 | W | 89.6 | Confident | 85.6 | Confident | 95 Ų | 95 | 74.5 Ų | 74.5 | 36% | 0.36 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -60.2 | -25 | 179.8 | 66 | -97.7 | 0 | 0 | 0 | 114.3 | K367 Y371 L372 L380 L383 | K367-W369 VanDerWaalsContact C-N 3.33Å; K367-W369 PolarHBondContact O-N 3.06Å; W369-Y371 PolarHBondContact O-N 3.49Å; W369-L372 HydrophobicContact CB-CD1 4.42Å; W369-L372 WeakPolarHBondContact O-CB 3.17Å; W369-L372 PolarHBondContact O-N 2.94Å; W369-L380 HydrophobicContact CB-CD1 4Å; W369-L380 HydrophobicContact CD2-CD1 4.25Å; W369-L380 HydrophobicContact CE3-CD1 3.84Å; W369-L380 HydrophobicContact CG-CD1 4.37Å; W369-L383 HydrophobicContact CB-CB 3.75Å; W369-L383 HydrophobicContact CB-CD1 4.42Å |
| 370 | Q | 90.5 | Very high | 85.4 | Confident | 92 Ų | 92 | 70.6 Ų | 70.6 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -74.6 | -5 | 180 | -58.5 | -179.9 | -49.3 | 0 | 0 | 113 | K367 A368 | K367-Q370 WeakPolarHBondContact O-CB 3.24Å; K367-Q370 PolarHBondContact O-N 3.13Å; A368-Q370 PolarHBondContact O-N 3.49Å; A368-Q370 VanDerWaalsContact O-N 3.12Å |
| 371 | Y | 88.8 | Confident | 85.2 | Confident | 54 Ų | 54 | 75.4 Ų | 75.4 | 21% | 0.212 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -101.3 | -5.4 | 173.2 | -74.3 | -81.4 | 0 | 0 | 0 | 113.6 | I340 D362 K366 A368 W369 S373 | I340-Y371 HydrophobicContact CD1-CD1 4.09Å; I340-Y371 HydrophobicContact CD1-CE1 4.23Å; I340-Y371 HydrophobicContact CD1-CG 4.31Å; I340-Y371 HydrophobicContact CG1-CD1 3.44Å; I340-Y371 VanDerWaalsContact CG1-CD1 3.44Å; I340-Y371 HydrophobicContact CG1-CD2 4.36Å; I340-Y371 HydrophobicContact CG1-CE1 4.06Å; I340-Y371 HydrophobicContact CG1-CG 3.59Å; D362-Y371 PolarHBondContact OD2-OH 3.39Å; D362-Y371 VanDerWaalsContact OD2-OH 3.05Å; K366-Y371 HydrophobicContact CB-CE2 3.84Å; K366-Y371 HydrophobicContact CD-CE2 3.78Å; K366-Y371 WeakPolarHBondContact CD-OH 3.26Å; A368-Y371 PolarHBondContact O-N 2.91Å; W369-Y371 PolarHBondContact O-N 3.49Å; Y371-S373 PolarHBondContact O-N 3.19Å |
| 372 | L | 86.9 | Confident | 84.8 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 16% | 0.162 | 37% | 0.371 | C | S | . | . | trans | -65.5 | 106.3 | 174.4 | -66.8 | 177.2 | 0 | 0 | 0 | 110.2 | A339 I347 W369 D374 I379 L383 | A339-L372 HydrophobicContact CB-CD2 4.1Å; I347-L372 HydrophobicContact CD1-CD2 4Å; W369-L372 HydrophobicContact CB-CD1 4.42Å; W369-L372 WeakPolarHBondContact O-CB 3.17Å; W369-L372 PolarHBondContact O-N 2.94Å; L372-D374 VanDerWaalsContact C-N 3.25Å; L372-D374 PolarHBondContact O-N 3.27Å; L372-I379 HydrophobicContact CD1-CG2 4.23Å; L372-I379 HydrophobicContact CD2-CG2 4.29Å; L372-L383 HydrophobicContact CD1-CD1 4.25Å | ||
| 373 | S | 74.6 | Confident | 84.3 | Confident | 123 Ų | 123 | 69.5 Ų | 69.5 | 86% | 0.86 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -72.3 | -21.5 | 173.8 | -61.1 | 0 | 0 | 0 | 0 | 112.7 | Y371 | Y371-S373 PolarHBondContact O-N 3.19Š|
| 374 | D | 74.3 | Confident | 83.4 | Confident | 88 Ų | 88 | 67.2 Ų | 67.2 | 47% | 0.471 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -113.9 | 122.8 | 176.5 | 175.3 | 23.5 | 0 | 0 | 0 | 109.9 | K344 L372 A376 | K344-D374 VanDerWaalsContact CE-OD2 3.25Å; K344-D374 WeakPolarHBondContact CE-OD2 3.34Å; K344-D374 IonicContact NZ-OD2 2.6Å; K344-D374 PolarHBondContact NZ-OD2 3.15Å; L372-D374 VanDerWaalsContact C-N 3.25Å; L372-D374 PolarHBondContact O-N 3.27Å; D374-A376 PolarHBondContact O-N 2.68Å |
| 375 | R | 66.5 | Low | 82.2 | Confident | 215 Ų | 215 | 68.1 Ų | 68.1 | 81% | 0.811 | 37% | 0.368 | S | S | * | . | trans | -82 | 59.7 | 178.5 | -81.6 | -175.7 | 164.6 | -177.5 | -5.2 | 111.3 | P377 | R375-P377 WeakPolarHBondContact O-CD 3.39Š| ||
| 376 | A | 73.9 | Confident | 81.8 | Confident | 13 Ų | 13 | 69.9 Ų | 69.9 | 11% | 0.107 | 37% | 0.369 | C | S | . | . | trans | -65.4 | 112.1 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | D374 D378 I379 L380 | D374-A376 PolarHBondContact O-N 2.68Å; A376-D378 PolarHBondContact O-N 3.07Å; A376-I379 HydrophobicContact CB-CB 4.26Å; A376-I379 HydrophobicContact CB-CD1 4Å; A376-I379 HydrophobicContact CB-CG1 4.13Å; A376-I379 PolarHBondContact O-N 3.34Å; A376-I379 VanDerWaalsContact O-N 3.08Å; A376-L380 PolarHBondContact O-N 2.93Å | ||
| 377 | P | 78.8 | Confident | 81.3 | Confident | 94 Ų | 94 | 69 Ų | 69 | 61% | 0.61 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | -166.9 | 22.7 | -32.3 | 0 | 0 | 0 | 112 | R375 I379 L380 E381 | R375-P377 WeakPolarHBondContact O-CD 3.39Å; P377-I379 PolarHBondContact O-N 3.1Å; P377-I379 VanDerWaalsContact O-N 3.1Å; P377-L380 PolarHBondContact O-N 2.88Å; P377-L380 VanDerWaalsContact O-N 3.13Å; P377-E381 WeakPolarHBondContact O-CB 3.46Å; P377-E381 PolarHBondContact O-N 3.01Å |
| 378 | D | 84.8 | Confident | 80.7 | Confident | 70 Ų | 70 | 70.2 Ų | 70.2 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67 | -10.5 | 179.5 | 40.6 | -60.6 | 0 | 0 | 0 | 114.2 | R348 A376 L382 | R348-D378 IonicContact CZ-OD2 2.91Å; R348-D378 IonicContact NH2-OD2 2.72Å; R348-D378 PolarHBondContact NH2-OD2 3.09Å; A376-D378 PolarHBondContact O-N 3.07Å; D378-L382 WeakPolarHBondContact O-CB 3.44Å; D378-L382 VanDerWaalsContact O-CD1 3.26Å; D378-L382 WeakPolarHBondContact O-CD1 3.44Å; D378-L382 WeakPolarHBondContact O-CG 3.15Å |
| 379 | I | 85 | Confident | 80.2 | Confident | 3 Ų | 3 | 74.2 Ų | 74.2 | 2% | 0.015 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -100.2 | -32.3 | 173.6 | -54.7 | -178.6 | 0 | 0 | 0 | 110.9 | K344 I347 L372 A376 P377 E381 L383 | K344-I379 HydrophobicContact CB-CD1 3.45Å; K344-I379 VanDerWaalsContact CB-CD1 3.45Å; K344-I379 HydrophobicContact CD-CD1 3.53Å; K344-I379 HydrophobicContact CG-CD1 3.35Å; I347-I379 HydrophobicContact CB-CG2 4.48Å; I347-I379 HydrophobicContact CD1-CG2 4Å; I347-I379 HydrophobicContact CG2-CG2 3.94Å; L372-I379 HydrophobicContact CD1-CG2 4.23Å; L372-I379 HydrophobicContact CD2-CG2 4.29Å; A376-I379 HydrophobicContact CB-CB 4.26Å; A376-I379 HydrophobicContact CB-CD1 4Å; A376-I379 HydrophobicContact CB-CG1 4.13Å; A376-I379 PolarHBondContact O-N 3.34Å; A376-I379 VanDerWaalsContact O-N 3.08Å; P377-I379 PolarHBondContact O-N 3.1Å; P377-I379 VanDerWaalsContact O-N 3.1Å; I379-E381 VanDerWaalsContact C-N 3.35Å; I379-L383 HydrophobicContact CG2-CD1 4.46Å; I379-L383 WeakPolarHBondContact O-CB 3.34Å; I379-L383 WeakPolarHBondContact O-CG 3.39Å; I379-L383 PolarHBondContact O-N 3.06Å |
| 380 | L | 84 | Confident | 79.6 | Confident | 51 Ų | 51 | 72.9 Ų | 72.9 | 27% | 0.267 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 167.6 | -178.6 | 59.3 | 0 | 0 | 0 | 110.5 | W369 A376 P377 L383 A384 | W369-L380 HydrophobicContact CB-CD1 4Å; W369-L380 HydrophobicContact CD2-CD1 4.25Å; W369-L380 HydrophobicContact CE3-CD1 3.84Å; W369-L380 HydrophobicContact CG-CD1 4.37Å; A376-L380 PolarHBondContact O-N 2.93Å; P377-L380 PolarHBondContact O-N 2.88Å; P377-L380 VanDerWaalsContact O-N 3.13Å; L380-L383 CarbonylContact O-C 3.28Å; L380-L383 PolarHBondContact O-N 2.78Å; L380-L383 VanDerWaalsContact O-N 3.14Å; L380-A384 WeakPolarHBondContact O-CB 3.42Å; L380-A384 PolarHBondContact O-N 2.73Å |
| 381 | E | 83.8 | Confident | 78.9 | Confident | 143 Ų | 143 | 71.7 Ų | 71.7 | 67% | 0.668 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.9 | -52.5 | 175.1 | -175.2 | 177.6 | -161.3 | 0 | 0 | 111.8 | P377 I379 L383 A384 | P377-E381 WeakPolarHBondContact O-CB 3.46Å; P377-E381 PolarHBondContact O-N 3.01Å; I379-E381 VanDerWaalsContact C-N 3.35Å; E381-L383 PolarHBondContact O-N 2.98Å; E381-A384 PolarHBondContact O-N 3.25Å |
| 382 | L | 83.6 | Confident | 78.2 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -14.1 | 174.3 | -75.7 | 172.7 | 0 | 0 | 0 | 114.3 | R348 D378 | R348-L382 HydrophobicContact CG-CD1 3.99Å; D378-L382 WeakPolarHBondContact O-CB 3.44Å; D378-L382 VanDerWaalsContact O-CD1 3.26Å; D378-L382 WeakPolarHBondContact O-CD1 3.44Å; D378-L382 WeakPolarHBondContact O-CG 3.15Å |
| 383 | L | 80.4 | Confident | 77.5 | Confident | 0 Ų | 0 | 76.2 Ų | 76.2 | 0% | 0 | 43% | 0.433 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.8 | 7.3 | 176.3 | -64.8 | -178.2 | 0 | 0 | 0 | 114.2 | L335 I347 V351 V358 W369 L372 I379 L380 E381 | L335-L383 HydrophobicContact CD1-CD2 4.03Å; L335-L383 HydrophobicContact CD2-CD2 3.79Å; L335-L383 HydrophobicContact CG-CD2 4.06Å; I347-L383 HydrophobicContact CD1-CD1 4.49Å; I347-L383 HydrophobicContact CG2-CD1 3.79Å; I347-L383 HydrophobicContact CG2-CD2 3.96Å; I347-L383 HydrophobicContact CG2-CG 3.93Å; V351-L383 HydrophobicContact CG2-CD2 3.89Å; V358-L383 VanDerWaalsContact CG1-C 3.42Å; V358-L383 HydrophobicContact CG1-CB 4.27Å; V358-L383 HydrophobicContact CG1-CD2 4.2Å; V358-L383 WeakPolarHBondContact CG1-O 2.93Å; V358-L383 HydrophobicContact CG2-CD2 4.01Å; W369-L383 HydrophobicContact CB-CB 3.75Å; W369-L383 HydrophobicContact CB-CD1 4.42Å; L372-L383 HydrophobicContact CD1-CD1 4.25Å; I379-L383 HydrophobicContact CG2-CD1 4.46Å; I379-L383 WeakPolarHBondContact O-CB 3.34Å; I379-L383 WeakPolarHBondContact O-CG 3.39Å; I379-L383 PolarHBondContact O-N 3.06Å; L380-L383 CarbonylContact O-C 3.28Å; L380-L383 PolarHBondContact O-N 2.78Å; L380-L383 VanDerWaalsContact O-N 3.14Å; E381-L383 PolarHBondContact O-N 2.98Å |
| 384 | A | 75.6 | Confident | 77.8 | Confident | 63 Ų | 63 | 72.3 Ų | 72.3 | 52% | 0.521 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -18.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L380 E381 | L380-A384 WeakPolarHBondContact O-CB 3.42Å; L380-A384 PolarHBondContact O-N 2.73Å; E381-A384 PolarHBondContact O-N 3.25Å |
| 385 | A | 62.9 | Low | 78.1 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 71% | 0.711 | 39% | 0.391 | S | S | * | . | trans | -67.3 | 0 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | K359 | K359-A385 WeakPolarHBondContact CE-O 3.11Å; K359-A385 PolarHBondContact NZ-O 2.67Å |
Retrieved 385 of 385 residues in 276.6 ms
(Link to these results)