| 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 | A | 74.6 | Confident | 86.8 | Confident | 153 Ų | 153 | 104.1 Ų | 104.1 | 100% | 1.264 | 61% | 0.606 | S | S | * | * | 0 | 143 | 0 | 0 | 0 | 0 | 0 | 0 | 108.2 | |||||
| 2 | V | 80.2 | Confident | 87.3 | Confident | 136 Ų | 136 | 103.4 Ų | 103.4 | 82% | 0.824 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 131.8 | 172.2 | -178 | 0 | 0 | 0 | 0 | 107.6 | ||
| 3 | P | 80.1 | Confident | 87.8 | Confident | 87 Ų | 87 | 96.6 Ų | 96.6 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 140.7 | 175.5 | 28.1 | -34.1 | 0 | 0 | 0 | 110.1 | ||
| 4 | S | 90.2 | Very high | 88.2 | Confident | 61 Ų | 61 | 91.6 Ų | 91.6 | 43% | 0.427 | 53% | 0.53 | S | S | . | . | P | Polyproline II helix | trans | -78.2 | 156.2 | 173.3 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | G6 Q7 A8 | S4-G6 PolarHBondContact O-N 2.96Å; S4-G6 VanDerWaalsContact O-N 3.12Å; S4-Q7 VanDerWaalsContact N-OE1 3.11Å; S4-Q7 WeakPolarHBondContact O-CA 3.43Å; S4-Q7 WeakPolarHBondContact O-CB 3.35Å; S4-Q7 PolarHBondContact O-N 3.39Å; S4-Q7 WeakPolarHBondContact OG-CG 3.42Å; S4-Q7 PolarHBondContact OG-N 3.1Å; S4-A8 PolarHBondContact O-N 3.35Å |
| 5 | D | 90.3 | Very high | 88.5 | Confident | 126 Ų | 126 | 89.2 Ų | 89.2 | 67% | 0.674 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -54.6 | -32.9 | 175.8 | -71.2 | -2.8 | 0 | 0 | 0 | 112.8 | A8 R9 | D5-A8 PolarHBondContact O-N 3.32Å; D5-R9 WeakPolarHBondContact O-CB 3.44Å; D5-R9 WeakPolarHBondContact O-CD 3.43Å; D5-R9 WeakPolarHBondContact O-CG 3.37Å; D5-R9 PolarHBondContact O-N 2.88Å |
| 6 | G | 89.1 | Confident | 88.8 | Confident | 38 Ų | 38 | 86.1 Ų | 86.1 | 39% | 0.392 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62 | -48.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S4 A8 R9 E10 | S4-G6 PolarHBondContact O-N 2.96Å; S4-G6 VanDerWaalsContact O-N 3.12Å; G6-A8 VanDerWaalsContact C-N 3.33Å; G6-A8 PolarHBondContact O-N 2.8Å; G6-R9 PolarHBondContact O-N 3.49Å; G6-E10 WeakPolarHBondContact O-CG 3.45Å; G6-E10 PolarHBondContact O-N 2.81Å |
| 7 | Q | 88.1 | Confident | 89.1 | Confident | 107 Ų | 107 | 82.4 Ų | 82.4 | 50% | 0.5 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.8 | -38.4 | 176.7 | -68.3 | 170.7 | -21 | 0 | 0 | 112.1 | S4 K11 | S4-Q7 VanDerWaalsContact N-OE1 3.11Å; S4-Q7 WeakPolarHBondContact O-CA 3.43Å; S4-Q7 WeakPolarHBondContact O-CB 3.35Å; S4-Q7 PolarHBondContact O-N 3.39Å; S4-Q7 WeakPolarHBondContact OG-CG 3.42Å; S4-Q7 PolarHBondContact OG-N 3.1Å; Q7-K11 WeakPolarHBondContact O-CG 3.4Å; Q7-K11 PolarHBondContact O-N 3.29Å |
| 8 | A | 90.2 | Very high | 89.3 | Confident | 50 Ų | 50 | 78.4 Ų | 78.4 | 41% | 0.413 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.8 | -45.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S4 D5 G6 K11 L12 | S4-A8 PolarHBondContact O-N 3.35Å; D5-A8 PolarHBondContact O-N 3.32Å; G6-A8 VanDerWaalsContact C-N 3.33Å; G6-A8 PolarHBondContact O-N 2.8Å; A8-K11 PolarHBondContact O-N 2.88Å; A8-L12 WeakPolarHBondContact O-CB 3.35Å; A8-L12 PolarHBondContact O-N 3.14Å |
| 9 | R | 89.9 | Confident | 89.5 | Confident | 185 Ų | 185 | 79 Ų | 79 | 70% | 0.698 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.8 | -43.1 | 175.9 | -74.2 | 166.7 | -175.8 | -97.4 | 1.1 | 112.3 | D5 G6 L12 A13 | D5-R9 WeakPolarHBondContact O-CB 3.44Å; D5-R9 WeakPolarHBondContact O-CD 3.43Å; D5-R9 WeakPolarHBondContact O-CG 3.37Å; D5-R9 PolarHBondContact O-N 2.88Å; G6-R9 PolarHBondContact O-N 3.49Å; R9-L12 PolarHBondContact O-N 3.01Å; R9-A13 WeakPolarHBondContact O-CB 3.42Å; R9-A13 PolarHBondContact O-N 3.03Å |
| 10 | E | 90.9 | Very high | 89.7 | Confident | 83 Ų | 83 | 76.7 Ų | 76.7 | 39% | 0.388 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 175.8 | -73.4 | -178.7 | -178.1 | 0 | 0 | 112.3 | G6 A13 L14 W38 K40 | G6-E10 WeakPolarHBondContact O-CG 3.45Å; G6-E10 PolarHBondContact O-N 2.81Å; E10-A13 PolarHBondContact O-N 3.44Å; E10-L14 PolarHBondContact O-N 3.05Å; E10-L14 VanDerWaalsContact O-N 3.14Å; E10-W38 HydrophobicContact CB-CH2 4.19Å; E10-W38 HydrophobicContact CB-CZ3 4.37Å; E10-W38 HydrophobicContact CG-CZ3 4.5Å; E10-W38 VanDerWaalsContact O-CH2 3.3Å; E10-W38 WeakPolarHBondContact O-CH2 3.33Å; E10-K40 IonicContact OE1-NZ 2.67Å; E10-K40 PolarHBondContact OE1-NZ 3.36Å; E10-K40 IonicContact OE2-NZ 2.69Å; E10-K40 PolarHBondContact OE2-NZ 3.16Å |
| 11 | K | 90.9 | Very high | 89.8 | Confident | 119 Ų | 119 | 74 Ų | 74 | 52% | 0.517 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -64.2 | -42.9 | 176.4 | -75.8 | -67.6 | -174.8 | -179.6 | 0 | 111.9 | Q7 A8 A13 L14 Y15 | Q7-K11 WeakPolarHBondContact O-CG 3.4Å; Q7-K11 PolarHBondContact O-N 3.29Å; A8-K11 PolarHBondContact O-N 2.88Å; K11-A13 PolarHBondContact O-N 3.08Å; K11-L14 PolarHBondContact O-N 3.41Å; K11-Y15 HydrophobicContact CB-CE2 4.07Å; K11-Y15 WeakPolarHBondContact O-CD2 3.3Å; K11-Y15 VanDerWaalsContact O-CG 3.32Å; K11-Y15 PolarHBondContact O-N 3.26Å |
| 12 | L | 92.8 | Very high | 90.5 | Very high | 96 Ų | 96 | 69.7 Ų | 69.7 | 50% | 0.503 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 176.1 | -179.2 | 61.3 | 0 | 0 | 0 | 111.6 | A8 R9 L14 Y15 V16 L51 | A8-L12 WeakPolarHBondContact O-CB 3.35Å; A8-L12 PolarHBondContact O-N 3.14Å; R9-L12 PolarHBondContact O-N 3.01Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.3Å; L12-Y15 PolarHBondContact O-N 3.18Å; L12-V16 HydrophobicContact CD1-CG2 4.2Å; L12-V16 HydrophobicContact CG-CG2 4.37Å; L12-V16 WeakPolarHBondContact O-CG2 3.18Å; L12-V16 PolarHBondContact O-N 2.99Å; L12-L51 HydrophobicContact CD1-CD1 4.37Å |
| 13 | A | 93.7 | Very high | 91.1 | Very high | 15 Ų | 15 | 67 Ų | 67 | 12% | 0.124 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | R9 E10 K11 Y15 V16 Y17 F32 I36 W38 | R9-A13 WeakPolarHBondContact O-CB 3.42Å; R9-A13 PolarHBondContact O-N 3.03Å; E10-A13 PolarHBondContact O-N 3.44Å; K11-A13 PolarHBondContact O-N 3.08Å; A13-Y15 PolarHBondContact O-N 3.17Å; A13-V16 PolarHBondContact O-N 3.4Å; A13-Y17 PolarHBondContact O-N 3.14Å; A13-F32 HydrophobicContact CB-CE1 4.27Å; A13-F32 HydrophobicContact CB-CZ 4.08Å; A13-F32 WeakPolarHBondContact O-CE1 3.35Å; A13-I36 HydrophobicContact CB-CD1 3.94Å; A13-W38 HydrophobicContact CB-CE3 4.3Å; A13-W38 HydrophobicContact CB-CZ3 3.86Å |
| 14 | L | 93.1 | Very high | 91.6 | Very high | 26 Ų | 26 | 65.4 Ų | 65.4 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 175.4 | -175.6 | 149.5 | 0 | 0 | 0 | 112 | E10 K11 L12 Y17 E18 W38 | E10-L14 PolarHBondContact O-N 3.05Å; E10-L14 VanDerWaalsContact O-N 3.14Å; K11-L14 PolarHBondContact O-N 3.41Å; L12-L14 VanDerWaalsContact C-N 3.34Å; L12-L14 PolarHBondContact O-N 3.3Å; L14-Y17 PolarHBondContact O-N 3.32Å; L14-E18 PolarHBondContact O-N 3.41Å; L14-W38 HydrophobicContact CB-CH2 4.43Å; L14-W38 HydrophobicContact CB-CZ2 4.37Å; L14-W38 HydrophobicContact CD1-CZ2 4.45Å |
| 15 | Y | 92.8 | Very high | 91.8 | Very high | 56 Ų | 56 | 63.8 Ų | 63.8 | 22% | 0.22 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -71.4 | -30.6 | 178.6 | -60 | -46.6 | 0 | 0 | 0 | 113.5 | K11 L12 A13 Y19 F50 | K11-Y15 HydrophobicContact CB-CE2 4.07Å; K11-Y15 WeakPolarHBondContact O-CD2 3.3Å; K11-Y15 VanDerWaalsContact O-CG 3.32Å; K11-Y15 PolarHBondContact O-N 3.26Å; L12-Y15 PolarHBondContact O-N 3.18Å; A13-Y15 PolarHBondContact O-N 3.17Å; Y15-Y19 WeakPolarHBondContact O-CB 3.41Å; Y15-Y19 PolarHBondContact O-N 3.22Å; Y15-F50 HydrophobicContact CD1-CB 3.67Å; Y15-F50 AromaticContact CD1-CD1 3.77Å; Y15-F50 HydrophobicContact CD1-CD1 3.77Å; Y15-F50 AromaticContact CD1-CG 3.97Å; Y15-F50 HydrophobicContact CD1-CG 3.97Å; Y15-F50 AromaticContact CD2-CD1 3.61Å; Y15-F50 HydrophobicContact CD2-CD1 3.61Å; Y15-F50 AromaticContact CD2-CE1 3.95Å; Y15-F50 HydrophobicContact CD2-CE1 3.95Å; Y15-F50 HydrophobicContact CE1-CB 3.7Å; Y15-F50 AromaticContact CE1-CD1 3.68Å; Y15-F50 HydrophobicContact CE1-CD1 3.68Å; Y15-F50 HydrophobicContact CE1-CD2 4.45Å; Y15-F50 HydrophobicContact CE1-CE1 4.44Å; Y15-F50 AromaticContact CE1-CG 3.69Å; Y15-F50 HydrophobicContact CE1-CG 3.69Å; Y15-F50 AromaticContact CE2-CD1 3.53Å; Y15-F50 HydrophobicContact CE2-CD1 3.53Å; Y15-F50 AromaticContact CE2-CE1 3.59Å; Y15-F50 HydrophobicContact CE2-CE1 3.59Å; Y15-F50 HydrophobicContact CE2-CG 4.32Å; Y15-F50 HydrophobicContact CE2-CZ 4.42Å; Y15-F50 HydrophobicContact CG-CB 4.35Å; Y15-F50 AromaticContact CG-CD1 3.74Å; Y15-F50 HydrophobicContact CG-CD1 3.74Å; Y15-F50 HydrophobicContact CG-CG 4.4Å; Y15-F50 AromaticContact CZ-CD1 3.56Å; Y15-F50 AromaticContact CZ-CE1 3.86Å; Y15-F50 AromaticContact CZ-CG 3.88Å |
| 16 | V | 94.1 | Very high | 91.9 | Very high | 39 Ų | 39 | 62.7 Ų | 62.7 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.5 | -42.1 | 171.3 | 168.3 | 0 | 0 | 0 | 0 | 110.7 | L12 A13 Y19 L20 F32 L51 | L12-V16 HydrophobicContact CD1-CG2 4.2Å; L12-V16 HydrophobicContact CG-CG2 4.37Å; L12-V16 WeakPolarHBondContact O-CG2 3.18Å; L12-V16 PolarHBondContact O-N 2.99Å; A13-V16 PolarHBondContact O-N 3.4Å; V16-Y19 PolarHBondContact O-N 3.43Å; V16-L20 HydrophobicContact CG1-CD1 4.1Å; V16-L20 HydrophobicContact CG1-CG 4.49Å; V16-L20 VanDerWaalsContact O-CG 3.3Å; V16-L20 WeakPolarHBondContact O-CG 3.5Å; V16-L20 PolarHBondContact O-N 3.36Å; V16-F32 HydrophobicContact CB-CE1 4.25Å; V16-F32 HydrophobicContact CB-CZ 4.23Å; V16-F32 HydrophobicContact CG1-CD1 4.47Å; V16-F32 HydrophobicContact CG1-CE1 3.99Å; V16-F32 HydrophobicContact CG1-CE2 4.31Å; V16-F32 HydrophobicContact CG1-CZ 3.9Å; V16-L51 HydrophobicContact CG2-CD2 3.88Å |
| 17 | Y | 93.4 | Very high | 92.2 | Very high | 24 Ų | 24 | 69.6 Ų | 69.6 | 9% | 0.094 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.1 | -47.4 | 174.3 | 175.4 | -101.1 | 0 | 0 | 0 | 112.1 | A13 L14 Y19 L20 L21 A29 L33 I42 L44 | A13-Y17 PolarHBondContact O-N 3.14Å; L14-Y17 PolarHBondContact O-N 3.32Å; Y17-Y19 VanDerWaalsContact C-N 3.32Å; Y17-Y19 PolarHBondContact O-N 3.5Å; Y17-L20 PolarHBondContact O-N 3.22Å; Y17-L21 HydrophobicContact CD1-CD1 4.12Å; Y17-L21 HydrophobicContact CE1-CD1 3.44Å; Y17-L21 VanDerWaalsContact CE1-CD1 3.44Å; Y17-L21 HydrophobicContact CE1-CG 4.1Å; Y17-L21 HydrophobicContact CE2-CD1 4.45Å; Y17-L21 HydrophobicContact CE2-CD2 4.32Å; Y17-L21 HydrophobicContact CE2-CG 4.34Å; Y17-L21 PolarHBondContact O-N 3.04Å; Y17-A29 HydrophobicContact CD2-CB 3.76Å; Y17-A29 WeakPolarHBondContact CD2-O 3.31Å; Y17-A29 HydrophobicContact CE2-CB 3.61Å; Y17-A29 WeakPolarHBondContact CE2-O 3.48Å; Y17-L33 HydrophobicContact CD2-CD1 3.7Å; Y17-L33 HydrophobicContact CD2-CD2 3.69Å; Y17-L33 HydrophobicContact CD2-CG 3.5Å; Y17-L33 HydrophobicContact CE1-CD1 4.35Å; Y17-L33 HydrophobicContact CE2-CD1 3.29Å; Y17-L33 HydrophobicContact CE2-CD2 4.21Å; Y17-L33 HydrophobicContact CE2-CG 3.61Å; Y17-L33 HydrophobicContact CG-CD1 4.38Å; Y17-L33 HydrophobicContact CG-CD2 3.92Å; Y17-L33 HydrophobicContact CG-CG 4.23Å; Y17-I42 HydrophobicContact CD1-CD1 3.86Å; Y17-I42 HydrophobicContact CD1-CG2 3.82Å; Y17-I42 HydrophobicContact CE1-CD1 3.65Å; Y17-I42 HydrophobicContact CE1-CG2 3.79Å; Y17-I42 HydrophobicContact CG-CD1 4.44Å; Y17-L44 HydrophobicContact CD1-CD2 4.17Å; Y17-L44 HydrophobicContact CE1-CD2 4.01Å |
| 18 | E | 92.6 | Very high | 92.6 | Very high | 10 Ų | 10 | 67.5 Ų | 67.5 | 5% | 0.047 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -54.9 | -47.6 | 174 | 177.9 | -178.1 | -119.5 | 0 | 0 | 111.5 | L14 L20 L21 H22 L44 G45 G49 F50 | L14-E18 PolarHBondContact O-N 3.41Å; E18-L20 PolarHBondContact O-N 3.27Å; E18-L21 PolarHBondContact O-N 3.41Å; E18-H22 VanDerWaalsContact CG-CE1 3.44Å; E18-H22 WeakPolarHBondContact CG-CE1 3.04Å; E18-H22 PolarHBondContact O-N 2.69Å; E18-L44 HydrophobicContact CB-CD2 4.34Å; E18-G45 WeakPolarHBondContact OE1-CA 3.34Å; E18-G45 PolarHBondContact OE1-N 3.49Å; E18-G49 WeakPolarHBondContact OE2-CA 3.44Å; E18-F50 PolarHBondContact OE2-N 3.41Å |
| 19 | Y | 92.9 | Very high | 92.8 | Very high | 90 Ų | 90 | 65.1 Ų | 65.1 | 35% | 0.353 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.1 | -47.4 | 176.3 | 172.7 | -105 | 0 | 0 | 0 | 112.5 | Y15 V16 Y17 L21 H22 V23 L51 H52 | Y15-Y19 WeakPolarHBondContact O-CB 3.41Å; Y15-Y19 PolarHBondContact O-N 3.22Å; V16-Y19 PolarHBondContact O-N 3.43Å; Y17-Y19 VanDerWaalsContact C-N 3.32Å; Y17-Y19 PolarHBondContact O-N 3.5Å; Y19-L21 VanDerWaalsContact C-N 3.26Å; Y19-L21 PolarHBondContact O-N 3.24Å; Y19-H22 PolarHBondContact O-N 2.67Å; Y19-H22 VanDerWaalsContact O-N 3.14Å; Y19-V23 HydrophobicContact CD2-CG1 3.95Å; Y19-V23 HydrophobicContact CE1-CG1 4.23Å; Y19-V23 HydrophobicContact CE1-CG2 4.47Å; Y19-V23 HydrophobicContact CE2-CG1 3.43Å; Y19-V23 VanDerWaalsContact CE2-CG1 3.43Å; Y19-V23 WeakPolarHBondContact O-CG2 3.39Å; Y19-V23 PolarHBondContact O-N 2.86Å; Y19-L51 HydrophobicContact CG-CD2 4.28Å; Y19-H52 HydrophobicContact CD2-CB 4.22Å; Y19-H52 AromaticContact CE2-ND1 3.97Å |
| 20 | L | 93.9 | Very high | 92.9 | Very high | 32 Ų | 32 | 62.1 Ų | 62.1 | 17% | 0.168 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 178.4 | -72.2 | 170.3 | 0 | 0 | 0 | 112.2 | V16 Y17 E18 A25 A29 F32 | V16-L20 HydrophobicContact CG1-CD1 4.1Å; V16-L20 HydrophobicContact CG1-CG 4.49Å; V16-L20 VanDerWaalsContact O-CG 3.3Å; V16-L20 WeakPolarHBondContact O-CG 3.5Å; V16-L20 PolarHBondContact O-N 3.36Å; Y17-L20 PolarHBondContact O-N 3.22Å; E18-L20 PolarHBondContact O-N 3.27Å; L20-A25 HydrophobicContact CB-CB 4.48Å; L20-A25 HydrophobicContact CD2-CB 4.04Å; L20-A25 CarbonylContact O-C 3.49Å; L20-A25 WeakPolarHBondContact O-CA 3.3Å; L20-A25 WeakPolarHBondContact O-CB 3.46Å; L20-A25 PolarHBondContact O-N 3.2Å; L20-A29 HydrophobicContact CB-CB 3.75Å; L20-F32 HydrophobicContact CD1-CB 4.2Å; L20-F32 HydrophobicContact CD1-CD1 4.46Å; L20-F32 HydrophobicContact CD1-CG 4.35Å |
| 21 | L | 91.5 | Very high | 93.1 | Very high | 20 Ų | 20 | 61.4 Ų | 61.4 | 11% | 0.105 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -68 | -46.9 | 172.7 | -66 | -179 | 0 | 0 | 0 | 112.1 | Y17 E18 Y19 V23 G24 Q26 A29 L44 | Y17-L21 HydrophobicContact CD1-CD1 4.12Å; Y17-L21 HydrophobicContact CE1-CD1 3.44Å; Y17-L21 VanDerWaalsContact CE1-CD1 3.44Å; Y17-L21 HydrophobicContact CE1-CG 4.1Å; Y17-L21 HydrophobicContact CE2-CD1 4.45Å; Y17-L21 HydrophobicContact CE2-CD2 4.32Å; Y17-L21 HydrophobicContact CE2-CG 4.34Å; Y17-L21 PolarHBondContact O-N 3.04Å; E18-L21 PolarHBondContact O-N 3.41Å; Y19-L21 VanDerWaalsContact C-N 3.26Å; Y19-L21 PolarHBondContact O-N 3.24Å; L21-V23 PolarHBondContact O-N 2.9Å; L21-G24 PolarHBondContact O-N 3.19Å; L21-Q26 PolarHBondContact O-NE2 3.25Å; L21-A29 HydrophobicContact CD2-CB 3.67Å; L21-A29 HydrophobicContact CG-CB 4.15Å; L21-L44 HydrophobicContact CD1-CD1 3.53Å; L21-L44 HydrophobicContact CD1-CD2 3.68Å; L21-L44 HydrophobicContact CD1-CG 4.27Å |
| 22 | H | 89.6 | Confident | 93.3 | Very high | 64 Ų | 64 | 58 Ų | 58 | 30% | 0.296 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.8 | -32.1 | -177.7 | -70.2 | 157 | 0 | 0 | 0 | 113.7 | E18 Y19 G24 P48 G49 | E18-H22 VanDerWaalsContact CG-CE1 3.44Å; E18-H22 WeakPolarHBondContact CG-CE1 3.04Å; E18-H22 PolarHBondContact O-N 2.69Å; Y19-H22 PolarHBondContact O-N 2.67Å; Y19-H22 VanDerWaalsContact O-N 3.14Å; H22-G24 PolarHBondContact O-N 3.46Å; H22-P48 VanDerWaalsContact ND1-C 3.28Å; H22-P48 PolarHBondContact ND1-O 2.96Å; H22-P48 VanDerWaalsContact ND1-O 3.14Å; H22-G49 PolarHBondContact ND1-N 3.36Å |
| 23 | V | 92.3 | Very high | 93.3 | Very high | 79 Ų | 79 | 54.6 Ų | 54.6 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | 4.4 | 172.2 | -54.9 | 0 | 0 | 0 | 0 | 113.8 | Y19 L21 A25 | Y19-V23 HydrophobicContact CD2-CG1 3.95Å; Y19-V23 HydrophobicContact CE1-CG1 4.23Å; Y19-V23 HydrophobicContact CE1-CG2 4.47Å; Y19-V23 HydrophobicContact CE2-CG1 3.43Å; Y19-V23 VanDerWaalsContact CE2-CG1 3.43Å; Y19-V23 WeakPolarHBondContact O-CG2 3.39Å; Y19-V23 PolarHBondContact O-N 2.86Å; L21-V23 PolarHBondContact O-N 2.9Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 HydrophobicContact CG2-CB 3.94Å; V23-A25 PolarHBondContact O-N 3.05Å |
| 24 | G | 91.8 | Very high | 93.3 | Very high | 53 Ų | 53 | 57.8 Ų | 57.8 | 55% | 0.546 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.9 | 5.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | L21 H22 Q26 | L21-G24 PolarHBondContact O-N 3.19Å; H22-G24 PolarHBondContact O-N 3.46Å; G24-Q26 PolarHBondContact O-N 2.92Å |
| 25 | A | 94.3 | Very high | 93.3 | Very high | 27 Ų | 27 | 63.5 Ų | 63.5 | 22% | 0.223 | 34% | 0.336 | C | S | . | . | trans | -78.9 | 49.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L20 V23 K27 S28 A29 | L20-A25 HydrophobicContact CB-CB 4.48Å; L20-A25 HydrophobicContact CD2-CB 4.04Å; L20-A25 CarbonylContact O-C 3.49Å; L20-A25 WeakPolarHBondContact O-CA 3.3Å; L20-A25 WeakPolarHBondContact O-CB 3.46Å; L20-A25 PolarHBondContact O-N 3.2Å; V23-A25 VanDerWaalsContact C-N 3.33Å; V23-A25 HydrophobicContact CG2-CB 3.94Å; V23-A25 PolarHBondContact O-N 3.05Å; A25-K27 VanDerWaalsContact C-N 3.29Å; A25-K27 PolarHBondContact O-N 2.79Å; A25-S28 PolarHBondContact O-N 2.93Å; A25-A29 PolarHBondContact O-N 2.96Å | ||
| 26 | Q | 92.9 | Very high | 93.3 | Very high | 103 Ų | 103 | 64.2 Ų | 64.2 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -52.9 | -40.5 | -173.3 | -64.9 | -69.9 | -45.2 | 0 | 0 | 113.7 | L21 G24 Q30 | L21-Q26 PolarHBondContact O-NE2 3.25Å; G24-Q26 PolarHBondContact O-N 2.92Å; Q26-Q30 WeakPolarHBondContact O-CG 3.43Å; Q26-Q30 PolarHBondContact O-N 3.43Å |
| 27 | K | 95.4 | Very high | 93.2 | Very high | 183 Ų | 183 | 72.3 Ų | 72.3 | 80% | 0.796 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.2 | -47.3 | 177.2 | -66.9 | -175.7 | 179.5 | -179.1 | 0 | 111.5 | A25 A29 Q30 T31 | A25-K27 VanDerWaalsContact C-N 3.29Å; A25-K27 PolarHBondContact O-N 2.79Å; K27-A29 VanDerWaalsContact C-N 3.3Å; K27-A29 PolarHBondContact O-N 2.85Å; K27-Q30 PolarHBondContact O-N 3.37Å; K27-T31 PolarHBondContact O-N 2.98Å; K27-T31 PolarHBondContact O-OG1 3.37Å |
| 28 | S | 96.3 | Very high | 93.2 | Very high | 64 Ų | 64 | 73.6 Ų | 73.6 | 45% | 0.448 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -62.9 | -37.6 | 177.7 | -48.1 | 0 | 0 | 0 | 0 | 111.9 | A25 T31 F32 | A25-S28 PolarHBondContact O-N 2.93Å; S28-T31 PolarHBondContact O-N 2.98Å; S28-F32 WeakPolarHBondContact O-CB 3.47Å; S28-F32 PolarHBondContact O-N 2.85Å |
| 29 | A | 93.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 82 Ų | 82 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y17 L20 L21 A25 K27 L33 | Y17-A29 HydrophobicContact CD2-CB 3.76Å; Y17-A29 WeakPolarHBondContact CD2-O 3.31Å; Y17-A29 HydrophobicContact CE2-CB 3.61Å; Y17-A29 WeakPolarHBondContact CE2-O 3.48Å; L20-A29 HydrophobicContact CB-CB 3.75Å; L21-A29 HydrophobicContact CD2-CB 3.67Å; L21-A29 HydrophobicContact CG-CB 4.15Å; A25-A29 PolarHBondContact O-N 2.96Å; K27-A29 VanDerWaalsContact C-N 3.3Å; K27-A29 PolarHBondContact O-N 2.85Å; A29-L33 PolarHBondContact O-N 2.88Å |
| 30 | Q | 91.8 | Very high | 92.6 | Very high | 121 Ų | 121 | 82.7 Ų | 82.7 | 57% | 0.565 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -64.7 | -48.3 | 176.3 | -72.3 | -74.2 | -19.9 | 0 | 0 | 112.2 | Q26 K27 F32 L33 S34 | Q26-Q30 WeakPolarHBondContact O-CG 3.43Å; Q26-Q30 PolarHBondContact O-N 3.43Å; K27-Q30 PolarHBondContact O-N 3.37Å; Q30-F32 VanDerWaalsContact C-N 3.34Å; Q30-F32 PolarHBondContact O-N 3.47Å; Q30-L33 PolarHBondContact O-N 3.39Å; Q30-S34 PolarHBondContact O-N 2.75Å |
| 31 | T | 95.8 | Very high | 92 | Very high | 68 Ų | 68 | 88.9 Ų | 88.9 | 42% | 0.417 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -58.3 | -46.1 | 177.1 | -61.5 | 0 | 0 | 0 | 0 | 111.3 | K27 S28 L33 S34 E35 | K27-T31 PolarHBondContact O-N 2.98Å; K27-T31 PolarHBondContact O-OG1 3.37Å; S28-T31 PolarHBondContact O-N 2.98Å; T31-L33 PolarHBondContact O-N 3.2Å; T31-S34 PolarHBondContact O-N 2.95Å; T31-S34 PolarHBondContact O-OG 3.4Å; T31-E35 HydrophobicContact CG2-CG 4.21Å; T31-E35 VanDerWaalsContact CG2-OE1 3.31Å; T31-E35 WeakPolarHBondContact CG2-OE1 3.36Å; T31-E35 WeakPolarHBondContact O-CG 3.16Å; T31-E35 PolarHBondContact O-N 2.94Å |
| 32 | F | 95.2 | Very high | 91.4 | Very high | 48 Ų | 48 | 90.5 Ų | 90.5 | 21% | 0.211 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -56.1 | -46.1 | 178.8 | 175.2 | -108.9 | 0 | 0 | 0 | 113 | A13 V16 L20 S28 Q30 S34 E35 I36 | A13-F32 HydrophobicContact CB-CE1 4.27Å; A13-F32 HydrophobicContact CB-CZ 4.08Å; A13-F32 WeakPolarHBondContact O-CE1 3.35Å; V16-F32 HydrophobicContact CB-CE1 4.25Å; V16-F32 HydrophobicContact CB-CZ 4.23Å; V16-F32 HydrophobicContact CG1-CD1 4.47Å; V16-F32 HydrophobicContact CG1-CE1 3.99Å; V16-F32 HydrophobicContact CG1-CE2 4.31Å; V16-F32 HydrophobicContact CG1-CZ 3.9Å; L20-F32 HydrophobicContact CD1-CB 4.2Å; L20-F32 HydrophobicContact CD1-CD1 4.46Å; L20-F32 HydrophobicContact CD1-CG 4.35Å; S28-F32 WeakPolarHBondContact O-CB 3.47Å; S28-F32 PolarHBondContact O-N 2.85Å; Q30-F32 VanDerWaalsContact C-N 3.34Å; Q30-F32 PolarHBondContact O-N 3.47Å; F32-S34 VanDerWaalsContact C-N 3.31Å; F32-S34 PolarHBondContact O-N 3.37Å; F32-E35 PolarHBondContact O-N 3.32Å; F32-I36 HydrophobicContact CD1-CD1 4.22Å; F32-I36 HydrophobicContact CD2-CG2 4.27Å; F32-I36 HydrophobicContact CE1-CD1 3.73Å; F32-I36 HydrophobicContact CE2-CD1 4.39Å; F32-I36 HydrophobicContact CE2-CG2 3.95Å; F32-I36 HydrophobicContact CZ-CD1 3.83Å; F32-I36 HydrophobicContact CZ-CG2 4.34Å; F32-I36 WeakPolarHBondContact O-CG1 3.43Å; F32-I36 PolarHBondContact O-N 3.05Å; F32-I36 VanDerWaalsContact O-N 3.16Å |
| 33 | L | 92.4 | Very high | 90.9 | Very high | 25 Ų | 25 | 92.9 Ų | 92.9 | 13% | 0.131 | 48% | 0.479 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 175.5 | -66.4 | -177.6 | 0 | 0 | 0 | 112.5 | Y17 A29 Q30 T31 R37 W38 I42 | Y17-L33 HydrophobicContact CD2-CD1 3.7Å; Y17-L33 HydrophobicContact CD2-CD2 3.69Å; Y17-L33 HydrophobicContact CD2-CG 3.5Å; Y17-L33 HydrophobicContact CE1-CD1 4.35Å; Y17-L33 HydrophobicContact CE2-CD1 3.29Å; Y17-L33 HydrophobicContact CE2-CD2 4.21Å; Y17-L33 HydrophobicContact CE2-CG 3.61Å; Y17-L33 HydrophobicContact CG-CD1 4.38Å; Y17-L33 HydrophobicContact CG-CD2 3.92Å; Y17-L33 HydrophobicContact CG-CG 4.23Å; A29-L33 PolarHBondContact O-N 2.88Å; Q30-L33 PolarHBondContact O-N 3.39Å; T31-L33 PolarHBondContact O-N 3.2Å; L33-R37 PolarHBondContact O-N 3.46Å; L33-W38 HydrophobicContact CB-CB 4.14Å; L33-W38 HydrophobicContact CD2-CB 3.73Å; L33-W38 HydrophobicContact CD2-CD2 4.45Å; L33-W38 HydrophobicContact CD2-CG 3.73Å; L33-W38 HydrophobicContact CG-CB 4.49Å; L33-W38 PolarHBondContact O-N 3.37Å; L33-I42 HydrophobicContact CD1-CD1 3.45Å; L33-I42 VanDerWaalsContact CD1-CD1 3.45Å; L33-I42 HydrophobicContact CD2-CD1 3.79Å; L33-I42 HydrophobicContact CG-CD1 4.28Å |
| 34 | S | 92.4 | Very high | 90.3 | Very high | 82 Ų | 82 | 93.5 Ų | 93.5 | 57% | 0.573 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -70.1 | -38.5 | 179.7 | 72.1 | 0 | 0 | 0 | 0 | 112.7 | Q30 T31 F32 R37 | Q30-S34 PolarHBondContact O-N 2.75Å; T31-S34 PolarHBondContact O-N 2.95Å; T31-S34 PolarHBondContact O-OG 3.4Å; F32-S34 VanDerWaalsContact C-N 3.31Å; F32-S34 PolarHBondContact O-N 3.37Å; S34-R37 PolarHBondContact O-N 3.16Å |
| 35 | E | 94.9 | Very high | 89.6 | Confident | 145 Ų | 145 | 92.9 Ų | 92.9 | 68% | 0.678 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.4 | -44.4 | 178.9 | -73.9 | 177.9 | -179.4 | 0 | 0 | 111.9 | T31 F32 R37 | T31-E35 HydrophobicContact CG2-CG 4.21Å; T31-E35 VanDerWaalsContact CG2-OE1 3.31Å; T31-E35 WeakPolarHBondContact CG2-OE1 3.36Å; T31-E35 WeakPolarHBondContact O-CG 3.16Å; T31-E35 PolarHBondContact O-N 2.94Å; F32-E35 PolarHBondContact O-N 3.32Å; E35-R37 PolarHBondContact O-N 2.69Å |
| 36 | I | 93 | Very high | 88.9 | Confident | 72 Ų | 72 | 100 Ų | 100 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | 0.7 | 178.2 | 75.2 | -173.7 | 0 | 0 | 0 | 113.4 | A13 F32 W38 | A13-I36 HydrophobicContact CB-CD1 3.94Å; F32-I36 HydrophobicContact CD1-CD1 4.22Å; F32-I36 HydrophobicContact CD2-CG2 4.27Å; F32-I36 HydrophobicContact CE1-CD1 3.73Å; F32-I36 HydrophobicContact CE2-CD1 4.39Å; F32-I36 HydrophobicContact CE2-CG2 3.95Å; F32-I36 HydrophobicContact CZ-CD1 3.83Å; F32-I36 HydrophobicContact CZ-CG2 4.34Å; F32-I36 WeakPolarHBondContact O-CG1 3.43Å; F32-I36 PolarHBondContact O-N 3.05Å; F32-I36 VanDerWaalsContact O-N 3.16Å; I36-W38 HydrophobicContact CD1-CB 4.1Å; I36-W38 HydrophobicContact CD1-CD2 4.38Å; I36-W38 HydrophobicContact CD1-CE3 3.77Å; I36-W38 HydrophobicContact CG1-CB 3.85Å; I36-W38 HydrophobicContact CG1-CE3 4.38Å |
| 37 | R | 91.7 | Very high | 88.3 | Confident | 209 Ų | 209 | 99.7 Ų | 99.7 | 79% | 0.789 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | 54.8 | -174.3 | -59.5 | -177.7 | 175.2 | -166.4 | -2 | 112.3 | L33 S34 E35 E39 | L33-R37 PolarHBondContact O-N 3.46Å; S34-R37 PolarHBondContact O-N 3.16Å; E35-R37 PolarHBondContact O-N 2.69Å; R37-E39 PolarHBondContact O-N 3.33Å |
| 38 | W | 92.3 | Very high | 87.4 | Confident | 51 Ų | 51 | 94.2 Ų | 94.2 | 19% | 0.193 | 49% | 0.492 | C | S | . | . | trans | -75.7 | 106.6 | -176.7 | -169.5 | -90.8 | 0 | 0 | 0 | 112.3 | E10 A13 L14 L33 I36 K40 | E10-W38 HydrophobicContact CB-CH2 4.19Å; E10-W38 HydrophobicContact CB-CZ3 4.37Å; E10-W38 HydrophobicContact CG-CZ3 4.5Å; E10-W38 VanDerWaalsContact O-CH2 3.3Å; E10-W38 WeakPolarHBondContact O-CH2 3.33Å; A13-W38 HydrophobicContact CB-CE3 4.3Å; A13-W38 HydrophobicContact CB-CZ3 3.86Å; L14-W38 HydrophobicContact CB-CH2 4.43Å; L14-W38 HydrophobicContact CB-CZ2 4.37Å; L14-W38 HydrophobicContact CD1-CZ2 4.45Å; L33-W38 HydrophobicContact CB-CB 4.14Å; L33-W38 HydrophobicContact CD2-CB 3.73Å; L33-W38 HydrophobicContact CD2-CD2 4.45Å; L33-W38 HydrophobicContact CD2-CG 3.73Å; L33-W38 HydrophobicContact CG-CB 4.49Å; L33-W38 PolarHBondContact O-N 3.37Å; I36-W38 HydrophobicContact CD1-CB 4.1Å; I36-W38 HydrophobicContact CD1-CD2 4.38Å; I36-W38 HydrophobicContact CD1-CE3 3.77Å; I36-W38 HydrophobicContact CG1-CB 3.85Å; I36-W38 HydrophobicContact CG1-CE3 4.38Å; W38-K40 VanDerWaalsContact CD1-O 3.23Å; W38-K40 HydrophobicContact CZ2-CB 3.93Å; W38-K40 HydrophobicContact CZ2-CD 4.46Å; W38-K40 HydrophobicContact CZ2-CG 4.44Å; W38-K40 PolarHBondContact NE1-O 2.8Å | ||
| 39 | E | 87.1 | Confident | 87 | Confident | 185 Ų | 185 | 91.5 Ų | 91.5 | 86% | 0.864 | 47% | 0.474 | S | S | * | . | trans | -101.4 | 2 | -177.9 | -66.8 | 175.9 | -174.8 | 0 | 0 | 113.9 | R37 | R37-E39 PolarHBondContact O-N 3.33Š| ||
| 40 | K | 85.9 | Confident | 86.8 | Confident | 106 Ų | 106 | 95.7 Ų | 95.7 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -95.3 | 145.5 | -174 | -50.3 | -168.2 | -171 | -165.4 | 0 | 111.9 | E10 W38 I42 | E10-K40 IonicContact OE1-NZ 2.67Å; E10-K40 PolarHBondContact OE1-NZ 3.36Å; E10-K40 IonicContact OE2-NZ 2.69Å; E10-K40 PolarHBondContact OE2-NZ 3.16Å; W38-K40 VanDerWaalsContact CD1-O 3.23Å; W38-K40 HydrophobicContact CZ2-CB 3.93Å; W38-K40 HydrophobicContact CZ2-CD 4.46Å; W38-K40 HydrophobicContact CZ2-CG 4.44Å; W38-K40 PolarHBondContact NE1-O 2.8Å; K40-I42 PolarHBondContact O-N 3.3Å |
| 41 | N | 81.6 | Confident | 86.8 | Confident | 161 Ų | 161 | 92.2 Ų | 92.2 | 86% | 0.861 | 48% | 0.477 | S | S | * | . | trans | -56.9 | 139.3 | 174.5 | -71.8 | -60.7 | 0 | 0 | 0 | 111.7 | ||||
| 42 | I | 79.3 | Confident | 86.6 | Confident | 55 Ų | 55 | 92.6 Ų | 92.6 | 28% | 0.282 | 47% | 0.474 | S | S | . | . | trans | -110.5 | 119.9 | -178 | -53 | 177.1 | 0 | 0 | 0 | 109.6 | Y17 L33 K40 L44 | Y17-I42 HydrophobicContact CD1-CD1 3.86Å; Y17-I42 HydrophobicContact CD1-CG2 3.82Å; Y17-I42 HydrophobicContact CE1-CD1 3.65Å; Y17-I42 HydrophobicContact CE1-CG2 3.79Å; Y17-I42 HydrophobicContact CG-CD1 4.44Å; L33-I42 HydrophobicContact CD1-CD1 3.45Å; L33-I42 VanDerWaalsContact CD1-CD1 3.45Å; L33-I42 HydrophobicContact CD2-CD1 3.79Å; L33-I42 HydrophobicContact CG-CD1 4.28Å; K40-I42 PolarHBondContact O-N 3.3Å; I42-L44 HydrophobicContact CG2-CD2 3.93Å; I42-L44 HydrophobicContact CG2-CG 4.4Å | ||
| 43 | T | 78.7 | Confident | 86.4 | Confident | 113 Ų | 113 | 92.5 Ų | 92.5 | 69% | 0.693 | 48% | 0.48 | S | S | * | . | trans | -102.4 | 120.9 | 168 | 53.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 44 | L | 80.1 | Confident | 86.5 | Confident | 92 Ų | 92 | 98.8 Ų | 98.8 | 48% | 0.482 | 50% | 0.502 | S | S | . | . | trans | -91.2 | 138 | 177.1 | -61.2 | 173.9 | 0 | 0 | 0 | 110.2 | Y17 E18 L21 I42 | Y17-L44 HydrophobicContact CD1-CD2 4.17Å; Y17-L44 HydrophobicContact CE1-CD2 4.01Å; E18-L44 HydrophobicContact CB-CD2 4.34Å; L21-L44 HydrophobicContact CD1-CD1 3.53Å; L21-L44 HydrophobicContact CD1-CD2 3.68Å; L21-L44 HydrophobicContact CD1-CG 4.27Å; I42-L44 HydrophobicContact CG2-CD2 3.93Å; I42-L44 HydrophobicContact CG2-CG 4.4Å | ||
| 45 | G | 77.6 | Confident | 86.6 | Confident | 41 Ų | 41 | 101.6 Ų | 101.6 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | trans | -83.5 | -176.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E18 | E18-G45 WeakPolarHBondContact OE1-CA 3.34Å; E18-G45 PolarHBondContact OE1-N 3.49Å | ||
| 46 | E | 79.7 | Confident | 86.5 | Confident | 176 Ų | 176 | 97.6 Ų | 97.6 | 82% | 0.822 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -75.9 | 146.4 | 171.1 | -70.4 | -158.7 | 152.9 | 0 | 0 | 111.7 | G49 | E46-G49 PolarHBondContact O-N 3.03Š|
| 47 | P | 79.6 | Confident | 86.5 | Confident | 96 Ų | 96 | 97.3 Ų | 97.3 | 62% | 0.623 | 49% | 0.489 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 142.2 | 172.5 | 26.3 | -34.5 | 0 | 0 | 0 | 110.8 | ||
| 48 | P | 75.6 | Confident | 86.6 | Confident | 69 Ų | 69 | 92.2 Ų | 92.2 | 45% | 0.448 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -86.1 | 4.8 | 14.1 | 34.9 | -37.4 | 0 | 0 | 0 | 115.6 | H22 H52 | H22-P48 VanDerWaalsContact ND1-C 3.28Å; H22-P48 PolarHBondContact ND1-O 2.96Å; H22-P48 VanDerWaalsContact ND1-O 3.14Å; P48-H52 HydrophobicContact CB-CB 4.35Å |
| 49 | G | 87.9 | Confident | 86.6 | Confident | 7 Ų | 7 | 95.4 Ų | 95.4 | 7% | 0.072 | 49% | 0.485 | C | S | . | . | trans | 84.1 | 168 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | E18 H22 E46 S53 | E18-G49 WeakPolarHBondContact OE2-CA 3.44Å; H22-G49 PolarHBondContact ND1-N 3.36Å; E46-G49 PolarHBondContact O-N 3.03Å; G49-S53 PolarHBondContact O-N 3.14Å; G49-S53 PolarHBondContact O-OG 3.32Å | ||
| 50 | F | 90.6 | Very high | 86.9 | Confident | 88 Ų | 88 | 88.7 Ų | 88.7 | 39% | 0.386 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.6 | -48.4 | -171.2 | 179.8 | -92 | 0 | 0 | 0 | 112.4 | Y15 E18 H52 S53 W54 | Y15-F50 HydrophobicContact CD1-CB 3.67Å; Y15-F50 AromaticContact CD1-CD1 3.77Å; Y15-F50 HydrophobicContact CD1-CD1 3.77Å; Y15-F50 AromaticContact CD1-CG 3.97Å; Y15-F50 HydrophobicContact CD1-CG 3.97Å; Y15-F50 AromaticContact CD2-CD1 3.61Å; Y15-F50 HydrophobicContact CD2-CD1 3.61Å; Y15-F50 AromaticContact CD2-CE1 3.95Å; Y15-F50 HydrophobicContact CD2-CE1 3.95Å; Y15-F50 HydrophobicContact CE1-CB 3.7Å; Y15-F50 AromaticContact CE1-CD1 3.68Å; Y15-F50 HydrophobicContact CE1-CD1 3.68Å; Y15-F50 HydrophobicContact CE1-CD2 4.45Å; Y15-F50 HydrophobicContact CE1-CE1 4.44Å; Y15-F50 AromaticContact CE1-CG 3.69Å; Y15-F50 HydrophobicContact CE1-CG 3.69Å; Y15-F50 AromaticContact CE2-CD1 3.53Å; Y15-F50 HydrophobicContact CE2-CD1 3.53Å; Y15-F50 AromaticContact CE2-CE1 3.59Å; Y15-F50 HydrophobicContact CE2-CE1 3.59Å; Y15-F50 HydrophobicContact CE2-CG 4.32Å; Y15-F50 HydrophobicContact CE2-CZ 4.42Å; Y15-F50 HydrophobicContact CG-CB 4.35Å; Y15-F50 AromaticContact CG-CD1 3.74Å; Y15-F50 HydrophobicContact CG-CD1 3.74Å; Y15-F50 HydrophobicContact CG-CG 4.4Å; Y15-F50 AromaticContact CZ-CD1 3.56Å; Y15-F50 AromaticContact CZ-CE1 3.86Å; Y15-F50 AromaticContact CZ-CG 3.88Å; E18-F50 PolarHBondContact OE2-N 3.41Å; F50-H52 PolarHBondContact O-N 2.93Å; F50-S53 PolarHBondContact O-N 3.33Å; F50-W54 AromaticContact CE1-CD1 3.83Å; F50-W54 HydrophobicContact CE1-CG 4.37Å; F50-W54 AromaticContact CE2-CD1 3.44Å; F50-W54 VanDerWaalsContact CE2-CD1 3.44Å; F50-W54 AromaticContact CE2-NE1 3.71Å; F50-W54 AromaticContact CZ-CD1 3.29Å; F50-W54 HydrophobicContact CZ-CG 4.16Å; F50-W54 AromaticContact CZ-NE1 3.6Å; F50-W54 PolarHBondContact O-N 2.92Å |
| 51 | L | 92.5 | Very high | 87.2 | Confident | 47 Ų | 47 | 86.2 Ų | 86.2 | 25% | 0.246 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | -175 | -172.2 | 60.6 | 0 | 0 | 0 | 112 | L12 V16 Y19 W55 | L12-L51 HydrophobicContact CD1-CD1 4.37Å; V16-L51 HydrophobicContact CG2-CD2 3.88Å; Y19-L51 HydrophobicContact CG-CD2 4.28Å; L51-W55 WeakPolarHBondContact O-CB 3.18Å; L51-W55 PolarHBondContact O-N 3.43Å |
| 52 | H | 90.6 | Very high | 87.6 | Confident | 76 Ų | 76 | 82.7 Ų | 82.7 | 35% | 0.352 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -64.3 | -46.9 | -178.8 | -171.8 | 76.8 | 0 | 0 | 0 | 111.2 | Y19 P48 F50 W54 W55 C56 | Y19-H52 HydrophobicContact CD2-CB 4.22Å; Y19-H52 AromaticContact CE2-ND1 3.97Å; P48-H52 HydrophobicContact CB-CB 4.35Å; F50-H52 PolarHBondContact O-N 2.93Å; H52-W54 PolarHBondContact O-N 3.04Å; H52-W55 PolarHBondContact O-N 3.37Å; H52-C56 PolarHBondContact O-N 3.27Å; H52-C56 PolarHBondContact O-SG 2.88Å; H52-C56 VanDerWaalsContact O-SG 3.32Å |
| 53 | S | 91.1 | Very high | 88.2 | Confident | 46 Ų | 46 | 80.2 Ų | 80.2 | 32% | 0.322 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -58.7 | -46.9 | 179.5 | -55 | 0 | 0 | 0 | 0 | 112.1 | G49 F50 V57 | G49-S53 PolarHBondContact O-N 3.14Å; G49-S53 PolarHBondContact O-OG 3.32Å; F50-S53 PolarHBondContact O-N 3.33Å; S53-V57 PolarHBondContact O-N 2.97Å |
| 54 | W | 94.4 | Very high | 88.6 | Confident | 158 Ų | 158 | 74.9 Ų | 74.9 | 60% | 0.598 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -69.8 | -37.8 | 177.4 | -106.5 | 99.4 | 0 | 0 | 0 | 113.1 | F50 H52 V57 F58 | F50-W54 AromaticContact CE1-CD1 3.83Å; F50-W54 HydrophobicContact CE1-CG 4.37Å; F50-W54 AromaticContact CE2-CD1 3.44Å; F50-W54 VanDerWaalsContact CE2-CD1 3.44Å; F50-W54 AromaticContact CE2-NE1 3.71Å; F50-W54 AromaticContact CZ-CD1 3.29Å; F50-W54 HydrophobicContact CZ-CG 4.16Å; F50-W54 AromaticContact CZ-NE1 3.6Å; F50-W54 PolarHBondContact O-N 2.92Å; H52-W54 PolarHBondContact O-N 3.04Å; W54-V57 PolarHBondContact O-N 3.35Å; W54-F58 WeakPolarHBondContact O-CB 3.35Å; W54-F58 PolarHBondContact O-N 3.42Å |
| 55 | W | 94.9 | Very high | 88.9 | Confident | 140 Ų | 140 | 71 Ų | 71 | 53% | 0.53 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -64.9 | -39.7 | 177.3 | -177.1 | -103.8 | 0 | 0 | 0 | 112.1 | L51 H52 F58 W59 | L51-W55 WeakPolarHBondContact O-CB 3.18Å; L51-W55 PolarHBondContact O-N 3.43Å; H52-W55 PolarHBondContact O-N 3.37Å; W55-F58 AromaticContact CE3-CD1 3.84Å; W55-F58 HydrophobicContact CE3-CD1 3.84Å; W55-F58 HydrophobicContact CE3-CE1 4.45Å; W55-F58 HydrophobicContact CH2-CD1 4.06Å; W55-F58 AromaticContact CH2-CE1 3.97Å; W55-F58 HydrophobicContact CH2-CE1 3.97Å; W55-F58 AromaticContact CZ3-CD1 3.57Å; W55-F58 HydrophobicContact CZ3-CD1 3.57Å; W55-F58 AromaticContact CZ3-CE1 3.73Å; W55-F58 HydrophobicContact CZ3-CE1 3.73Å; W55-F58 PolarHBondContact O-N 2.88Å; W55-W59 HydrophobicContact CZ2-CE3 4.16Å; W55-W59 VanDerWaalsContact O-CB 3.27Å; W55-W59 WeakPolarHBondContact O-CB 3.35Å; W55-W59 PolarHBondContact O-N 3.4Å |
| 56 | C | 92.6 | Very high | 88.9 | Confident | 61 Ų | 61 | 72 Ų | 72 | 41% | 0.412 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 174 | -72.3 | 0 | 0 | 0 | 0 | 112 | H52 W59 D60 | H52-C56 PolarHBondContact O-N 3.27Å; H52-C56 PolarHBondContact O-SG 2.88Å; H52-C56 VanDerWaalsContact O-SG 3.32Å; C56-W59 PolarHBondContact O-N 3.33Å; C56-D60 VanDerWaalsContact O-CB 3.26Å; C56-D60 WeakPolarHBondContact O-CB 3.42Å; C56-D60 PolarHBondContact O-N 2.93Å |
| 57 | V | 92.9 | Very high | 89 | Confident | 67 Ų | 67 | 70.9 Ų | 70.9 | 41% | 0.406 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | 177.5 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | S53 W54 L61 | S53-V57 PolarHBondContact O-N 2.97Å; W54-V57 PolarHBondContact O-N 3.35Å; V57-L61 WeakPolarHBondContact O-CB 2.97Å; V57-L61 PolarHBondContact O-N 3.4Å |
| 58 | F | 94.5 | Very high | 88.9 | Confident | 101 Ų | 101 | 71.4 Ų | 71.4 | 44% | 0.443 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.4 | -45.9 | 176.1 | 172.2 | -97.1 | 0 | 0 | 0 | 112 | W54 W55 L61 Y62 | W54-F58 WeakPolarHBondContact O-CB 3.35Å; W54-F58 PolarHBondContact O-N 3.42Å; W55-F58 AromaticContact CE3-CD1 3.84Å; W55-F58 HydrophobicContact CE3-CD1 3.84Å; W55-F58 HydrophobicContact CE3-CE1 4.45Å; W55-F58 HydrophobicContact CH2-CD1 4.06Å; W55-F58 AromaticContact CH2-CE1 3.97Å; W55-F58 HydrophobicContact CH2-CE1 3.97Å; W55-F58 AromaticContact CZ3-CD1 3.57Å; W55-F58 HydrophobicContact CZ3-CD1 3.57Å; W55-F58 AromaticContact CZ3-CE1 3.73Å; W55-F58 HydrophobicContact CZ3-CE1 3.73Å; W55-F58 PolarHBondContact O-N 2.88Å; F58-L61 PolarHBondContact O-N 3.43Å; F58-Y62 VanDerWaalsContact O-CB 3.24Å; F58-Y62 WeakPolarHBondContact O-CB 3.36Å; F58-Y62 PolarHBondContact O-N 3.17Å |
| 59 | W | 92.6 | Very high | 88.9 | Confident | 118 Ų | 118 | 71.6 Ų | 71.6 | 45% | 0.447 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | -179.7 | -175.9 | -99.2 | 0 | 0 | 0 | 112.2 | W55 C56 Y62 C63 | W55-W59 HydrophobicContact CZ2-CE3 4.16Å; W55-W59 VanDerWaalsContact O-CB 3.27Å; W55-W59 WeakPolarHBondContact O-CB 3.35Å; W55-W59 PolarHBondContact O-N 3.4Å; C56-W59 PolarHBondContact O-N 3.33Å; W59-Y62 AromaticContact CE3-CD1 3.9Å; W59-Y62 HydrophobicContact CE3-CD1 3.9Å; W59-Y62 HydrophobicContact CE3-CE1 4.35Å; W59-Y62 HydrophobicContact CH2-CD1 4.21Å; W59-Y62 HydrophobicContact CH2-CE1 4.06Å; W59-Y62 AromaticContact CZ3-CD1 3.71Å; W59-Y62 HydrophobicContact CZ3-CD1 3.71Å; W59-Y62 AromaticContact CZ3-CE1 3.71Å; W59-Y62 HydrophobicContact CZ3-CE1 3.71Å; W59-Y62 PolarHBondContact O-N 3.23Å; W59-C63 WeakPolarHBondContact O-CB 3.4Å; W59-C63 PolarHBondContact O-N 3.01Å |
| 60 | D | 92.7 | Very high | 88.2 | Confident | 44 Ų | 44 | 78.3 Ų | 78.3 | 24% | 0.235 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 175.9 | -172.4 | 33.4 | 0 | 0 | 0 | 111.4 | C56 Y62 C63 A64 H74 S75 A78 | C56-D60 VanDerWaalsContact O-CB 3.26Å; C56-D60 WeakPolarHBondContact O-CB 3.42Å; C56-D60 PolarHBondContact O-N 2.93Å; D60-Y62 VanDerWaalsContact C-N 3.35Å; D60-Y62 PolarHBondContact O-N 3.45Å; D60-C63 PolarHBondContact O-N 3.46Å; D60-A64 VanDerWaalsContact O-CB 3.3Å; D60-A64 WeakPolarHBondContact O-CB 3.01Å; D60-A64 PolarHBondContact O-N 3.34Å; D60-H74 WeakPolarHBondContact OD1-CA 3.49Å; D60-S75 WeakPolarHBondContact OD1-CB 3.1Å; D60-S75 PolarHBondContact OD1-N 2.91Å; D60-S75 WeakPolarHBondContact OD2-CB 3.39Å; D60-A78 HydrophobicContact CB-CB 4.41Å; D60-A78 WeakPolarHBondContact OD2-CB 3.26Å |
| 61 | L | 92.3 | Very high | 87.6 | Confident | 54 Ų | 54 | 80.4 Ų | 80.4 | 28% | 0.283 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.4 | -36.9 | 173.7 | -170.1 | 67.9 | 0 | 0 | 0 | 112.5 | V57 F58 A64 A65 F81 H82 | V57-L61 WeakPolarHBondContact O-CB 2.97Å; V57-L61 PolarHBondContact O-N 3.4Å; F58-L61 PolarHBondContact O-N 3.43Å; L61-A64 PolarHBondContact O-N 2.93Å; L61-A65 PolarHBondContact O-N 3.12Å; L61-F81 HydrophobicContact CD1-CB 4.19Å; L61-F81 HydrophobicContact CD1-CD1 3.71Å; L61-F81 HydrophobicContact CD1-CE1 4.5Å; L61-F81 HydrophobicContact CD1-CG 4.22Å; L61-H82 VanDerWaalsContact CD1-NE2 3.35Å; L61-H82 WeakPolarHBondContact CD1-NE2 3.27Å; L61-H82 PolarHBondContact O-NE2 3.29Å |
| 62 | Y | 89.8 | Confident | 86.9 | Confident | 87 Ų | 87 | 79.9 Ų | 79.9 | 34% | 0.341 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -68.4 | -37.8 | 176.7 | 176.1 | -108.1 | 0 | 0 | 0 | 112.6 | F58 W59 D60 A65 R68 | F58-Y62 VanDerWaalsContact O-CB 3.24Å; F58-Y62 WeakPolarHBondContact O-CB 3.36Å; F58-Y62 PolarHBondContact O-N 3.17Å; W59-Y62 AromaticContact CE3-CD1 3.9Å; W59-Y62 HydrophobicContact CE3-CD1 3.9Å; W59-Y62 HydrophobicContact CE3-CE1 4.35Å; W59-Y62 HydrophobicContact CH2-CD1 4.21Å; W59-Y62 HydrophobicContact CH2-CE1 4.06Å; W59-Y62 AromaticContact CZ3-CD1 3.71Å; W59-Y62 HydrophobicContact CZ3-CD1 3.71Å; W59-Y62 AromaticContact CZ3-CE1 3.71Å; W59-Y62 HydrophobicContact CZ3-CE1 3.71Å; W59-Y62 PolarHBondContact O-N 3.23Å; D60-Y62 VanDerWaalsContact C-N 3.35Å; D60-Y62 PolarHBondContact O-N 3.45Å; Y62-A65 VanDerWaalsContact O-CB 3.27Å; Y62-A65 WeakPolarHBondContact O-CB 3.5Å; Y62-A65 PolarHBondContact O-N 2.84Å; Y62-R68 VanDerWaalsContact CZ-CZ 3.47Å; Y62-R68 WeakPolarHBondContact O-CD 3.3Å; Y62-R68 VanDerWaalsContact OH-CZ 3.27Å; Y62-R68 PolarHBondContact OH-NH1 3.32Å; Y62-R68 PolarHBondContact OH-NH2 2.73Å |
| 63 | C | 90.9 | Very high | 86.4 | Confident | 4 Ų | 4 | 85.2 Ų | 85.2 | 3% | 0.027 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -74 | -32.9 | 174 | -85.8 | 0 | 0 | 0 | 0 | 113 | W59 D60 A65 R69 C72 H74 | W59-C63 WeakPolarHBondContact O-CB 3.4Å; W59-C63 PolarHBondContact O-N 3.01Å; D60-C63 PolarHBondContact O-N 3.46Å; C63-A65 PolarHBondContact O-N 3.28Å; C63-R69 VanDerWaalsContact O-CA 3.24Å; C63-R69 WeakPolarHBondContact O-CA 3.3Å; C63-R69 PolarHBondContact O-N 2.96Å; C63-C72 HydrophobicContact CB-CB 3.55Å; C63-C72 WeakPolarHBondContact CB-SG 3.34Å; C63-C72 WeakPolarHBondContact SG-CB 3.06Å; C63-C72 CovalentContact SG-SG 2.04Å; C63-C72 PolarHBondContact SG-SG 3.43Å; C63-H74 HydrophobicContact CB-CB 4.06Å |
| 64 | A | 87.4 | Confident | 86.2 | Confident | 0 Ų | 0 | 85.8 Ų | 85.8 | 0% | 0 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -6.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D60 L61 H74 A78 H82 | D60-A64 VanDerWaalsContact O-CB 3.3Å; D60-A64 WeakPolarHBondContact O-CB 3.01Å; D60-A64 PolarHBondContact O-N 3.34Å; L61-A64 PolarHBondContact O-N 2.93Å; A64-H74 HydrophobicContact CB-CB 4.01Å; A64-A78 HydrophobicContact CB-CB 3.6Å; A64-H82 PolarHBondContact O-CD2 3.45Å |
| 65 | A | 87.2 | Confident | 85.8 | Confident | 10 Ų | 10 | 80.1 Ų | 80.1 | 8% | 0.083 | 39% | 0.394 | C | S | . | . | S | Bend | trans | -58.6 | 141.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L61 Y62 C63 E67 R68 R69 | L61-A65 PolarHBondContact O-N 3.12Å; Y62-A65 VanDerWaalsContact O-CB 3.27Å; Y62-A65 WeakPolarHBondContact O-CB 3.5Å; Y62-A65 PolarHBondContact O-N 2.84Å; C63-A65 PolarHBondContact O-N 3.28Å; A65-E67 PolarHBondContact O-N 2.92Å; A65-R68 PolarHBondContact O-N 3.38Å; A65-R69 WeakPolarHBondContact O-CB 3.24Å; A65-R69 PolarHBondContact O-N 3.37Å |
| 66 | P | 77.5 | Confident | 85.3 | Confident | 62 Ų | 62 | 78 Ų | 78 | 40% | 0.403 | 40% | 0.401 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -30.8 | -172.7 | -27.7 | 35.8 | 0 | 0 | 0 | 114.9 | R68 | P66-R68 VanDerWaalsContact C-N 3.31Å; P66-R68 PolarHBondContact O-N 3Å |
| 67 | E | 80.8 | Confident | 85.1 | Confident | 153 Ų | 153 | 82.2 Ų | 82.2 | 72% | 0.715 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -9.8 | -177.9 | -47.4 | 75.3 | -164.8 | 0 | 0 | 113.5 | A65 | A65-E67 PolarHBondContact O-N 2.92Š|
| 68 | R | 78.5 | Confident | 84.8 | Confident | 108 Ų | 108 | 79.3 Ų | 79.3 | 41% | 0.408 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | -23.4 | -166.8 | -62.5 | 172.6 | -173.4 | -98.3 | 6 | 114 | Y62 A65 P66 D70 T71 C72 | Y62-R68 VanDerWaalsContact CZ-CZ 3.47Å; Y62-R68 WeakPolarHBondContact O-CD 3.3Å; Y62-R68 VanDerWaalsContact OH-CZ 3.27Å; Y62-R68 PolarHBondContact OH-NH1 3.32Å; Y62-R68 PolarHBondContact OH-NH2 2.73Å; A65-R68 PolarHBondContact O-N 3.38Å; P66-R68 VanDerWaalsContact C-N 3.31Å; P66-R68 PolarHBondContact O-N 3Å; R68-D70 PolarHBondContact O-N 2.92Å; R68-T71 PolarHBondContact O-N 3.02Å; R68-T71 PolarHBondContact O-OG1 3.34Å; R68-C72 PolarHBondContact O-N 2.04Å |
| 69 | R | 74.8 | Confident | 84.4 | Confident | 72 Ų | 72 | 78 Ų | 78 | 27% | 0.272 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -20.7 | -172 | 68.4 | -178.7 | -175.9 | -174.1 | -0.3 | 115.7 | C63 A65 T71 H74 D83 | C63-R69 VanDerWaalsContact O-CA 3.24Å; C63-R69 WeakPolarHBondContact O-CA 3.3Å; C63-R69 PolarHBondContact O-N 2.96Å; A65-R69 WeakPolarHBondContact O-CB 3.24Å; A65-R69 PolarHBondContact O-N 3.37Å; R69-T71 VanDerWaalsContact C-N 3.26Å; R69-T71 PolarHBondContact O-N 3.05Å; R69-H74 PolarHBondContact O-CE1 3.37Å; R69-D83 IonicContact CZ-OD1 3.88Å; R69-D83 IonicContact NH1-OD1 2.77Å; R69-D83 PolarHBondContact NH1-OD1 3.05Å; R69-D83 IonicContact NH1-OD2 3.97Å |
| 70 | D | 73.7 | Confident | 84.1 | Confident | 149 Ų | 149 | 74 Ų | 74 | 80% | 0.797 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -7.5 | 175.9 | -57 | -27.9 | 0 | 0 | 0 | 113 | R68 | R68-D70 PolarHBondContact O-N 2.92Š|
| 71 | T | 77.7 | Confident | 83.8 | Confident | 131 Ų | 131 | 77.9 Ų | 77.9 | 80% | 0.804 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.1 | -15.8 | -174.8 | 64.7 | 0 | 0 | 0 | 0 | 115.1 | R68 R69 | R68-T71 PolarHBondContact O-N 3.02Å; R68-T71 PolarHBondContact O-OG1 3.34Å; R69-T71 VanDerWaalsContact C-N 3.26Å; R69-T71 PolarHBondContact O-N 3.05Å |
| 72 | C | 78.3 | Confident | 83.5 | Confident | 36 Ų | 36 | 77.5 Ų | 77.5 | 24% | 0.243 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -123.4 | 136.3 | -179.5 | -173 | 0 | 0 | 0 | 0 | 111.1 | C63 R68 H74 | C63-C72 HydrophobicContact CB-CB 3.55Å; C63-C72 WeakPolarHBondContact CB-SG 3.34Å; C63-C72 WeakPolarHBondContact SG-CB 3.06Å; C63-C72 CovalentContact SG-SG 2.04Å; C63-C72 PolarHBondContact SG-SG 3.43Å; R68-C72 PolarHBondContact O-N 2.04Å; C72-H74 PolarHBondContact O-ND1 3.4Å |
| 73 | E | 79.2 | Confident | 83.2 | Confident | 188 Ų | 188 | 76.1 Ų | 76.1 | 88% | 0.879 | 39% | 0.394 | S | S | * | . | trans | -63.7 | 134.7 | 168.7 | -67.2 | -168.5 | 154.8 | 0 | 0 | 110.4 | ||||
| 74 | H | 87.3 | Confident | 82.6 | Confident | 58 Ų | 58 | 84.4 Ų | 84.4 | 27% | 0.269 | 43% | 0.426 | S | S | . | . | trans | -152.7 | 157.9 | -174.9 | 59.6 | -82.2 | 0 | 0 | 0 | 111 | D60 C63 A64 R69 C72 | D60-H74 WeakPolarHBondContact OD1-CA 3.49Å; C63-H74 HydrophobicContact CB-CB 4.06Å; A64-H74 HydrophobicContact CB-CB 4.01Å; R69-H74 PolarHBondContact O-CE1 3.37Å; C72-H74 PolarHBondContact O-ND1 3.4Å | ||
| 75 | S | 86.2 | Confident | 81.9 | Confident | 39 Ų | 39 | 87.3 Ų | 87.3 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | trans | -72.5 | 147.6 | 178.9 | -174.5 | 0 | 0 | 0 | 0 | 112.4 | D60 E77 A78 K79 | D60-S75 WeakPolarHBondContact OD1-CB 3.1Å; D60-S75 PolarHBondContact OD1-N 2.91Å; D60-S75 WeakPolarHBondContact OD2-CB 3.39Å; S75-E77 PolarHBondContact O-N 3.28Å; S75-E77 PolarHBondContact OG-N 3.48Å; S75-A78 PolarHBondContact O-N 2.95Å; S75-K79 PolarHBondContact O-N 3.33Å | ||
| 76 | S | 83.9 | Confident | 80.8 | Confident | 97 Ų | 97 | 89.6 Ų | 89.6 | 68% | 0.678 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.8 | -27.8 | 169.4 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | A80 | S76-A80 WeakPolarHBondContact O-CB 3.31Å; S76-A80 PolarHBondContact O-N 3.33Å |
| 77 | E | 88.3 | Confident | 80 | Confident | 148 Ų | 148 | 90.6 Ų | 90.6 | 69% | 0.692 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -70 | -46.1 | 176.3 | -64.3 | -178.8 | 167.7 | 0 | 0 | 111.4 | S75 A80 F81 | S75-E77 PolarHBondContact O-N 3.28Å; S75-E77 PolarHBondContact OG-N 3.48Å; E77-A80 PolarHBondContact O-N 2.76Å; E77-F81 PolarHBondContact O-N 3.44Å |
| 78 | A | 87.1 | Confident | 78.9 | Confident | 7 Ų | 7 | 87.2 Ų | 87.2 | 6% | 0.058 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.9 | -39.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D60 A64 S75 F81 H82 | D60-A78 HydrophobicContact CB-CB 4.41Å; D60-A78 WeakPolarHBondContact OD2-CB 3.26Å; A64-A78 HydrophobicContact CB-CB 3.6Å; S75-A78 PolarHBondContact O-N 2.95Å; A78-F81 PolarHBondContact O-N 3.35Å; A78-H82 PolarHBondContact O-N 2.89Å |
| 79 | K | 85.9 | Confident | 77.2 | Confident | 74 Ų | 74 | 84.5 Ų | 84.5 | 32% | 0.322 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 172.3 | -173.2 | 179.1 | -178.9 | -63 | 0 | 111.8 | S75 F81 H82 D83 | S75-K79 PolarHBondContact O-N 3.33Å; K79-F81 VanDerWaalsContact C-N 3.3Å; K79-F81 PolarHBondContact O-N 3.48Å; K79-H82 PolarHBondContact O-N 3.36Å; K79-D83 IonicContact NZ-OD1 3.91Å; K79-D83 IonicContact NZ-OD2 2.63Å; K79-D83 PolarHBondContact NZ-OD2 2.86Å; K79-D83 PolarHBondContact O-N 3.46Å |
| 80 | A | 86.1 | Confident | 75.6 | Confident | 34 Ų | 34 | 87 Ų | 87 | 28% | 0.281 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S76 E77 H82 D83 Y84 | S76-A80 WeakPolarHBondContact O-CB 3.31Å; S76-A80 PolarHBondContact O-N 3.33Å; E77-A80 PolarHBondContact O-N 2.76Å; A80-H82 PolarHBondContact O-N 3.23Å; A80-D83 PolarHBondContact O-N 2.85Å; A80-Y84 HydrophobicContact CB-CD2 4.27Å; A80-Y84 HydrophobicContact CB-CE2 4.23Å; A80-Y84 WeakPolarHBondContact O-CB 3.39Å; A80-Y84 WeakPolarHBondContact O-CD2 3.48Å; A80-Y84 PolarHBondContact O-N 2.86Å |
| 81 | F | 87.6 | Confident | 73.7 | Confident | 125 Ų | 125 | 84.3 Ų | 84.3 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -45.3 | 177.6 | -170.2 | -87.3 | 0 | 0 | 0 | 112.8 | L61 E77 A78 K79 S85 | L61-F81 HydrophobicContact CD1-CB 4.19Å; L61-F81 HydrophobicContact CD1-CD1 3.71Å; L61-F81 HydrophobicContact CD1-CE1 4.5Å; L61-F81 HydrophobicContact CD1-CG 4.22Å; E77-F81 PolarHBondContact O-N 3.44Å; A78-F81 PolarHBondContact O-N 3.35Å; K79-F81 VanDerWaalsContact C-N 3.3Å; K79-F81 PolarHBondContact O-N 3.48Å; F81-S85 VanDerWaalsContact O-CB 3.31Å; F81-S85 WeakPolarHBondContact O-CB 3.35Å; F81-S85 PolarHBondContact O-N 3.03Å; F81-S85 PolarHBondContact O-OG 2.96Å |
| 82 | H | 86.2 | Confident | 72.3 | Confident | 45 Ų | 45 | 84.3 Ų | 84.3 | 21% | 0.208 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -66.6 | -46.3 | 173.9 | -79.5 | -65.4 | 0 | 0 | 0 | 112.4 | L61 A64 A78 K79 A80 Y84 S85 A86 | L61-H82 VanDerWaalsContact CD1-NE2 3.35Å; L61-H82 WeakPolarHBondContact CD1-NE2 3.27Å; L61-H82 PolarHBondContact O-NE2 3.29Å; A64-H82 PolarHBondContact O-CD2 3.45Å; A78-H82 PolarHBondContact O-N 2.89Å; K79-H82 PolarHBondContact O-N 3.36Å; A80-H82 PolarHBondContact O-N 3.23Å; H82-Y84 VanDerWaalsContact C-N 3.33Å; H82-Y84 PolarHBondContact O-N 3.28Å; H82-S85 PolarHBondContact O-N 3.33Å; H82-A86 WeakPolarHBondContact O-CB 3.24Å; H82-A86 PolarHBondContact O-N 2.63Å |
| 83 | D | 81.7 | Confident | 70.8 | Confident | 59 Ų | 59 | 88.5 Ų | 88.5 | 32% | 0.316 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.4 | -38.7 | -179.6 | -70.4 | -25.8 | 0 | 0 | 0 | 111.5 | R69 K79 A80 A87 | R69-D83 IonicContact CZ-OD1 3.88Å; R69-D83 IonicContact NH1-OD1 2.77Å; R69-D83 PolarHBondContact NH1-OD1 3.05Å; R69-D83 IonicContact NH1-OD2 3.97Å; K79-D83 IonicContact NZ-OD1 3.91Å; K79-D83 IonicContact NZ-OD2 2.63Å; K79-D83 PolarHBondContact NZ-OD2 2.86Å; K79-D83 PolarHBondContact O-N 3.46Å; A80-D83 PolarHBondContact O-N 2.85Å; D83-A87 VanDerWaalsContact O-CB 3.29Å; D83-A87 WeakPolarHBondContact O-CB 3.27Å; D83-A87 PolarHBondContact O-N 3.2Å |
| 84 | Y | 78.6 | Confident | 69.1 | Low | 177 Ų | 177 | 86.1 Ų | 86.1 | 69% | 0.694 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -70.9 | -37.7 | 174.4 | -78.2 | -58.2 | 0 | 0 | 0 | 112.9 | A80 H82 A87 A88 | A80-Y84 HydrophobicContact CB-CD2 4.27Å; A80-Y84 HydrophobicContact CB-CE2 4.23Å; A80-Y84 WeakPolarHBondContact O-CB 3.39Å; A80-Y84 WeakPolarHBondContact O-CD2 3.48Å; A80-Y84 PolarHBondContact O-N 2.86Å; H82-Y84 VanDerWaalsContact C-N 3.33Å; H82-Y84 PolarHBondContact O-N 3.28Å; Y84-A87 PolarHBondContact O-N 2.86Å; Y84-A88 VanDerWaalsContact O-CB 3.27Å; Y84-A88 WeakPolarHBondContact O-CB 3.47Å; Y84-A88 PolarHBondContact O-N 3.35Å |
| 85 | S | 73.5 | Confident | 67.2 | Low | 61 Ų | 61 | 86.6 Ų | 86.6 | 43% | 0.427 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.5 | -36.4 | 176.1 | -67.8 | 0 | 0 | 0 | 0 | 111.7 | F81 H82 A88 A89 | F81-S85 VanDerWaalsContact O-CB 3.31Å; F81-S85 WeakPolarHBondContact O-CB 3.35Å; F81-S85 PolarHBondContact O-N 3.03Å; F81-S85 PolarHBondContact O-OG 2.96Å; H82-S85 PolarHBondContact O-N 3.33Å; S85-A88 PolarHBondContact O-N 3.31Å; S85-A89 PolarHBondContact O-N 3.24Å |
| 86 | A | 64.6 | Low | 65.2 | Low | 59 Ų | 59 | 92.4 Ų | 92.4 | 49% | 0.488 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.5 | -38 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | H82 A88 A89 | H82-A86 WeakPolarHBondContact O-CB 3.24Å; H82-A86 PolarHBondContact O-N 2.63Å; A86-A88 VanDerWaalsContact C-N 3.34Å; A86-A89 PolarHBondContact O-N 2.77Å |
| 87 | A | 59.8 | Low | 63.3 | Low | 82 Ų | 82 | 94.6 Ų | 94.6 | 68% | 0.678 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.7 | -23.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | D83 Y84 | D83-A87 VanDerWaalsContact O-CB 3.29Å; D83-A87 WeakPolarHBondContact O-CB 3.27Å; D83-A87 PolarHBondContact O-N 3.2Å; Y84-A87 PolarHBondContact O-N 2.86Å |
| 88 | A | 57 | Low | 61 | Low | 83 Ų | 83 | 92.5 Ų | 92.5 | 69% | 0.686 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -85.4 | -12.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y84 S85 A86 | Y84-A88 VanDerWaalsContact O-CB 3.27Å; Y84-A88 WeakPolarHBondContact O-CB 3.47Å; Y84-A88 PolarHBondContact O-N 3.35Å; S85-A88 PolarHBondContact O-N 3.31Å; A86-A88 VanDerWaalsContact C-N 3.34Å |
| 89 | A | 43.5 | Very low | 59.1 | Low | 50 Ų | 50 | 98.6 Ų | 98.6 | 41% | 0.413 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -71.6 | 129.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S85 A86 S91 | S85-A89 PolarHBondContact O-N 3.24Å; A86-A89 PolarHBondContact O-N 2.77Å; A89-S91 PolarHBondContact O-N 3.43Å |
| 90 | P | 41 | Very low | 57.1 | Low | 124 Ų | 124 | 101.7 Ų | 101.7 | 81% | 0.805 | 62% | 0.624 | S | S | * | * | trans | -66 | 100.2 | 172.9 | 27.2 | -32.8 | 0 | 0 | 0 | 108.9 | ||||
| 91 | S | 35.3 | Very low | 55 | Low | 93 Ų | 93 | 106.8 Ų | 106.8 | 65% | 0.65 | 65% | 0.647 | S | S | * | * | trans | -61.2 | 130.1 | 177.4 | -79.1 | 0 | 0 | 0 | 0 | 109.7 | A89 V93 | A89-S91 PolarHBondContact O-N 3.43Å; S91-V93 PolarHBondContact O-N 2.95Å | ||
| 92 | P | 46.6 | Very low | 52.6 | Low | 132 Ų | 132 | 104.3 Ų | 104.3 | 86% | 0.857 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -73.8 | 16.7 | -178.8 | 31.6 | -36.5 | 0 | 0 | 0 | 113.6 | ||
| 93 | V | 48.2 | Very low | 50.6 | Low | 123 Ų | 123 | 110.8 Ų | 110.8 | 75% | 0.745 | 69% | 0.689 | S | S | * | * | trans | -111.7 | 62.8 | -176 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | S91 | S91-V93 PolarHBondContact O-N 2.95Š| ||
| 94 | L | 43 | Very low | 48.6 | Very low | 138 Ų | 138 | 114 Ų | 114 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | trans | -162.6 | 107.4 | 135.3 | -142.2 | 67.8 | 0 | 0 | 0 | 110.5 | I97 | L94-I97 HydrophobicContact CD2-CD1 4.47Š| ||
| 95 | G | 47.9 | Very low | 46.9 | Very low | 68 Ų | 68 | 108.8 Ų | 108.8 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | trans | -69.3 | 148 | 160.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 96 | N | 44 | Very low | 45.3 | Very low | 162 Ų | 162 | 108.8 Ų | 108.8 | 87% | 0.866 | 72% | 0.723 | S | S | * | * | trans | 80 | 70 | 160 | -147.8 | 68.9 | 0 | 0 | 0 | 118.4 | ||||
| 97 | I | 43.2 | Very low | 44.4 | Very low | 143 Ų | 143 | 112.1 Ų | 112.1 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -128.2 | 128.5 | 151.8 | -59.8 | 179.8 | 0 | 0 | 0 | 108 | L94 | L94-I97 HydrophobicContact CD2-CD1 4.47Š| ||
| 98 | P | 39.3 | Very low | 44 | Very low | 104 Ų | 104 | 115 Ų | 115 | 68% | 0.675 | 74% | 0.742 | S | S | * | * | trans | -75.1 | 154.4 | -178.5 | 30.8 | -35.3 | 0 | 0 | 0 | 112.7 | N100 | P98-N100 PolarHBondContact O-N 3.04Å; P98-N100 VanDerWaalsContact O-N 3.17Å | ||
| 99 | P | 47 | Very low | 43.4 | Very low | 134 Ų | 134 | 115.7 Ų | 115.7 | 87% | 0.87 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -87.1 | 88.5 | -171.7 | 34.5 | -34.9 | 0 | 0 | 0 | 112.6 | ||
| 100 | N | 45.4 | Very low | 43.4 | Very low | 139 Ų | 139 | 120.2 Ų | 120.2 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | trans | -153.1 | 166 | 153.9 | -152.8 | 45.2 | 0 | 0 | 0 | 111.1 | P98 | P98-N100 PolarHBondContact O-N 3.04Å; P98-N100 VanDerWaalsContact O-N 3.17Å | ||
| 101 | D | 41.3 | Very low | 43.8 | Very low | 141 Ų | 141 | 116.3 Ų | 116.3 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | S | Bend | trans | 79.8 | 77.5 | 170.6 | -51.9 | -31.5 | 0 | 0 | 0 | 117.9 | ||
| 102 | G | 37 | Very low | 44.4 | Very low | 74 Ų | 74 | 120.1 Ų | 120.1 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | 76.7 | 98.3 | 123.5 | 0 | 0 | 0 | 0 | 0 | 119.4 | P104 | G102-P104 WeakPolarHBondContact O-CD 3.29Š| |||
| 103 | M | 43.8 | Very low | 44 | Very low | 181 Ų | 181 | 122.6 Ų | 122.6 | 89% | 0.892 | 75% | 0.75 | S | S | * | * | trans | -65.3 | 130.7 | 159.8 | -60.9 | 171.3 | 74.6 | 0 | 0 | 111.4 | ||||
| 104 | P | 39.9 | Very low | 43.8 | Very low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | trans | -88.3 | 95.3 | 148.9 | 32.4 | -25.6 | 0 | 0 | 0 | 108.1 | G102 G106 | G102-P104 WeakPolarHBondContact O-CD 3.29Å; P104-G106 PolarHBondContact O-N 3.48Å | ||
| 105 | G | 43.7 | Very low | 43.6 | Very low | 68 Ų | 68 | 122.2 Ų | 122.2 | 70% | 0.701 | 75% | 0.745 | S | S | * | * | trans | -65.9 | 93.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 106 | G | 39.4 | Very low | 43.5 | Very low | 61 Ų | 61 | 127.4 Ų | 127.4 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 135 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | P104 I108 | P104-G106 PolarHBondContact O-N 3.48Å; G106-I108 PolarHBondContact O-N 3.35Å |
| 107 | P | 45.4 | Very low | 43.6 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 126.8 | -179.5 | 26.5 | -33.4 | 0 | 0 | 0 | 110.8 | ||
| 108 | I | 53 | Low | 43.1 | Very low | 142 Ų | 142 | 125.1 Ų | 125.1 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -61 | 124.9 | 171.4 | -57.6 | 171 | 0 | 0 | 0 | 107.8 | G106 | G106-I108 PolarHBondContact O-N 3.35Š|
| 109 | P | 43.8 | Very low | 43.1 | Very low | 99 Ų | 99 | 125.2 Ų | 125.2 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 132.8 | 178.1 | 25.5 | -33 | 0 | 0 | 0 | 110.2 | G111 | P109-G111 VanDerWaalsContact C-N 3.28Å; P109-G111 PolarHBondContact O-N 3.02Å |
| 110 | P | 44 | Very low | 43 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 94% | 0.942 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | 82.8 | -179.3 | 30.2 | -34.6 | 0 | 0 | 0 | 110.4 | ||
| 111 | G | 48.9 | Very low | 42.4 | Very low | 41 Ų | 41 | 134 Ų | 134 | 42% | 0.423 | 75% | 0.751 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -170.5 | -10.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P109 F113 Q114 | P109-G111 VanDerWaalsContact C-N 3.28Å; P109-G111 PolarHBondContact O-N 3.02Å; G111-F113 PolarHBondContact O-N 2.95Å; G111-F113 VanDerWaalsContact O-N 3.16Å; G111-Q114 PolarHBondContact O-N 3.37Å |
| 112 | F | 47.4 | Very low | 42.3 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -18.5 | -176.8 | -167.9 | -102.6 | 0 | 0 | 0 | 114.8 | ||
| 113 | F | 38.3 | Very low | 42.7 | Very low | 185 Ų | 185 | 132.3 Ų | 132.3 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 59.7 | 173 | -72.6 | -83.6 | 0 | 0 | 0 | 111.5 | G111 | G111-F113 PolarHBondContact O-N 2.95Å; G111-F113 VanDerWaalsContact O-N 3.16Å |
| 114 | Q | 43.6 | Very low | 42.3 | Very low | 151 Ų | 151 | 127 Ų | 127 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | trans | -74.2 | 141.4 | 151.3 | -66.7 | -61.3 | -69.4 | 0 | 0 | 108.3 | G111 F116 | G111-Q114 PolarHBondContact O-N 3.37Å; Q114-F116 PolarHBondContact O-N 2.82Å | ||
| 115 | P | 39.3 | Very low | 42.2 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 66% | 0.656 | 75% | 0.751 | S | S | * | * | trans | -58.8 | 136.5 | 170.6 | 25.9 | -32.7 | 0 | 0 | 0 | 109.1 | M117 | P115-M117 PolarHBondContact O-N 3.4Š| ||
| 116 | F | 46.3 | Very low | 42.3 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 78% | 0.781 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -73 | 40.4 | -177.8 | -162.8 | -100 | 0 | 0 | 0 | 112.6 | Q114 | Q114-F116 PolarHBondContact O-N 2.82Š|
| 117 | M | 46.5 | Very low | 42.3 | Very low | 149 Ų | 149 | 137 Ų | 137 | 73% | 0.734 | 76% | 0.762 | S | S | * | * | trans | -144.4 | 65.6 | -172.5 | -78.8 | -74.9 | 151 | 0 | 0 | 108.3 | P115 P119 | P115-M117 PolarHBondContact O-N 3.4Å; M117-P119 WeakPolarHBondContact O-CD 3.32Å | ||
| 118 | S | 31.6 | Very low | 42.2 | Very low | 107 Ų | 107 | 136.9 Ų | 136.9 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | -73.2 | 120.8 | 154.3 | -71.9 | 0 | 0 | 0 | 0 | 107.4 | R120 | S118-R120 PolarHBondContact O-N 3.23Å; S118-R120 VanDerWaalsContact O-N 3.08Å | ||
| 119 | P | 39.5 | Very low | 41.8 | Very low | 107 Ų | 107 | 137.6 Ų | 137.6 | 70% | 0.695 | 76% | 0.764 | S | S | * | * | trans | -59.5 | 118.2 | 170.2 | -17.6 | 30.4 | 0 | 0 | 0 | 107.8 | M117 Y121 | M117-P119 WeakPolarHBondContact O-CD 3.32Å; P119-Y121 HydrophobicContact CB-CD2 4.24Å; P119-Y121 PolarHBondContact O-N 3.43Å | ||
| 120 | R | 44.1 | Very low | 41.6 | Very low | 247 Ų | 247 | 144.5 Ų | 144.5 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | trans | -73.1 | 78 | 168.3 | -69.9 | -170.8 | -175 | -108.1 | 4.3 | 107.6 | S118 | S118-R120 PolarHBondContact O-N 3.23Å; S118-R120 VanDerWaalsContact O-N 3.08Å | ||
| 121 | Y | 33.1 | Very low | 41.1 | Very low | 211 Ų | 211 | 146.5 Ų | 146.5 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | trans | -56.3 | 149.6 | -178.2 | -127.3 | -88.6 | 0 | 0 | 0 | 111 | P119 | P119-Y121 HydrophobicContact CB-CD2 4.24Å; P119-Y121 PolarHBondContact O-N 3.43Å | ||
| 122 | A | 40.2 | Very low | 40.5 | Very low | 93 Ų | 93 | 147.9 Ų | 147.9 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -60.4 | 146.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 123 | G | 43.8 | Very low | 40.7 | Very low | 86 Ų | 86 | 147.7 Ų | 147.7 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 92.3 | 90.4 | 161.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 124 | G | 37.1 | Very low | 40.7 | Very low | 68 Ų | 68 | 148 Ų | 148 | 70% | 0.701 | 80% | 0.802 | S | S | * | * | trans | -163.3 | 132.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 125 | P | 36.5 | Very low | 40.5 | Very low | 135 Ų | 135 | 146.4 Ų | 146.4 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 130.1 | -174.9 | 29.8 | -33.7 | 0 | 0 | 0 | 111.7 | ||
| 126 | R | 46.2 | Very low | 40.8 | Very low | 225 Ų | 225 | 148 Ų | 148 | 85% | 0.849 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 137 | 179.8 | -169.5 | 175.7 | -179.9 | 167.8 | -0.1 | 110.7 | ||
| 127 | P | 39.1 | Very low | 40.7 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 70% | 0.695 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 141.2 | 174.9 | 28.9 | -34.5 | 0 | 0 | 0 | 110.9 | ||
| 128 | P | 43.9 | Very low | 40.1 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 134.9 | 179.4 | 30.6 | -33.5 | 0 | 0 | 0 | 111.7 | ||
| 129 | I | 44.1 | Very low | 40.8 | Very low | 157 Ų | 157 | 141.9 Ų | 141.9 | 81% | 0.805 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 130.7 | 172 | -67.3 | 179.5 | 0 | 0 | 0 | 109.1 | ||
| 130 | R | 40 | Very low | 40.8 | Very low | 245 Ų | 245 | 143.1 Ų | 143.1 | 93% | 0.925 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 120.8 | 173.3 | -77.5 | -171.8 | 173.7 | -149.5 | 0.1 | 110.6 | ||
| 131 | M | 34.1 | Very low | 40.4 | Very low | 187 Ų | 187 | 134.9 Ų | 134.9 | 92% | 0.921 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -102.2 | 157.7 | 158 | -157.8 | 62.2 | 171.2 | 0 | 0 | 109 | ||
| 132 | G | 36.7 | Very low | 40.6 | Very low | 70 Ų | 70 | 131.7 Ų | 131.7 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -68.3 | 161.5 | -161.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||
| 133 | N | 49.7 | Very low | 40.4 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 90% | 0.898 | 83% | 0.833 | S | S | * | * | trans | 62.4 | 85.4 | 170.5 | -82.3 | 16.2 | 0 | 0 | 0 | 119.4 | ||||
| 134 | Q | 40.2 | Very low | 40.7 | Very low | 193 Ų | 193 | 137 Ų | 137 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -153.5 | 148.7 | 143.4 | -107.4 | -176.6 | -58.3 | 0 | 0 | 111.5 | ||||
| 135 | P | 38.7 | Very low | 40.8 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 75% | 0.753 | 83% | 0.832 | S | S | * | * | trans | -80.4 | 163.2 | -178.1 | 34 | -35 | 0 | 0 | 0 | 112.9 | ||||
| 136 | P | 44.3 | Very low | 41 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 87% | 0.87 | 83% | 0.83 | S | S | * | * | trans | -92.2 | 135.9 | -163 | 34.4 | -34.4 | 0 | 0 | 0 | 115 | ||||
| 137 | G | 44.4 | Very low | 41.3 | Very low | 83 Ų | 83 | 137.1 Ų | 137.1 | 86% | 0.856 | 82% | 0.824 | S | S | * | * | trans | 154.1 | 121.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 138 | G | 35.5 | Very low | 41 | Very low | 79 Ų | 79 | 139.6 Ų | 139.6 | 81% | 0.814 | 83% | 0.831 | S | S | * | * | trans | 136.2 | 104.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 139 | V | 45.2 | Very low | 40.6 | Very low | 144 Ų | 144 | 138.5 Ų | 138.5 | 87% | 0.873 | 83% | 0.826 | S | S | * | * | trans | -110.1 | 136.1 | 162.1 | -77.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 140 | P | 39.9 | Very low | 40.4 | Very low | 134 Ų | 134 | 140 Ų | 140 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | -144.5 | 167.9 | 122 | 35.8 | -20.6 | 0 | 0 | 0 | 111.6 | |||||
| 141 | G | 34.8 | Very low | 40.7 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 75% | 0.753 | 82% | 0.823 | S | S | * | * | cis | 158.4 | 139.3 | 4.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 142 | T | 37.2 | Very low | 41.2 | Very low | 145 Ų | 145 | 131.2 Ų | 131.2 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | trans | -87.6 | 166.8 | -167.6 | 43.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 143 | Q | 36 | Very low | 41.7 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | trans | -28.3 | 155.5 | 172.7 | -73.8 | -94.7 | -22.1 | 0 | 0 | 119 | ||||
| 144 | P | 51.9 | Low | 41.2 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 82% | 0.816 | S | S | * | * | trans | -87.6 | 157.2 | -170.8 | 36.7 | -36.3 | 0 | 0 | 0 | 114.9 | ||||
| 145 | L | 37.8 | Very low | 41.3 | Very low | 160 Ų | 160 | 136.8 Ų | 136.8 | 84% | 0.838 | 81% | 0.813 | S | S | * | * | trans | -120.7 | 127.6 | 171.7 | -71.1 | 171 | 0 | 0 | 0 | 111.4 | ||||
| 146 | L | 41.4 | Very low | 41.2 | Very low | 160 Ų | 160 | 140.8 Ų | 140.8 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | 33.3 | 141.3 | 148.2 | -61.8 | 167.2 | 0 | 0 | 0 | 122.4 | ||||
| 147 | P | 52.1 | Low | 40.7 | Very low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | trans | -93.8 | 179.3 | 176.3 | 39.7 | -36.6 | 0 | 0 | 0 | 114.5 | ||||
| 148 | N | 32.4 | Very low | 40.7 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | trans | 78 | 141.3 | -177.5 | -73.9 | 9.3 | 0 | 0 | 0 | 115 | ||||
| 149 | S | 36 | Very low | 41.4 | Very low | 100 Ų | 100 | 144.8 Ų | 144.8 | 70% | 0.699 | 81% | 0.814 | S | S | * | * | cis | -166 | 160.7 | 7.1 | 35.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 150 | M | 41 | Very low | 41.1 | Very low | 190 Ų | 190 | 144.1 Ų | 144.1 | 94% | 0.936 | 81% | 0.806 | S | S | * | * | trans | 75.6 | 138.1 | 157.7 | -76.2 | 174.3 | 169 | 0 | 0 | 120.7 | ||||
| 151 | D | 45.1 | Very low | 41.2 | Very low | 136 Ų | 136 | 145.9 Ų | 145.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -86.6 | 144.8 | -179.7 | 159.5 | 43 | 0 | 0 | 0 | 112.3 | T153 | D151-T153 PolarHBondContact OD1-N 3.19Š| ||
| 152 | P | 45.8 | Very low | 41.4 | Very low | 111 Ų | 111 | 146.3 Ų | 146.3 | 72% | 0.721 | 81% | 0.809 | S | S | * | * | trans | -134.5 | 95.6 | 151 | 36.2 | -20.4 | 0 | 0 | 0 | 114.1 | R154 | P152-R154 PolarHBondContact O-N 2.89Š| ||
| 153 | T | 45.8 | Very low | 41.8 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 72% | 0.724 | 81% | 0.805 | S | S | * | * | trans | 10.2 | 103 | 135.2 | 49.1 | 0 | 0 | 0 | 0 | 118.2 | D151 | D151-T153 PolarHBondContact OD1-N 3.19Š| ||
| 154 | R | 40 | Very low | 41.8 | Very low | 250 Ų | 250 | 139.9 Ų | 139.9 | 94% | 0.943 | 80% | 0.802 | S | S | * | * | trans | -159 | 132 | 144.2 | -127.9 | 175.5 | 179.8 | -178.2 | -0.9 | 113.1 | P152 | P152-R154 PolarHBondContact O-N 2.89Š| ||
| 155 | Q | 42.7 | Very low | 41.2 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 84% | 0.841 | 81% | 0.808 | S | S | * | * | trans | -84.2 | 178.1 | 174 | -66.7 | -171.3 | 5.7 | 0 | 0 | 112.6 | ||||
| 156 | Q | 36 | Very low | 41.5 | Very low | 199 Ų | 199 | 142.3 Ų | 142.3 | 93% | 0.93 | 80% | 0.802 | S | S | * | * | trans | 90.2 | 125.3 | 171.3 | -53.9 | -178.9 | -4.3 | 0 | 0 | 114.7 | ||||
| 157 | G | 33.3 | Very low | 41.3 | Very low | 73 Ų | 73 | 144.6 Ų | 144.6 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | -177.6 | 165.2 | -4.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 158 | H | 45.3 | Very low | 40.5 | Very low | 193 Ų | 193 | 146.8 Ų | 146.8 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | trans | -106.8 | 147.5 | 174.7 | -72.9 | -83.6 | 0 | 0 | 0 | 111.9 | ||||
| 159 | P | 50.7 | Low | 41.3 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | trans | -120.1 | 128.7 | 130.4 | 13.3 | 6.1 | 0 | 0 | 0 | 109 | ||||
| 160 | N | 38.1 | Very low | 42 | Very low | 129 Ų | 129 | 145.8 Ų | 145.8 | 69% | 0.69 | 79% | 0.794 | S | S | * | * | 61.2 | 125.6 | 61.9 | -150.3 | 48 | 0 | 0 | 0 | 111.3 | |||||
| 161 | M | 43 | Very low | 42.8 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | cis | -161.4 | 156.6 | 15.6 | -154.3 | 165.8 | -142.4 | 0 | 0 | 110.1 | ||||
| 162 | G | 37.8 | Very low | 43.2 | Very low | 82 Ų | 82 | 147.7 Ų | 147.7 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | trans | 160.1 | 74.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 163 | G | 45 | Very low | 42.7 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -114.5 | 148.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 164 | S | 37 | Very low | 42.4 | Very low | 111 Ų | 111 | 149 Ų | 149 | 78% | 0.776 | 81% | 0.805 | S | S | * | * | trans | 175.1 | 141.1 | 157.9 | 53.7 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 165 | M | 39.7 | Very low | 42.4 | Very low | 173 Ų | 173 | 140.2 Ų | 140.2 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | cis | -139.4 | 153.9 | 7.2 | -61.6 | -178 | -175.2 | 0 | 0 | 111.7 | ||||
| 166 | Q | 42.9 | Very low | 43.1 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 70% | 0.701 | 79% | 0.79 | S | S | * | * | trans | 1 | 121.5 | 134 | -58.1 | -174.2 | 4.4 | 0 | 0 | 115.8 | ||||
| 167 | R | 36.9 | Very low | 43.2 | Very low | 207 Ų | 207 | 137.3 Ų | 137.3 | 78% | 0.781 | 79% | 0.791 | S | S | * | * | 173.6 | 165.5 | 69.8 | -96.5 | 133.2 | -160.9 | -96.8 | 3 | 106.9 | |||||
| 168 | M | 36.9 | Very low | 43.4 | Very low | 157 Ų | 157 | 137 Ų | 137 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | cis | -169.5 | 159.2 | -16.1 | 173.4 | 166.7 | 175 | 0 | 0 | 107.3 | ||||
| 169 | N | 47.5 | Very low | 43.7 | Very low | 141 Ų | 141 | 134.5 Ų | 134.5 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -125.5 | 131.8 | 174.2 | -176.8 | 12.6 | 0 | 0 | 0 | 109.6 | ||||
| 170 | P | 51.7 | Low | 42.9 | Very low | 97 Ų | 97 | 132.6 Ų | 132.6 | 63% | 0.63 | 79% | 0.79 | S | S | * | * | -151.1 | 176 | 128.2 | 41.2 | -25.7 | 0 | 0 | 0 | 114.1 | |||||
| 171 | P | 58 | Low | 43.4 | Very low | 114 Ų | 114 | 131.5 Ų | 131.5 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | cis | -137.6 | 173.3 | -48.2 | 39.9 | -24.7 | 0 | 0 | 0 | 113.3 | ||||
| 172 | R | 53 | Low | 43.2 | Very low | 252 Ų | 252 | 132.1 Ų | 132.1 | 95% | 0.951 | 79% | 0.791 | S | S | * | * | trans | -84.3 | 126.7 | 163.2 | -170.1 | -179.7 | -172.9 | 119.9 | -4.8 | 109.4 | ||||
| 173 | G | 36.4 | Very low | 42.8 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -110.3 | 105.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 174 | M | 38.1 | Very low | 42.4 | Very low | 185 Ų | 185 | 141.3 Ų | 141.3 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | 25.7 | 121.4 | 141.9 | -68 | 165.4 | 70.4 | 0 | 0 | 120.8 | ||||
| 175 | G | 40.5 | Very low | 42.4 | Very low | 65 Ų | 65 | 139.5 Ų | 139.5 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -85.7 | -163.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 176 | P | 56.7 | Low | 42.3 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | cis | -126.1 | 175.9 | -4.5 | 41.9 | -28.3 | 0 | 0 | 0 | 113.2 | ||||
| 177 | M | 39.7 | Very low | 42.2 | Very low | 194 Ų | 194 | 133.5 Ų | 133.5 | 96% | 0.956 | 79% | 0.788 | S | S | * | * | trans | -169.5 | 136 | 152.2 | -113.5 | 177.7 | -107.8 | 0 | 0 | 111.9 | ||||
| 178 | G | 36.5 | Very low | 42.3 | Very low | 68 Ų | 68 | 133 Ų | 133 | 70% | 0.701 | 80% | 0.797 | S | S | * | * | trans | -114 | -154.2 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 179 | P | 51.9 | Low | 43.4 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 90% | 0.903 | 80% | 0.803 | S | S | * | * | cis | -123.9 | 169.7 | -18.8 | 39.5 | -25.5 | 0 | 0 | 0 | 113 | ||||
| 180 | G | 34.7 | Very low | 43.4 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -175.1 | 154.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 181 | P | 48.2 | Very low | 43.4 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | trans | -126.4 | -175.3 | -157.4 | 40.6 | -23.7 | 0 | 0 | 0 | 116.6 | ||||
| 182 | Q | 37.4 | Very low | 43.2 | Very low | 185 Ų | 185 | 136.3 Ų | 136.3 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | 75.7 | 151.7 | 165.2 | -60 | 148.2 | -24.4 | 0 | 0 | 117 | ||||
| 183 | N | 31.1 | Very low | 42.6 | Very low | 134 Ų | 134 | 132.5 Ų | 132.5 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | cis | -169.6 | 171.9 | -24.1 | -178.7 | 28.8 | 0 | 0 | 0 | 107.9 | ||||
| 184 | Y | 35.3 | Very low | 42.6 | Very low | 219 Ų | 219 | 133.9 Ų | 133.9 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | 107.5 | 121.4 | 163.4 | -76.9 | -88.3 | 0 | 0 | 0 | 119.1 | ||||
| 185 | G | 38.2 | Very low | 42.6 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | trans | 119.7 | 79.2 | 137.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 186 | S | 37.8 | Very low | 42.3 | Very low | 131 Ų | 131 | 133.7 Ų | 133.7 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -47.8 | 144.6 | 151.4 | -45.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 187 | G | 39.8 | Very low | 41.8 | Very low | 66 Ų | 66 | 134.2 Ų | 134.2 | 68% | 0.68 | 81% | 0.812 | S | S | * | * | cis | 123.6 | 164.5 | 42 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 188 | M | 39.8 | Very low | 41.6 | Very low | 197 Ų | 197 | 130 Ų | 130 | 97% | 0.97 | 81% | 0.808 | S | S | * | * | trans | 73.3 | 133.5 | 173.9 | -53.3 | -64.1 | -177.6 | 0 | 0 | 119.1 | ||||
| 189 | R | 58.5 | Low | 41.9 | Very low | 236 Ų | 236 | 135 Ų | 135 | 89% | 0.891 | 82% | 0.815 | S | S | * | * | trans | -111.7 | 134.2 | 169.5 | 172 | -167.7 | -176.1 | -126.8 | 4.9 | 108.5 | ||||
| 190 | P | 48.9 | Very low | 41.4 | Very low | 112 Ų | 112 | 134.7 Ų | 134.7 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -151.1 | -166 | 135.4 | 38.3 | -18.6 | 0 | 0 | 0 | 112.7 | ||||
| 191 | P | 51.9 | Low | 41.5 | Very low | 115 Ų | 115 | 134.3 Ų | 134.3 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | -125.4 | -177.2 | -73.8 | 40.5 | -24.6 | 0 | 0 | 0 | 113 | |||||
| 192 | P | 52.3 | Low | 41.3 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -103.4 | 161.6 | -172.6 | 38 | -33.2 | 0 | 0 | 0 | 117.2 | ||||
| 193 | N | 41.6 | Very low | 41.2 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 91% | 0.914 | 81% | 0.814 | S | S | * | * | trans | 70.3 | 125.4 | 162.3 | -97 | 24.5 | 0 | 0 | 0 | 121.7 | ||||
| 194 | S | 35.2 | Very low | 41.7 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 71% | 0.706 | 82% | 0.821 | S | S | * | * | trans | -170.8 | 114.7 | 158.1 | 169.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 195 | L | 38 | Very low | 41.8 | Very low | 171 Ų | 171 | 130.4 Ų | 130.4 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | trans | 41.1 | 140.9 | 151.3 | -61.6 | 104.3 | 0 | 0 | 0 | 123.8 | ||||
| 196 | G | 34.2 | Very low | 41.9 | Very low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | trans | -90.4 | -150.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 197 | P | 47.6 | Very low | 41.9 | Very low | 135 Ų | 135 | 130.9 Ų | 130.9 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | cis | -136.3 | 165 | 6.4 | 42.4 | -25.9 | 0 | 0 | 0 | 116.9 | ||||
| 198 | A | 34.9 | Very low | 42.3 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | trans | -167 | 138.6 | 153.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 199 | M | 41.8 | Very low | 42 | Very low | 173 Ų | 173 | 127.5 Ų | 127.5 | 85% | 0.852 | 82% | 0.819 | S | S | * | * | trans | -145.8 | 143.4 | 169.4 | -103.3 | -109.9 | -169 | 0 | 0 | 105.9 | ||||
| 200 | P | 42 | Very low | 41.2 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 86% | 0.864 | 82% | 0.819 | S | S | * | * | -148.3 | 162 | 72.1 | 38.7 | -20.5 | 0 | 0 | 0 | 116.4 | |||||
| 201 | G | 37 | Very low | 41.1 | Very low | 67 Ų | 67 | 128.2 Ų | 128.2 | 69% | 0.691 | 82% | 0.824 | S | S | * | * | trans | 157.3 | 106.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 202 | I | 44.6 | Very low | 40.4 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | trans | -96.9 | 126.9 | -171.9 | -63.7 | 153.8 | 0 | 0 | 0 | 110.8 | ||||
| 203 | N | 34.8 | Very low | 40.1 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 83% | 0.834 | S | S | * | * | trans | -155.4 | 152.5 | 136.5 | -145.8 | -12.1 | 0 | 0 | 0 | 113.3 | ||||
| 204 | M | 41.2 | Very low | 40 | Very low | 179 Ų | 179 | 132.9 Ų | 132.9 | 88% | 0.882 | 83% | 0.825 | S | S | * | * | trans | -60.8 | 148.6 | -163 | -59.2 | 165.7 | -178 | 0 | 0 | 117.2 | ||||
| 205 | G | 36.5 | Very low | 40.3 | Very low | 68 Ų | 68 | 133.2 Ų | 133.2 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | 152.5 | 94.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | G207 | G205-G207 PolarHBondContact O-N 3.44Å; G205-G207 VanDerWaalsContact O-N 3.1Å | ||
| 206 | P | 41.2 | Very low | 40.2 | Very low | 139 Ų | 139 | 132.9 Ų | 132.9 | 90% | 0.903 | 82% | 0.824 | S | S | * | * | trans | -76.1 | 101.5 | -177.9 | 29.4 | -33.3 | 0 | 0 | 0 | 113.4 | ||||
| 207 | G | 38.8 | Very low | 40.1 | Very low | 74 Ų | 74 | 134.9 Ų | 134.9 | 76% | 0.763 | 83% | 0.826 | S | S | * | * | 51.9 | 112.2 | 126.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | G205 | G205-G207 PolarHBondContact O-N 3.44Å; G205-G207 VanDerWaalsContact O-N 3.1Å | |||
| 208 | A | 46.8 | Very low | 39.8 | Very low | 117 Ų | 117 | 132.9 Ų | 132.9 | 97% | 0.967 | 82% | 0.821 | S | S | * | * | trans | -68.8 | 137.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 209 | G | 33.9 | Very low | 39.8 | Very low | 76 Ų | 76 | 135.8 Ų | 135.8 | 78% | 0.784 | 82% | 0.821 | S | S | * | * | trans | -140.4 | 94.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 210 | R | 41.4 | Very low | 39.5 | Very low | 234 Ų | 234 | 133 Ų | 133 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | -23.6 | 133.9 | 176.6 | -58.7 | 168.1 | -178.4 | -83.4 | -3 | 117.8 | ||||
| 211 | P | 48 | Very low | 39.4 | Very low | 129 Ų | 129 | 132.7 Ų | 132.7 | 84% | 0.838 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 152.2 | 164.7 | 34.3 | -33.2 | 0 | 0 | 0 | 112.6 | ||
| 212 | W | 36 | Very low | 39.5 | Very low | 245 Ų | 245 | 135.2 Ų | 135.2 | 93% | 0.928 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 153.6 | 171.8 | -73.4 | 83.8 | 0 | 0 | 0 | 111.6 | N214 | W212-N214 PolarHBondContact O-N 3.39Š|
| 213 | P | 46.9 | Very low | 38.8 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 117 | -173.4 | 29.4 | -34.2 | 0 | 0 | 0 | 112.5 | ||
| 214 | N | 39.8 | Very low | 38.8 | Very low | 134 Ų | 134 | 135.3 Ų | 135.3 | 72% | 0.717 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 131.7 | 168.6 | -173.2 | 70.6 | 0 | 0 | 0 | 109.9 | W212 | W212-N214 PolarHBondContact O-N 3.39Š|
| 215 | P | 41.2 | Very low | 38.5 | Very low | 108 Ų | 108 | 132.1 Ų | 132.1 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 131.7 | 175.1 | 28.5 | -32.5 | 0 | 0 | 0 | 111.2 | S217 | P215-S217 PolarHBondContact O-N 3.46Š|
| 216 | N | 34.6 | Very low | 38.5 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 119.5 | -179.2 | -80.9 | -16.9 | 0 | 0 | 0 | 112.5 | ||
| 217 | S | 33.4 | Very low | 38.1 | Very low | 116 Ų | 116 | 133.2 Ų | 133.2 | 81% | 0.811 | 81% | 0.805 | S | S | * | * | trans | -108 | 93.7 | 154.6 | 35.9 | 0 | 0 | 0 | 0 | 109.2 | P215 N219 | P215-S217 PolarHBondContact O-N 3.46Å; S217-N219 PolarHBondContact O-N 3.15Å | ||
| 218 | A | 41.2 | Very low | 38.4 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -76.7 | 107.4 | 175 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 219 | N | 34.4 | Very low | 37.9 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | trans | -163 | 81.1 | 159.5 | -96.2 | -28.6 | 0 | 0 | 0 | 109.3 | S217 | S217-N219 PolarHBondContact O-N 3.15Š| ||
| 220 | S | 35.6 | Very low | 38.4 | Very low | 115 Ų | 115 | 137.2 Ų | 137.2 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -111.2 | 118 | 165.2 | -174.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 221 | I | 40.6 | Very low | 38.1 | Very low | 127 Ų | 127 | 136.9 Ų | 136.9 | 65% | 0.651 | 81% | 0.806 | S | S | * | * | trans | -90.9 | 116.3 | 175.4 | -61.3 | 171.8 | 0 | 0 | 0 | 107 | Y223 | I221-Y223 HydrophobicContact CG2-CD2 4.23Å; I221-Y223 HydrophobicContact CG2-CE2 4.1Å; I221-Y223 PolarHBondContact O-N 3.48Å | ||
| 222 | P | 38.8 | Very low | 37.9 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -77.5 | 103.2 | 176.3 | 30.7 | -32.1 | 0 | 0 | 0 | 109.7 | S224 | P222-S224 PolarHBondContact O-N 2.88Š| ||
| 223 | Y | 30.7 | Very low | 38.1 | Very low | 211 Ų | 211 | 128 Ų | 128 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -74.5 | 113.2 | 166.2 | -88.9 | -82.2 | 0 | 0 | 0 | 110.3 | I221 | I221-Y223 HydrophobicContact CG2-CD2 4.23Å; I221-Y223 HydrophobicContact CG2-CE2 4.1Å; I221-Y223 PolarHBondContact O-N 3.48Å | ||
| 224 | S | 33.2 | Very low | 38.1 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 16.8 | 118.1 | 159.1 | -56 | 0 | 0 | 0 | 0 | 119.6 | P222 | P222-S224 PolarHBondContact O-N 2.88Š| ||
| 225 | S | 36.1 | Very low | 38.6 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 136.4 | 161.6 | 51.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 226 | S | 36.7 | Very low | 38.6 | Very low | 124 Ų | 124 | 127.3 Ų | 127.3 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 125.1 | 154.5 | -67.8 | 0 | 0 | 0 | 0 | 109.6 | ||
| 227 | S | 33.2 | Very low | 38.9 | Very low | 106 Ų | 106 | 123.3 Ų | 123.3 | 74% | 0.741 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 154.8 | -177.7 | -60.5 | 0 | 0 | 0 | 0 | 113.3 | G229 | S227-G229 PolarHBondContact O-N 3.05Š|
| 228 | P | 44.7 | Very low | 39.8 | Very low | 133 Ų | 133 | 122.2 Ų | 122.2 | 86% | 0.864 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 121.3 | -175.8 | 30.7 | -34 | 0 | 0 | 0 | 112.2 | ||
| 229 | G | 36 | Very low | 40.3 | Very low | 78 Ų | 78 | 120.7 Ų | 120.7 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | trans | -111.7 | 113.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S227 Y231 | S227-G229 PolarHBondContact O-N 3.05Å; G229-Y231 PolarHBondContact O-N 2.97Å | ||
| 230 | T | 44.3 | Very low | 41.2 | Very low | 140 Ų | 140 | 118.8 Ų | 118.8 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -68.3 | 117.8 | 174.2 | -58.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 231 | Y | 34 | Very low | 41.9 | Very low | 226 Ų | 226 | 119.8 Ų | 119.8 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | trans | -140 | 133.7 | 161 | -155.9 | -96.9 | 0 | 0 | 0 | 111 | G229 | G229-Y231 PolarHBondContact O-N 2.97Š| ||
| 232 | V | 45.3 | Very low | 42.4 | Very low | 129 Ų | 129 | 117.4 Ų | 117.4 | 78% | 0.782 | 81% | 0.811 | S | S | * | * | trans | -94.7 | 128.8 | -173.5 | 175 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 233 | G | 39.2 | Very low | 42.6 | Very low | 60 Ų | 60 | 117.4 Ų | 117.4 | 62% | 0.619 | 81% | 0.81 | S | S | * | * | trans | -139.5 | 159.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 234 | P | 46.4 | Very low | 43.4 | Very low | 128 Ų | 128 | 113.4 Ų | 113.4 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | trans | -76.6 | 160.3 | -147.5 | 28.4 | -36.4 | 0 | 0 | 0 | 116.2 | ||||
| 235 | P | 52 | Low | 44.3 | Very low | 134 Ų | 134 | 115.9 Ų | 115.9 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -88.8 | 144.2 | -167.9 | 34.8 | -35.5 | 0 | 0 | 0 | 114.3 | ||||
| 236 | G | 40.9 | Very low | 44.9 | Very low | 85 Ų | 85 | 117.6 Ų | 117.6 | 88% | 0.876 | 81% | 0.81 | S | S | * | * | trans | 134.9 | 129.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 237 | G | 40.2 | Very low | 46 | Very low | 81 Ų | 81 | 117.1 Ų | 117.1 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | trans | 125.2 | 74 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G239 | G237-G239 PolarHBondContact O-N 2.79Š| ||
| 238 | G | 52.5 | Low | 46.4 | Very low | 93 Ų | 93 | 116.9 Ų | 116.9 | 96% | 0.959 | 80% | 0.802 | S | S | * | * | trans | -73.4 | 121.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 239 | G | 52.2 | Low | 46.4 | Very low | 61 Ų | 61 | 116.5 Ų | 116.5 | 63% | 0.629 | 80% | 0.8 | S | S | * | * | trans | -129.1 | 153.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | G237 | G237-G239 PolarHBondContact O-N 2.79Š| ||
| 240 | P | 51.9 | Low | 46.7 | Very low | 124 Ų | 124 | 116.9 Ų | 116.9 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | trans | -68.7 | 149 | -175 | 28.5 | -34.9 | 0 | 0 | 0 | 112.4 | ||||
| 241 | P | 50.8 | Low | 46.9 | Very low | 137 Ų | 137 | 118 Ų | 118 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -79.7 | 130.9 | -175 | 32 | -33.9 | 0 | 0 | 0 | 111.5 | ||
| 242 | G | 50.9 | Low | 47.1 | Very low | 76 Ų | 76 | 112.3 Ų | 112.3 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | 148.1 | -4.3 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 243 | T | 44.3 | Very low | 47.4 | Very low | 120 Ų | 120 | 112.2 Ų | 112.2 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | trans | -122.8 | 131.6 | 178.4 | 52.8 | 0 | 0 | 0 | 0 | 112.3 | I245 | T243-I245 PolarHBondContact O-N 3.48Š| ||
| 244 | P | 46.1 | Very low | 47.5 | Very low | 127 Ų | 127 | 116.9 Ų | 116.9 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -72.1 | 115.6 | 170.3 | 29.1 | -31.3 | 0 | 0 | 0 | 109 | M246 | P244-M246 PolarHBondContact O-N 2.88Š| ||
| 245 | I | 51.7 | Low | 47.3 | Very low | 159 Ų | 159 | 115.2 Ų | 115.2 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | trans | -72.2 | 101 | 174.6 | -59 | 174.5 | 0 | 0 | 0 | 108 | T243 | T243-I245 PolarHBondContact O-N 3.48Š| ||
| 246 | M | 50.6 | Low | 47.3 | Very low | 149 Ų | 149 | 114.6 Ų | 114.6 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 131.3 | 163.7 | -170.7 | -178.1 | 76.2 | 0 | 0 | 108 | P244 S248 | P244-M246 PolarHBondContact O-N 2.88Å; M246-S248 PolarHBondContact O-N 2.99Å; M246-S248 VanDerWaalsContact O-N 3.15Å |
| 247 | P | 59.1 | Low | 47.7 | Very low | 113 Ų | 113 | 116 Ų | 116 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 116.1 | 174.2 | 27.1 | -32.3 | 0 | 0 | 0 | 109.1 | ||
| 248 | S | 40.4 | Very low | 48.1 | Very low | 101 Ų | 101 | 119.5 Ų | 119.5 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 139.4 | 166.9 | -61.3 | 0 | 0 | 0 | 0 | 109.4 | M246 A250 | M246-S248 PolarHBondContact O-N 2.99Å; M246-S248 VanDerWaalsContact O-N 3.15Å; S248-A250 PolarHBondContact O-N 2.9Å |
| 249 | P | 46.1 | Very low | 48 | Very low | 126 Ų | 126 | 122.4 Ų | 122.4 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -61.4 | 109 | 169 | -18.3 | 31.3 | 0 | 0 | 0 | 108.7 | ||||
| 250 | A | 42.5 | Very low | 47.5 | Very low | 86 Ų | 86 | 130.1 Ų | 130.1 | 71% | 0.711 | 78% | 0.781 | S | S | * | * | trans | -76.9 | 137.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | S248 S252 | S248-A250 PolarHBondContact O-N 2.9Å; A250-S252 PolarHBondContact O-N 3.17Å | ||
| 251 | D | 47.2 | Very low | 47.2 | Very low | 162 Ų | 162 | 129.5 Ų | 129.5 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | -52.4 | 130.3 | -179.8 | -58.2 | -77.6 | 0 | 0 | 0 | 111.8 | ||||
| 252 | S | 39 | Very low | 46.8 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | trans | -148.6 | 87.6 | 173.5 | -77.8 | 0 | 0 | 0 | 0 | 110.3 | A250 N254 | A250-S252 PolarHBondContact O-N 3.17Å; S252-N254 PolarHBondContact O-N 3.47Å; S252-N254 VanDerWaalsContact O-N 3.1Å | ||
| 253 | T | 51.8 | Low | 46.5 | Very low | 127 Ų | 127 | 135.6 Ų | 135.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -41.7 | 104.5 | 172.1 | -45.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 254 | N | 41.2 | Very low | 46.5 | Very low | 159 Ų | 159 | 137.3 Ų | 137.3 | 85% | 0.85 | 78% | 0.781 | S | S | * | * | trans | -143 | 123.7 | 155.6 | -84.2 | -67.3 | 0 | 0 | 0 | 108.7 | S252 | S252-N254 PolarHBondContact O-N 3.47Å; S252-N254 VanDerWaalsContact O-N 3.1Å | ||
| 255 | S | 41.3 | Very low | 46.1 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 65% | 0.65 | 77% | 0.774 | S | S | * | * | trans | -85.6 | 163.9 | -155.5 | -58.5 | 0 | 0 | 0 | 0 | 115.6 | D257 | S255-D257 WeakPolarHBondContact CB-OD2 3.27Å; S255-D257 PolarHBondContact O-N 3.28Å | ||
| 256 | S | 51.6 | Low | 45.6 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 84% | 0.839 | 77% | 0.771 | S | S | * | * | trans | -92.9 | 49.4 | -165.2 | 53.6 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 257 | D | 51 | Low | 45.5 | Very low | 114 Ų | 114 | 133 Ų | 133 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | trans | -104.5 | 5.9 | -162.4 | -62.7 | -55.5 | 0 | 0 | 0 | 116.6 | S255 | S255-D257 WeakPolarHBondContact CB-OD2 3.27Å; S255-D257 PolarHBondContact O-N 3.28Å | ||
| 258 | N | 47.8 | Very low | 44.8 | Very low | 156 Ų | 156 | 134 Ų | 134 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -103.4 | 6.1 | -171.3 | -88.2 | -24.4 | 0 | 0 | 0 | 116.9 | ||
| 259 | I | 49.6 | Very low | 44.6 | Very low | 154 Ų | 154 | 133.1 Ų | 133.1 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -112 | -12.8 | -174.4 | -63.1 | -173.1 | 0 | 0 | 0 | 114.3 | ||
| 260 | Y | 41.8 | Very low | 44 | Very low | 223 Ų | 223 | 131 Ų | 131 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -113.4 | 2.7 | -172.3 | -90.4 | -76.8 | 0 | 0 | 0 | 117.6 | ||
| 261 | T | 46.4 | Very low | 43.6 | Very low | 110 Ų | 110 | 132.2 Ų | 132.2 | 68% | 0.675 | 79% | 0.79 | S | S | * | * | trans | -111.7 | 11.5 | -167.3 | -22 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 262 | M | 42.2 | Very low | 43.1 | Very low | 183 Ų | 183 | 135.6 Ų | 135.6 | 90% | 0.901 | 79% | 0.791 | S | S | * | * | trans | -90.8 | 9.5 | 178.6 | -73 | -165.4 | -72.4 | 0 | 0 | 115.2 | ||||
| 263 | I | 45.2 | Very low | 43.1 | Very low | 159 Ų | 159 | 135.6 Ų | 135.6 | 82% | 0.815 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -101.7 | 102.9 | 164.6 | -65.6 | 175.7 | 0 | 0 | 0 | 108 | P265 | I263-P265 VanDerWaalsContact O-CD 3.3Å; I263-P265 WeakPolarHBondContact O-CD 3.2Å |
| 264 | N | 43.2 | Very low | 42.1 | Very low | 155 Ų | 155 | 137 Ų | 137 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | trans | -61.8 | 127.4 | -166.2 | -172.1 | 51.6 | 0 | 0 | 0 | 115.4 | ||||
| 265 | P | 37.5 | Very low | 41.7 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | trans | -131.7 | 117.4 | 158.8 | 30.8 | -10.4 | 0 | 0 | 0 | 113.5 | I263 | I263-P265 VanDerWaalsContact O-CD 3.3Å; I263-P265 WeakPolarHBondContact O-CD 3.2Å | ||
| 266 | V | 41.7 | Very low | 42.8 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | trans | 18.3 | 121.8 | 146.7 | -175 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 267 | P | 48.4 | Very low | 41.9 | Very low | 119 Ų | 119 | 142.1 Ų | 142.1 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | trans | -70.8 | 141.3 | 167.7 | -13.3 | 28.5 | 0 | 0 | 0 | 112.9 | G269 | P267-G269 PolarHBondContact O-N 3.36Š| ||
| 268 | P | 44.8 | Very low | 41.5 | Very low | 133 Ų | 133 | 140 Ų | 140 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -85.6 | 116.1 | -174.3 | 31.4 | -34.2 | 0 | 0 | 0 | 114.9 | ||||
| 269 | G | 36.3 | Very low | 41.6 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 86.6 | 96.4 | 131.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | P267 | P267-G269 PolarHBondContact O-N 3.36Š| ||
| 270 | G | 33.8 | Very low | 40.8 | Very low | 83 Ų | 83 | 135.1 Ų | 135.1 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | trans | -157 | 101.7 | 163 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 271 | S | 34.1 | Very low | 40.9 | Very low | 110 Ų | 110 | 129.6 Ų | 129.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -96.4 | 135.5 | -162.3 | -46.2 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 272 | R | 36.6 | Very low | 40.6 | Very low | 234 Ų | 234 | 132.4 Ų | 132.4 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | 155.3 | 107.6 | 123.5 | -84.2 | 170.7 | -172.9 | -144.3 | 1.1 | 115.2 | |||||
| 273 | S | 38.6 | Very low | 40.4 | Very low | 107 Ų | 107 | 127.1 Ų | 127.1 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | 26.7 | 127.4 | 128.8 | 59.4 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 274 | N | 30.8 | Very low | 40.4 | Very low | 155 Ų | 155 | 126.2 Ų | 126.2 | 83% | 0.829 | 80% | 0.804 | S | S | * | * | trans | 94.3 | 134.4 | 138.9 | -148.3 | 63.9 | 0 | 0 | 0 | 120.9 | ||||
| 275 | F | 33 | Very low | 40.7 | Very low | 188 Ų | 188 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | -63.8 | 176.9 | 173.5 | -62.7 | -88.2 | 0 | 0 | 0 | 113.6 | ||||
| 276 | P | 63.8 | Low | 40.7 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 73% | 0.734 | 82% | 0.819 | S | S | * | * | cis | -138.3 | 179.8 | 6.6 | 40.8 | -21.9 | 0 | 0 | 0 | 117.1 | ||||
| 277 | M | 34 | Very low | 40.5 | Very low | 180 Ų | 180 | 124.5 Ų | 124.5 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | 142.7 | 128.6 | 137.8 | -74.4 | -146.8 | -69.3 | 0 | 0 | 113.9 | ||||
| 278 | G | 41.6 | Very low | 40.1 | Very low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -88.5 | -159 | 155.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 279 | P | 49.7 | Very low | 39.7 | Very low | 143 Ų | 143 | 125.8 Ų | 125.8 | 93% | 0.929 | 82% | 0.823 | S | S | * | * | cis | -128.6 | -173.6 | 5.5 | 42.4 | -26.5 | 0 | 0 | 0 | 113.9 | ||||
| 280 | G | 34 | Very low | 39.8 | Very low | 64 Ų | 64 | 125.3 Ų | 125.3 | 66% | 0.66 | 82% | 0.818 | S | S | * | * | trans | 145.2 | 92.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 281 | S | 42.2 | Very low | 39.9 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | 71.4 | 93.7 | 80.9 | 71.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 282 | D | 40.8 | Very low | 39.8 | Very low | 168 Ų | 168 | 134 Ų | 134 | 90% | 0.898 | 83% | 0.826 | S | S | * | * | -170.1 | 136.6 | 119.7 | -87.3 | -26.4 | 0 | 0 | 0 | 110.4 | |||||
| 283 | G | 37.3 | Very low | 40.5 | Very low | 73 Ų | 73 | 126.7 Ų | 126.7 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | trans | -91.3 | -161.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 284 | P | 46.5 | Very low | 40.7 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 91% | 0.909 | 81% | 0.811 | S | S | * | * | cis | -117.3 | 175 | 25.2 | 38.3 | -26.1 | 0 | 0 | 0 | 115.7 | ||||
| 285 | M | 48.2 | Very low | 41 | Very low | 198 Ų | 198 | 131.7 Ų | 131.7 | 98% | 0.975 | 82% | 0.815 | S | S | * | * | trans | -113 | 153.7 | -157.8 | -162.2 | -169.6 | -150.3 | 0 | 0 | 113.4 | ||||
| 286 | G | 38.3 | Very low | 41.7 | Very low | 81 Ų | 81 | 132 Ų | 132 | 84% | 0.835 | 82% | 0.822 | S | S | * | * | trans | 153 | 115.1 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 287 | G | 37.1 | Very low | 40.3 | Very low | 66 Ų | 66 | 134.9 Ų | 134.9 | 68% | 0.68 | 83% | 0.831 | S | S | * | * | cis | -176.7 | 176.6 | -4.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 288 | M | 41.1 | Very low | 40.3 | Very low | 201 Ų | 201 | 129 Ų | 129 | 99% | 0.99 | 82% | 0.817 | S | S | * | * | trans | 68.7 | 127.2 | 176.5 | -54.4 | 166.9 | 71.2 | 0 | 0 | 116.3 | ||||
| 289 | G | 36.1 | Very low | 40.1 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 82% | 0.819 | S | S | * | * | cis | 150.2 | 105.1 | -13.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 290 | G | 37.3 | Very low | 39.8 | Very low | 71 Ų | 71 | 132.5 Ų | 132.5 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | 69.7 | 149.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 291 | M | 36.6 | Very low | 39.8 | Very low | 195 Ų | 195 | 133.3 Ų | 133.3 | 96% | 0.961 | 83% | 0.827 | S | S | * | * | cis | -148.4 | 155.5 | -4.3 | -89.2 | 110.3 | 164.6 | 0 | 0 | 110.5 | ||||
| 292 | E | 33 | Very low | 39.9 | Very low | 180 Ų | 180 | 133.5 Ų | 133.5 | 84% | 0.841 | 83% | 0.829 | S | S | * | * | trans | -103.9 | -172.9 | 177.8 | -155.8 | 169.7 | 138.2 | 0 | 0 | 108.9 | ||||
| 293 | P | 49.5 | Very low | 39.9 | Very low | 82 Ų | 82 | 129 Ų | 129 | 53% | 0.532 | 82% | 0.822 | S | S | . | * | -128.2 | -170.7 | -73.3 | 43.5 | -32.4 | 0 | 0 | 0 | 116.4 | |||||
| 294 | H | 43.3 | Very low | 40.4 | Very low | 167 Ų | 167 | 132.1 Ų | 132.1 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | trans | 61.8 | 123.9 | 147.9 | -58.9 | -41.2 | 0 | 0 | 0 | 122.1 | ||||
| 295 | H | 38.7 | Very low | 41 | Very low | 199 Ų | 199 | 133.2 Ų | 133.2 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | trans | -134.5 | 145.1 | 150.4 | -44.5 | -42.1 | 0 | 0 | 0 | 110.1 | ||||
| 296 | M | 46.8 | Very low | 41 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 96% | 0.961 | 81% | 0.813 | S | S | * | * | trans | -140.9 | 117.1 | -179.1 | -173.2 | 165.9 | -175.2 | 0 | 0 | 110.4 | ||||
| 297 | N | 35.3 | Very low | 40.9 | Very low | 173 Ų | 173 | 131.1 Ų | 131.1 | 93% | 0.925 | 81% | 0.808 | S | S | * | * | trans | -173.9 | 147.5 | 174.9 | -151 | 5.3 | 0 | 0 | 0 | 106.7 | ||||
| 298 | G | 33.3 | Very low | 41.4 | Very low | 58 Ų | 58 | 136.3 Ų | 136.3 | 60% | 0.598 | 82% | 0.819 | S | S | * | * | cis | 171.1 | 121.8 | 1 | 0 | 0 | 0 | 0 | 0 | 105 | ||||
| 299 | S | 37.9 | Very low | 41.8 | Very low | 109 Ų | 109 | 131.9 Ų | 131.9 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | 75.4 | 130.6 | 95.4 | -153.9 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 300 | L | 43 | Very low | 41.9 | Very low | 175 Ų | 175 | 138 Ų | 138 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | 79.9 | 136.3 | 164.8 | -47.7 | -177.7 | 0 | 0 | 0 | 120.5 | ||||
| 301 | G | 33.6 | Very low | 42.1 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | 152.7 | 96.5 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 302 | S | 43.7 | Very low | 41.9 | Very low | 113 Ų | 113 | 138 Ų | 138 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -81.6 | 165.2 | 174.4 | -146 | 0 | 0 | 0 | 0 | 112.8 | D304 | S302-D304 PolarHBondContact OG-OD2 3.2Š| ||
| 303 | G | 41.7 | Very low | 42.4 | Very low | 73 Ų | 73 | 135.4 Ų | 135.4 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -170.6 | 45.4 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | I305 | G303-I305 PolarHBondContact O-N 3.15Š| ||
| 304 | D | 47.8 | Very low | 41.9 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 74% | 0.743 | 82% | 0.821 | S | S | * | * | trans | -72.4 | 111.9 | 177.8 | -43.1 | -92.2 | 0 | 0 | 0 | 111.5 | S302 | S302-D304 PolarHBondContact OG-OD2 3.2Š| ||
| 305 | I | 58.1 | Low | 41.7 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 84% | 0.836 | 82% | 0.821 | S | S | * | * | trans | -140.1 | 110 | 162.9 | -61.5 | -174.6 | 0 | 0 | 0 | 110 | G303 | G303-I305 PolarHBondContact O-N 3.15Š| ||
| 306 | D | 49 | Very low | 42 | Very low | 164 Ų | 164 | 136.1 Ų | 136.1 | 88% | 0.877 | 82% | 0.815 | S | S | * | * | trans | -68.3 | 144.6 | 168.8 | -75 | -64.5 | 0 | 0 | 0 | 112.5 | ||||
| 307 | G | 36.7 | Very low | 41.6 | Very low | 71 Ų | 71 | 132.7 Ų | 132.7 | 73% | 0.732 | 81% | 0.81 | S | S | * | * | trans | -175.8 | 54.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 308 | L | 47.3 | Very low | 42.2 | Very low | 174 Ų | 174 | 127.5 Ų | 127.5 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | 73.7 | 158.3 | 159.7 | -67.3 | 169.6 | 0 | 0 | 0 | 118.3 | ||||
| 309 | P | 48.1 | Very low | 42.6 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 147.4 | -137.4 | 36.9 | -36.5 | 0 | 0 | 0 | 115.9 | ||
| 310 | K | 39.3 | Very low | 42.6 | Very low | 208 Ų | 208 | 133.3 Ų | 133.3 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 118.9 | 160.1 | -72.5 | -178.2 | 178.6 | 175.9 | 0 | 109.8 | S312 | K310-S312 PolarHBondContact O-N 3.1Š|
| 311 | N | 40.5 | Very low | 42.4 | Very low | 152 Ų | 152 | 132.2 Ų | 132.2 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62 | 117.8 | 172.3 | -82.8 | -53.1 | 0 | 0 | 0 | 111.3 | ||
| 312 | S | 33.1 | Very low | 43.1 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -177.1 | 96.2 | 149.4 | -82.8 | 0 | 0 | 0 | 0 | 110.4 | K310 N314 | K310-S312 PolarHBondContact O-N 3.1Å; S312-N314 PolarHBondContact O-N 3.29Å | ||
| 313 | P | 44.8 | Very low | 43.2 | Very low | 126 Ų | 126 | 134.9 Ų | 134.9 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -84.1 | 109.2 | 166.5 | 31.9 | -27.8 | 0 | 0 | 0 | 109.3 | ||||
| 314 | N | 37.6 | Very low | 43 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 88% | 0.882 | 81% | 0.807 | S | S | * | * | trans | -130.3 | 120.7 | 157.2 | -112.7 | -19.4 | 0 | 0 | 0 | 109.1 | S312 | S312-N314 PolarHBondContact O-N 3.29Š| ||
| 315 | N | 38.5 | Very low | 42.8 | Very low | 144 Ų | 144 | 134 Ų | 134 | 77% | 0.77 | 81% | 0.808 | S | S | * | * | S | Bend | trans | 91.4 | 106 | 158.5 | -139.2 | 6 | 0 | 0 | 0 | 120.1 | ||
| 316 | I | 44.9 | Very low | 42.1 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | trans | 55.8 | 114.5 | 144.1 | -95.7 | 60 | 0 | 0 | 0 | 120.1 | ||||
| 317 | S | 39.1 | Very low | 41.8 | Very low | 124 Ų | 124 | 136 Ų | 136 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -146.2 | 117.6 | 143.5 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 318 | G | 47.4 | Very low | 42.2 | Very low | 64 Ų | 64 | 139.4 Ų | 139.4 | 66% | 0.66 | 81% | 0.812 | S | S | * | * | trans | 131.4 | 68.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 319 | I | 42.3 | Very low | 42 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -180 | 93.3 | 140.2 | -87.4 | 147.4 | 0 | 0 | 0 | 104.9 | ||||
| 320 | S | 39.2 | Very low | 41.6 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | trans | -110 | 96.9 | 172.7 | -62.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 321 | N | 37.8 | Very low | 41.7 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -132 | 123.3 | 167.4 | -113 | 39.5 | 0 | 0 | 0 | 108.9 | ||||
| 322 | P | 47.4 | Very low | 41.7 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 70% | 0.701 | 82% | 0.815 | S | S | * | * | trans | -75.3 | 163 | 177.3 | 32 | -34.7 | 0 | 0 | 0 | 111.7 | G324 | P322-G324 PolarHBondContact O-N 3.38Š| ||
| 323 | P | 46.9 | Very low | 41.9 | Very low | 141 Ų | 141 | 135.4 Ų | 135.4 | 92% | 0.916 | 82% | 0.818 | S | S | * | * | trans | -73.5 | 111.1 | -179.8 | 29.7 | -33.5 | 0 | 0 | 0 | 110.8 | ||||
| 324 | G | 37.4 | Very low | 41.5 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | -150.1 | 141.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | P322 | P322-G324 PolarHBondContact O-N 3.38Š| ||
| 325 | T | 44.2 | Very low | 41.3 | Very low | 125 Ų | 125 | 131.8 Ų | 131.8 | 77% | 0.767 | 81% | 0.807 | S | S | * | * | trans | -50.5 | 143.2 | 178.3 | 49.8 | 0 | 0 | 0 | 0 | 112.9 | R327 | T325-R327 PolarHBondContact O-N 2.93Å; T325-R327 VanDerWaalsContact O-N 3.15Å | ||
| 326 | P | 41.9 | Very low | 41.2 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | trans | -61.7 | 119.8 | 167.8 | -13.8 | 28.2 | 0 | 0 | 0 | 108.9 | ||||
| 327 | R | 44 | Very low | 40.9 | Very low | 230 Ų | 230 | 134.1 Ų | 134.1 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -113.9 | 146.2 | 170.2 | -171.1 | 169.2 | -179.9 | 142.2 | 0.4 | 107.9 | T325 | T325-R327 PolarHBondContact O-N 2.93Å; T325-R327 VanDerWaalsContact O-N 3.15Å | ||
| 328 | D | 45 | Very low | 40.8 | Very low | 143 Ų | 143 | 136.2 Ų | 136.2 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -68.9 | -170.4 | -167.3 | -132.7 | -70.7 | 0 | 0 | 0 | 115.1 | ||||
| 329 | D | 43.4 | Very low | 40 | Very low | 146 Ų | 146 | 137 Ų | 137 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | 79.5 | 118.8 | 178.2 | -45 | -49.7 | 0 | 0 | 0 | 113.1 | ||||
| 330 | G | 38 | Very low | 39.6 | Very low | 79 Ų | 79 | 137.3 Ų | 137.3 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | cis | 102.2 | 133.9 | 45.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 331 | E | 41.5 | Very low | 39.5 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | cis | -170 | 153.9 | 16.5 | -177.9 | -174.6 | 145.4 | 0 | 0 | 107.5 | ||||
| 332 | L | 41.6 | Very low | 39.3 | Very low | 178 Ų | 178 | 140.1 Ų | 140.1 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | trans | 152.2 | 111.8 | 153.7 | -86.7 | 161.7 | 0 | 0 | 0 | 110.7 | ||||
| 333 | G | 36.7 | Very low | 38.7 | Very low | 81 Ų | 81 | 143.2 Ų | 143.2 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | trans | 168 | -7.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 334 | G | 35.8 | Very low | 38.1 | Very low | 64 Ų | 64 | 143.2 Ų | 143.2 | 66% | 0.66 | 80% | 0.8 | S | S | * | * | trans | 65.9 | 97.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 335 | N | 33.8 | Very low | 37.9 | Very low | 152 Ų | 152 | 150.6 Ų | 150.6 | 81% | 0.813 | 81% | 0.808 | S | S | * | * | 49 | 111 | 123.7 | -57.7 | -20.6 | 0 | 0 | 0 | 122.3 | |||||
| 336 | F | 36.6 | Very low | 37.5 | Very low | 204 Ų | 204 | 149.1 Ų | 149.1 | 90% | 0.895 | 80% | 0.803 | S | S | * | * | -143.3 | 106.6 | 127.8 | -78.4 | -74.7 | 0 | 0 | 0 | 111 | |||||
| 337 | L | 38.8 | Very low | 37.8 | Very low | 142 Ų | 142 | 148.6 Ų | 148.6 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | 23.1 | 136.5 | 146 | -56.2 | 167.7 | 0 | 0 | 0 | 119.4 | ||||
| 338 | H | 37.3 | Very low | 37.4 | Very low | 169 Ų | 169 | 143 Ų | 143 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | cis | -172 | 152.1 | -0.9 | -129.7 | 168.5 | 0 | 0 | 0 | 109.1 | ||||
| 339 | S | 31.5 | Very low | 37.2 | Very low | 80 Ų | 80 | 145.3 Ų | 145.3 | 56% | 0.559 | 80% | 0.804 | S | S | * | * | trans | 44.5 | 135.2 | 149.6 | -132.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 340 | F | 33.9 | Very low | 37.1 | Very low | 174 Ų | 174 | 144.2 Ų | 144.2 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | cis | -147.1 | 140.5 | 37.3 | -71.5 | -94.7 | 0 | 0 | 0 | 113.9 | ||||
| 341 | Q | 36.1 | Very low | 37.3 | Very low | 173 Ų | 173 | 149.5 Ų | 149.5 | 81% | 0.808 | 81% | 0.808 | S | S | * | * | trans | 48.2 | 109.6 | 142.7 | -71.6 | 160.7 | -37.1 | 0 | 0 | 120.3 | ||||
| 342 | N | 34.3 | Very low | 37.1 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -52 | 144.7 | 148.4 | -77.3 | -46.4 | 0 | 0 | 0 | 111.1 | ||||
| 343 | D | 34.2 | Very low | 37 | Very low | 173 Ų | 173 | 143.1 Ų | 143.1 | 93% | 0.925 | 79% | 0.793 | S | S | * | * | -145 | 141 | 129.8 | -106.4 | -43.4 | 0 | 0 | 0 | 110.9 | |||||
| 344 | N | 33.9 | Very low | 37.1 | Very low | 141 Ų | 141 | 144.5 Ų | 144.5 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | trans | -99.1 | 115.6 | -162.6 | -177.6 | 27.5 | 0 | 0 | 0 | 110.9 | ||||
| 345 | Y | 33.3 | Very low | 37.6 | Very low | 224 Ų | 224 | 147.4 Ų | 147.4 | 88% | 0.878 | 80% | 0.797 | S | S | * | * | trans | -145.8 | 111.6 | 168.9 | -127.5 | -87.4 | 0 | 0 | 0 | 113.1 | ||||
| 346 | S | 36.6 | Very low | 37.9 | Very low | 94 Ų | 94 | 147.6 Ų | 147.6 | 66% | 0.657 | 80% | 0.798 | S | S | * | * | trans | -83.7 | 140.2 | 172.9 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 347 | P | 47.7 | Very low | 38 | Very low | 129 Ų | 129 | 144 Ų | 144 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -104.9 | 87.8 | 164 | 34.7 | -27 | 0 | 0 | 0 | 111.1 | ||||
| 348 | S | 34.5 | Very low | 38.1 | Very low | 111 Ų | 111 | 147 Ų | 147 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -77.8 | 115.7 | 155.5 | 58.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 349 | M | 42 | Very low | 38.2 | Very low | 193 Ų | 193 | 145.8 Ų | 145.8 | 95% | 0.951 | 79% | 0.788 | S | S | * | * | trans | 28.9 | 108.6 | 160.9 | -73.7 | 172.3 | 160.9 | 0 | 0 | 118.4 | ||||
| 350 | T | 40 | Very low | 38.7 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | trans | -139.7 | 127.8 | 142.8 | -179 | 0 | 0 | 0 | 0 | 111.1 | S352 | T350-S352 PolarHBondContact O-N 3.5Š| ||
| 351 | M | 43.3 | Very low | 39.1 | Very low | 190 Ų | 190 | 151.4 Ų | 151.4 | 94% | 0.936 | 83% | 0.825 | S | S | * | * | trans | -71.6 | 103.1 | 168.5 | -76.4 | -79.6 | -163.2 | 0 | 0 | 108.1 | ||||
| 352 | S | 37.9 | Very low | 39.2 | Very low | 99 Ų | 99 | 150.3 Ų | 150.3 | 69% | 0.692 | 83% | 0.826 | S | S | * | * | trans | -101.2 | 96.8 | 175.8 | -61.4 | 0 | 0 | 0 | 0 | 110.9 | T350 | T350-S352 PolarHBondContact O-N 3.5Š| ||
| 353 | V | 39.5 | Very low | 39.5 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 79% | 0.794 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 133.8 | 167.7 | 170.3 | 0 | 0 | 0 | 0 | 110 | P355 | V353-P355 VanDerWaalsContact O-CD 3.3Å; V353-P355 WeakPolarHBondContact O-CD 3.3Å |
| 354 | S | 37.8 | Very low | 39.8 | Very low | 110 Ų | 110 | 148.6 Ų | 148.6 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 125 | 175.7 | -44 | 0 | 0 | 0 | 0 | 112.2 | ||
| 355 | P | 46.9 | Very low | 40.1 | Very low | 125 Ų | 125 | 149 Ų | 149 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 118.1 | 157.4 | -0.1 | 20.6 | 0 | 0 | 0 | 108.6 | V353 | V353-P355 VanDerWaalsContact O-CD 3.3Å; V353-P355 WeakPolarHBondContact O-CD 3.3Å |
| 356 | L | 40 | Very low | 40.5 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 82% | 0.817 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 151.5 | 162.1 | -90.1 | 161.3 | 0 | 0 | 0 | 110.5 | ||
| 357 | L | 39.2 | Very low | 40.8 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 67% | 0.67 | 83% | 0.83 | S | S | * | * | trans | 86.9 | 142.7 | 147.4 | -114.3 | 75.9 | 0 | 0 | 0 | 121 | ||||
| 358 | R | 41 | Very low | 40.3 | Very low | 206 Ų | 206 | 149 Ų | 149 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | 84.7 | 106.1 | 161.6 | -64.6 | 165.4 | -172.4 | 172.4 | 5.8 | 115.7 | ||||
| 359 | D | 38.9 | Very low | 40.7 | Very low | 144 Ų | 144 | 151.9 Ų | 151.9 | 77% | 0.77 | 83% | 0.834 | S | S | * | * | 88.4 | 123.6 | 58.3 | -79 | -51.2 | 0 | 0 | 0 | 110.9 | |||||
| 360 | A | 41.9 | Very low | 40.6 | Very low | 103 Ų | 103 | 148.5 Ų | 148.5 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | trans | 52 | 137.2 | 166.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 361 | E | 41.1 | Very low | 40.7 | Very low | 268 Ų | 268 | 150.9 Ų | 150.9 | 100% | 1.252 | 83% | 0.831 | S | S | * | * | cis | -151.5 | 0 | 31 | -167.8 | 174.3 | 132 | 0 | 0 | 110.5 |
Retrieved 361 of 361 residues in 157.6 ms
(Link to these results)