| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 40.8 | Very low | 55.3 | Low | 238 Ų | 238 | 143.1 Ų | 143.1 | 100% | 1.172 | 81% | 0.811 | S | S | * | * | 0 | 107.9 | 0 | -80.2 | 140.8 | 74.2 | 0 | 0 | 107.9 | |||||
| 2 | F | 39.6 | Very low | 57.9 | Low | 204 Ų | 204 | 135.8 Ų | 135.8 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | trans | -86.3 | 135.4 | 173.8 | -67.3 | -80.8 | 0 | 0 | 0 | 109.1 | K4 | F2-K4 PolarHBondContact O-N 2.94Š| ||
| 3 | P | 48.2 | Very low | 60.3 | Low | 124 Ų | 124 | 135.2 Ų | 135.2 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | trans | -65.6 | 118.7 | 178.5 | 25.9 | -31.1 | 0 | 0 | 0 | 109.1 | G5 | P3-G5 PolarHBondContact O-N 3.36Å; P3-G5 VanDerWaalsContact O-N 3.14Å | ||
| 4 | K | 45.6 | Very low | 62.3 | Low | 205 Ų | 205 | 130.5 Ų | 130.5 | 89% | 0.891 | 75% | 0.749 | S | S | * | * | trans | -57.7 | 114.1 | 175.7 | -163.9 | 164 | -180 | 172.1 | 0 | 108.1 | F2 K6 | F2-K4 PolarHBondContact O-N 2.94Å; K4-K6 PolarHBondContact O-N 2.81Å | ||
| 5 | G | 50.6 | Low | 64 | Low | 67 Ų | 67 | 128.9 Ų | 128.9 | 69% | 0.691 | 73% | 0.732 | S | S | * | * | trans | -52 | 127.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | P3 G7 | P3-G5 PolarHBondContact O-N 3.36Å; P3-G5 VanDerWaalsContact O-N 3.14Å; G5-G7 PolarHBondContact O-N 3.49Å | ||
| 6 | K | 49.8 | Very low | 65.6 | Low | 208 Ų | 208 | 123.9 Ų | 123.9 | 90% | 0.904 | 71% | 0.712 | S | S | * | * | trans | -60.9 | 105.1 | 169.4 | -68.7 | 176.5 | 179.2 | 177.2 | 0 | 106.4 | K4 T8 | K4-K6 PolarHBondContact O-N 2.81Å; K6-T8 PolarHBondContact O-N 2.82Å | ||
| 7 | G | 50.7 | Low | 67.1 | Low | 63 Ų | 63 | 127.6 Ų | 127.6 | 65% | 0.649 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 130.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108 | G5 P9 | G5-G7 PolarHBondContact O-N 3.49Å; G7-P9 WeakPolarHBondContact O-CD 3.23Å; G7-P9 VanDerWaalsContact O-N 3.1Å |
| 8 | T | 58.3 | Low | 68.4 | Low | 131 Ų | 131 | 124.4 Ų | 124.4 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 118.2 | 172.6 | 46.8 | 0 | 0 | 0 | 0 | 107.3 | K6 V10 | K6-T8 PolarHBondContact O-N 2.82Å; T8-V10 PolarHBondContact O-N 3.42Å |
| 9 | P | 71.9 | Confident | 69.6 | Low | 120 Ų | 120 | 124.1 Ų | 124.1 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 129.6 | -179.5 | 24 | -31.5 | 0 | 0 | 0 | 108.4 | G7 | G7-P9 WeakPolarHBondContact O-CD 3.23Å; G7-P9 VanDerWaalsContact O-N 3.1Å |
| 10 | V | 75.3 | Confident | 70.8 | Confident | 131 Ų | 131 | 122.6 Ų | 122.6 | 79% | 0.794 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 127.3 | 171.8 | 179.2 | 0 | 0 | 0 | 0 | 107 | T8 S12 | T8-V10 PolarHBondContact O-N 3.42Å; V10-S12 PolarHBondContact O-N 3.02Å |
| 11 | P | 77.4 | Confident | 71.9 | Confident | 83 Ų | 83 | 117.5 Ų | 117.5 | 54% | 0.539 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 134.2 | 178.9 | 24.5 | -32.2 | 0 | 0 | 0 | 109.2 | ||
| 12 | S | 87.1 | Confident | 74.4 | Confident | 56 Ų | 56 | 107.8 Ų | 107.8 | 39% | 0.392 | 60% | 0.598 | S | S | . | * | P | Polyproline II helix | trans | -71.5 | 155 | 174.4 | 66.9 | 0 | 0 | 0 | 0 | 110.5 | V10 S14 Q15 A16 | V10-S12 PolarHBondContact O-N 3.02Å; S12-S14 PolarHBondContact O-N 2.93Å; S12-S14 VanDerWaalsContact O-N 3.09Å; S12-Q15 WeakPolarHBondContact O-CA 3.33Å; S12-Q15 WeakPolarHBondContact O-CB 3.42Å; S12-Q15 PolarHBondContact O-N 3.48Å; S12-Q15 WeakPolarHBondContact OG-CG 3.33Å; S12-Q15 PolarHBondContact OG-N 3.28Å; S12-A16 PolarHBondContact O-N 3.28Å |
| 13 | D | 89 | Confident | 77 | Confident | 127 Ų | 127 | 101.1 Ų | 101.1 | 68% | 0.679 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -54.5 | -32.7 | 176.8 | -70.3 | -29.4 | 0 | 0 | 0 | 112.5 | A16 R17 | D13-A16 PolarHBondContact O-N 3.49Å; D13-R17 WeakPolarHBondContact O-CB 3.48Å; D13-R17 WeakPolarHBondContact O-CG 3.5Å; D13-R17 PolarHBondContact O-N 3.36Å |
| 14 | S | 87.4 | Confident | 79.2 | Confident | 70 Ų | 70 | 97.1 Ų | 97.1 | 49% | 0.49 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.1 | -47.3 | 174.4 | -170.7 | 0 | 0 | 0 | 0 | 111.7 | S12 A16 R17 E18 | S12-S14 PolarHBondContact O-N 2.93Å; S12-S14 VanDerWaalsContact O-N 3.09Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 2.93Å; S14-R17 PolarHBondContact O-N 3.15Å; S14-E18 WeakPolarHBondContact O-CG 3.46Å; S14-E18 PolarHBondContact O-N 3.39Å |
| 15 | Q | 88.7 | Confident | 81.5 | Confident | 107 Ų | 107 | 88.9 Ų | 88.9 | 50% | 0.5 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.6 | -38.6 | 176.8 | -69 | 173.5 | 6.9 | 0 | 0 | 111.9 | S12 E18 K19 | S12-Q15 WeakPolarHBondContact O-CA 3.33Å; S12-Q15 WeakPolarHBondContact O-CB 3.42Å; S12-Q15 PolarHBondContact O-N 3.48Å; S12-Q15 WeakPolarHBondContact OG-CG 3.33Å; S12-Q15 PolarHBondContact OG-N 3.28Å; Q15-E18 PolarHBondContact O-N 3.16Å; Q15-K19 WeakPolarHBondContact O-CB 3.39Å; Q15-K19 WeakPolarHBondContact O-CG 3.36Å; Q15-K19 PolarHBondContact O-N 2.95Å |
| 16 | A | 90 | Very high | 83.5 | Confident | 49 Ų | 49 | 86.6 Ų | 86.6 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -64.1 | -44.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S12 D13 S14 K19 L20 | S12-A16 PolarHBondContact O-N 3.28Å; D13-A16 PolarHBondContact O-N 3.49Å; S14-A16 VanDerWaalsContact C-N 3.32Å; S14-A16 PolarHBondContact O-N 2.93Å; A16-K19 PolarHBondContact O-N 3.42Å; A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 3.06Å |
| 17 | R | 90.1 | Very high | 85.6 | Confident | 187 Ų | 187 | 80.6 Ų | 80.6 | 71% | 0.706 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 176.1 | -73.7 | 170.5 | -174.8 | -160.3 | 1.9 | 112.2 | D13 S14 L20 A21 | D13-R17 WeakPolarHBondContact O-CB 3.48Å; D13-R17 WeakPolarHBondContact O-CG 3.5Å; D13-R17 PolarHBondContact O-N 3.36Å; S14-R17 PolarHBondContact O-N 3.15Å; R17-L20 PolarHBondContact O-N 3.41Å; R17-A21 WeakPolarHBondContact O-CB 3.37Å; R17-A21 PolarHBondContact O-N 3.12Å |
| 18 | E | 91.2 | Very high | 87.7 | Confident | 70 Ų | 70 | 79 Ų | 79 | 33% | 0.327 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 176.6 | -71.9 | -180 | 174.8 | 0 | 0 | 112.2 | S14 Q15 A21 L22 W46 K48 | S14-E18 WeakPolarHBondContact O-CG 3.46Å; S14-E18 PolarHBondContact O-N 3.39Å; Q15-E18 PolarHBondContact O-N 3.16Å; E18-A21 PolarHBondContact O-N 3.16Å; E18-L22 PolarHBondContact O-N 2.98Å; E18-L22 VanDerWaalsContact O-N 3.11Å; E18-W46 HydrophobicContact CB-CH2 4.23Å; E18-W46 HydrophobicContact CB-CZ3 4.4Å; E18-W46 WeakPolarHBondContact O-CH2 3.37Å; E18-K48 IonicContact OE1-NZ 2.65Å; E18-K48 PolarHBondContact OE1-NZ 3.36Å; E18-K48 IonicContact OE2-NZ 2.68Å; E18-K48 PolarHBondContact OE2-NZ 3.24Å |
| 19 | K | 91.3 | Very high | 89.3 | Confident | 118 Ų | 118 | 73.7 Ų | 73.7 | 51% | 0.513 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 176.2 | -75.2 | -68.8 | -174 | 179 | 0 | 111.9 | Q15 A16 L22 Y23 | Q15-K19 WeakPolarHBondContact O-CB 3.39Å; Q15-K19 WeakPolarHBondContact O-CG 3.36Å; Q15-K19 PolarHBondContact O-N 2.95Å; A16-K19 PolarHBondContact O-N 3.42Å; K19-L22 WeakPolarHBondContact O-CB 3.41Å; K19-L22 PolarHBondContact O-N 3.29Å; K19-Y23 HydrophobicContact CB-CE2 4.18Å; K19-Y23 WeakPolarHBondContact O-CD2 3.41Å; K19-Y23 PolarHBondContact O-N 3.17Å |
| 20 | L | 93.3 | Very high | 90.2 | Very high | 94 Ų | 94 | 71 Ų | 71 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | 176.4 | -179.1 | 62.2 | 0 | 0 | 0 | 111.4 | A16 R17 L22 Y23 V24 L59 | A16-L20 WeakPolarHBondContact O-CB 3.5Å; A16-L20 PolarHBondContact O-N 3.06Å; R17-L20 PolarHBondContact O-N 3.41Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.27Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; L20-V24 HydrophobicContact CD1-CG2 4.23Å; L20-V24 HydrophobicContact CG-CG2 4.35Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 2.96Å; L20-L59 HydrophobicContact CD1-CD1 4.4Å |
| 21 | A | 94.3 | Very high | 91 | Very high | 15 Ų | 15 | 69.1 Ų | 69.1 | 12% | 0.124 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -58.3 | -42.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | R17 E18 Y23 V24 Y25 F40 I44 W46 | R17-A21 WeakPolarHBondContact O-CB 3.37Å; R17-A21 PolarHBondContact O-N 3.12Å; E18-A21 PolarHBondContact O-N 3.16Å; A21-Y23 PolarHBondContact O-N 3.27Å; A21-V24 PolarHBondContact O-N 3.43Å; A21-Y25 WeakPolarHBondContact O-CB 3.47Å; A21-Y25 PolarHBondContact O-N 3.27Å; A21-F40 HydrophobicContact CB-CE1 4.27Å; A21-F40 HydrophobicContact CB-CZ 4.09Å; A21-F40 WeakPolarHBondContact O-CE1 3.32Å; A21-I44 HydrophobicContact CB-CD1 3.95Å; A21-W46 HydrophobicContact CB-CE3 4.35Å; A21-W46 HydrophobicContact CB-CZ3 3.9Å |
| 22 | L | 93.7 | Very high | 91.7 | Very high | 34 Ų | 34 | 67.7 Ų | 67.7 | 18% | 0.178 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -56.6 | -48.8 | 173.2 | -103.9 | 160.7 | 0 | 0 | 0 | 112.4 | E18 K19 L20 Y25 E26 W46 I50 | E18-L22 PolarHBondContact O-N 2.98Å; E18-L22 VanDerWaalsContact O-N 3.11Å; K19-L22 WeakPolarHBondContact O-CB 3.41Å; K19-L22 PolarHBondContact O-N 3.29Å; L20-L22 VanDerWaalsContact C-N 3.3Å; L20-L22 PolarHBondContact O-N 3.27Å; L22-Y25 PolarHBondContact O-N 3.43Å; L22-E26 PolarHBondContact O-N 3.31Å; L22-W46 HydrophobicContact CD1-CH2 4.01Å; L22-W46 HydrophobicContact CD1-CZ2 3.76Å; L22-W46 HydrophobicContact CD2-CZ2 4.38Å; L22-W46 HydrophobicContact CG-CH2 3.93Å; L22-W46 HydrophobicContact CG-CZ2 3.61Å; L22-I50 HydrophobicContact CD2-CB 4.45Å; L22-I50 HydrophobicContact CD2-CG1 4.39Å; L22-I50 HydrophobicContact CD2-CG2 3.86Å |
| 23 | Y | 93.2 | Very high | 92.1 | Very high | 65 Ų | 65 | 66.3 Ų | 66.3 | 26% | 0.255 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -71.7 | -30.2 | -178.4 | -56.6 | -47.1 | 0 | 0 | 0 | 113.2 | K19 L20 A21 Y27 F58 | K19-Y23 HydrophobicContact CB-CE2 4.18Å; K19-Y23 WeakPolarHBondContact O-CD2 3.41Å; K19-Y23 PolarHBondContact O-N 3.17Å; L20-Y23 PolarHBondContact O-N 3.45Å; L20-Y23 VanDerWaalsContact O-N 3.15Å; A21-Y23 PolarHBondContact O-N 3.27Å; Y23-Y27 VanDerWaalsContact O-CB 3.31Å; Y23-Y27 WeakPolarHBondContact O-CB 3.31Å; Y23-Y27 PolarHBondContact O-N 3.3Å; Y23-F58 HydrophobicContact CD1-CB 3.75Å; Y23-F58 AromaticContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CG 4.05Å; Y23-F58 AromaticContact CD2-CD1 3.5Å; Y23-F58 HydrophobicContact CD2-CD1 3.5Å; Y23-F58 AromaticContact CD2-CE1 3.86Å; Y23-F58 HydrophobicContact CD2-CE1 3.86Å; Y23-F58 HydrophobicContact CE1-CB 3.8Å; Y23-F58 AromaticContact CE1-CD1 3.72Å; Y23-F58 HydrophobicContact CE1-CD1 3.72Å; Y23-F58 HydrophobicContact CE1-CE1 4.48Å; Y23-F58 AromaticContact CE1-CG 3.81Å; Y23-F58 HydrophobicContact CE1-CG 3.81Å; Y23-F58 AromaticContact CE2-CD1 3.4Å; Y23-F58 HydrophobicContact CE2-CD1 3.4Å; Y23-F58 AromaticContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CE1 3.47Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CG 4.27Å; Y23-F58 HydrophobicContact CE2-CZ 4.38Å; Y23-F58 HydrophobicContact CG-CB 4.36Å; Y23-F58 AromaticContact CG-CD1 3.7Å; Y23-F58 HydrophobicContact CG-CD1 3.7Å; Y23-F58 HydrophobicContact CG-CG 4.41Å; Y23-F58 AromaticContact CZ-CD1 3.51Å; Y23-F58 AromaticContact CZ-CE1 3.82Å; Y23-F58 AromaticContact CZ-CG 3.91Å |
| 24 | V | 94.4 | Very high | 92.3 | Very high | 40 Ų | 40 | 65.1 Ų | 65.1 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -66.3 | -43.7 | 171.7 | 170 | 0 | 0 | 0 | 0 | 110.4 | L20 A21 Y27 L28 F40 L59 | L20-V24 HydrophobicContact CD1-CG2 4.23Å; L20-V24 HydrophobicContact CG-CG2 4.35Å; L20-V24 WeakPolarHBondContact O-CG2 3.36Å; L20-V24 PolarHBondContact O-N 2.96Å; A21-V24 PolarHBondContact O-N 3.43Å; V24-Y27 PolarHBondContact O-N 3.48Å; V24-L28 HydrophobicContact CG1-CD1 4.18Å; V24-L28 HydrophobicContact CG1-CG 4.48Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.41Å; V24-L28 PolarHBondContact O-N 3.4Å; V24-F40 HydrophobicContact CB-CE1 4.27Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE1 4.06Å; V24-F40 HydrophobicContact CG1-CE2 4.38Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; V24-L59 HydrophobicContact CG2-CD2 3.9Å |
| 25 | Y | 93.9 | Very high | 92.7 | Very high | 32 Ų | 32 | 70.4 Ų | 70.4 | 13% | 0.125 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61 | -47.5 | 175 | 173.7 | -101.8 | 0 | 0 | 0 | 111.9 | A21 L22 Y27 L28 L29 A37 L41 I50 L52 | A21-Y25 WeakPolarHBondContact O-CB 3.47Å; A21-Y25 PolarHBondContact O-N 3.27Å; L22-Y25 PolarHBondContact O-N 3.43Å; Y25-Y27 VanDerWaalsContact C-N 3.32Å; Y25-Y27 PolarHBondContact O-N 3.39Å; Y25-L28 PolarHBondContact O-N 3.24Å; Y25-L29 HydrophobicContact CD1-CD1 4.03Å; Y25-L29 HydrophobicContact CE1-CD1 3.34Å; Y25-L29 HydrophobicContact CE1-CG 4.12Å; Y25-L29 HydrophobicContact CE2-CD1 4.27Å; Y25-L29 HydrophobicContact CE2-CD2 4.38Å; Y25-L29 HydrophobicContact CE2-CG 4.26Å; Y25-L29 WeakPolarHBondContact O-CG 3.31Å; Y25-L29 PolarHBondContact O-N 3.27Å; Y25-A37 HydrophobicContact CD2-CB 3.78Å; Y25-A37 WeakPolarHBondContact CD2-O 3.48Å; Y25-A37 HydrophobicContact CE2-CB 3.64Å; Y25-A37 WeakPolarHBondContact CE2-O 3.45Å; Y25-L41 HydrophobicContact CD2-CD1 3.66Å; Y25-L41 HydrophobicContact CD2-CD2 3.75Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.32Å; Y25-L41 HydrophobicContact CE2-CD1 3.27Å; Y25-L41 HydrophobicContact CE2-CD2 4.27Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.32Å; Y25-L41 HydrophobicContact CG-CD2 3.94Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; Y25-I50 HydrophobicContact CD1-CD1 3.81Å; Y25-I50 HydrophobicContact CD1-CG2 3.79Å; Y25-I50 HydrophobicContact CE1-CB 4.44Å; Y25-I50 HydrophobicContact CE1-CD1 3.57Å; Y25-I50 HydrophobicContact CE1-CG2 3.68Å; Y25-I50 HydrophobicContact CG-CD1 4.38Å; Y25-L52 HydrophobicContact CD1-CD2 4.19Å; Y25-L52 HydrophobicContact CE1-CD2 3.95Å |
| 26 | E | 93.4 | Very high | 93.1 | Very high | 18 Ų | 18 | 68.5 Ų | 68.5 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -55.7 | -47.6 | 174.9 | 178.4 | -179.2 | -142.2 | 0 | 0 | 111.3 | L22 L28 L29 H30 L52 G53 F58 | L22-E26 PolarHBondContact O-N 3.31Å; E26-L28 PolarHBondContact O-N 2.89Å; E26-L29 WeakPolarHBondContact O-CB 3.21Å; E26-L29 PolarHBondContact O-N 3.44Å; E26-H30 WeakPolarHBondContact CG-CE1 3.09Å; E26-H30 PolarHBondContact O-N 3.14Å; E26-H30 IonicContact OE1-CE1 3.49Å; E26-H30 PolarHBondContact OE1-CE1 3.42Å; E26-L52 HydrophobicContact CB-CD2 4.39Å; E26-G53 VanDerWaalsContact OE1-CA 3.23Å; E26-G53 WeakPolarHBondContact OE1-CA 3.4Å; E26-G53 PolarHBondContact OE1-N 2.96Å; E26-F58 PolarHBondContact OE2-N 3.14Å |
| 27 | Y | 93.4 | Very high | 93.3 | Very high | 82 Ų | 82 | 66.1 Ų | 66.1 | 32% | 0.322 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -58.5 | -47.7 | 177.1 | 172.6 | -108 | 0 | 0 | 0 | 112.3 | Y23 V24 Y25 L29 H30 I31 L59 H60 | Y23-Y27 VanDerWaalsContact O-CB 3.31Å; Y23-Y27 WeakPolarHBondContact O-CB 3.31Å; Y23-Y27 PolarHBondContact O-N 3.3Å; V24-Y27 PolarHBondContact O-N 3.48Å; Y25-Y27 VanDerWaalsContact C-N 3.32Å; Y25-Y27 PolarHBondContact O-N 3.39Å; Y27-L29 PolarHBondContact O-N 2.68Å; Y27-H30 PolarHBondContact O-N 3.3Å; Y27-H30 VanDerWaalsContact O-N 3.16Å; Y27-I31 HydrophobicContact CD1-CD1 4.29Å; Y27-I31 HydrophobicContact CD2-CG2 3.92Å; Y27-I31 HydrophobicContact CE1-CD1 3.75Å; Y27-I31 HydrophobicContact CE1-CG2 4.3Å; Y27-I31 HydrophobicContact CE2-CG2 3.41Å; Y27-I31 VanDerWaalsContact CE2-CG2 3.41Å; Y27-I31 WeakPolarHBondContact O-CG1 3.32Å; Y27-I31 PolarHBondContact O-N 2.98Å; Y27-L59 HydrophobicContact CG-CD2 4.38Å; Y27-H60 HydrophobicContact CD2-CB 4.17Å; Y27-H60 HydrophobicContact CE2-CB 4.43Å; Y27-H60 AromaticContact CE2-ND1 3.86Å |
| 28 | L | 94.3 | Very high | 93.4 | Very high | 30 Ų | 30 | 64 Ų | 64 | 16% | 0.157 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.7 | -37 | 178.1 | -71.2 | 172.2 | 0 | 0 | 0 | 111.7 | V24 Y25 E26 I31 A33 A37 F40 | V24-L28 HydrophobicContact CG1-CD1 4.18Å; V24-L28 HydrophobicContact CG1-CG 4.48Å; V24-L28 VanDerWaalsContact O-CG 3.3Å; V24-L28 WeakPolarHBondContact O-CG 3.41Å; V24-L28 PolarHBondContact O-N 3.4Å; Y25-L28 PolarHBondContact O-N 3.24Å; E26-L28 PolarHBondContact O-N 2.89Å; L28-I31 HydrophobicContact CD2-CD1 4.27Å; L28-I31 WeakPolarHBondContact O-CG1 3.39Å; L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.15Å; L28-A33 CarbonylContact O-C 3.56Å; L28-A33 WeakPolarHBondContact O-CA 3.38Å; L28-A33 WeakPolarHBondContact O-CB 3.3Å; L28-A33 PolarHBondContact O-N 3.25Å; L28-A37 HydrophobicContact CB-CB 3.74Å; L28-A37 HydrophobicContact CD1-CB 4.46Å; L28-F40 HydrophobicContact CD1-CB 4.17Å; L28-F40 HydrophobicContact CD1-CD1 4.48Å; L28-F40 HydrophobicContact CD1-CG 4.35Å |
| 29 | L | 92.3 | Very high | 93.7 | Very high | 20 Ų | 20 | 63.8 Ų | 63.8 | 11% | 0.105 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -68.9 | -46 | 174.8 | -69.2 | 179.2 | 0 | 0 | 0 | 112.3 | Y25 E26 Y27 I31 G32 Q34 A37 L52 | Y25-L29 HydrophobicContact CD1-CD1 4.03Å; Y25-L29 HydrophobicContact CE1-CD1 3.34Å; Y25-L29 HydrophobicContact CE1-CG 4.12Å; Y25-L29 HydrophobicContact CE2-CD1 4.27Å; Y25-L29 HydrophobicContact CE2-CD2 4.38Å; Y25-L29 HydrophobicContact CE2-CG 4.26Å; Y25-L29 WeakPolarHBondContact O-CG 3.31Å; Y25-L29 PolarHBondContact O-N 3.27Å; E26-L29 WeakPolarHBondContact O-CB 3.21Å; E26-L29 PolarHBondContact O-N 3.44Å; Y27-L29 PolarHBondContact O-N 2.68Å; L29-I31 VanDerWaalsContact C-N 3.32Å; L29-I31 PolarHBondContact O-N 2.65Å; L29-G32 PolarHBondContact O-N 2.92Å; L29-Q34 VanDerWaalsContact CD2-NE2 3.29Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.22Å; L29-Q34 PolarHBondContact O-NE2 2.85Å; L29-A37 HydrophobicContact CD2-CB 3.74Å; L29-A37 HydrophobicContact CG-CB 4.1Å; L29-L52 HydrophobicContact CD1-CD1 3.63Å; L29-L52 HydrophobicContact CD1-CD2 3.54Å; L29-L52 HydrophobicContact CD1-CG 4.24Å |
| 30 | H | 90.6 | Very high | 93.9 | Very high | 62 Ų | 62 | 60.4 Ų | 60.4 | 29% | 0.287 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -65.7 | -32.2 | -177.9 | -69.9 | 157.3 | 0 | 0 | 0 | 113 | E26 Y27 G32 G53 P56 G57 | E26-H30 WeakPolarHBondContact CG-CE1 3.09Å; E26-H30 PolarHBondContact O-N 3.14Å; E26-H30 IonicContact OE1-CE1 3.49Å; E26-H30 PolarHBondContact OE1-CE1 3.42Å; Y27-H30 PolarHBondContact O-N 3.3Å; Y27-H30 VanDerWaalsContact O-N 3.16Å; H30-G32 PolarHBondContact O-N 3.18Å; H30-G53 PolarHBondContact NE2-O 2.84Å; H30-P56 VanDerWaalsContact ND1-C 3.32Å; H30-P56 PolarHBondContact ND1-O 3.05Å; H30-G57 VanDerWaalsContact CE1-CA 3.42Å; H30-G57 WeakPolarHBondContact CE1-CA 3.41Å; H30-G57 PolarHBondContact CE1-N 3.39Å; H30-G57 VanDerWaalsContact ND1-CA 3.33Å; H30-G57 WeakPolarHBondContact ND1-CA 3.45Å; H30-G57 PolarHBondContact ND1-N 2.86Å |
| 31 | I | 92.8 | Very high | 93.9 | Very high | 92 Ų | 92 | 57.4 Ų | 57.4 | 47% | 0.472 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | 0.5 | 173.1 | 70.4 | 175.9 | 0 | 0 | 0 | 113.7 | Y27 L28 L29 A33 | Y27-I31 HydrophobicContact CD1-CD1 4.29Å; Y27-I31 HydrophobicContact CD2-CG2 3.92Å; Y27-I31 HydrophobicContact CE1-CD1 3.75Å; Y27-I31 HydrophobicContact CE1-CG2 4.3Å; Y27-I31 HydrophobicContact CE2-CG2 3.41Å; Y27-I31 VanDerWaalsContact CE2-CG2 3.41Å; Y27-I31 WeakPolarHBondContact O-CG1 3.32Å; Y27-I31 PolarHBondContact O-N 2.98Å; L28-I31 HydrophobicContact CD2-CD1 4.27Å; L28-I31 WeakPolarHBondContact O-CG1 3.39Å; L29-I31 VanDerWaalsContact C-N 3.32Å; L29-I31 PolarHBondContact O-N 2.65Å; I31-A33 HydrophobicContact CD1-CB 4.1Å; I31-A33 HydrophobicContact CG1-CB 3.92Å |
| 32 | G | 92.2 | Very high | 93.9 | Very high | 54 Ų | 54 | 60.6 Ų | 60.6 | 56% | 0.557 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 7.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L29 H30 Q34 | L29-G32 PolarHBondContact O-N 2.92Å; H30-G32 PolarHBondContact O-N 3.18Å; G32-Q34 PolarHBondContact O-N 3.46Å |
| 33 | A | 94.8 | Very high | 94 | Very high | 27 Ų | 27 | 65.7 Ų | 65.7 | 22% | 0.223 | 34% | 0.344 | C | S | . | . | trans | -80.9 | 54.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L28 I31 K35 S36 A37 | L28-A33 HydrophobicContact CB-CB 4.48Å; L28-A33 HydrophobicContact CD2-CB 4.15Å; L28-A33 CarbonylContact O-C 3.56Å; L28-A33 WeakPolarHBondContact O-CA 3.38Å; L28-A33 WeakPolarHBondContact O-CB 3.3Å; L28-A33 PolarHBondContact O-N 3.25Å; I31-A33 HydrophobicContact CD1-CB 4.1Å; I31-A33 HydrophobicContact CG1-CB 3.92Å; A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.37Å; A33-S36 PolarHBondContact O-N 2.92Å; A33-A37 PolarHBondContact O-N 3.33Å | ||
| 34 | Q | 93.6 | Very high | 94 | Very high | 102 Ų | 102 | 66 Ų | 66 | 48% | 0.477 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -55.8 | -42.6 | -172.9 | -64.8 | -67.5 | -45.9 | 0 | 0 | 113.5 | L29 G32 A37 Q38 | L29-Q34 VanDerWaalsContact CD2-NE2 3.29Å; L29-Q34 VanDerWaalsContact CD2-OE1 3.22Å; L29-Q34 PolarHBondContact O-NE2 2.85Å; G32-Q34 PolarHBondContact O-N 3.46Å; Q34-A37 PolarHBondContact O-N 3.18Å; Q34-Q38 PolarHBondContact O-N 3.29Å; Q34-Q38 VanDerWaalsContact O-N 3.12Å |
| 35 | K | 95.9 | Very high | 93.9 | Very high | 181 Ų | 181 | 73.9 Ų | 73.9 | 79% | 0.787 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -65.5 | -46.3 | 179.3 | -68 | -176.8 | -179.9 | 179.3 | 0 | 111.5 | A33 A37 Q38 T39 | A33-K35 VanDerWaalsContact C-N 3.34Å; A33-K35 PolarHBondContact O-N 3.37Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.31Å; K35-Q38 PolarHBondContact O-N 3.41Å; K35-T39 PolarHBondContact O-N 2.99Å; K35-T39 PolarHBondContact O-OG1 2.93Å |
| 36 | S | 96.7 | Very high | 93.9 | Very high | 66 Ų | 66 | 74.6 Ų | 74.6 | 46% | 0.462 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63 | -39 | 177.2 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | A33 Q38 T39 F40 | A33-S36 PolarHBondContact O-N 2.92Å; S36-Q38 PolarHBondContact O-N 3.33Å; S36-T39 PolarHBondContact O-N 3.07Å; S36-F40 WeakPolarHBondContact O-CB 3.5Å; S36-F40 PolarHBondContact O-N 3.06Å |
| 37 | A | 94.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 82.3 Ų | 82.3 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -60.3 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y25 L28 L29 A33 Q34 K35 L41 | Y25-A37 HydrophobicContact CD2-CB 3.78Å; Y25-A37 WeakPolarHBondContact CD2-O 3.48Å; Y25-A37 HydrophobicContact CE2-CB 3.64Å; Y25-A37 WeakPolarHBondContact CE2-O 3.45Å; L28-A37 HydrophobicContact CB-CB 3.74Å; L28-A37 HydrophobicContact CD1-CB 4.46Å; L29-A37 HydrophobicContact CD2-CB 3.74Å; L29-A37 HydrophobicContact CG-CB 4.1Å; A33-A37 PolarHBondContact O-N 3.33Å; Q34-A37 PolarHBondContact O-N 3.18Å; K35-A37 VanDerWaalsContact C-N 3.31Å; K35-A37 PolarHBondContact O-N 3.31Å; A37-L41 PolarHBondContact O-N 2.95Å |
| 38 | Q | 92.4 | Very high | 93.4 | Very high | 141 Ų | 141 | 83.4 Ų | 83.4 | 66% | 0.659 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -68.4 | -45.5 | 176.8 | -72.5 | -157.4 | -2.9 | 0 | 0 | 112.8 | Q34 K35 S36 F40 L41 S42 | Q34-Q38 PolarHBondContact O-N 3.29Å; Q34-Q38 VanDerWaalsContact O-N 3.12Å; K35-Q38 PolarHBondContact O-N 3.41Å; S36-Q38 PolarHBondContact O-N 3.33Å; Q38-F40 VanDerWaalsContact C-N 3.28Å; Q38-F40 PolarHBondContact O-N 2.87Å; Q38-L41 PolarHBondContact O-N 2.92Å; Q38-S42 PolarHBondContact O-N 3.38Å; Q38-S42 VanDerWaalsContact O-N 3.14Å |
| 39 | T | 96.3 | Very high | 92.9 | Very high | 67 Ų | 67 | 89.7 Ų | 89.7 | 41% | 0.411 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57.5 | -44.9 | 176.1 | -60.2 | 0 | 0 | 0 | 0 | 110.7 | K35 S36 L41 S42 E43 | K35-T39 PolarHBondContact O-N 2.99Å; K35-T39 PolarHBondContact O-OG1 2.93Å; S36-T39 PolarHBondContact O-N 3.07Å; T39-L41 PolarHBondContact O-N 2.67Å; T39-S42 PolarHBondContact O-N 3.5Å; T39-S42 VanDerWaalsContact O-N 3.07Å; T39-S42 PolarHBondContact O-OG 3.27Å; T39-E43 HydrophobicContact CG2-CG 4.18Å; T39-E43 VanDerWaalsContact CG2-OE1 3.31Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.34Å; T39-E43 WeakPolarHBondContact O-CG 3.44Å; T39-E43 PolarHBondContact O-N 3.11Å |
| 40 | F | 95.8 | Very high | 92.4 | Very high | 47 Ų | 47 | 91.3 Ų | 91.3 | 21% | 0.206 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -56.4 | -47.5 | 178.9 | 175.4 | -109.9 | 0 | 0 | 0 | 112.6 | A21 V24 L28 S36 Q38 S42 E43 I44 | A21-F40 HydrophobicContact CB-CE1 4.27Å; A21-F40 HydrophobicContact CB-CZ 4.09Å; A21-F40 WeakPolarHBondContact O-CE1 3.32Å; V24-F40 HydrophobicContact CB-CE1 4.27Å; V24-F40 HydrophobicContact CB-CZ 4.26Å; V24-F40 HydrophobicContact CG1-CE1 4.06Å; V24-F40 HydrophobicContact CG1-CE2 4.38Å; V24-F40 HydrophobicContact CG1-CZ 3.98Å; L28-F40 HydrophobicContact CD1-CB 4.17Å; L28-F40 HydrophobicContact CD1-CD1 4.48Å; L28-F40 HydrophobicContact CD1-CG 4.35Å; S36-F40 WeakPolarHBondContact O-CB 3.5Å; S36-F40 PolarHBondContact O-N 3.06Å; Q38-F40 VanDerWaalsContact C-N 3.28Å; Q38-F40 PolarHBondContact O-N 2.87Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 2.86Å; F40-E43 PolarHBondContact O-N 3.15Å; F40-I44 HydrophobicContact CD1-CD1 4.29Å; F40-I44 HydrophobicContact CD2-CG2 4.33Å; F40-I44 HydrophobicContact CE1-CD1 3.78Å; F40-I44 HydrophobicContact CE2-CD1 4.44Å; F40-I44 HydrophobicContact CE2-CG2 3.98Å; F40-I44 HydrophobicContact CZ-CD1 3.87Å; F40-I44 HydrophobicContact CZ-CG2 4.36Å; F40-I44 WeakPolarHBondContact O-CG1 3.44Å; F40-I44 PolarHBondContact O-N 3.38Å; F40-I44 VanDerWaalsContact O-N 3.17Å |
| 41 | L | 93.4 | Very high | 92 | Very high | 31 Ų | 31 | 94.3 Ų | 94.3 | 16% | 0.162 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.4 | -38.1 | 176.5 | -67.5 | -177.9 | 0 | 0 | 0 | 112.6 | Y25 A37 Q38 T39 R45 W46 I50 | Y25-L41 HydrophobicContact CD2-CD1 3.66Å; Y25-L41 HydrophobicContact CD2-CD2 3.75Å; Y25-L41 HydrophobicContact CD2-CG 3.5Å; Y25-L41 HydrophobicContact CE1-CD1 4.32Å; Y25-L41 HydrophobicContact CE2-CD1 3.27Å; Y25-L41 HydrophobicContact CE2-CD2 4.27Å; Y25-L41 HydrophobicContact CE2-CG 3.63Å; Y25-L41 HydrophobicContact CG-CD1 4.32Å; Y25-L41 HydrophobicContact CG-CD2 3.94Å; Y25-L41 HydrophobicContact CG-CG 4.2Å; A37-L41 PolarHBondContact O-N 2.95Å; Q38-L41 PolarHBondContact O-N 2.92Å; T39-L41 PolarHBondContact O-N 2.67Å; L41-R45 PolarHBondContact O-N 3.31Å; L41-W46 HydrophobicContact CB-CB 4.12Å; L41-W46 HydrophobicContact CD2-CB 3.71Å; L41-W46 HydrophobicContact CD2-CD2 4.36Å; L41-W46 HydrophobicContact CD2-CG 3.69Å; L41-W46 HydrophobicContact CG-CB 4.47Å; L41-W46 PolarHBondContact O-N 3.37Å; L41-I50 HydrophobicContact CD1-CD1 3.37Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 4.24Å |
| 42 | S | 93.3 | Very high | 91.5 | Very high | 81 Ų | 81 | 94.6 Ų | 94.6 | 57% | 0.566 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.6 | -39.3 | 179.2 | 72.2 | 0 | 0 | 0 | 0 | 112.3 | Q38 T39 F40 R45 | Q38-S42 PolarHBondContact O-N 3.38Å; Q38-S42 VanDerWaalsContact O-N 3.14Å; T39-S42 PolarHBondContact O-N 3.5Å; T39-S42 VanDerWaalsContact O-N 3.07Å; T39-S42 PolarHBondContact O-OG 3.27Å; F40-S42 VanDerWaalsContact C-N 3.3Å; F40-S42 PolarHBondContact O-N 2.86Å; S42-R45 PolarHBondContact O-N 3.48Å |
| 43 | E | 95.9 | Very high | 90.9 | Very high | 142 Ų | 142 | 93.8 Ų | 93.8 | 66% | 0.664 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.8 | -41.9 | -179.3 | -75.8 | -179 | -175.7 | 0 | 0 | 111.9 | T39 F40 R45 | T39-E43 HydrophobicContact CG2-CG 4.18Å; T39-E43 VanDerWaalsContact CG2-OE1 3.31Å; T39-E43 WeakPolarHBondContact CG2-OE1 3.34Å; T39-E43 WeakPolarHBondContact O-CG 3.44Å; T39-E43 PolarHBondContact O-N 3.11Å; F40-E43 PolarHBondContact O-N 3.15Å; E43-R45 PolarHBondContact O-N 3.11Å |
| 44 | I | 93.9 | Very high | 90.3 | Very high | 70 Ų | 70 | 99.6 Ų | 99.6 | 36% | 0.359 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 1.4 | 178.3 | 73.4 | -177 | 0 | 0 | 0 | 112.9 | A21 F40 W46 | A21-I44 HydrophobicContact CB-CD1 3.95Å; F40-I44 HydrophobicContact CD1-CD1 4.29Å; F40-I44 HydrophobicContact CD2-CG2 4.33Å; F40-I44 HydrophobicContact CE1-CD1 3.78Å; F40-I44 HydrophobicContact CE2-CD1 4.44Å; F40-I44 HydrophobicContact CE2-CG2 3.98Å; F40-I44 HydrophobicContact CZ-CD1 3.87Å; F40-I44 HydrophobicContact CZ-CG2 4.36Å; F40-I44 WeakPolarHBondContact O-CG1 3.44Å; F40-I44 PolarHBondContact O-N 3.38Å; F40-I44 VanDerWaalsContact O-N 3.17Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.09Å; I44-W46 HydrophobicContact CD1-CD2 4.35Å; I44-W46 HydrophobicContact CD1-CE3 3.72Å; I44-W46 HydrophobicContact CG1-CB 3.86Å; I44-W46 HydrophobicContact CG1-CE3 4.38Å; I44-W46 PolarHBondContact O-N 3.42Å |
| 45 | R | 93.1 | Very high | 89.7 | Confident | 207 Ų | 207 | 98.7 Ų | 98.7 | 78% | 0.781 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 52.7 | -175.3 | -57.2 | -178.9 | 179 | -170.5 | -1.2 | 111.4 | L41 S42 E43 E47 | L41-R45 PolarHBondContact O-N 3.31Å; S42-R45 PolarHBondContact O-N 3.48Å; E43-R45 PolarHBondContact O-N 3.11Å; R45-E47 PolarHBondContact O-N 2.92Å |
| 46 | W | 93.6 | Very high | 88.9 | Confident | 46 Ų | 46 | 93.1 Ų | 93.1 | 17% | 0.174 | 49% | 0.486 | C | S | . | . | trans | -72.8 | 115.1 | -178 | -169.5 | -92.8 | 0 | 0 | 0 | 111.1 | E18 A21 L22 L41 I44 K48 | E18-W46 HydrophobicContact CB-CH2 4.23Å; E18-W46 HydrophobicContact CB-CZ3 4.4Å; E18-W46 WeakPolarHBondContact O-CH2 3.37Å; A21-W46 HydrophobicContact CB-CE3 4.35Å; A21-W46 HydrophobicContact CB-CZ3 3.9Å; L22-W46 HydrophobicContact CD1-CH2 4.01Å; L22-W46 HydrophobicContact CD1-CZ2 3.76Å; L22-W46 HydrophobicContact CD2-CZ2 4.38Å; L22-W46 HydrophobicContact CG-CH2 3.93Å; L22-W46 HydrophobicContact CG-CZ2 3.61Å; L41-W46 HydrophobicContact CB-CB 4.12Å; L41-W46 HydrophobicContact CD2-CB 3.71Å; L41-W46 HydrophobicContact CD2-CD2 4.36Å; L41-W46 HydrophobicContact CD2-CG 3.69Å; L41-W46 HydrophobicContact CG-CB 4.47Å; L41-W46 PolarHBondContact O-N 3.37Å; I44-W46 VanDerWaalsContact C-N 3.33Å; I44-W46 HydrophobicContact CD1-CB 4.09Å; I44-W46 HydrophobicContact CD1-CD2 4.35Å; I44-W46 HydrophobicContact CD1-CE3 3.72Å; I44-W46 HydrophobicContact CG1-CB 3.86Å; I44-W46 HydrophobicContact CG1-CE3 4.38Å; I44-W46 PolarHBondContact O-N 3.42Å; W46-K48 HydrophobicContact CH2-CD 4.38Å; W46-K48 HydrophobicContact CZ2-CB 3.81Å; W46-K48 HydrophobicContact CZ2-CD 4.24Å; W46-K48 PolarHBondContact NE1-O 3.17Å | ||
| 47 | E | 88.4 | Confident | 88.5 | Confident | 181 Ų | 181 | 90.3 Ų | 90.3 | 85% | 0.846 | 47% | 0.467 | S | S | * | . | trans | -110.6 | 1.2 | -177.1 | -66.6 | 178.2 | -175.8 | 0 | 0 | 113.2 | R45 | R45-E47 PolarHBondContact O-N 2.92Š| ||
| 48 | K | 87.8 | Confident | 88.3 | Confident | 104 Ų | 104 | 94.1 Ų | 94.1 | 45% | 0.452 | 48% | 0.484 | S | S | . | . | S | Bend | trans | -92.6 | 147.6 | -175.3 | -65.2 | 174 | 174.3 | 176.4 | 0 | 111.4 | E18 W46 | E18-K48 IonicContact OE1-NZ 2.65Å; E18-K48 PolarHBondContact OE1-NZ 3.36Å; E18-K48 IonicContact OE2-NZ 2.68Å; E18-K48 PolarHBondContact OE2-NZ 3.24Å; W46-K48 HydrophobicContact CH2-CD 4.38Å; W46-K48 HydrophobicContact CZ2-CB 3.81Å; W46-K48 HydrophobicContact CZ2-CD 4.24Å; W46-K48 PolarHBondContact NE1-O 3.17Å |
| 49 | N | 84.2 | Confident | 88.4 | Confident | 163 Ų | 163 | 89.6 Ų | 89.6 | 87% | 0.872 | 46% | 0.464 | S | S | * | . | trans | -60.3 | 140.9 | 173.5 | -72.5 | -62.7 | 0 | 0 | 0 | 111.3 | ||||
| 50 | I | 81.3 | Confident | 88.1 | Confident | 53 Ų | 53 | 90 Ų | 90 | 27% | 0.272 | 46% | 0.461 | S | S | . | . | trans | -110.1 | 121.7 | -178.1 | -57.3 | 174.5 | 0 | 0 | 0 | 109.2 | L22 Y25 L41 L52 | L22-I50 HydrophobicContact CD2-CB 4.45Å; L22-I50 HydrophobicContact CD2-CG1 4.39Å; L22-I50 HydrophobicContact CD2-CG2 3.86Å; Y25-I50 HydrophobicContact CD1-CD1 3.81Å; Y25-I50 HydrophobicContact CD1-CG2 3.79Å; Y25-I50 HydrophobicContact CE1-CB 4.44Å; Y25-I50 HydrophobicContact CE1-CD1 3.57Å; Y25-I50 HydrophobicContact CE1-CG2 3.68Å; Y25-I50 HydrophobicContact CG-CD1 4.38Å; L41-I50 HydrophobicContact CD1-CD1 3.37Å; L41-I50 HydrophobicContact CD2-CD1 3.8Å; L41-I50 HydrophobicContact CG-CD1 4.24Å; I50-L52 HydrophobicContact CG2-CD2 3.93Å; I50-L52 HydrophobicContact CG2-CG 4.29Å | ||
| 51 | T | 81.5 | Confident | 87.9 | Confident | 125 Ų | 125 | 89.8 Ų | 89.8 | 77% | 0.767 | 47% | 0.466 | S | S | * | . | trans | -103.3 | 120 | 168.3 | 52.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 52 | L | 82.3 | Confident | 88 | Confident | 99 Ų | 99 | 93.9 Ų | 93.9 | 52% | 0.518 | 48% | 0.479 | S | S | . | . | trans | -90.3 | 137.1 | 178.6 | -63.2 | 171.7 | 0 | 0 | 0 | 110.3 | Y25 E26 L29 I50 | Y25-L52 HydrophobicContact CD1-CD2 4.19Å; Y25-L52 HydrophobicContact CE1-CD2 3.95Å; E26-L52 HydrophobicContact CB-CD2 4.39Å; L29-L52 HydrophobicContact CD1-CD1 3.63Å; L29-L52 HydrophobicContact CD1-CD2 3.54Å; L29-L52 HydrophobicContact CD1-CG 4.24Å; I50-L52 HydrophobicContact CG2-CD2 3.93Å; I50-L52 HydrophobicContact CG2-CG 4.29Å | ||
| 53 | G | 79.8 | Confident | 88.1 | Confident | 37 Ų | 37 | 96.6 Ų | 96.6 | 38% | 0.381 | 48% | 0.477 | S | S | . | . | trans | -87.5 | 175.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E26 H30 | E26-G53 VanDerWaalsContact OE1-CA 3.23Å; E26-G53 WeakPolarHBondContact OE1-CA 3.4Å; E26-G53 PolarHBondContact OE1-N 2.96Å; H30-G53 PolarHBondContact NE2-O 2.84Å | ||
| 54 | E | 82.3 | Confident | 87.9 | Confident | 148 Ų | 148 | 92.7 Ų | 92.7 | 69% | 0.692 | 46% | 0.464 | S | S | * | . | S | Bend | trans | -66.3 | 140.2 | 173.2 | -71.2 | -70.5 | 156.2 | 0 | 0 | 110.7 | G57 | E54-G57 PolarHBondContact O-N 3.35Å; E54-G57 VanDerWaalsContact O-N 3.15Å |
| 55 | P | 81.7 | Confident | 87.9 | Confident | 83 Ų | 83 | 91 Ų | 91 | 54% | 0.539 | 46% | 0.458 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 145.2 | 172.7 | 26.4 | -33.1 | 0 | 0 | 0 | 110.5 | ||
| 56 | P | 78.2 | Confident | 88 | Confident | 64 Ų | 64 | 85.8 Ų | 85.8 | 42% | 0.416 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -88.2 | 8.7 | 14.7 | 35.6 | -37.3 | 0 | 0 | 0 | 115.7 | H30 H60 | H30-P56 VanDerWaalsContact ND1-C 3.32Å; H30-P56 PolarHBondContact ND1-O 3.05Å; P56-H60 HydrophobicContact CB-CB 4.44Å; P56-H60 VanDerWaalsContact O-CB 3.32Å; P56-H60 WeakPolarHBondContact O-CB 3.47Å |
| 57 | G | 88.7 | Confident | 87.9 | Confident | 7 Ų | 7 | 89.6 Ų | 89.6 | 7% | 0.072 | 46% | 0.455 | C | S | . | . | trans | 86.4 | 162.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | H30 E54 S61 | H30-G57 VanDerWaalsContact CE1-CA 3.42Å; H30-G57 WeakPolarHBondContact CE1-CA 3.41Å; H30-G57 PolarHBondContact CE1-N 3.39Å; H30-G57 VanDerWaalsContact ND1-CA 3.33Å; H30-G57 WeakPolarHBondContact ND1-CA 3.45Å; H30-G57 PolarHBondContact ND1-N 2.86Å; E54-G57 PolarHBondContact O-N 3.35Å; E54-G57 VanDerWaalsContact O-N 3.15Å; G57-S61 PolarHBondContact O-N 3.44Å; G57-S61 PolarHBondContact O-OG 3.42Å | ||
| 58 | F | 91.1 | Very high | 88.2 | Confident | 81 Ų | 81 | 82.7 Ų | 82.7 | 36% | 0.355 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.9 | -48.2 | -174.2 | 177.5 | -93.7 | 0 | 0 | 0 | 112.2 | Y23 E26 H60 S61 W62 | Y23-F58 HydrophobicContact CD1-CB 3.75Å; Y23-F58 AromaticContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CD1 3.8Å; Y23-F58 HydrophobicContact CD1-CG 4.05Å; Y23-F58 AromaticContact CD2-CD1 3.5Å; Y23-F58 HydrophobicContact CD2-CD1 3.5Å; Y23-F58 AromaticContact CD2-CE1 3.86Å; Y23-F58 HydrophobicContact CD2-CE1 3.86Å; Y23-F58 HydrophobicContact CE1-CB 3.8Å; Y23-F58 AromaticContact CE1-CD1 3.72Å; Y23-F58 HydrophobicContact CE1-CD1 3.72Å; Y23-F58 HydrophobicContact CE1-CE1 4.48Å; Y23-F58 AromaticContact CE1-CG 3.81Å; Y23-F58 HydrophobicContact CE1-CG 3.81Å; Y23-F58 AromaticContact CE2-CD1 3.4Å; Y23-F58 HydrophobicContact CE2-CD1 3.4Å; Y23-F58 AromaticContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CE1 3.47Å; Y23-F58 VanDerWaalsContact CE2-CE1 3.47Å; Y23-F58 HydrophobicContact CE2-CG 4.27Å; Y23-F58 HydrophobicContact CE2-CZ 4.38Å; Y23-F58 HydrophobicContact CG-CB 4.36Å; Y23-F58 AromaticContact CG-CD1 3.7Å; Y23-F58 HydrophobicContact CG-CD1 3.7Å; Y23-F58 HydrophobicContact CG-CG 4.41Å; Y23-F58 AromaticContact CZ-CD1 3.51Å; Y23-F58 AromaticContact CZ-CE1 3.82Å; Y23-F58 AromaticContact CZ-CG 3.91Å; E26-F58 PolarHBondContact OE2-N 3.14Å; F58-H60 PolarHBondContact O-N 2.98Å; F58-S61 PolarHBondContact O-N 2.92Å; F58-W62 AromaticContact CE1-CD1 3.99Å; F58-W62 HydrophobicContact CE1-CG 4.44Å; F58-W62 AromaticContact CE2-CD1 3.7Å; F58-W62 AromaticContact CZ-CD1 3.38Å; F58-W62 HydrophobicContact CZ-CG 4.22Å; F58-W62 AromaticContact CZ-NE1 3.92Å; F58-W62 WeakPolarHBondContact O-CB 3.13Å; F58-W62 PolarHBondContact O-N 3Å |
| 59 | L | 93.1 | Very high | 88.4 | Confident | 46 Ų | 46 | 79.8 Ų | 79.8 | 24% | 0.241 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -61 | -44.9 | -175.6 | -175.5 | 61.5 | 0 | 0 | 0 | 111.9 | L20 V24 Y27 W62 W63 | L20-L59 HydrophobicContact CD1-CD1 4.4Å; V24-L59 HydrophobicContact CG2-CD2 3.9Å; Y27-L59 HydrophobicContact CG-CD2 4.38Å; L59-W62 PolarHBondContact O-N 3.25Å; L59-W63 WeakPolarHBondContact O-CB 3.43Å; L59-W63 PolarHBondContact O-N 2.96Å |
| 60 | H | 91.4 | Very high | 88.7 | Confident | 74 Ų | 74 | 76.1 Ų | 76.1 | 34% | 0.343 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -63.5 | -48.7 | -179 | -172.4 | 75.9 | 0 | 0 | 0 | 111.1 | Y27 P56 F58 W62 W63 C64 | Y27-H60 HydrophobicContact CD2-CB 4.17Å; Y27-H60 HydrophobicContact CE2-CB 4.43Å; Y27-H60 AromaticContact CE2-ND1 3.86Å; P56-H60 HydrophobicContact CB-CB 4.44Å; P56-H60 VanDerWaalsContact O-CB 3.32Å; P56-H60 WeakPolarHBondContact O-CB 3.47Å; F58-H60 PolarHBondContact O-N 2.98Å; H60-W62 PolarHBondContact O-N 3.46Å; H60-W63 PolarHBondContact O-N 3.34Å; H60-C64 PolarHBondContact O-N 3.31Å; H60-C64 PolarHBondContact O-SG 3.28Å |
| 61 | S | 91.4 | Very high | 89.1 | Confident | 44 Ų | 44 | 73.8 Ų | 73.8 | 31% | 0.308 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57.5 | -50.1 | 179 | -55.2 | 0 | 0 | 0 | 0 | 111 | G57 F58 W63 C64 V65 | G57-S61 PolarHBondContact O-N 3.44Å; G57-S61 PolarHBondContact O-OG 3.42Å; F58-S61 PolarHBondContact O-N 2.92Å; S61-W63 PolarHBondContact O-N 3.28Å; S61-C64 PolarHBondContact O-N 2.93Å; S61-V65 WeakPolarHBondContact O-CG2 3.2Å; S61-V65 PolarHBondContact O-N 3.43Å |
| 62 | W | 94.8 | Very high | 89.4 | Confident | 116 Ų | 116 | 67.8 Ų | 67.8 | 44% | 0.439 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.6 | -39.5 | -179.7 | -131.8 | 103.4 | 0 | 0 | 0 | 112.4 | F58 L59 H60 V65 F66 M125 | F58-W62 AromaticContact CE1-CD1 3.99Å; F58-W62 HydrophobicContact CE1-CG 4.44Å; F58-W62 AromaticContact CE2-CD1 3.7Å; F58-W62 AromaticContact CZ-CD1 3.38Å; F58-W62 HydrophobicContact CZ-CG 4.22Å; F58-W62 AromaticContact CZ-NE1 3.92Å; F58-W62 WeakPolarHBondContact O-CB 3.13Å; F58-W62 PolarHBondContact O-N 3Å; L59-W62 PolarHBondContact O-N 3.25Å; H60-W62 PolarHBondContact O-N 3.46Å; W62-V65 PolarHBondContact O-N 3.3Å; W62-F66 HydrophobicContact CE3-CB 4.33Å; W62-F66 HydrophobicContact CZ3-CB 4.41Å; W62-F66 WeakPolarHBondContact O-CB 3.34Å; W62-F66 PolarHBondContact O-N 3.31Å; W62-M125 HydrophobicContact CG-CE 4.06Å |
| 63 | W | 95.2 | Very high | 89.7 | Confident | 139 Ų | 139 | 63.6 Ų | 63.6 | 53% | 0.527 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -64.9 | -40.7 | 178 | -177.9 | -104.6 | 0 | 0 | 0 | 112.2 | L59 H60 S61 V65 F66 W67 | L59-W63 WeakPolarHBondContact O-CB 3.43Å; L59-W63 PolarHBondContact O-N 2.96Å; H60-W63 PolarHBondContact O-N 3.34Å; S61-W63 PolarHBondContact O-N 3.28Å; W63-V65 VanDerWaalsContact C-N 3.32Å; W63-V65 PolarHBondContact O-N 3.43Å; W63-F66 AromaticContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CE1 4.48Å; W63-F66 HydrophobicContact CH2-CD1 4.08Å; W63-F66 HydrophobicContact CH2-CE1 4.01Å; W63-F66 AromaticContact CZ3-CD1 3.59Å; W63-F66 HydrophobicContact CZ3-CD1 3.59Å; W63-F66 AromaticContact CZ3-CE1 3.77Å; W63-F66 HydrophobicContact CZ3-CE1 3.77Å; W63-F66 PolarHBondContact O-N 2.86Å; W63-W67 HydrophobicContact CZ2-CE3 4.19Å; W63-W67 VanDerWaalsContact O-CB 3.28Å; W63-W67 WeakPolarHBondContact O-CB 2.94Å; W63-W67 PolarHBondContact O-N 2.94Å |
| 64 | C | 93.2 | Very high | 89.6 | Confident | 59 Ų | 59 | 64.6 Ų | 64.6 | 40% | 0.399 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 174.9 | -73.1 | 0 | 0 | 0 | 0 | 111.7 | H60 S61 W67 D68 | H60-C64 PolarHBondContact O-N 3.31Å; H60-C64 PolarHBondContact O-SG 3.28Å; S61-C64 PolarHBondContact O-N 2.93Å; C64-W67 PolarHBondContact O-N 3.39Å; C64-D68 VanDerWaalsContact O-CB 3.31Å; C64-D68 WeakPolarHBondContact O-CB 3.36Å; C64-D68 PolarHBondContact O-N 3.49Å |
| 65 | V | 92.9 | Very high | 89.6 | Confident | 36 Ų | 36 | 65 Ų | 65 | 22% | 0.218 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64 | -48.2 | 176.8 | -179.8 | 0 | 0 | 0 | 0 | 111 | S61 W62 W63 W67 D68 L69 F124 | S61-V65 WeakPolarHBondContact O-CG2 3.2Å; S61-V65 PolarHBondContact O-N 3.43Å; W62-V65 PolarHBondContact O-N 3.3Å; W63-V65 VanDerWaalsContact C-N 3.32Å; W63-V65 PolarHBondContact O-N 3.43Å; V65-W67 VanDerWaalsContact C-N 3.33Å; V65-W67 PolarHBondContact O-N 3.35Å; V65-D68 PolarHBondContact O-N 2.99Å; V65-L69 HydrophobicContact CG1-CD1 3.76Å; V65-L69 WeakPolarHBondContact O-CD1 3.28Å; V65-L69 PolarHBondContact O-N 3.47Å; V65-F124 HydrophobicContact CB-CD1 4.45Å; V65-F124 HydrophobicContact CB-CE1 4.16Å; V65-F124 HydrophobicContact CG1-CD1 3.94Å; V65-F124 HydrophobicContact CG1-CE1 3.59Å; V65-F124 HydrophobicContact CG1-CZ 4.49Å; V65-F124 HydrophobicContact CG2-CD1 3.61Å; V65-F124 HydrophobicContact CG2-CE1 3.53Å |
| 66 | F | 94.8 | Very high | 89.4 | Confident | 96 Ų | 96 | 66.3 Ų | 66.3 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -57.7 | -46.8 | 178.3 | 171.6 | -96.7 | 0 | 0 | 0 | 111.8 | W62 W63 D68 L69 Y70 | W62-F66 HydrophobicContact CE3-CB 4.33Å; W62-F66 HydrophobicContact CZ3-CB 4.41Å; W62-F66 WeakPolarHBondContact O-CB 3.34Å; W62-F66 PolarHBondContact O-N 3.31Å; W63-F66 AromaticContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CD1 3.85Å; W63-F66 HydrophobicContact CE3-CE1 4.48Å; W63-F66 HydrophobicContact CH2-CD1 4.08Å; W63-F66 HydrophobicContact CH2-CE1 4.01Å; W63-F66 AromaticContact CZ3-CD1 3.59Å; W63-F66 HydrophobicContact CZ3-CD1 3.59Å; W63-F66 AromaticContact CZ3-CE1 3.77Å; W63-F66 HydrophobicContact CZ3-CE1 3.77Å; W63-F66 PolarHBondContact O-N 2.86Å; F66-D68 VanDerWaalsContact C-N 3.35Å; F66-L69 PolarHBondContact O-N 3.09Å; F66-Y70 VanDerWaalsContact O-CB 3.29Å; F66-Y70 WeakPolarHBondContact O-CB 3.14Å; F66-Y70 PolarHBondContact O-N 3.37Å |
| 67 | W | 92.9 | Very high | 89.2 | Confident | 127 Ų | 127 | 66.8 Ų | 66.8 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63.5 | -42 | 179.9 | -174 | -103.5 | 0 | 0 | 0 | 111.8 | W63 C64 V65 Y70 C71 | W63-W67 HydrophobicContact CZ2-CE3 4.19Å; W63-W67 VanDerWaalsContact O-CB 3.28Å; W63-W67 WeakPolarHBondContact O-CB 2.94Å; W63-W67 PolarHBondContact O-N 2.94Å; C64-W67 PolarHBondContact O-N 3.39Å; V65-W67 VanDerWaalsContact C-N 3.33Å; V65-W67 PolarHBondContact O-N 3.35Å; W67-Y70 HydrophobicContact CE3-CD1 4.02Å; W67-Y70 HydrophobicContact CH2-CD1 4.25Å; W67-Y70 HydrophobicContact CH2-CE1 4.22Å; W67-Y70 AromaticContact CZ3-CD1 3.79Å; W67-Y70 HydrophobicContact CZ3-CD1 3.79Å; W67-Y70 AromaticContact CZ3-CE1 3.93Å; W67-Y70 HydrophobicContact CZ3-CE1 3.93Å; W67-Y70 WeakPolarHBondContact O-CB 3.35Å; W67-Y70 PolarHBondContact O-N 3.5Å; W67-Y70 VanDerWaalsContact O-N 3.16Å; W67-C71 VanDerWaalsContact CE2-SG 3.6Å; W67-C71 PolarHBondContact NE1-SG 3.43Å; W67-C71 VanDerWaalsContact NE1-SG 3.45Å; W67-C71 WeakPolarHBondContact O-CB 3.44Å; W67-C71 PolarHBondContact O-N 3.18Å; W67-C71 PolarHBondContact O-SG 3.27Å; W67-C71 VanDerWaalsContact O-SG 3.39Å |
| 68 | D | 92.7 | Very high | 88.5 | Confident | 35 Ų | 35 | 74.5 Ų | 74.5 | 19% | 0.187 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 177.2 | -170.2 | 34.2 | 0 | 0 | 0 | 111.9 | C64 V65 F66 Y70 C71 A72 S83 A86 | C64-D68 VanDerWaalsContact O-CB 3.31Å; C64-D68 WeakPolarHBondContact O-CB 3.36Å; C64-D68 PolarHBondContact O-N 3.49Å; V65-D68 PolarHBondContact O-N 2.99Å; F66-D68 VanDerWaalsContact C-N 3.35Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; D68-Y70 PolarHBondContact O-N 3.42Å; D68-C71 PolarHBondContact O-N 3.34Å; D68-A72 VanDerWaalsContact O-CB 3.28Å; D68-A72 WeakPolarHBondContact O-CB 3.28Å; D68-A72 PolarHBondContact O-N 2.99Å; D68-S83 WeakPolarHBondContact OD1-CB 3.41Å; D68-S83 PolarHBondContact OD1-N 3.42Å; D68-S83 WeakPolarHBondContact OD2-CB 3.48Å; D68-A86 HydrophobicContact CB-CB 4.37Å; D68-A86 WeakPolarHBondContact OD2-CB 3.31Å |
| 69 | L | 92.6 | Very high | 87.8 | Confident | 44 Ų | 44 | 76.3 Ų | 76.3 | 23% | 0.23 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.5 | -37.6 | 172.2 | -88.8 | 78.9 | 0 | 0 | 0 | 112.2 | V65 F66 A72 A73 A86 F89 H90 | V65-L69 HydrophobicContact CG1-CD1 3.76Å; V65-L69 WeakPolarHBondContact O-CD1 3.28Å; V65-L69 PolarHBondContact O-N 3.47Å; F66-L69 PolarHBondContact O-N 3.09Å; L69-A72 PolarHBondContact O-N 3.29Å; L69-A73 PolarHBondContact O-N 2.93Å; L69-A86 HydrophobicContact CD1-CB 4.16Å; L69-A86 HydrophobicContact CG-CB 4.38Å; L69-F89 HydrophobicContact CD2-CD1 3.73Å; L69-F89 HydrophobicContact CD2-CE1 3.89Å; L69-F89 HydrophobicContact CD2-CG 4.47Å; L69-F89 HydrophobicContact CG-CD1 4.47Å; L69-H90 PolarHBondContact O-NE2 3.46Å |
| 70 | Y | 90.1 | Very high | 87.1 | Confident | 86 Ų | 86 | 76.4 Ų | 76.4 | 34% | 0.337 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -66 | -42.5 | 178.2 | 178.7 | -103 | 0 | 0 | 0 | 112 | F66 W67 D68 A73 R76 | F66-Y70 VanDerWaalsContact O-CB 3.29Å; F66-Y70 WeakPolarHBondContact O-CB 3.14Å; F66-Y70 PolarHBondContact O-N 3.37Å; W67-Y70 HydrophobicContact CE3-CD1 4.02Å; W67-Y70 HydrophobicContact CH2-CD1 4.25Å; W67-Y70 HydrophobicContact CH2-CE1 4.22Å; W67-Y70 AromaticContact CZ3-CD1 3.79Å; W67-Y70 HydrophobicContact CZ3-CD1 3.79Å; W67-Y70 AromaticContact CZ3-CE1 3.93Å; W67-Y70 HydrophobicContact CZ3-CE1 3.93Å; W67-Y70 WeakPolarHBondContact O-CB 3.35Å; W67-Y70 PolarHBondContact O-N 3.5Å; W67-Y70 VanDerWaalsContact O-N 3.16Å; D68-Y70 VanDerWaalsContact C-N 3.32Å; D68-Y70 PolarHBondContact O-N 3.42Å; Y70-A73 VanDerWaalsContact O-CB 3.24Å; Y70-A73 WeakPolarHBondContact O-CB 3.49Å; Y70-A73 PolarHBondContact O-N 3.49Å; Y70-R76 VanDerWaalsContact CZ-CZ 3.44Å; Y70-R76 PolarHBondContact OH-NH1 3.41Å; Y70-R76 PolarHBondContact OH-NH2 3.22Å |
| 71 | C | 91.1 | Very high | 86.7 | Confident | 3 Ų | 3 | 80.9 Ų | 80.9 | 2% | 0.02 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -68.6 | -35 | 175.4 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | W67 D68 A73 R77 C80 H82 | W67-C71 VanDerWaalsContact CE2-SG 3.6Å; W67-C71 PolarHBondContact NE1-SG 3.43Å; W67-C71 VanDerWaalsContact NE1-SG 3.45Å; W67-C71 WeakPolarHBondContact O-CB 3.44Å; W67-C71 PolarHBondContact O-N 3.18Å; W67-C71 PolarHBondContact O-SG 3.27Å; W67-C71 VanDerWaalsContact O-SG 3.39Å; D68-C71 PolarHBondContact O-N 3.34Å; C71-A73 PolarHBondContact O-N 3.38Å; C71-R77 VanDerWaalsContact O-CA 3.27Å; C71-R77 WeakPolarHBondContact O-CA 3.42Å; C71-R77 PolarHBondContact O-N 2.83Å; C71-C80 HydrophobicContact CB-CB 3.82Å; C71-H82 HydrophobicContact CB-CB 3.98Å |
| 72 | A | 87.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 81.7 Ų | 81.7 | 0% | 0 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -6.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | D68 L69 H82 A86 | D68-A72 VanDerWaalsContact O-CB 3.28Å; D68-A72 WeakPolarHBondContact O-CB 3.28Å; D68-A72 PolarHBondContact O-N 2.99Å; L69-A72 PolarHBondContact O-N 3.29Å; A72-H82 HydrophobicContact CB-CB 3.99Å; A72-A86 HydrophobicContact CB-CB 3.62Å |
| 73 | A | 87.4 | Confident | 86.1 | Confident | 11 Ų | 11 | 78 Ų | 78 | 9% | 0.091 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -57.1 | 138.5 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | L69 Y70 C71 E75 R76 R77 | L69-A73 PolarHBondContact O-N 2.93Å; Y70-A73 VanDerWaalsContact O-CB 3.24Å; Y70-A73 WeakPolarHBondContact O-CB 3.49Å; Y70-A73 PolarHBondContact O-N 3.49Å; C71-A73 PolarHBondContact O-N 3.38Å; A73-E75 PolarHBondContact O-N 3.03Å; A73-R76 PolarHBondContact O-N 3.31Å; A73-R77 WeakPolarHBondContact O-CB 3.07Å; A73-R77 PolarHBondContact O-N 2.98Å |
| 74 | P | 78.3 | Confident | 85.6 | Confident | 57 Ų | 57 | 76 Ų | 76 | 37% | 0.37 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53 | -31.1 | -173.9 | -26.5 | 34.1 | 0 | 0 | 0 | 114.4 | R76 | P74-R76 VanDerWaalsContact C-N 3.33Š|
| 75 | E | 81.2 | Confident | 85.4 | Confident | 158 Ų | 158 | 78 Ų | 78 | 74% | 0.738 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -17.7 | -178.2 | -53.1 | 74.1 | -153.8 | 0 | 0 | 113.3 | A73 | A73-E75 PolarHBondContact O-N 3.03Š|
| 76 | R | 78.4 | Confident | 85.2 | Confident | 110 Ų | 110 | 76.3 Ų | 76.3 | 42% | 0.415 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.7 | -19.6 | -168.1 | -59.2 | 178 | -165.1 | -102.5 | 1.7 | 113.7 | Y70 A73 P74 E78 T79 C80 | Y70-R76 VanDerWaalsContact CZ-CZ 3.44Å; Y70-R76 PolarHBondContact OH-NH1 3.41Å; Y70-R76 PolarHBondContact OH-NH2 3.22Å; A73-R76 PolarHBondContact O-N 3.31Å; P74-R76 VanDerWaalsContact C-N 3.33Å; R76-E78 PolarHBondContact O-N 3.19Å; R76-T79 PolarHBondContact O-N 2.73Å; R76-T79 PolarHBondContact O-OG1 3.47Å; R76-C80 PolarHBondContact O-N 3.07Å |
| 77 | R | 74.8 | Confident | 84.8 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 28% | 0.275 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.3 | -172.5 | 69.8 | 178.6 | -179 | -153.6 | -0.8 | 115.8 | C71 A73 T79 H82 D91 | C71-R77 VanDerWaalsContact O-CA 3.27Å; C71-R77 WeakPolarHBondContact O-CA 3.42Å; C71-R77 PolarHBondContact O-N 2.83Å; A73-R77 WeakPolarHBondContact O-CB 3.07Å; A73-R77 PolarHBondContact O-N 2.98Å; R77-T79 VanDerWaalsContact C-N 3.27Å; R77-T79 PolarHBondContact O-N 2.96Å; R77-H82 WeakPolarHBondContact CB-NE2 3.49Å; R77-H82 PolarHBondContact O-NE2 2.93Å; R77-D91 IonicContact NH1-OD1 3.9Å; R77-D91 PolarHBondContact NH1-OD1 3.07Å |
| 78 | E | 72.3 | Confident | 84.5 | Confident | 169 Ų | 169 | 70.9 Ų | 70.9 | 79% | 0.79 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -15.8 | 175.8 | -58 | -70 | 150.2 | 0 | 0 | 112.8 | R76 | R76-E78 PolarHBondContact O-N 3.19Š|
| 79 | T | 77.4 | Confident | 84.2 | Confident | 120 Ų | 120 | 73 Ų | 73 | 74% | 0.736 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.7 | -10.9 | -172.2 | 57.2 | 0 | 0 | 0 | 0 | 114.5 | R76 R77 | R76-T79 PolarHBondContact O-N 2.73Å; R76-T79 PolarHBondContact O-OG1 3.47Å; R77-T79 VanDerWaalsContact C-N 3.27Å; R77-T79 PolarHBondContact O-N 2.96Å |
| 80 | C | 79.4 | Confident | 84 | Confident | 48 Ų | 48 | 73.2 Ų | 73.2 | 32% | 0.324 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -131 | 135.4 | -174.8 | -67.5 | 0 | 0 | 0 | 0 | 110.6 | C71 R76 H82 | C71-C80 HydrophobicContact CB-CB 3.82Å; R76-C80 PolarHBondContact O-N 3.07Å; C80-H82 PolarHBondContact O-CD2 3.16Å; C80-H82 PolarHBondContact O-N 3.29Å |
| 81 | D | 81.9 | Confident | 83.6 | Confident | 168 Ų | 168 | 71.8 Ų | 71.8 | 90% | 0.898 | 37% | 0.374 | S | S | * | . | trans | -63.3 | 132 | 171.4 | -71.2 | -43.7 | 0 | 0 | 0 | 110.3 | ||||
| 82 | H | 87.6 | Confident | 83.1 | Confident | 60 Ų | 60 | 80.4 Ų | 80.4 | 28% | 0.278 | 41% | 0.407 | S | S | . | . | trans | -145 | 156.2 | -178.6 | 60.3 | 57.2 | 0 | 0 | 0 | 111.7 | C71 A72 R77 C80 | C71-H82 HydrophobicContact CB-CB 3.98Å; A72-H82 HydrophobicContact CB-CB 3.99Å; R77-H82 WeakPolarHBondContact CB-NE2 3.49Å; R77-H82 PolarHBondContact O-NE2 2.93Å; C80-H82 PolarHBondContact O-CD2 3.16Å; C80-H82 PolarHBondContact O-N 3.29Å | ||
| 83 | S | 87.1 | Confident | 82.4 | Confident | 39 Ų | 39 | 83.4 Ų | 83.4 | 27% | 0.273 | 43% | 0.428 | S | S | . | . | trans | -69.9 | 149.6 | 175.1 | -175.1 | 0 | 0 | 0 | 0 | 112.1 | D68 E85 A86 K87 | D68-S83 WeakPolarHBondContact OD1-CB 3.41Å; D68-S83 PolarHBondContact OD1-N 3.42Å; D68-S83 WeakPolarHBondContact OD2-CB 3.48Å; S83-E85 PolarHBondContact O-N 3.39Å; S83-E85 PolarHBondContact OG-N 3.45Å; S83-A86 PolarHBondContact O-N 2.85Å; S83-K87 PolarHBondContact O-N 3.45Å; S83-K87 VanDerWaalsContact O-N 3.16Å | ||
| 84 | S | 84.3 | Confident | 81.3 | Confident | 97 Ų | 97 | 86 Ų | 86 | 68% | 0.678 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.7 | -28.8 | 170.9 | 52.8 | 0 | 0 | 0 | 0 | 112.7 | A88 | S84-A88 WeakPolarHBondContact O-CB 3.29Å; S84-A88 PolarHBondContact O-N 2.84Å; S84-A88 VanDerWaalsContact O-N 3.07Å |
| 85 | E | 88.7 | Confident | 80.4 | Confident | 100 Ų | 100 | 86.8 Ų | 86.8 | 47% | 0.467 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -69.9 | -43.9 | 177.9 | -65.4 | -178.2 | 165.6 | 0 | 0 | 111.4 | S83 A88 F89 | S83-E85 PolarHBondContact O-N 3.39Å; S83-E85 PolarHBondContact OG-N 3.45Å; E85-A88 PolarHBondContact O-N 3.45Å; E85-F89 PolarHBondContact O-N 3.41Å |
| 86 | A | 87.4 | Confident | 79.2 | Confident | 2 Ų | 2 | 83 Ų | 83 | 2% | 0.017 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D68 L69 A72 S83 F89 H90 | D68-A86 HydrophobicContact CB-CB 4.37Å; D68-A86 WeakPolarHBondContact OD2-CB 3.31Å; L69-A86 HydrophobicContact CD1-CB 4.16Å; L69-A86 HydrophobicContact CG-CB 4.38Å; A72-A86 HydrophobicContact CB-CB 3.62Å; S83-A86 PolarHBondContact O-N 2.85Å; A86-F89 WeakPolarHBondContact O-CB 3.47Å; A86-F89 PolarHBondContact O-N 3.28Å; A86-H90 PolarHBondContact O-CD2 2.77Å; A86-H90 PolarHBondContact O-N 3.29Å |
| 87 | K | 86.3 | Confident | 77.5 | Confident | 75 Ų | 75 | 80.4 Ų | 80.4 | 33% | 0.326 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 172.4 | -175.4 | -179.5 | -176.2 | -62.6 | 0 | 111.4 | S83 F89 H90 D91 | S83-K87 PolarHBondContact O-N 3.45Å; S83-K87 VanDerWaalsContact O-N 3.16Å; K87-F89 VanDerWaalsContact C-N 3.29Å; K87-F89 PolarHBondContact O-N 3.37Å; K87-H90 PolarHBondContact O-N 3.3Å; K87-D91 IonicContact NZ-OD1 2.63Å; K87-D91 IonicContact NZ-OD2 3.7Å; K87-D91 PolarHBondContact NZ-OD2 3.24Å; K87-D91 WeakPolarHBondContact O-CB 3.34Å; K87-D91 VanDerWaalsContact O-CG 3.29Å; K87-D91 PolarHBondContact O-N 3.16Å |
| 88 | A | 87.2 | Confident | 75.9 | Confident | 34 Ų | 34 | 82.9 Ų | 82.9 | 28% | 0.281 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | S84 E85 H90 D91 Y92 | S84-A88 WeakPolarHBondContact O-CB 3.29Å; S84-A88 PolarHBondContact O-N 2.84Å; S84-A88 VanDerWaalsContact O-N 3.07Å; E85-A88 PolarHBondContact O-N 3.45Å; A88-H90 PolarHBondContact O-N 2.93Å; A88-D91 PolarHBondContact O-N 3.28Å; A88-Y92 HydrophobicContact CB-CD2 4.21Å; A88-Y92 HydrophobicContact CB-CE2 4.15Å; A88-Y92 WeakPolarHBondContact O-CB 3.31Å; A88-Y92 WeakPolarHBondContact O-CD2 3.26Å; A88-Y92 PolarHBondContact O-N 3.39Å |
| 89 | F | 87.8 | Confident | 74.1 | Confident | 80 Ų | 80 | 78.7 Ų | 78.7 | 35% | 0.351 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 177.4 | -175 | -95.1 | 0 | 0 | 0 | 112.8 | L69 E85 A86 K87 S93 F120 | L69-F89 HydrophobicContact CD2-CD1 3.73Å; L69-F89 HydrophobicContact CD2-CE1 3.89Å; L69-F89 HydrophobicContact CD2-CG 4.47Å; L69-F89 HydrophobicContact CG-CD1 4.47Å; E85-F89 PolarHBondContact O-N 3.41Å; A86-F89 WeakPolarHBondContact O-CB 3.47Å; A86-F89 PolarHBondContact O-N 3.28Å; K87-F89 VanDerWaalsContact C-N 3.29Å; K87-F89 PolarHBondContact O-N 3.37Å; F89-S93 VanDerWaalsContact O-CB 3.31Å; F89-S93 WeakPolarHBondContact O-CB 3.24Å; F89-S93 PolarHBondContact O-N 2.8Å; F89-S93 PolarHBondContact O-OG 3.17Å; F89-F120 HydrophobicContact CD2-CE1 4.44Å; F89-F120 HydrophobicContact CE2-CE1 4.24Å |
| 90 | H | 86.6 | Confident | 72.6 | Confident | 47 Ų | 47 | 79.4 Ų | 79.4 | 22% | 0.218 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -69.1 | -42.2 | 174.6 | -78.6 | -71.7 | 0 | 0 | 0 | 112.4 | L69 A86 K87 A88 S93 A94 | L69-H90 PolarHBondContact O-NE2 3.46Å; A86-H90 PolarHBondContact O-CD2 2.77Å; A86-H90 PolarHBondContact O-N 3.29Å; K87-H90 PolarHBondContact O-N 3.3Å; A88-H90 PolarHBondContact O-N 2.93Å; H90-S93 PolarHBondContact O-N 3.05Å; H90-A94 VanDerWaalsContact O-CB 3.25Å; H90-A94 WeakPolarHBondContact O-CB 3.37Å; H90-A94 PolarHBondContact O-N 3.18Å |
| 91 | D | 82.4 | Confident | 71.1 | Confident | 57 Ų | 57 | 83.4 Ų | 83.4 | 31% | 0.305 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.8 | -39.4 | -179.7 | -70 | -20.7 | 0 | 0 | 0 | 111.9 | R77 K87 A88 A95 | R77-D91 IonicContact NH1-OD1 3.9Å; R77-D91 PolarHBondContact NH1-OD1 3.07Å; K87-D91 IonicContact NZ-OD1 2.63Å; K87-D91 IonicContact NZ-OD2 3.7Å; K87-D91 PolarHBondContact NZ-OD2 3.24Å; K87-D91 WeakPolarHBondContact O-CB 3.34Å; K87-D91 VanDerWaalsContact O-CG 3.29Å; K87-D91 PolarHBondContact O-N 3.16Å; A88-D91 PolarHBondContact O-N 3.28Å; D91-A95 VanDerWaalsContact O-CB 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.46Å; D91-A95 PolarHBondContact O-N 2.84Å |
| 92 | Y | 80.1 | Confident | 69.3 | Low | 183 Ų | 183 | 81.9 Ų | 81.9 | 72% | 0.718 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.9 | -37.6 | 173.7 | -77.2 | -61 | 0 | 0 | 0 | 112.3 | A88 A94 A95 A96 | A88-Y92 HydrophobicContact CB-CD2 4.21Å; A88-Y92 HydrophobicContact CB-CE2 4.15Å; A88-Y92 WeakPolarHBondContact O-CB 3.31Å; A88-Y92 WeakPolarHBondContact O-CD2 3.26Å; A88-Y92 PolarHBondContact O-N 3.39Å; Y92-A94 VanDerWaalsContact C-N 3.35Å; Y92-A95 PolarHBondContact O-N 2.96Å; Y92-A96 WeakPolarHBondContact O-CB 3.27Å; Y92-A96 PolarHBondContact O-N 3.39Å |
| 93 | S | 73.3 | Confident | 67.2 | Low | 64 Ų | 64 | 83.3 Ų | 83.3 | 45% | 0.448 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.9 | -37.9 | 175.4 | -62.9 | 0 | 0 | 0 | 0 | 111.8 | F89 H90 A96 A97 | F89-S93 VanDerWaalsContact O-CB 3.31Å; F89-S93 WeakPolarHBondContact O-CB 3.24Å; F89-S93 PolarHBondContact O-N 2.8Å; F89-S93 PolarHBondContact O-OG 3.17Å; H90-S93 PolarHBondContact O-N 3.05Å; S93-A96 PolarHBondContact O-N 3.33Å; S93-A97 PolarHBondContact O-N 3.3Å |
| 94 | A | 64.6 | Low | 65.3 | Low | 64 Ų | 64 | 84.3 Ų | 84.3 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.4 | -34.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | H90 Y92 A96 A97 | H90-A94 VanDerWaalsContact O-CB 3.25Å; H90-A94 WeakPolarHBondContact O-CB 3.37Å; H90-A94 PolarHBondContact O-N 3.18Å; Y92-A94 VanDerWaalsContact C-N 3.35Å; A94-A96 VanDerWaalsContact C-N 3.3Å; A94-A97 WeakPolarHBondContact O-CB 3.25Å; A94-A97 PolarHBondContact O-N 3.42Å |
| 95 | A | 59 | Low | 63.1 | Low | 74 Ų | 74 | 86.8 Ų | 86.8 | 61% | 0.612 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.7 | -19.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | D91 Y92 | D91-A95 VanDerWaalsContact O-CB 3.26Å; D91-A95 WeakPolarHBondContact O-CB 3.46Å; D91-A95 PolarHBondContact O-N 2.84Å; Y92-A95 PolarHBondContact O-N 2.96Å |
| 96 | A | 55.9 | Low | 60.6 | Low | 80 Ų | 80 | 87.4 Ų | 87.4 | 66% | 0.661 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -6.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y92 S93 A94 | Y92-A96 WeakPolarHBondContact O-CB 3.27Å; Y92-A96 PolarHBondContact O-N 3.39Å; S93-A96 PolarHBondContact O-N 3.33Å; A94-A96 VanDerWaalsContact C-N 3.3Å |
| 97 | A | 43.1 | Very low | 58.7 | Low | 54 Ų | 54 | 93.9 Ų | 93.9 | 45% | 0.446 | 60% | 0.597 | S | S | . | * | S | Bend | trans | -63.2 | 132.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | S93 A94 S99 | S93-A97 PolarHBondContact O-N 3.3Å; A94-A97 WeakPolarHBondContact O-CB 3.25Å; A94-A97 PolarHBondContact O-N 3.42Å; A97-S99 PolarHBondContact O-N 3.48Å |
| 98 | P | 41.6 | Very low | 57 | Low | 126 Ų | 126 | 93.4 Ų | 93.4 | 82% | 0.818 | 61% | 0.613 | S | S | * | * | trans | -57.7 | 110.2 | 173.7 | 24.5 | -31.5 | 0 | 0 | 0 | 107.4 | ||||
| 99 | S | 35.2 | Very low | 54.7 | Low | 80 Ų | 80 | 101.1 Ų | 101.1 | 56% | 0.559 | 64% | 0.643 | S | S | * | * | trans | -52.2 | 138.4 | 175 | -84.8 | 0 | 0 | 0 | 0 | 108.8 | A97 V101 | A97-S99 PolarHBondContact O-N 3.48Å; S99-V101 PolarHBondContact O-N 3.39Å | ||
| 100 | P | 45 | Very low | 52.6 | Low | 136 Ų | 136 | 101.2 Ų | 101.2 | 88% | 0.883 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -69.9 | 17.8 | 179.4 | 29.7 | -34.3 | 0 | 0 | 0 | 113.4 | M102 | P100-M102 PolarHBondContact O-N 2.63Š|
| 101 | V | 48.3 | Very low | 50.3 | Low | 132 Ų | 132 | 107.8 Ų | 107.8 | 80% | 0.8 | 70% | 0.7 | S | S | * | * | trans | -90.3 | 34.5 | -179 | 84.4 | 0 | 0 | 0 | 0 | 112.6 | S99 | S99-V101 PolarHBondContact O-N 3.39Š| ||
| 102 | M | 43.4 | Very low | 48.4 | Very low | 136 Ų | 136 | 111.1 Ų | 111.1 | 67% | 0.67 | 72% | 0.724 | S | S | * | * | trans | -137.1 | 62.3 | 168.5 | -150.6 | 169.4 | -157.7 | 0 | 0 | 111.2 | P100 G104 M105 | P100-M102 PolarHBondContact O-N 2.63Å; M102-G104 VanDerWaalsContact C-N 3.3Å; M102-G104 PolarHBondContact O-N 3.23Å; M102-M105 HydrophobicContact CE-CE 4.34Å | ||
| 103 | G | 44.3 | Very low | 46.8 | Very low | 89 Ų | 89 | 106.2 Ų | 106.2 | 92% | 0.918 | 73% | 0.729 | S | S | * | * | trans | -64.6 | 94.8 | 154 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 104 | G | 45.8 | Very low | 45.3 | Very low | 60 Ų | 60 | 106.2 Ų | 106.2 | 62% | 0.619 | 74% | 0.739 | S | S | * | * | trans | 127.6 | 74.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | M102 | M102-G104 VanDerWaalsContact C-N 3.3Å; M102-G104 PolarHBondContact O-N 3.23Å | ||
| 105 | M | 38.6 | Very low | 44.7 | Very low | 149 Ų | 149 | 109.1 Ų | 109.1 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -157.6 | 131.9 | 152.9 | -143.3 | 73.7 | 131 | 0 | 0 | 108.9 | M102 | M102-M105 HydrophobicContact CE-CE 4.34Š| ||
| 106 | P | 37.6 | Very low | 44.3 | Very low | 114 Ų | 114 | 112.6 Ų | 112.6 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | trans | -66.7 | 154.9 | -174 | 26.2 | -34.6 | 0 | 0 | 0 | 113.4 | G108 | P106-G108 PolarHBondContact O-N 3.01Š| ||
| 107 | P | 46.1 | Very low | 43.5 | Very low | 138 Ų | 138 | 113.6 Ų | 113.6 | 90% | 0.896 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -84.5 | 110.8 | -170.8 | 33.3 | -29.7 | 0 | 0 | 0 | 110.4 | ||
| 108 | G | 50.8 | Low | 43.4 | Very low | 65 Ų | 65 | 117.6 Ų | 117.6 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | 153.1 | 75 | 168.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | P106 | P106-G108 PolarHBondContact O-N 3.01Š| ||
| 109 | E | 39.6 | Very low | 43.6 | Very low | 196 Ų | 196 | 113.3 Ų | 113.3 | 92% | 0.916 | 76% | 0.758 | S | S | * | * | trans | -167.1 | 112.6 | 148.8 | -106 | 165.4 | -148.1 | 0 | 0 | 107.5 | ||||
| 110 | G | 43.8 | Very low | 44.2 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 84% | 0.835 | 76% | 0.757 | S | S | * | * | trans | -71.1 | 136 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 111 | M | 37.6 | Very low | 44.1 | Very low | 186 Ų | 186 | 114.8 Ų | 114.8 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | trans | -91 | 131.8 | 160.1 | -86.2 | -161.4 | 156.6 | 0 | 0 | 110 | G113 | M111-G113 PolarHBondContact O-N 2.92Å; M111-G113 VanDerWaalsContact O-N 3.17Å | ||
| 112 | P | 43.1 | Very low | 43.9 | Very low | 127 Ų | 127 | 115.4 Ų | 115.4 | 83% | 0.825 | 74% | 0.735 | S | S | * | * | trans | -73.9 | 109.4 | 175.8 | 30 | -29.9 | 0 | 0 | 0 | 108.5 | G114 | P112-G114 PolarHBondContact O-N 2.97Š| ||
| 113 | G | 45.8 | Very low | 43.7 | Very low | 80 Ų | 80 | 113.7 Ų | 113.7 | 83% | 0.825 | 74% | 0.736 | S | S | * | * | trans | -60 | 101.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | M111 | M111-G113 PolarHBondContact O-N 2.92Å; M111-G113 VanDerWaalsContact O-N 3.17Å | ||
| 114 | G | 41.1 | Very low | 43.8 | Very low | 63 Ų | 63 | 113.8 Ų | 113.8 | 65% | 0.649 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 142.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P112 M116 | P112-G114 PolarHBondContact O-N 2.97Å; G114-M116 PolarHBondContact O-N 3.39Å |
| 115 | P | 52.2 | Low | 43.6 | Very low | 126 Ų | 126 | 114.5 Ų | 114.5 | 82% | 0.818 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -66 | 134.5 | 175.4 | 26.6 | -31.8 | 0 | 0 | 0 | 110.3 | ||
| 116 | M | 51.6 | Low | 43.2 | Very low | 147 Ų | 147 | 111.1 Ų | 111.1 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 138 | 170 | -94.3 | -154.4 | -79.1 | 0 | 0 | 110.6 | G114 | G114-M116 PolarHBondContact O-N 3.39Š|
| 117 | P | 38.1 | Very low | 43.3 | Very low | 100 Ų | 100 | 110 Ų | 110 | 65% | 0.649 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 136.2 | 179.6 | 25.7 | -32.2 | 0 | 0 | 0 | 111.1 | G119 | P117-G119 PolarHBondContact O-N 3.32Š|
| 118 | P | 42.8 | Very low | 43.1 | Very low | 138 Ų | 138 | 113.6 Ų | 113.6 | 90% | 0.896 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | 97.8 | 176.9 | 29.1 | -30.5 | 0 | 0 | 0 | 108.7 | ||
| 119 | G | 45.3 | Very low | 42.1 | Very low | 36 Ų | 36 | 119 Ų | 119 | 37% | 0.371 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 165.2 | -18.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | P117 F121 Q122 | P117-G119 PolarHBondContact O-N 3.32Å; G119-F121 VanDerWaalsContact C-N 3.28Å; G119-F121 PolarHBondContact O-N 2.9Å; G119-Q122 PolarHBondContact O-N 3.35Å; G119-Q122 VanDerWaalsContact O-N 3.11Å |
| 120 | F | 48.3 | Very low | 42.1 | Very low | 126 Ų | 126 | 114.6 Ų | 114.6 | 55% | 0.553 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -38.7 | -179.7 | -172.6 | -103.8 | 0 | 0 | 0 | 113 | F89 | F89-F120 HydrophobicContact CD2-CE1 4.44Å; F89-F120 HydrophobicContact CE2-CE1 4.24Å |
| 121 | F | 42.9 | Very low | 41.8 | Very low | 122 Ų | 122 | 114.5 Ų | 114.5 | 54% | 0.535 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.8 | -14.6 | 178.5 | -72.7 | -84.2 | 0 | 0 | 0 | 114.7 | G119 S123 F124 | G119-F121 VanDerWaalsContact C-N 3.28Å; G119-F121 PolarHBondContact O-N 2.9Å; F121-S123 VanDerWaalsContact C-N 3.34Å; F121-S123 PolarHBondContact O-N 2.84Å; F121-F124 PolarHBondContact O-N 3.39Å |
| 122 | Q | 43.6 | Very low | 41.4 | Very low | 145 Ų | 145 | 109.1 Ų | 109.1 | 68% | 0.678 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.1 | -28.3 | -177.5 | -67.9 | -71.2 | -11.5 | 0 | 0 | 112.1 | G119 F124 | G119-Q122 PolarHBondContact O-N 3.35Å; G119-Q122 VanDerWaalsContact O-N 3.11Å; Q122-F124 VanDerWaalsContact C-N 3.3Å |
| 123 | S | 38.7 | Very low | 41.3 | Very low | 100 Ų | 100 | 109.5 Ų | 109.5 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -18.5 | 175 | -60.1 | 0 | 0 | 0 | 0 | 113.1 | F121 | F121-S123 VanDerWaalsContact C-N 3.34Å; F121-S123 PolarHBondContact O-N 2.84Å |
| 124 | F | 46.3 | Very low | 41.2 | Very low | 90 Ų | 90 | 117.4 Ų | 117.4 | 40% | 0.395 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.4 | -15.3 | -179.4 | -133.5 | -89.3 | 0 | 0 | 0 | 113.1 | V65 F121 Q122 | V65-F124 HydrophobicContact CB-CD1 4.45Å; V65-F124 HydrophobicContact CB-CE1 4.16Å; V65-F124 HydrophobicContact CG1-CD1 3.94Å; V65-F124 HydrophobicContact CG1-CE1 3.59Å; V65-F124 HydrophobicContact CG1-CZ 4.49Å; V65-F124 HydrophobicContact CG2-CD1 3.61Å; V65-F124 HydrophobicContact CG2-CE1 3.53Å; F121-F124 PolarHBondContact O-N 3.39Å; Q122-F124 VanDerWaalsContact C-N 3.3Å |
| 125 | M | 41 | Very low | 41.2 | Very low | 75 Ų | 75 | 117.3 Ų | 117.3 | 37% | 0.369 | 68% | 0.679 | S | S | . | * | S | Bend | trans | -108.4 | 5.2 | -172 | -70.4 | -80.6 | 175.9 | 0 | 0 | 114.2 | W62 | W62-M125 HydrophobicContact CG-CE 4.06Š|
| 126 | S | 31.1 | Very low | 40.7 | Very low | 79 Ų | 79 | 117.3 Ų | 117.3 | 55% | 0.552 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -75.9 | 129 | 176.4 | -69 | 0 | 0 | 0 | 0 | 110.4 | R128 | S126-R128 PolarHBondContact O-N 3.38Š|
| 127 | P | 39.5 | Very low | 40.3 | Very low | 90 Ų | 90 | 116 Ų | 116 | 58% | 0.584 | 68% | 0.682 | S | S | * | * | trans | -60.4 | 106.3 | 165.5 | -14.3 | 27.3 | 0 | 0 | 0 | 107.2 | F129 | P127-F129 PolarHBondContact O-N 3.36Š| ||
| 128 | R | 41.4 | Very low | 40.5 | Very low | 214 Ų | 214 | 120.3 Ų | 120.3 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | trans | -67.6 | 87.8 | 173.5 | -66.1 | -173.7 | -175.7 | -158 | 6.3 | 107.6 | S126 | S126-R128 PolarHBondContact O-N 3.38Š| ||
| 129 | F | 30.7 | Very low | 40.4 | Very low | 178 Ų | 178 | 125.4 Ų | 125.4 | 78% | 0.781 | 70% | 0.697 | S | S | * | * | trans | -64.6 | 147.1 | 165.9 | -100.4 | -84.1 | 0 | 0 | 0 | 110.4 | P127 G131 | P127-F129 PolarHBondContact O-N 3.36Å; F129-G131 PolarHBondContact O-N 2.81Å | ||
| 130 | A | 38.8 | Very low | 39.9 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -33.6 | 122.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 131 | G | 37.8 | Very low | 39.3 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 81% | 0.814 | 73% | 0.734 | S | S | * | * | trans | 172.2 | 30.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | F129 | F129-G131 PolarHBondContact O-N 2.81Š| ||
| 132 | G | 30.3 | Very low | 39.4 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 75% | 0.748 | S | S | * | * | trans | 75.2 | 175.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 133 | P | 40.5 | Very low | 39.1 | Very low | 134 Ų | 134 | 136.1 Ų | 136.1 | 87% | 0.87 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | cis | -96.3 | 159.5 | -20.3 | 36.4 | -25.4 | 0 | 0 | 0 | 112 | ||
| 134 | R | 42.7 | Very low | 38.6 | Very low | 247 Ų | 247 | 137.9 Ų | 137.9 | 93% | 0.932 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 142.1 | -171.7 | -62.8 | 173.3 | 119.7 | 94.2 | -1 | 112.7 | ||
| 135 | G | 41.8 | Very low | 38.5 | Very low | 60 Ų | 60 | 139.1 Ų | 139.1 | 62% | 0.619 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 169.3 | 161.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 136 | P | 41.7 | Very low | 38.3 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 136.5 | -170.6 | 26.9 | -32.8 | 0 | 0 | 0 | 111 | M138 | P136-M138 PolarHBondContact O-N 2.97Š|
| 137 | P | 44.1 | Very low | 38.3 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 121.9 | -177.2 | 30.2 | -30.7 | 0 | 0 | 0 | 109.9 | R139 | P137-R139 PolarHBondContact O-N 3.41Š|
| 138 | M | 41.8 | Very low | 38 | Very low | 189 Ų | 189 | 139.3 Ų | 139.3 | 93% | 0.931 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -50.2 | 118.1 | 157.4 | -83.3 | -98.4 | -149.2 | 0 | 0 | 108.9 | P136 M140 | P136-M138 PolarHBondContact O-N 2.97Å; M138-M140 PolarHBondContact O-N 3.05Å |
| 139 | R | 39.5 | Very low | 38 | Very low | 246 Ų | 246 | 135.5 Ų | 135.5 | 93% | 0.928 | 84% | 0.835 | S | S | * | * | trans | -62.2 | 112.5 | 172 | -84.3 | -179.2 | 163.9 | -153.1 | -2 | 109.6 | P137 | P137-R139 PolarHBondContact O-N 3.41Š| ||
| 140 | M | 36.7 | Very low | 38.4 | Very low | 181 Ų | 181 | 130.3 Ų | 130.3 | 89% | 0.892 | 83% | 0.832 | S | S | * | * | trans | -86.2 | 130 | 147.1 | -81.3 | -150.3 | -160.3 | 0 | 0 | 108.2 | M138 | M138-M140 PolarHBondContact O-N 3.05Š| ||
| 141 | P | 34.6 | Very low | 38.5 | Very low | 124 Ų | 124 | 131.3 Ų | 131.3 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -74 | 134.4 | 172.7 | 29.5 | -29.1 | 0 | 0 | 0 | 109.1 | ||
| 142 | N | 45.8 | Very low | 38.5 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 83% | 0.832 | S | S | * | * | trans | 100.1 | 62 | 164.5 | -157.2 | 55.8 | 0 | 0 | 0 | 118.1 | ||||
| 143 | Q | 36.9 | Very low | 39.4 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -150.7 | 139.1 | 145 | -66.5 | -158.3 | 20.5 | 0 | 0 | 112.8 | ||||
| 144 | T | 28.7 | Very low | 39.4 | Very low | 136 Ų | 136 | 140.9 Ų | 140.9 | 83% | 0.834 | 84% | 0.835 | S | S | * | * | trans | -158.8 | 154 | 168.2 | -52.7 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 145 | P | 42.7 | Very low | 39.4 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 76% | 0.76 | 83% | 0.83 | S | S | * | * | cis | -132.5 | 158.1 | -1.2 | 17.4 | 7.9 | 0 | 0 | 0 | 116.2 | ||||
| 146 | G | 36.5 | Very low | 39.8 | Very low | 86 Ų | 86 | 139.9 Ų | 139.9 | 89% | 0.887 | 84% | 0.84 | S | S | * | * | 70.8 | 125.9 | 125.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 147 | G | 31.5 | Very low | 39.6 | Very low | 81 Ų | 81 | 141.1 Ų | 141.1 | 84% | 0.835 | 84% | 0.839 | S | S | * | * | trans | 145.8 | 113.7 | 155.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 148 | G | 33.8 | Very low | 39.6 | Very low | 80 Ų | 80 | 143.8 Ų | 143.8 | 83% | 0.825 | 84% | 0.844 | S | S | * | * | trans | -77.7 | -147.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 149 | P | 41.5 | Very low | 39.5 | Very low | 134 Ų | 134 | 140.9 Ų | 140.9 | 87% | 0.87 | 83% | 0.832 | S | S | * | * | cis | -130.5 | 171.1 | -12.1 | 37.4 | -18.7 | 0 | 0 | 0 | 114.1 | ||||
| 150 | G | 38.7 | Very low | 39.9 | Very low | 70 Ų | 70 | 135 Ų | 135 | 72% | 0.722 | 83% | 0.826 | S | S | * | * | trans | -89.2 | 178.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 151 | P | 41.5 | Very low | 40.5 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | trans | -112.3 | 122.3 | 173.8 | 34.6 | -21.1 | 0 | 0 | 0 | 113 | ||||
| 152 | H | 38 | Very low | 40.7 | Very low | 187 Ų | 187 | 137.9 Ų | 137.9 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | -119.6 | 135.6 | 155.2 | -73.1 | -75.1 | 0 | 0 | 0 | 108.3 | ||||
| 153 | P | 49 | Very low | 40.9 | Very low | 125 Ų | 125 | 135.7 Ų | 135.7 | 81% | 0.812 | 82% | 0.818 | S | S | * | * | trans | -93.5 | 125.5 | 177.5 | 34 | -27 | 0 | 0 | 0 | 110.5 | ||||
| 154 | M | 39.3 | Very low | 40.7 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 87% | 0.867 | 82% | 0.82 | S | S | * | * | trans | -129.1 | 117.8 | 164.9 | -67.4 | -145.9 | 118.3 | 0 | 0 | 110.5 | ||||
| 155 | L | 43.8 | Very low | 41 | Very low | 161 Ų | 161 | 133.2 Ų | 133.2 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | trans | 30 | 144.2 | 149.9 | -59.9 | 171.3 | 0 | 0 | 0 | 122.1 | ||||
| 156 | P | 49.2 | Very low | 41.2 | Very low | 125 Ų | 125 | 136.9 Ų | 136.9 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | trans | -91.4 | 130.2 | -177.4 | 35.3 | -29.5 | 0 | 0 | 0 | 112.5 | ||||
| 157 | N | 38.4 | Very low | 41.9 | Very low | 152 Ų | 152 | 138.4 Ų | 138.4 | 81% | 0.813 | 82% | 0.818 | S | S | * | * | trans | -148.8 | 103.8 | 162.7 | -163.6 | 63 | 0 | 0 | 0 | 113 | ||||
| 158 | M | 44.5 | Very low | 42.3 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | trans | 36.6 | 118.3 | 144.7 | -80.9 | 179.6 | 156.1 | 0 | 0 | 123.4 | ||||
| 159 | D | 39.5 | Very low | 43 | Very low | 128 Ų | 128 | 146 Ų | 146 | 68% | 0.684 | 82% | 0.82 | S | S | * | * | trans | 78.4 | 117.2 | 132.3 | -151.3 | -14.5 | 0 | 0 | 0 | 122.1 | ||||
| 160 | P | 48.3 | Very low | 43 | Very low | 123 Ų | 123 | 143 Ų | 143 | 80% | 0.799 | 81% | 0.813 | S | S | * | * | trans | -98.5 | 95.6 | 173.5 | 37.1 | -28.2 | 0 | 0 | 0 | 113.2 | ||||
| 161 | T | 48.2 | Very low | 43.9 | Very low | 121 Ų | 121 | 145.7 Ų | 145.7 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | trans | -136.9 | 75.5 | 168.9 | 43 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 162 | R | 38.4 | Very low | 44 | Very low | 243 Ų | 243 | 148.8 Ų | 148.8 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | -169.4 | 124.9 | 150.9 | -148 | 167.7 | 177.4 | 148.3 | -1.9 | 114.4 | ||||
| 163 | P | 50.3 | Low | 44.2 | Very low | 110 Ų | 110 | 147 Ų | 147 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | trans | -100.3 | 170.8 | 165.3 | 36.6 | -28.1 | 0 | 0 | 0 | 112.4 | ||||
| 164 | Q | 33.7 | Very low | 43.7 | Very low | 202 Ų | 202 | 151.3 Ų | 151.3 | 94% | 0.944 | 82% | 0.816 | S | S | * | * | trans | 107.3 | 128.1 | 172.9 | -64 | -171.3 | -45.7 | 0 | 0 | 114.8 | ||||
| 165 | G | 34.1 | Very low | 43.7 | Very low | 76 Ų | 76 | 151 Ų | 151 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | cis | -177.7 | 159.9 | 6.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 166 | H | 46.3 | Very low | 43.3 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 89% | 0.894 | 81% | 0.811 | S | S | * | * | trans | -90.1 | 149.6 | 160.1 | -79.1 | -86.1 | 0 | 0 | 0 | 109.7 | ||||
| 167 | P | 52.8 | Low | 43 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 81% | 0.808 | S | S | * | * | -148.3 | 131.9 | 117.3 | 31.3 | -12.4 | 0 | 0 | 0 | 113 | |||||
| 168 | N | 40 | Very low | 43.7 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 80% | 0.802 | 81% | 0.812 | S | S | * | * | 93 | 154.3 | 76.9 | -159.7 | 14.3 | 0 | 0 | 0 | 114.1 | |||||
| 169 | L | 47.6 | Very low | 43.9 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | trans | 107.8 | 115.7 | -179.3 | -59.4 | 175.1 | 0 | 0 | 0 | 112.3 | ||||
| 170 | G | 41.2 | Very low | 43.6 | Very low | 70 Ų | 70 | 146.5 Ų | 146.5 | 72% | 0.722 | 82% | 0.819 | S | S | * | * | cis | 163.5 | 168.3 | 9.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 171 | P | 58.9 | Low | 43.1 | Very low | 128 Ų | 128 | 149.8 Ų | 149.8 | 83% | 0.831 | 83% | 0.826 | S | S | * | * | trans | -122.7 | 163.3 | -137.7 | 40 | -28.3 | 0 | 0 | 0 | 118.4 | ||||
| 172 | M | 41.7 | Very low | 42.6 | Very low | 189 Ų | 189 | 147 Ų | 147 | 93% | 0.931 | 82% | 0.821 | S | S | * | * | trans | -156.9 | 100.9 | 156.9 | -109.1 | 179.4 | -172 | 0 | 0 | 109.6 | ||||
| 173 | Q | 43.6 | Very low | 43.7 | Very low | 150 Ų | 150 | 141 Ų | 141 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | 76.5 | 106.5 | 87.5 | -75.2 | -78.2 | -15.2 | 0 | 0 | 117 | |||||
| 174 | R | 39 | Very low | 43.1 | Very low | 214 Ų | 214 | 144.7 Ų | 144.7 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | 61.2 | 126.5 | 144 | -70.2 | 172.7 | -178.8 | -110.3 | -1.1 | 119.1 | ||||
| 175 | M | 37.6 | Very low | 43.5 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | -163.1 | 146.3 | 68.6 | -161 | 78.5 | 143.4 | 0 | 0 | 112.3 | |||||
| 176 | S | 36.7 | Very low | 44.1 | Very low | 109 Ų | 109 | 141.3 Ų | 141.3 | 76% | 0.762 | 82% | 0.819 | S | S | * | * | trans | -67.6 | 145.8 | 176.4 | 41.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 177 | G | 42.5 | Very low | 43.6 | Very low | 72 Ų | 72 | 135.7 Ų | 135.7 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | -79.3 | -155.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 178 | P | 52.7 | Low | 43.4 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 90% | 0.903 | 82% | 0.815 | S | S | * | * | trans | -137.9 | 153.5 | 142.8 | 36.5 | -21.2 | 0 | 0 | 0 | 115.1 | ||||
| 179 | R | 48.3 | Very low | 43.2 | Very low | 257 Ų | 257 | 138.5 Ų | 138.5 | 97% | 0.97 | 82% | 0.822 | S | S | * | * | trans | -100.1 | 148 | 175.2 | -178.5 | -178.1 | -169.8 | 166.7 | 2.5 | 108.1 | ||||
| 180 | G | 33.5 | Very low | 42.6 | Very low | 71 Ų | 71 | 136.7 Ų | 136.7 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 148.7 | 148.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 181 | M | 37 | Very low | 42.4 | Very low | 191 Ų | 191 | 143 Ų | 143 | 94% | 0.941 | 82% | 0.821 | S | S | * | * | cis | -168.3 | 137.9 | 4.9 | -110.7 | 166.7 | 96.2 | 0 | 0 | 104.4 | ||||
| 182 | G | 39.5 | Very low | 41.3 | Very low | 63 Ų | 63 | 140.3 Ų | 140.3 | 65% | 0.649 | 82% | 0.816 | S | S | * | * | trans | -88.6 | -174.9 | 144.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 183 | P | 61 | Low | 41.1 | Very low | 118 Ų | 118 | 135.5 Ų | 135.5 | 77% | 0.766 | 82% | 0.815 | S | S | * | * | cis | -125.6 | -178.9 | -23.2 | 38.3 | -21.4 | 0 | 0 | 0 | 111.8 | ||||
| 184 | M | 37.8 | Very low | 41.1 | Very low | 186 Ų | 186 | 131.7 Ų | 131.7 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | 161.8 | 129.1 | 141 | -92.4 | -179.3 | -68.7 | 0 | 0 | 112.2 | ||||
| 185 | G | 41 | Very low | 41.3 | Very low | 72 Ų | 72 | 131.2 Ų | 131.2 | 74% | 0.742 | 83% | 0.826 | S | S | * | * | trans | -73.7 | -168 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 186 | P | 47.4 | Very low | 41.7 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 88% | 0.877 | 83% | 0.828 | S | S | * | * | cis | -137 | 173.1 | 41.5 | 31.1 | -7.3 | 0 | 0 | 0 | 116.2 | ||||
| 187 | G | 36.6 | Very low | 42.8 | Very low | 76 Ų | 76 | 134.3 Ų | 134.3 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | trans | -74.6 | -148 | -169.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 188 | P | 47.1 | Very low | 43.2 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | cis | -133.7 | 166 | -1 | 40.5 | -23.4 | 0 | 0 | 0 | 115.6 | ||||
| 189 | Q | 37.3 | Very low | 42.7 | Very low | 204 Ų | 204 | 139.6 Ų | 139.6 | 95% | 0.953 | 83% | 0.83 | S | S | * | * | trans | -177.5 | 139.6 | 132.7 | -97.2 | 167.3 | 27.9 | 0 | 0 | 111.4 | ||||
| 190 | N | 34.4 | Very low | 42.8 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 83% | 0.825 | S | S | * | * | trans | -93.7 | 145.9 | -161.6 | -173.7 | 23.9 | 0 | 0 | 0 | 111.6 | ||||
| 191 | F | 36.7 | Very low | 42.7 | Very low | 203 Ų | 203 | 136.1 Ų | 136.1 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | 176.9 | 104.2 | 131.7 | -103.1 | -77.2 | 0 | 0 | 0 | 111.4 | ||||
| 192 | G | 35 | Very low | 42.6 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 83% | 0.828 | S | S | * | * | trans | 53 | 112.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 193 | G | 37.8 | Very low | 42.6 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 91% | 0.907 | 83% | 0.831 | S | S | * | * | 68.4 | 112 | 50.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 194 | G | 44.5 | Very low | 42.1 | Very low | 70 Ų | 70 | 137.6 Ų | 137.6 | 72% | 0.722 | 84% | 0.838 | S | S | * | * | cis | 128.5 | 131.5 | 26.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 195 | M | 43.3 | Very low | 41.9 | Very low | 205 Ų | 205 | 132.4 Ų | 132.4 | 100% | 1.01 | 83% | 0.832 | S | S | * | * | trans | 81.5 | 143.7 | 158.7 | -48.4 | -176.1 | -173.7 | 0 | 0 | 120.2 | ||||
| 196 | R | 44.9 | Very low | 41.8 | Very low | 235 Ų | 235 | 138 Ų | 138 | 89% | 0.887 | 84% | 0.841 | S | S | * | * | trans | -98.2 | -175.9 | -176.7 | -168.9 | 177.9 | 175.2 | -154.1 | -0.2 | 109.4 | ||||
| 197 | P | 60 | Low | 41.5 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 71% | 0.714 | 83% | 0.833 | S | S | * | * | -106 | -169.8 | -67.8 | 40.4 | -24.5 | 0 | 0 | 0 | 112.6 | |||||
| 198 | P | 51.9 | Low | 41.5 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 86% | 0.864 | 83% | 0.83 | S | S | * | * | -154.5 | -170.4 | 85.8 | 40.6 | -18 | 0 | 0 | 0 | 117.3 | |||||
| 199 | H | 41.9 | Very low | 41.1 | Very low | 188 Ų | 188 | 138 Ų | 138 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | trans | -66.9 | 160.8 | -169.9 | -128.4 | 68.5 | 0 | 0 | 0 | 117.8 | ||||
| 200 | N | 49.2 | Very low | 41.2 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | trans | -45.1 | 135.1 | 169.1 | -101.9 | 17.6 | 0 | 0 | 0 | 114.9 | ||||
| 201 | A | 32.4 | Very low | 41.3 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 79% | 0.785 | 84% | 0.842 | S | S | * | * | trans | 180 | 131.8 | 143.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 202 | M | 35.3 | Very low | 41.6 | Very low | 194 Ų | 194 | 131.2 Ų | 131.2 | 96% | 0.956 | 83% | 0.825 | S | S | * | * | trans | 95.2 | 132 | 140.7 | -126.1 | 74.1 | 161.3 | 0 | 0 | 122.6 | ||||
| 203 | G | 39.6 | Very low | 42 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | trans | -72.8 | -148 | -175.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 204 | P | 50.3 | Low | 41.9 | Very low | 140 Ų | 140 | 133 Ų | 133 | 91% | 0.909 | 82% | 0.819 | S | S | * | * | cis | -151.3 | 168.7 | 33.4 | 40.7 | -18.5 | 0 | 0 | 0 | 120 | ||||
| 205 | G | 34.2 | Very low | 41.5 | Very low | 76 Ų | 76 | 136.9 Ų | 136.9 | 78% | 0.784 | 83% | 0.829 | S | S | * | * | trans | 133 | 112.8 | 141 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 206 | M | 37.9 | Very low | 41 | Very low | 190 Ų | 190 | 131 Ų | 131 | 94% | 0.936 | 82% | 0.821 | S | S | * | * | trans | 99.3 | 148 | 150.1 | -80.2 | -119.8 | 150.6 | 0 | 0 | 122.7 | ||||
| 207 | P | 41.3 | Very low | 40.7 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | -129 | 163.8 | -124.4 | 42.7 | -27.7 | 0 | 0 | 0 | 117.7 | |||||
| 208 | G | 36.2 | Very low | 40.5 | Very low | 70 Ų | 70 | 131.1 Ų | 131.1 | 72% | 0.722 | 82% | 0.821 | S | S | * | * | trans | 85.5 | 108.5 | 144.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 209 | V | 39.2 | Very low | 39.3 | Very low | 154 Ų | 154 | 136.1 Ų | 136.1 | 93% | 0.933 | 82% | 0.822 | S | S | * | * | -161.2 | 126.7 | 121.6 | -89.7 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 210 | N | 38.6 | Very low | 39.5 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -85.7 | 130.1 | 172.1 | 167.3 | 36.2 | 0 | 0 | 0 | 109 | ||||
| 211 | M | 37.2 | Very low | 39.1 | Very low | 190 Ų | 190 | 131.4 Ų | 131.4 | 94% | 0.936 | 81% | 0.809 | S | S | * | * | trans | -151.7 | 99.7 | 148.9 | -138.5 | 169.1 | -173.1 | 0 | 0 | 109.5 | ||||
| 212 | G | 41.8 | Very low | 39.4 | Very low | 52 Ų | 52 | 132.2 Ų | 132.2 | 54% | 0.536 | 81% | 0.806 | S | S | . | * | trans | -67.5 | 173.5 | 155.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 213 | P | 43.5 | Very low | 39.2 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | -129.1 | 141.5 | 66.9 | 31.9 | -16.3 | 0 | 0 | 0 | 112.1 | |||||
| 214 | G | 35.8 | Very low | 38.9 | Very low | 66 Ų | 66 | 133.3 Ų | 133.3 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | 68.9 | 94.9 | 73.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 215 | T | 36.7 | Very low | 38 | Very low | 151 Ų | 151 | 130.3 Ų | 130.3 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | -167 | 128.9 | 81.9 | 41.4 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 216 | G | 32.2 | Very low | 38.2 | Very low | 81 Ų | 81 | 134.1 Ų | 134.1 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | 129.6 | 134.5 | 103.9 | 0 | 0 | 0 | 0 | 0 | 111 | |||||
| 217 | R | 39.4 | Very low | 37.9 | Very low | 246 Ų | 246 | 131.9 Ų | 131.9 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | trans | -80.4 | 168.6 | -165.6 | -76.4 | 171.4 | 174.4 | -100.6 | 1.7 | 114.8 | ||||
| 218 | P | 55.8 | Low | 37.9 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 67% | 0.669 | 80% | 0.795 | S | S | * | * | trans | -91.5 | 175.3 | -178 | 37 | -34.2 | 0 | 0 | 0 | 114.8 | ||||
| 219 | W | 26.7 | Very low | 38 | Very low | 238 Ų | 238 | 137.8 Ų | 137.8 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 106.9 | 152.8 | 169.2 | -61.8 | 107.6 | 0 | 0 | 0 | 117 | ||||
| 220 | P | 46.5 | Very low | 37.6 | Very low | 106 Ų | 106 | 140.7 Ų | 140.7 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | cis | -118.4 | 164.4 | -49.9 | 22.4 | -1.9 | 0 | 0 | 0 | 113.1 | ||||
| 221 | N | 40.3 | Very low | 37.3 | Very low | 143 Ų | 143 | 138.8 Ų | 138.8 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -46 | 147.3 | 170.4 | -169.7 | 40.2 | 0 | 0 | 0 | 114.6 | ||||
| 222 | P | 39.2 | Very low | 37.2 | Very low | 111 Ų | 111 | 134.4 Ų | 134.4 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | -139.8 | 153.7 | 119.1 | 36 | -21.8 | 0 | 0 | 0 | 114.6 | |||||
| 223 | N | 31.4 | Very low | 37 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | trans | 83 | 108.6 | 166.7 | -89.1 | 0.1 | 0 | 0 | 0 | 120.1 | ||||
| 224 | N | 33.8 | Very low | 36.3 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | 65.2 | 142 | 108.4 | -144 | 8 | 0 | 0 | 0 | 120 | |||||
| 225 | A | 29.7 | Very low | 36.7 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 65% | 0.645 | 80% | 0.8 | S | S | * | * | trans | 83.7 | 105 | 167.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 226 | N | 39.3 | Very low | 36.6 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | 37.6 | 111.2 | 134.2 | -69 | -31.7 | 0 | 0 | 0 | 118 | ||||
| 227 | T | 32.2 | Very low | 36.5 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -172.6 | 104.3 | 131.8 | 23.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 228 | M | 39.7 | Very low | 36.4 | Very low | 180 Ų | 180 | 138 Ų | 138 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -76.6 | 135 | 160.9 | -66.4 | -149.5 | -169.6 | 0 | 0 | 108.5 | Y230 | M228-Y230 PolarHBondContact O-N 2.91Š| ||
| 229 | P | 39 | Very low | 35.4 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -73.9 | 102.8 | 175.7 | 27.7 | -30.2 | 0 | 0 | 0 | 110.1 | S231 | P229-S231 PolarHBondContact O-N 2.82Š| ||
| 230 | Y | 31.2 | Very low | 35.7 | Very low | 215 Ų | 215 | 129.1 Ų | 129.1 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -63 | 116.9 | 156.5 | -117.8 | -97.7 | 0 | 0 | 0 | 107.7 | M228 | M228-Y230 PolarHBondContact O-N 2.91Š| ||
| 231 | S | 32.1 | Very low | 35.5 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -106 | 93.7 | 164.8 | -69.3 | 0 | 0 | 0 | 0 | 109 | P229 | P229-S231 PolarHBondContact O-N 2.82Š| ||
| 232 | S | 34.8 | Very low | 35.4 | Very low | 98 Ų | 98 | 128.1 Ų | 128.1 | 69% | 0.685 | 81% | 0.812 | S | S | * | * | trans | -78.2 | 145.7 | 162.2 | -51.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 233 | P | 38.8 | Very low | 35.4 | Very low | 133 Ų | 133 | 127 Ų | 127 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | trans | -117.9 | 132.9 | 152.1 | 18.2 | 0.1 | 0 | 0 | 0 | 111.3 | ||||
| 234 | S | 27.7 | Very low | 35.7 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 80% | 0.797 | 83% | 0.826 | S | S | * | * | trans | -142.1 | 163.9 | 169.6 | -155.4 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 235 | P | 45.5 | Very low | 35.8 | Very low | 122 Ų | 122 | 121.5 Ų | 121.5 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | -123 | 158.5 | -67.3 | 35.6 | -22.4 | 0 | 0 | 0 | 112.5 | |||||
| 236 | G | 32.8 | Very low | 36.5 | Very low | 81 Ų | 81 | 121.2 Ų | 121.2 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | 106.4 | 107.6 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 237 | A | 31.6 | Very low | 36.8 | Very low | 101 Ų | 101 | 119.9 Ų | 119.9 | 84% | 0.835 | 84% | 0.836 | S | S | * | * | trans | -150.2 | 108 | 150 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 238 | Y | 37.7 | Very low | 37.5 | Very low | 252 Ų | 252 | 119.4 Ų | 119.4 | 99% | 0.988 | 84% | 0.836 | S | S | * | * | trans | -66.7 | 125 | 167.9 | -79.1 | -96.7 | 0 | 0 | 0 | 109.3 | ||||
| 239 | G | 33.7 | Very low | 37.6 | Very low | 76 Ų | 76 | 114.4 Ų | 114.4 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | -175.4 | 122.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 240 | G | 33.1 | Very low | 37.9 | Very low | 78 Ų | 78 | 114.1 Ų | 114.1 | 80% | 0.804 | 83% | 0.826 | S | S | * | * | trans | -79.9 | 169.4 | -159.3 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 241 | A | 42.7 | Very low | 38.3 | Very low | 104 Ų | 104 | 110.2 Ų | 110.2 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | 15.8 | 115.4 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 242 | S | 37.7 | Very low | 39.3 | Very low | 124 Ų | 124 | 111.9 Ų | 111.9 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | -167.1 | 130.2 | 132.4 | 37 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 243 | G | 39.6 | Very low | 39.8 | Very low | 86 Ų | 86 | 114.8 Ų | 114.8 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | trans | -82.1 | 167.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 244 | G | 36.6 | Very low | 40.5 | Very low | 84 Ų | 84 | 113.9 Ų | 113.9 | 87% | 0.866 | 82% | 0.824 | S | S | * | * | trans | 149.9 | 103.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 245 | G | 37.2 | Very low | 41 | Very low | 89 Ų | 89 | 113.5 Ų | 113.5 | 92% | 0.918 | 82% | 0.821 | S | S | * | * | trans | 83.5 | 92.2 | 137.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 246 | G | 44.7 | Very low | 41.2 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 82% | 0.823 | S | S | * | * | trans | -115.6 | 150.5 | 160 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 247 | P | 43.8 | Very low | 41.7 | Very low | 128 Ų | 128 | 113.7 Ų | 113.7 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | trans | -72.4 | 156.4 | -165.7 | 29.7 | -35.1 | 0 | 0 | 0 | 114.4 | ||||
| 248 | P | 47.6 | Very low | 42.3 | Very low | 134 Ų | 134 | 116.9 Ų | 116.9 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -87.7 | 129.3 | -168.2 | 34.4 | -30.4 | 0 | 0 | 0 | 111.3 | ||
| 249 | G | 43 | Very low | 42.4 | Very low | 75 Ų | 75 | 110.3 Ų | 110.3 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | 160.3 | -5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 250 | T | 43.4 | Very low | 43.2 | Very low | 117 Ų | 117 | 114.4 Ų | 114.4 | 72% | 0.718 | 81% | 0.813 | S | S | * | * | trans | -127.6 | 129.6 | 175.7 | 55.4 | 0 | 0 | 0 | 0 | 110.8 | I252 | T250-I252 PolarHBondContact O-N 2.81Š| ||
| 251 | P | 41.5 | Very low | 43.7 | Very low | 132 Ų | 132 | 117.8 Ų | 117.8 | 86% | 0.857 | 81% | 0.812 | S | S | * | * | trans | -71.2 | 104.6 | 168.8 | 28.3 | -28.9 | 0 | 0 | 0 | 107.7 | M253 | P251-M253 PolarHBondContact O-N 2.85Š| ||
| 252 | I | 52.4 | Low | 43.8 | Very low | 150 Ų | 150 | 117 Ų | 117 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 107.3 | 167.5 | -60.9 | 176.8 | 0 | 0 | 0 | 106.3 | T250 | T250-I252 PolarHBondContact O-N 2.81Š| ||
| 253 | M | 44 | Very low | 44.6 | Very low | 160 Ų | 160 | 114.8 Ų | 114.8 | 79% | 0.788 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 132 | 163.9 | -102.5 | -179 | 62.5 | 0 | 0 | 108.4 | P251 S255 | P251-M253 PolarHBondContact O-N 2.85Å; M253-S255 PolarHBondContact O-N 3.36Å |
| 254 | P | 53.6 | Low | 45.1 | Very low | 113 Ų | 113 | 117 Ų | 117 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 120.5 | 167.4 | 26.3 | -29.6 | 0 | 0 | 0 | 108 | ||
| 255 | S | 39.2 | Very low | 45.8 | Very low | 106 Ų | 106 | 120 Ų | 120 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 135.5 | 163.6 | -62.3 | 0 | 0 | 0 | 0 | 108.6 | M253 A257 | M253-S255 PolarHBondContact O-N 3.36Å; S255-A257 PolarHBondContact O-N 3.07Å |
| 256 | P | 49.5 | Very low | 46.4 | Very low | 128 Ų | 128 | 123.6 Ų | 123.6 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -59.2 | 111 | 171.7 | -19.6 | 31.2 | 0 | 0 | 0 | 108.6 | ||||
| 257 | A | 42.7 | Very low | 46.3 | Very low | 80 Ų | 80 | 131.1 Ų | 131.1 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | trans | -62.8 | 141.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | S255 S259 | S255-A257 PolarHBondContact O-N 3.07Å; A257-S259 PolarHBondContact O-N 3.03Å | ||
| 258 | D | 45.2 | Very low | 46.5 | Very low | 168 Ų | 168 | 131 Ų | 131 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | trans | -27.1 | 102.8 | 172.6 | -56.3 | -66.3 | 0 | 0 | 0 | 113.9 | ||||
| 259 | S | 39.5 | Very low | 46.3 | Very low | 114 Ų | 114 | 132.7 Ų | 132.7 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -99 | 94.3 | 165.2 | -71.6 | 0 | 0 | 0 | 0 | 109 | A257 N261 | A257-S259 PolarHBondContact O-N 3.03Å; S259-N261 VanDerWaalsContact C-N 3.28Å; S259-N261 PolarHBondContact O-N 3.25Å | ||
| 260 | N | 51 | Low | 46.8 | Very low | 162 Ų | 162 | 136.6 Ų | 136.6 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | -66.9 | 87 | 159.7 | -172.2 | 33.5 | 0 | 0 | 0 | 108.3 | ||||
| 261 | N | 42.9 | Very low | 46.6 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -139.9 | 119.5 | 161.9 | -163.1 | 3.9 | 0 | 0 | 0 | 110.5 | S259 | S259-N261 VanDerWaalsContact C-N 3.28Å; S259-N261 PolarHBondContact O-N 3.25Å | ||
| 262 | S | 43.8 | Very low | 46.6 | Very low | 87 Ų | 87 | 139.2 Ų | 139.2 | 61% | 0.608 | 80% | 0.795 | S | S | * | * | trans | -72.4 | 127.5 | -165.9 | -48.3 | 0 | 0 | 0 | 0 | 113.4 | D264 | S262-D264 PolarHBondContact O-N 3.03Å; S262-D264 VanDerWaalsContact O-N 3.17Å | ||
| 263 | G | 55 | Low | 45.8 | Very low | 77 Ų | 77 | 134.4 Ų | 134.4 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | S | Bend | 80.4 | -21.4 | 94.8 | 0 | 0 | 0 | 0 | 0 | 122.3 | |||
| 264 | D | 51.6 | Low | 45.8 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -124.9 | 4.2 | -159 | -66.4 | -50.6 | 0 | 0 | 0 | 118.8 | S262 | S262-D264 PolarHBondContact O-N 3.03Å; S262-D264 VanDerWaalsContact O-N 3.17Å | ||
| 265 | N | 49.6 | Very low | 45 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -110.7 | 10.4 | -174 | -79.3 | -31.2 | 0 | 0 | 0 | 117.2 | ||
| 266 | L | 49.9 | Very low | 45.2 | Very low | 164 Ų | 164 | 133.4 Ų | 133.4 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -99.2 | -8.4 | 179.7 | -99 | 96.1 | 0 | 0 | 0 | 116.1 | ||
| 267 | Y | 42.2 | Very low | 44.8 | Very low | 230 Ų | 230 | 139.3 Ų | 139.3 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -94.2 | -3.5 | -178.1 | -89.5 | -78.7 | 0 | 0 | 0 | 115.6 | ||
| 268 | T | 49.2 | Very low | 44.6 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -105.2 | -2.8 | -173.2 | -24.6 | 0 | 0 | 0 | 0 | 114.8 | ||
| 269 | M | 43.3 | Very low | 44.1 | Very low | 171 Ų | 171 | 139.8 Ų | 139.8 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -101 | 0.6 | -175.8 | -146.4 | 176.1 | -70.5 | 0 | 0 | 114.8 | ||
| 270 | I | 52.8 | Low | 43.8 | Very low | 157 Ų | 157 | 143.6 Ų | 143.6 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -117.4 | 72.4 | 175.2 | -58.2 | 171.4 | 0 | 0 | 0 | 108.6 | ||
| 271 | N | 39.7 | Very low | 44 | Very low | 153 Ų | 153 | 140.4 Ų | 140.4 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | -163.3 | 66.4 | 149.3 | -137.6 | 3.8 | 0 | 0 | 0 | 112.5 | G273 | N271-G273 PolarHBondContact O-N 3.43Å; N271-G273 VanDerWaalsContact O-N 3.13Å | ||
| 272 | T | 42.3 | Very low | 43.8 | Very low | 150 Ų | 150 | 142.6 Ų | 142.6 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | trans | -82.7 | 76.4 | 161.2 | 48.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 273 | G | 35.6 | Very low | 43.5 | Very low | 50 Ų | 50 | 142 Ų | 142 | 52% | 0.515 | 79% | 0.793 | S | S | . | * | trans | -101.2 | 147.7 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | N271 | N271-G273 PolarHBondContact O-N 3.43Å; N271-G273 VanDerWaalsContact O-N 3.13Å | ||
| 274 | P | 43.3 | Very low | 43.2 | Very low | 141 Ų | 141 | 145 Ų | 145 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | trans | -79.6 | 126.3 | -163.8 | 32.5 | -32.3 | 0 | 0 | 0 | 111 | ||||
| 275 | G | 35.8 | Very low | 42.4 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | trans | 170.1 | 92.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 276 | N | 44.5 | Very low | 42 | Very low | 147 Ų | 147 | 139.6 Ų | 139.6 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | trans | 28.6 | 107 | 134.4 | -165.8 | 30.4 | 0 | 0 | 0 | 118.2 | ||||
| 277 | R | 40 | Very low | 41.6 | Very low | 252 Ų | 252 | 139.7 Ų | 139.7 | 95% | 0.951 | 80% | 0.795 | S | S | * | * | trans | -152.5 | 102.6 | 149.2 | -114 | 172.4 | -168.5 | 171.3 | 3.5 | 111.6 | ||||
| 278 | N | 39.6 | Very low | 41.3 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | -80.7 | 153.2 | 163.9 | -75.7 | -33.8 | 0 | 0 | 0 | 111.2 | ||||
| 279 | N | 35.4 | Very low | 41.1 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 62% | 0.62 | 79% | 0.79 | S | S | * | * | trans | 81.9 | 131.5 | 160 | -123.2 | 47.8 | 0 | 0 | 0 | 117 | ||||
| 280 | F | 31.5 | Very low | 41 | Very low | 193 Ų | 193 | 132.5 Ų | 132.5 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | -145.2 | 166 | 55.2 | -86.3 | -89.6 | 0 | 0 | 0 | 115.9 | |||||
| 281 | P | 56.2 | Low | 40.5 | Very low | 96 Ų | 96 | 128.9 Ų | 128.9 | 62% | 0.623 | 80% | 0.795 | S | S | * | * | trans | -112.5 | 159.8 | -154.3 | 41.2 | -31.5 | 0 | 0 | 0 | 115.2 | ||||
| 282 | M | 38.5 | Very low | 40.6 | Very low | 194 Ų | 194 | 126.6 Ų | 126.6 | 96% | 0.956 | 80% | 0.798 | S | S | * | * | trans | -152.2 | 116.3 | 150.3 | -83.4 | -155.6 | -82.5 | 0 | 0 | 109.6 | ||||
| 283 | G | 36.8 | Very low | 40.6 | Very low | 74 Ų | 74 | 128.8 Ų | 128.8 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -99.2 | -157.7 | 160.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 284 | P | 48.6 | Very low | 40.7 | Very low | 141 Ų | 141 | 131.2 Ų | 131.2 | 92% | 0.916 | 82% | 0.815 | S | S | * | * | cis | -122.6 | 168.6 | -29.5 | 37.3 | -21.7 | 0 | 0 | 0 | 112.5 | ||||
| 285 | G | 35.3 | Very low | 40.6 | Very low | 65 Ų | 65 | 127.9 Ų | 127.9 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | trans | 162 | 95.3 | 169 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 286 | S | 41.8 | Very low | 40.8 | Very low | 102 Ų | 102 | 134.1 Ų | 134.1 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | 72.9 | 104.4 | 94.3 | 66.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 287 | D | 40.7 | Very low | 40.3 | Very low | 166 Ų | 166 | 134 Ų | 134 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | 150.6 | 110.8 | 129.9 | -71.2 | -30.3 | 0 | 0 | 0 | 113.4 | |||||
| 288 | G | 36.3 | Very low | 40.7 | Very low | 77 Ų | 77 | 126.9 Ų | 126.9 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 152.4 | 127.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 289 | P | 45.4 | Very low | 40.9 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 77% | 0.766 | 80% | 0.8 | S | S | * | * | trans | -107.1 | 163.9 | -148.4 | 40.9 | -33.8 | 0 | 0 | 0 | 116.3 | ||||
| 290 | L | 40.7 | Very low | 41.3 | Very low | 179 Ų | 179 | 129.7 Ų | 129.7 | 94% | 0.937 | 81% | 0.805 | S | S | * | * | trans | 94.9 | 117.4 | 159.8 | -62.7 | 158.1 | 0 | 0 | 0 | 118.6 | ||||
| 291 | G | 43.2 | Very low | 42.1 | Very low | 80 Ų | 80 | 129.5 Ų | 129.5 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | 141.8 | 79.9 | 152.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 292 | A | 41.9 | Very low | 41.4 | Very low | 106 Ų | 106 | 132.4 Ų | 132.4 | 88% | 0.876 | 82% | 0.819 | S | S | * | * | trans | -61.3 | 133 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 293 | M | 42.2 | Very low | 41.3 | Very low | 195 Ų | 195 | 126.7 Ų | 126.7 | 96% | 0.961 | 81% | 0.811 | S | S | * | * | trans | -156.4 | 122 | 139.6 | -153 | 160.6 | 165.5 | 0 | 0 | 110.5 | ||||
| 294 | A | 37.7 | Very low | 41.5 | Very low | 101 Ų | 101 | 127.8 Ų | 127.8 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -88 | 148.8 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 295 | G | 40.3 | Very low | 41.3 | Very low | 72 Ų | 72 | 129.3 Ų | 129.3 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | 88.6 | 105 | 137.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 296 | M | 40.3 | Very low | 41.2 | Very low | 201 Ų | 201 | 130 Ų | 130 | 99% | 0.99 | 81% | 0.814 | S | S | * | * | -176.1 | 132.1 | 112.9 | -98 | 167 | 173.9 | 0 | 0 | 111.4 | |||||
| 297 | E | 34.7 | Very low | 41.4 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 67% | 0.673 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72 | 153.9 | -168.7 | -172.4 | 178.8 | 122.2 | 0 | 0 | 114.3 | H299 | E297-H299 IonicContact OE1-CE1 3.76Å; E297-H299 PolarHBondContact OE1-CE1 3.03Å; E297-H299 IonicContact OE1-ND1 2.97Å; E297-H299 IonicContact OE1-NE2 3.23Å |
| 298 | P | 46.9 | Very low | 41.4 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91 | 120.2 | 176.4 | 33.6 | -28.2 | 0 | 0 | 0 | 111.8 | H300 | P298-H300 PolarHBondContact O-CE1 3.38Š|
| 299 | H | 45.4 | Very low | 42 | Very low | 158 Ų | 158 | 129.6 Ų | 129.6 | 73% | 0.731 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 121 | 173.5 | -68.9 | -54.2 | 0 | 0 | 0 | 112.8 | E297 | E297-H299 IonicContact OE1-CE1 3.76Å; E297-H299 PolarHBondContact OE1-CE1 3.03Å; E297-H299 IonicContact OE1-ND1 2.97Å; E297-H299 IonicContact OE1-NE2 3.23Å |
| 300 | H | 43.7 | Very low | 42.3 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 73% | 0.731 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 128.8 | 168.4 | 24.2 | -90.8 | 0 | 0 | 0 | 108.9 | P298 | P298-H300 PolarHBondContact O-CE1 3.38Š|
| 301 | M | 48.4 | Very low | 42.7 | Very low | 190 Ų | 190 | 132.1 Ų | 132.1 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -130.9 | 116.1 | 168 | -146.7 | 85.4 | 180 | 0 | 0 | 110.3 | ||||
| 302 | N | 40.7 | Very low | 42.8 | Very low | 156 Ų | 156 | 131.8 Ų | 131.8 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -68.2 | 144.1 | 168.9 | 178.8 | 19.6 | 0 | 0 | 0 | 110.9 | ||||
| 303 | G | 37.3 | Very low | 42.7 | Very low | 75 Ų | 75 | 135.5 Ų | 135.5 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -165 | 128.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 304 | S | 40.3 | Very low | 42.7 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 67% | 0.671 | 81% | 0.807 | S | S | * | * | trans | -124.4 | 160.9 | -152 | -174.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 305 | L | 44.1 | Very low | 42.8 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 91% | 0.906 | 81% | 0.808 | S | S | * | * | trans | 86.3 | 126.4 | 158.6 | -51.8 | 179.1 | 0 | 0 | 0 | 120.7 | ||||
| 306 | G | 33.4 | Very low | 42.5 | Very low | 81 Ų | 81 | 140.5 Ų | 140.5 | 84% | 0.835 | 81% | 0.813 | S | S | * | * | trans | 170.7 | 79.9 | 160.5 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 307 | S | 46.4 | Very low | 42.6 | Very low | 114 Ų | 114 | 135.8 Ų | 135.8 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -70.9 | 148.7 | 170.7 | -179.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 308 | G | 40.8 | Very low | 43.3 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | trans | -172.3 | 68.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 309 | D | 48.5 | Very low | 43 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -68.9 | 123.5 | 159.3 | -59.6 | -66.7 | 0 | 0 | 0 | 109 | ||||
| 310 | M | 51 | Low | 42.5 | Very low | 186 Ų | 186 | 136.7 Ų | 136.7 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | trans | -164.6 | 134.9 | 145.8 | -104.3 | -156.5 | -131.6 | 0 | 0 | 112.1 | ||||
| 311 | D | 49.4 | Very low | 42.3 | Very low | 164 Ų | 164 | 136 Ų | 136 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | trans | -63.4 | 152.5 | -171.3 | -53.4 | -92.8 | 0 | 0 | 0 | 115.5 | ||||
| 312 | G | 44.7 | Very low | 41.8 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 81% | 0.808 | S | S | * | * | trans | 165.1 | 42.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 313 | M | 40.3 | Very low | 41.8 | Very low | 184 Ų | 184 | 128 Ų | 128 | 91% | 0.906 | 80% | 0.802 | S | S | * | * | trans | -137.4 | 97.4 | 163.5 | -66.2 | -178.6 | -178.1 | 0 | 0 | 111.5 | K315 | M313-K315 PolarHBondContact O-N 3.17Š| ||
| 314 | S | 42.1 | Very low | 42.2 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -57.4 | 96.9 | 166.3 | 30.8 | 0 | 0 | 0 | 0 | 111.2 | N316 | S314-N316 PolarHBondContact O-N 3.36Š| ||
| 315 | K | 40.5 | Very low | 42.1 | Very low | 199 Ų | 199 | 133.2 Ų | 133.2 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -84.2 | 92.2 | 157.2 | -73.2 | -175.9 | 179.2 | 176.8 | 0 | 108.2 | M313 S317 | M313-K315 PolarHBondContact O-N 3.17Å; K315-S317 PolarHBondContact O-N 3.05Å | ||
| 316 | N | 33.5 | Very low | 41.9 | Very low | 158 Ų | 158 | 132.1 Ų | 132.1 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -60.3 | 105.9 | 161.4 | -82.5 | -2.6 | 0 | 0 | 0 | 108.8 | S314 | S314-N316 PolarHBondContact O-N 3.36Š| ||
| 317 | S | 41.9 | Very low | 42.7 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | trans | -90.7 | 159.4 | 144.7 | -110.9 | 0 | 0 | 0 | 0 | 108 | K315 | K315-S317 PolarHBondContact O-N 3.05Š| ||
| 318 | P | 50.1 | Low | 42.8 | Very low | 126 Ų | 126 | 134.7 Ų | 134.7 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | -138.2 | 139 | 102.1 | 32.7 | -17.7 | 0 | 0 | 0 | 114.9 | |||||
| 319 | N | 40.4 | Very low | 42.6 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | trans | -33.9 | 150 | 154.1 | -78.9 | -25.9 | 0 | 0 | 0 | 114.7 | ||||
| 320 | N | 35.6 | Very low | 42.5 | Very low | 148 Ų | 148 | 133.6 Ų | 133.6 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | -151.7 | 141.9 | 120.4 | -145 | -27.6 | 0 | 0 | 0 | 113.4 | |||||
| 321 | L | 38.8 | Very low | 42.3 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | 88.3 | 69 | 161.1 | -112.2 | 61.8 | 0 | 0 | 0 | 120.4 | ||||
| 322 | S | 39.1 | Very low | 42.1 | Very low | 108 Ų | 108 | 134.3 Ų | 134.3 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | 48 | 127 | 110.3 | 64.9 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 323 | G | 40.4 | Very low | 42.3 | Very low | 68 Ų | 68 | 137.8 Ų | 137.8 | 70% | 0.701 | 80% | 0.804 | S | S | * | * | 128.8 | 110.8 | 127.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 324 | I | 45.2 | Very low | 42.3 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 84% | 0.836 | 80% | 0.801 | S | S | * | * | trans | 90.7 | 84.7 | 153.4 | -57.2 | 148.3 | 0 | 0 | 0 | 115.6 | ||||
| 325 | S | 38.8 | Very low | 42.1 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -67 | 129 | 148 | -45.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 326 | N | 40 | Very low | 42.3 | Very low | 150 Ų | 150 | 134.2 Ų | 134.2 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -130.4 | 127.3 | 155.9 | -117 | 29.7 | 0 | 0 | 0 | 108.1 | ||||
| 327 | P | 49.8 | Very low | 42.7 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 71% | 0.714 | 80% | 0.801 | S | S | * | * | trans | -79 | 165 | 177.2 | 33.1 | -32.9 | 0 | 0 | 0 | 111.7 | G329 | P327-G329 PolarHBondContact O-N 3.13Š| ||
| 328 | P | 47.1 | Very low | 42.4 | Very low | 139 Ų | 139 | 135 Ų | 135 | 90% | 0.903 | 81% | 0.805 | S | S | * | * | trans | -79.9 | 117.2 | -172.7 | 31.6 | -30.6 | 0 | 0 | 0 | 110.5 | ||||
| 329 | G | 37.7 | Very low | 41.8 | Very low | 69 Ų | 69 | 132 Ų | 132 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -140.6 | 128.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P327 | P327-G329 PolarHBondContact O-N 3.13Š| ||
| 330 | T | 45.6 | Very low | 41.4 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 80% | 0.798 | 80% | 0.796 | S | S | * | * | trans | -53.6 | 141.8 | 176.7 | 50.2 | 0 | 0 | 0 | 0 | 113.5 | R332 | T330-R332 PolarHBondContact O-N 2.97Š| ||
| 331 | P | 48.4 | Very low | 41.5 | Very low | 137 Ų | 137 | 133.7 Ų | 133.7 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -80.5 | 115.6 | 163.6 | -5 | 23.4 | 0 | 0 | 0 | 109.6 | ||||
| 332 | R | 44.7 | Very low | 41.7 | Very low | 228 Ų | 228 | 133.8 Ų | 133.8 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | trans | -92.6 | 130.2 | 167.5 | -172.6 | 173.1 | 178.9 | 152.6 | -0.6 | 107 | T330 | T330-R332 PolarHBondContact O-N 2.97Š| ||
| 333 | D | 47.6 | Very low | 41.6 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | trans | -47.8 | 141.2 | 165.6 | -118.3 | -84.9 | 0 | 0 | 0 | 111.1 | ||||
| 334 | D | 42.1 | Very low | 41.2 | Very low | 155 Ų | 155 | 137.9 Ų | 137.9 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | 163.9 | 130.1 | 138.4 | -84.7 | -40.6 | 0 | 0 | 0 | 111.5 | ||||
| 335 | G | 36.4 | Very low | 40.8 | Very low | 77 Ų | 77 | 138.1 Ų | 138.1 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 116.6 | 82.1 | 134.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 336 | E | 45.3 | Very low | 40.8 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -42.4 | 145.1 | 155.3 | -61.8 | 172.8 | 99.6 | 0 | 0 | 113.3 | ||||
| 337 | L | 41.5 | Very low | 40.7 | Very low | 163 Ų | 163 | 139 Ų | 139 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | trans | -167.2 | 114.3 | 139.3 | -102 | 153.6 | 0 | 0 | 0 | 111.3 | ||||
| 338 | S | 35.7 | Very low | 40.2 | Very low | 112 Ų | 112 | 142.3 Ų | 142.3 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 59.9 | 107.3 | 148.3 | 61 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 339 | G | 37.7 | Very low | 39.6 | Very low | 65 Ų | 65 | 142.5 Ų | 142.5 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | cis | 100.3 | 123.5 | 48.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 340 | N | 32.6 | Very low | 39.5 | Very low | 145 Ų | 145 | 150.7 Ų | 150.7 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | 174.1 | 109.3 | 143.7 | -90.5 | -5.3 | 0 | 0 | 0 | 115.5 | ||||
| 341 | F | 37 | Very low | 39.3 | Very low | 189 Ų | 189 | 149 Ų | 149 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | trans | 81.4 | 136.3 | 141.3 | -62 | -73 | 0 | 0 | 0 | 123.6 | ||||
| 342 | L | 42.3 | Very low | 39.4 | Very low | 146 Ų | 146 | 148.1 Ų | 148.1 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -86.6 | 164.8 | -167.7 | -84.5 | 156.2 | 0 | 0 | 0 | 116 | ||||
| 343 | H | 37.7 | Very low | 39.4 | Very low | 158 Ų | 158 | 144 Ų | 144 | 73% | 0.731 | 79% | 0.79 | S | S | * | * | trans | 77 | 142 | 159.3 | -65.6 | 130 | 0 | 0 | 0 | 117.3 | ||||
| 344 | S | 32.2 | Very low | 39.3 | Very low | 103 Ų | 103 | 145.6 Ų | 145.6 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | cis | -159.1 | 156.6 | 31.5 | -167.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 345 | F | 36 | Very low | 39.8 | Very low | 169 Ų | 169 | 144.2 Ų | 144.2 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -31.8 | 132.4 | 161.9 | -57.7 | -95.4 | 0 | 0 | 0 | 116 | ||||
| 346 | Q | 39.8 | Very low | 40.1 | Very low | 186 Ų | 186 | 149.3 Ų | 149.3 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -131.7 | 91.2 | 143.9 | -79.6 | -169 | -10.2 | 0 | 0 | 109 | ||||
| 347 | S | 37.2 | Very low | 40.3 | Very low | 100 Ų | 100 | 145.4 Ų | 145.4 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -81.5 | 112.4 | 155.7 | 50.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 348 | E | 39.7 | Very low | 40.8 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | -131.4 | 112.5 | 156 | -80.5 | -170.7 | 96.7 | 0 | 0 | 110.7 | ||||
| 349 | N | 35 | Very low | 41 | Very low | 143 Ų | 143 | 150.1 Ų | 150.1 | 77% | 0.765 | 82% | 0.816 | S | S | * | * | trans | -28.8 | 134.8 | 162.6 | -81.9 | -93.8 | 0 | 0 | 0 | 115.9 | ||||
| 350 | Y | 36 | Very low | 41.2 | Very low | 242 Ų | 242 | 154.5 Ų | 154.5 | 95% | 0.949 | 82% | 0.824 | S | S | * | * | trans | -145.5 | 121.7 | 133.8 | -118.9 | -88.8 | 0 | 0 | 0 | 110.1 | ||||
| 351 | S | 39.7 | Very low | 41.7 | Very low | 94 Ų | 94 | 155.1 Ų | 155.1 | 66% | 0.657 | 83% | 0.827 | S | S | * | * | trans | -85.1 | 163.6 | -175 | -107.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 352 | P | 51.8 | Low | 42 | Very low | 118 Ų | 118 | 153.1 Ų | 153.1 | 77% | 0.766 | 83% | 0.827 | S | S | * | * | trans | -81.6 | 129.6 | -173.6 | 33.4 | -31.6 | 0 | 0 | 0 | 111.6 | M354 | P352-M354 PolarHBondContact O-N 3.37Š| ||
| 353 | T | 44.3 | Very low | 41.9 | Very low | 142 Ų | 142 | 153.5 Ų | 153.5 | 87% | 0.871 | 83% | 0.831 | S | S | * | * | trans | -86.6 | 103 | 173.5 | -32.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 354 | M | 44.2 | Very low | 42.2 | Very low | 180 Ų | 180 | 153.2 Ų | 153.2 | 89% | 0.887 | 84% | 0.837 | S | S | * | * | trans | -63.4 | 126.7 | 159.1 | -79.8 | 167.8 | 154.5 | 0 | 0 | 109.3 | P352 | P352-M354 PolarHBondContact O-N 3.37Š| ||
| 355 | T | 52.6 | Low | 42.9 | Very low | 126 Ų | 126 | 156.8 Ų | 156.8 | 77% | 0.773 | 85% | 0.846 | S | S | * | * | trans | -104.8 | 110.6 | 160.5 | 173.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 356 | M | 43 | Very low | 43.5 | Very low | 183 Ų | 183 | 155.8 Ų | 155.8 | 90% | 0.901 | 85% | 0.854 | S | S | * | * | trans | -82.1 | 124.1 | 160.6 | -86.7 | -99.6 | 178.7 | 0 | 0 | 107 | ||||
| 357 | S | 49.9 | Very low | 43.8 | Very low | 111 Ų | 111 | 153.3 Ų | 153.3 | 78% | 0.776 | 85% | 0.852 | S | S | * | * | trans | -87.3 | 136.4 | 165.2 | -66 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 358 | V | 51.8 | Low | 44.4 | Very low | 222 Ų | 222 | 158.2 Ų | 158.2 | 100% | 1.345 | 87% | 0.866 | S | S | * | * | trans | -62 | 0 | -179 | -93.3 | 0 | 0 | 0 | 0 | 114.7 |
Retrieved 358 of 358 residues in 362.2 ms
(Link to these results)