| 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 | 54.4 | Low | 61.8 | Low | 217 Ų | 217 | 153.2 Ų | 153.2 | 100% | 1.069 | 81% | 0.806 | S | S | * | * | 0 | 114.3 | 0 | -77.2 | 65.3 | 177.4 | 0 | 0 | 108.6 | |||||
| 2 | S | 60.8 | Low | 62.4 | Low | 116 Ų | 116 | 150.9 Ų | 150.9 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -91.7 | 111 | -179.1 | -175.8 | 0 | 0 | 0 | 0 | 109.6 | K4 | S2-K4 VanDerWaalsContact C-N 3.31Å; S2-K4 PolarHBondContact O-N 3.08Å | ||
| 3 | W | 48.5 | Very low | 63.2 | Low | 238 Ų | 238 | 147.1 Ų | 147.1 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -77.9 | 80.3 | 174.4 | -54.3 | 96.9 | 0 | 0 | 0 | 109 | R5 | W3-R5 PolarHBondContact O-N 3.41Š| ||
| 4 | K | 60.8 | Low | 64 | Low | 196 Ų | 196 | 142.7 Ų | 142.7 | 85% | 0.852 | 78% | 0.775 | S | S | * | * | trans | -63.9 | 106 | 166.2 | -102.2 | -173.9 | -172.2 | -88.9 | 0 | 107.4 | S2 G6 | S2-K4 VanDerWaalsContact C-N 3.31Å; S2-K4 PolarHBondContact O-N 3.08Å; K4-G6 PolarHBondContact O-N 2.88Å; K4-G6 VanDerWaalsContact O-N 3.15Å | ||
| 5 | R | 63.5 | Low | 65.3 | Low | 246 Ų | 246 | 137.3 Ų | 137.3 | 93% | 0.928 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -50 | 120.1 | 164.7 | -88.5 | -177.6 | -86 | -144.7 | -3.8 | 108 | W3 | W3-R5 PolarHBondContact O-N 3.41Š|
| 6 | G | 70.5 | Confident | 66.7 | Low | 54 Ų | 54 | 135.9 Ų | 135.9 | 56% | 0.557 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 162.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 111 | K4 N8 | K4-G6 PolarHBondContact O-N 2.88Å; K4-G6 VanDerWaalsContact O-N 3.15Å; G6-N8 PolarHBondContact O-N 3.05Å; G6-N8 VanDerWaalsContact O-N 3.13Å |
| 7 | P | 66.5 | Low | 68 | Low | 127 Ų | 127 | 131.2 Ų | 131.2 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 124.1 | 179.4 | 20 | -30 | 0 | 0 | 0 | 109.6 | V9 | P7-V9 VanDerWaalsContact C-N 3.29Å; P7-V9 PolarHBondContact O-N 2.93Å |
| 8 | N | 63.1 | Low | 69.2 | Low | 148 Ų | 148 | 129.4 Ų | 129.4 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | -65 | 91.4 | 177.7 | -169.7 | -88.9 | 0 | 0 | 0 | 107.4 | G6 P10 | G6-N8 PolarHBondContact O-N 3.05Å; G6-N8 VanDerWaalsContact O-N 3.13Å; N8-P10 VanDerWaalsContact O-CD 3.25Å; N8-P10 WeakPolarHBondContact O-CD 3.33Å | ||
| 9 | V | 65.6 | Low | 70.4 | Confident | 113 Ų | 113 | 125 Ų | 125 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | -69 | 116.3 | 162.7 | -170.1 | 0 | 0 | 0 | 0 | 104.4 | P7 T11 | P7-V9 VanDerWaalsContact C-N 3.29Å; P7-V9 PolarHBondContact O-N 2.93Å; V9-T11 VanDerWaalsContact C-N 3.33Å; V9-T11 PolarHBondContact O-N 3.11Å | ||
| 10 | P | 59.1 | Low | 71.4 | Confident | 99 Ų | 99 | 127.4 Ų | 127.4 | 64% | 0.643 | 69% | 0.692 | S | S | * | * | trans | -62.5 | 103.9 | 172.6 | -13.2 | 27.7 | 0 | 0 | 0 | 106 | N8 V12 | N8-P10 VanDerWaalsContact O-CD 3.25Å; N8-P10 WeakPolarHBondContact O-CD 3.33Å; P10-V12 VanDerWaalsContact C-N 3.31Å; P10-V12 PolarHBondContact O-N 3.46Å | ||
| 11 | T | 66.6 | Low | 72.4 | Confident | 131 Ų | 131 | 125 Ų | 125 | 80% | 0.804 | 68% | 0.676 | S | S | * | * | trans | -65 | 102.3 | 167.5 | 49 | 0 | 0 | 0 | 0 | 105.3 | V9 | V9-T11 VanDerWaalsContact C-N 3.33Å; V9-T11 PolarHBondContact O-N 3.11Å | ||
| 12 | V | 69.8 | Low | 74.2 | Confident | 126 Ų | 126 | 120.4 Ų | 120.4 | 76% | 0.764 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 125.5 | 174.8 | 179.9 | 0 | 0 | 0 | 0 | 106.5 | P10 | P10-V12 VanDerWaalsContact C-N 3.31Å; P10-V12 PolarHBondContact O-N 3.46Å |
| 13 | P | 72.7 | Confident | 75.8 | Confident | 101 Ų | 101 | 119.4 Ų | 119.4 | 66% | 0.656 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -53.6 | 140.7 | 177.5 | 22 | -32.1 | 0 | 0 | 0 | 108.5 | S15 | P13-S15 PolarHBondContact O-N 3.47Å; P13-S15 VanDerWaalsContact O-N 3.14Å |
| 14 | P | 73.9 | Confident | 78 | Confident | 86 Ų | 86 | 108.8 Ų | 108.8 | 56% | 0.558 | 60% | 0.598 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 128.9 | -179.3 | 23.4 | -32.8 | 0 | 0 | 0 | 108.4 | Q18 | P14-Q18 HydrophobicContact CB-CB 4.28Š|
| 15 | S | 83.7 | Confident | 79.6 | Confident | 61 Ų | 61 | 101 Ų | 101 | 43% | 0.427 | 57% | 0.566 | S | S | . | * | P | Polyproline II helix | trans | -60.9 | 151.6 | 173.2 | 62.9 | 0 | 0 | 0 | 0 | 109 | P13 A17 Q18 A19 | P13-S15 PolarHBondContact O-N 3.47Å; P13-S15 VanDerWaalsContact O-N 3.14Å; S15-A17 PolarHBondContact O-N 3.25Å; S15-A17 VanDerWaalsContact O-N 3.07Å; S15-Q18 WeakPolarHBondContact O-CA 3.48Å; S15-Q18 WeakPolarHBondContact O-CB 3.47Å; S15-Q18 PolarHBondContact O-N 3.17Å; S15-A19 PolarHBondContact O-N 3.04Å; S15-A19 VanDerWaalsContact O-N 3.08Å |
| 16 | D | 87.3 | Confident | 81 | Confident | 116 Ų | 116 | 92.1 Ų | 92.1 | 62% | 0.62 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -51.4 | -36.5 | 178.7 | -175.2 | 72.6 | 0 | 0 | 0 | 112 | Q18 A19 R20 | D16-Q18 PolarHBondContact O-N 2.92Å; D16-A19 PolarHBondContact O-N 2.92Å; D16-R20 WeakPolarHBondContact O-CB 3.49Å; D16-R20 VanDerWaalsContact O-CG 3.28Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; D16-R20 PolarHBondContact O-N 3.3Å; D16-R20 VanDerWaalsContact OD2-CD 3.25Å; D16-R20 WeakPolarHBondContact OD2-CD 3.47Å |
| 17 | A | 89 | Confident | 82.2 | Confident | 55 Ų | 55 | 91.5 Ų | 91.5 | 46% | 0.455 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -57.9 | -46.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113 | S15 A19 R20 E21 | S15-A17 PolarHBondContact O-N 3.25Å; S15-A17 VanDerWaalsContact O-N 3.07Å; A17-A19 VanDerWaalsContact C-N 3.33Å; A17-A19 PolarHBondContact O-N 2.96Å; A17-R20 PolarHBondContact O-N 3.39Å; A17-E21 VanDerWaalsContact O-CG 3.31Å; A17-E21 WeakPolarHBondContact O-CG 3.26Å; A17-E21 PolarHBondContact O-N 3.19Å |
| 18 | Q | 89.9 | Confident | 83.5 | Confident | 99 Ų | 99 | 87 Ų | 87 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.6 | -37.9 | 177.3 | -69.8 | 179.4 | 6.8 | 0 | 0 | 111.9 | P14 S15 D16 E21 K22 | P14-Q18 HydrophobicContact CB-CB 4.28Å; S15-Q18 WeakPolarHBondContact O-CA 3.48Å; S15-Q18 WeakPolarHBondContact O-CB 3.47Å; S15-Q18 PolarHBondContact O-N 3.17Å; D16-Q18 PolarHBondContact O-N 2.92Å; Q18-E21 PolarHBondContact O-N 3.24Å; Q18-K22 WeakPolarHBondContact O-CG 3.45Å; Q18-K22 PolarHBondContact O-N 3.35Å |
| 19 | A | 91.3 | Very high | 84.9 | Confident | 46 Ų | 46 | 80.5 Ų | 80.5 | 38% | 0.38 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | S15 D16 A17 K22 L23 | S15-A19 PolarHBondContact O-N 3.04Å; S15-A19 VanDerWaalsContact O-N 3.08Å; D16-A19 PolarHBondContact O-N 2.92Å; A17-A19 VanDerWaalsContact C-N 3.33Å; A17-A19 PolarHBondContact O-N 2.96Å; A19-K22 PolarHBondContact O-N 3.3Å; A19-L23 WeakPolarHBondContact O-CB 3.11Å; A19-L23 PolarHBondContact O-N 3.41Å |
| 20 | R | 91.4 | Very high | 86.3 | Confident | 173 Ų | 173 | 79 Ų | 79 | 65% | 0.653 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.5 | -40.8 | 176.7 | -70.1 | 176.5 | 69.2 | -165.5 | 1.4 | 112.5 | D16 A17 L23 A24 | D16-R20 WeakPolarHBondContact O-CB 3.49Å; D16-R20 VanDerWaalsContact O-CG 3.28Å; D16-R20 WeakPolarHBondContact O-CG 3.46Å; D16-R20 PolarHBondContact O-N 3.3Å; D16-R20 VanDerWaalsContact OD2-CD 3.25Å; D16-R20 WeakPolarHBondContact OD2-CD 3.47Å; A17-R20 PolarHBondContact O-N 3.39Å; R20-L23 PolarHBondContact O-N 3.03Å; R20-A24 PolarHBondContact O-N 2.71Å |
| 21 | E | 92.1 | Very high | 88 | Confident | 76 Ų | 76 | 75.9 Ų | 75.9 | 36% | 0.355 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -62.6 | -47.3 | 175 | -73.8 | 177.4 | 177.5 | 0 | 0 | 112 | A17 Q18 L23 A24 L25 W49 K51 | A17-E21 VanDerWaalsContact O-CG 3.31Å; A17-E21 WeakPolarHBondContact O-CG 3.26Å; A17-E21 PolarHBondContact O-N 3.19Å; Q18-E21 PolarHBondContact O-N 3.24Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 2.66Å; E21-A24 PolarHBondContact O-N 3.15Å; E21-L25 PolarHBondContact O-N 2.99Å; E21-L25 VanDerWaalsContact O-N 3.12Å; E21-W49 HydrophobicContact CB-CH2 4.23Å; E21-W49 HydrophobicContact CB-CZ3 4.37Å; E21-W49 VanDerWaalsContact O-CH2 3.26Å; E21-W49 WeakPolarHBondContact O-CH2 3.25Å; E21-K51 IonicContact OE1-NZ 2.71Å; E21-K51 PolarHBondContact OE1-NZ 2.93Å; E21-K51 IonicContact OE2-NZ 2.66Å; E21-K51 PolarHBondContact OE2-NZ 3.49Å |
| 22 | K | 91.7 | Very high | 89.2 | Confident | 121 Ų | 121 | 71.9 Ų | 71.9 | 53% | 0.526 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 176.6 | -75.4 | -172.4 | 176.5 | -172.3 | 0 | 111.9 | Q18 A19 A24 L25 Y26 | Q18-K22 WeakPolarHBondContact O-CG 3.45Å; Q18-K22 PolarHBondContact O-N 3.35Å; A19-K22 PolarHBondContact O-N 3.3Å; K22-A24 VanDerWaalsContact C-N 3.34Å; K22-A24 PolarHBondContact O-N 2.85Å; K22-L25 PolarHBondContact O-N 3.26Å; K22-Y26 HydrophobicContact CB-CE2 4.2Å; K22-Y26 WeakPolarHBondContact O-CD2 3.42Å; K22-Y26 VanDerWaalsContact O-CG 3.3Å; K22-Y26 PolarHBondContact O-N 2.89Å |
| 23 | L | 94.3 | Very high | 90.1 | Very high | 95 Ų | 95 | 68.5 Ų | 68.5 | 50% | 0.497 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.2 | -44.4 | 176.9 | -177.6 | 64 | 0 | 0 | 0 | 111.3 | A19 R20 E21 L25 Y26 V27 L62 | A19-L23 WeakPolarHBondContact O-CB 3.11Å; A19-L23 PolarHBondContact O-N 3.41Å; R20-L23 PolarHBondContact O-N 3.03Å; E21-L23 VanDerWaalsContact C-N 3.34Å; E21-L23 PolarHBondContact O-N 2.66Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 PolarHBondContact O-N 2.87Å; L23-Y26 PolarHBondContact O-N 3.22Å; L23-V27 HydrophobicContact CD1-CG2 4.43Å; L23-V27 HydrophobicContact CG-CG2 4.47Å; L23-V27 WeakPolarHBondContact O-CG2 3.37Å; L23-V27 PolarHBondContact O-N 2.93Å; L23-L62 HydrophobicContact CD1-CD1 4.41Å |
| 24 | A | 94.9 | Very high | 91 | Very high | 15 Ų | 15 | 65.7 Ų | 65.7 | 12% | 0.124 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | R20 E21 K22 Y26 V27 Y28 F43 I47 W49 | R20-A24 PolarHBondContact O-N 2.71Å; E21-A24 PolarHBondContact O-N 3.15Å; K22-A24 VanDerWaalsContact C-N 3.34Å; K22-A24 PolarHBondContact O-N 2.85Å; A24-Y26 VanDerWaalsContact C-N 3.35Å; A24-Y26 PolarHBondContact O-N 3.28Å; A24-V27 PolarHBondContact O-N 3.24Å; A24-Y28 PolarHBondContact O-N 3.44Å; A24-F43 HydrophobicContact CB-CE1 4.28Å; A24-F43 HydrophobicContact CB-CZ 4.11Å; A24-F43 WeakPolarHBondContact O-CE1 3.45Å; A24-I47 HydrophobicContact CB-CD1 3.9Å; A24-W49 HydrophobicContact CB-CE3 4.28Å; A24-W49 HydrophobicContact CB-CZ3 3.82Å |
| 25 | L | 93.8 | Very high | 91.8 | Very high | 32 Ų | 32 | 64.1 Ų | 64.1 | 17% | 0.168 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 175.3 | -177.6 | 138.2 | 0 | 0 | 0 | 111.9 | E21 K22 L23 Y28 E29 W49 I53 | E21-L25 PolarHBondContact O-N 2.99Å; E21-L25 VanDerWaalsContact O-N 3.12Å; K22-L25 PolarHBondContact O-N 3.26Å; L23-L25 VanDerWaalsContact C-N 3.34Å; L23-L25 PolarHBondContact O-N 2.87Å; L25-Y28 PolarHBondContact O-N 3.35Å; L25-E29 WeakPolarHBondContact O-CB 3.44Å; L25-E29 PolarHBondContact O-N 3.21Å; L25-W49 HydrophobicContact CB-CH2 4.35Å; L25-W49 HydrophobicContact CB-CZ2 4.35Å; L25-W49 HydrophobicContact CD1-CZ2 4.34Å; L25-I53 HydrophobicContact CD1-CG2 4.46Å |
| 26 | Y | 94 | Very high | 92.3 | Very high | 60 Ų | 60 | 62.7 Ų | 62.7 | 24% | 0.235 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 178.2 | -65.8 | -36.3 | 0 | 0 | 0 | 113.4 | K22 L23 A24 Y30 F61 | K22-Y26 HydrophobicContact CB-CE2 4.2Å; K22-Y26 WeakPolarHBondContact O-CD2 3.42Å; K22-Y26 VanDerWaalsContact O-CG 3.3Å; K22-Y26 PolarHBondContact O-N 2.89Å; L23-Y26 PolarHBondContact O-N 3.22Å; A24-Y26 VanDerWaalsContact C-N 3.35Å; A24-Y26 PolarHBondContact O-N 3.28Å; Y26-Y30 WeakPolarHBondContact O-CB 3.02Å; Y26-Y30 PolarHBondContact O-N 3.1Å; Y26-F61 HydrophobicContact CD1-CB 3.89Å; Y26-F61 AromaticContact CD1-CD1 3.87Å; Y26-F61 HydrophobicContact CD1-CD1 3.87Å; Y26-F61 HydrophobicContact CD1-CG 4.2Å; Y26-F61 AromaticContact CD2-CD1 3.67Å; Y26-F61 HydrophobicContact CD2-CD1 3.67Å; Y26-F61 HydrophobicContact CD2-CE1 4.04Å; Y26-F61 HydrophobicContact CE1-CB 3.79Å; Y26-F61 AromaticContact CE1-CD1 3.67Å; Y26-F61 HydrophobicContact CE1-CD1 3.67Å; Y26-F61 HydrophobicContact CE1-CE1 4.5Å; Y26-F61 AromaticContact CE1-CG 3.83Å; Y26-F61 HydrophobicContact CE1-CG 3.83Å; Y26-F61 AromaticContact CE2-CD1 3.43Å; Y26-F61 HydrophobicContact CE2-CD1 3.43Å; Y26-F61 VanDerWaalsContact CE2-CD1 3.43Å; Y26-F61 AromaticContact CE2-CE1 3.56Å; Y26-F61 HydrophobicContact CE2-CE1 3.56Å; Y26-F61 HydrophobicContact CE2-CG 4.35Å; Y26-F61 AromaticContact CG-CD1 3.89Å; Y26-F61 HydrophobicContact CG-CD1 3.89Å; Y26-F61 AromaticContact CZ-CD1 3.43Å; Y26-F61 VanDerWaalsContact CZ-CD1 3.43Å; Y26-F61 AromaticContact CZ-CE1 3.82Å; Y26-F61 AromaticContact CZ-CG 3.91Å |
| 27 | V | 94.7 | Very high | 92.5 | Very high | 42 Ų | 42 | 63.6 Ų | 63.6 | 26% | 0.255 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 173.3 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | L23 A24 Y30 L31 F43 L62 | L23-V27 HydrophobicContact CD1-CG2 4.43Å; L23-V27 HydrophobicContact CG-CG2 4.47Å; L23-V27 WeakPolarHBondContact O-CG2 3.37Å; L23-V27 PolarHBondContact O-N 2.93Å; A24-V27 PolarHBondContact O-N 3.24Å; V27-Y30 PolarHBondContact O-N 2.9Å; V27-L31 HydrophobicContact CG1-CD1 4.21Å; V27-L31 HydrophobicContact CG1-CG 4.49Å; V27-L31 WeakPolarHBondContact O-CG 3.32Å; V27-L31 PolarHBondContact O-N 3.03Å; V27-F43 HydrophobicContact CB-CE1 4.22Å; V27-F43 HydrophobicContact CB-CZ 4.22Å; V27-F43 HydrophobicContact CG1-CE1 4.06Å; V27-F43 HydrophobicContact CG1-CE2 4.38Å; V27-F43 HydrophobicContact CG1-CZ 3.98Å; V27-L62 HydrophobicContact CG2-CD2 3.98Å |
| 28 | Y | 94.5 | Very high | 92.8 | Very high | 33 Ų | 33 | 67 Ų | 67 | 13% | 0.129 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.2 | -47.4 | 174.7 | 172.5 | -99.3 | 0 | 0 | 0 | 111.9 | A24 L25 Y30 L31 L32 A40 L44 I53 L55 | A24-Y28 PolarHBondContact O-N 3.44Å; L25-Y28 PolarHBondContact O-N 3.35Å; Y28-Y30 VanDerWaalsContact C-N 3.32Å; Y28-Y30 PolarHBondContact O-N 3.39Å; Y28-L31 PolarHBondContact O-N 3.32Å; Y28-L32 PolarHBondContact O-N 2.96Å; Y28-A40 HydrophobicContact CD2-CB 3.78Å; Y28-A40 WeakPolarHBondContact CD2-O 3.37Å; Y28-A40 HydrophobicContact CE2-CB 3.66Å; Y28-L44 HydrophobicContact CD2-CD1 3.64Å; Y28-L44 HydrophobicContact CD2-CD2 3.75Å; Y28-L44 HydrophobicContact CD2-CG 3.52Å; Y28-L44 HydrophobicContact CE2-CD1 3.3Å; Y28-L44 HydrophobicContact CE2-CD2 4.31Å; Y28-L44 HydrophobicContact CE2-CG 3.71Å; Y28-L44 HydrophobicContact CG-CD1 4.37Å; Y28-L44 HydrophobicContact CG-CD2 3.98Å; Y28-L44 HydrophobicContact CG-CG 4.25Å; Y28-I53 HydrophobicContact CD1-CD1 3.94Å; Y28-I53 HydrophobicContact CD1-CG2 3.74Å; Y28-I53 HydrophobicContact CE1-CD1 3.74Å; Y28-I53 HydrophobicContact CE1-CG2 3.66Å; Y28-I53 HydrophobicContact CG-CD1 4.44Å; Y28-L55 HydrophobicContact CD1-CD2 4.06Å; Y28-L55 HydrophobicContact CE1-CD2 3.85Å |
| 29 | E | 93.2 | Very high | 93.1 | Very high | 11 Ų | 11 | 64.7 Ų | 64.7 | 5% | 0.051 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 175.7 | -178.4 | 178.9 | 104 | 0 | 0 | 111.1 | L25 L32 H33 L55 G56 G60 F61 | L25-E29 WeakPolarHBondContact O-CB 3.44Å; L25-E29 PolarHBondContact O-N 3.21Å; E29-L32 PolarHBondContact O-N 3.01Å; E29-H33 WeakPolarHBondContact CG-CE1 3.37Å; E29-H33 PolarHBondContact O-N 2.93Å; E29-H33 IonicContact OE1-CE1 3.89Å; E29-L55 HydrophobicContact CB-CD2 4.04Å; E29-L55 HydrophobicContact CG-CD2 4.08Å; E29-G56 PolarHBondContact OE2-N 3.01Å; E29-G60 WeakPolarHBondContact OE1-CA 3.18Å; E29-F61 PolarHBondContact OE1-N 2.95Å |
| 30 | Y | 93.8 | Very high | 93.2 | Very high | 82 Ų | 82 | 62.5 Ų | 62.5 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -59 | -50.2 | 175.8 | 171.9 | -105.7 | 0 | 0 | 0 | 112.4 | Y26 V27 Y28 L32 H33 I34 L62 | Y26-Y30 WeakPolarHBondContact O-CB 3.02Å; Y26-Y30 PolarHBondContact O-N 3.1Å; V27-Y30 PolarHBondContact O-N 2.9Å; Y28-Y30 VanDerWaalsContact C-N 3.32Å; Y28-Y30 PolarHBondContact O-N 3.39Å; Y30-L32 PolarHBondContact O-N 3.44Å; Y30-H33 PolarHBondContact O-N 3.31Å; Y30-I34 HydrophobicContact CD1-CD1 4.39Å; Y30-I34 HydrophobicContact CD2-CG2 3.98Å; Y30-I34 HydrophobicContact CE1-CD1 3.83Å; Y30-I34 HydrophobicContact CE1-CG2 4.34Å; Y30-I34 HydrophobicContact CE2-CG2 3.48Å; Y30-I34 VanDerWaalsContact CE2-CG2 3.48Å; Y30-I34 WeakPolarHBondContact O-CG1 3.33Å; Y30-I34 PolarHBondContact O-N 3.42Å; Y30-L62 HydrophobicContact CG-CD2 4.39Å |
| 31 | L | 94.5 | Very high | 93.3 | Very high | 32 Ų | 32 | 59.9 Ų | 59.9 | 17% | 0.168 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58 | -35.6 | 178.1 | -71.8 | 172.4 | 0 | 0 | 0 | 111.7 | V27 Y28 I34 A36 A39 A40 F43 | V27-L31 HydrophobicContact CG1-CD1 4.21Å; V27-L31 HydrophobicContact CG1-CG 4.49Å; V27-L31 WeakPolarHBondContact O-CG 3.32Å; V27-L31 PolarHBondContact O-N 3.03Å; Y28-L31 PolarHBondContact O-N 3.32Å; L31-I34 HydrophobicContact CD2-CD1 4.27Å; L31-I34 WeakPolarHBondContact O-CG1 3.27Å; L31-A36 HydrophobicContact CD2-CB 4.28Å; L31-A36 CarbonylContact O-C 3.6Å; L31-A36 WeakPolarHBondContact O-CA 3.41Å; L31-A36 WeakPolarHBondContact O-CB 3.4Å; L31-A36 PolarHBondContact O-N 3.26Å; L31-A39 HydrophobicContact CD2-CB 4.4Å; L31-A40 HydrophobicContact CB-CB 3.71Å; L31-A40 HydrophobicContact CD1-CB 4.44Å; L31-F43 HydrophobicContact CD1-CB 4.15Å; L31-F43 HydrophobicContact CD1-CD1 4.5Å; L31-F43 HydrophobicContact CD1-CG 4.35Å |
| 32 | L | 92.2 | Very high | 93.5 | Very high | 48 Ų | 48 | 60 Ų | 60 | 25% | 0.251 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.9 | -44.2 | 177.6 | -159.5 | 75.5 | 0 | 0 | 0 | 112.1 | Y28 E29 Y30 G35 K37 L55 | Y28-L32 PolarHBondContact O-N 2.96Å; E29-L32 PolarHBondContact O-N 3.01Å; Y30-L32 PolarHBondContact O-N 3.44Å; L32-G35 PolarHBondContact O-N 3.15Å; L32-K37 HydrophobicContact CD1-CG 4.12Å; L32-L55 HydrophobicContact CD2-CD1 3.3Å; L32-L55 HydrophobicContact CD2-CD2 3.89Å; L32-L55 HydrophobicContact CD2-CG 4.22Å |
| 33 | H | 90.2 | Very high | 93.7 | Very high | 55 Ų | 55 | 56.6 Ų | 56.6 | 26% | 0.255 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.2 | -37 | 179.4 | -70.9 | 167.2 | 0 | 0 | 0 | 113.1 | E29 Y30 G35 G56 P59 G60 | E29-H33 WeakPolarHBondContact CG-CE1 3.37Å; E29-H33 PolarHBondContact O-N 2.93Å; E29-H33 IonicContact OE1-CE1 3.89Å; Y30-H33 PolarHBondContact O-N 3.31Å; H33-G35 PolarHBondContact O-N 2.94Å; H33-G56 PolarHBondContact NE2-O 3.03Å; H33-P59 PolarHBondContact ND1-O 2.9Å; H33-G60 PolarHBondContact ND1-N 3.31Å |
| 34 | I | 90.5 | Very high | 93.7 | Very high | 42 Ų | 42 | 53.5 Ų | 53.5 | 22% | 0.215 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -1.1 | 173.7 | 70.2 | 174.7 | 0 | 0 | 0 | 113.1 | Y30 L31 A36 L284 | Y30-I34 HydrophobicContact CD1-CD1 4.39Å; Y30-I34 HydrophobicContact CD2-CG2 3.98Å; Y30-I34 HydrophobicContact CE1-CD1 3.83Å; Y30-I34 HydrophobicContact CE1-CG2 4.34Å; Y30-I34 HydrophobicContact CE2-CG2 3.48Å; Y30-I34 VanDerWaalsContact CE2-CG2 3.48Å; Y30-I34 WeakPolarHBondContact O-CG1 3.33Å; Y30-I34 PolarHBondContact O-N 3.42Å; L31-I34 HydrophobicContact CD2-CD1 4.27Å; L31-I34 WeakPolarHBondContact O-CG1 3.27Å; I34-A36 HydrophobicContact CD1-CB 4Å; I34-A36 HydrophobicContact CG1-CB 3.88Å; I34-L284 HydrophobicContact CB-CD2 4.43Å; I34-L284 WeakPolarHBondContact O-CD2 3.46Å |
| 35 | G | 90.8 | Very high | 93.7 | Very high | 52 Ų | 52 | 59.8 Ų | 59.8 | 54% | 0.536 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 6.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | L32 H33 K37 | L32-G35 PolarHBondContact O-N 3.15Å; H33-G35 PolarHBondContact O-N 2.94Å; G35-K37 PolarHBondContact O-N 3.45Å |
| 36 | A | 93.2 | Very high | 93.7 | Very high | 31 Ų | 31 | 65.7 Ų | 65.7 | 26% | 0.256 | 34% | 0.342 | S | S | . | . | trans | -80.4 | 53.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L31 I34 N38 A39 A40 | L31-A36 HydrophobicContact CD2-CB 4.28Å; L31-A36 CarbonylContact O-C 3.6Å; L31-A36 WeakPolarHBondContact O-CA 3.41Å; L31-A36 WeakPolarHBondContact O-CB 3.4Å; L31-A36 PolarHBondContact O-N 3.26Å; I34-A36 HydrophobicContact CD1-CB 4Å; I34-A36 HydrophobicContact CG1-CB 3.88Å; A36-N38 VanDerWaalsContact C-N 3.32Å; A36-N38 PolarHBondContact O-N 3.26Å; A36-A39 HydrophobicContact CB-CB 4.2Å; A36-A39 PolarHBondContact O-N 3.19Å; A36-A39 VanDerWaalsContact O-N 3.1Å; A36-A40 PolarHBondContact O-N 2.95Å | ||
| 37 | K | 93 | Very high | 93.7 | Very high | 136 Ų | 136 | 66.3 Ų | 66.3 | 59% | 0.591 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -55.4 | -41.7 | -173.1 | -63.1 | -175 | 179.1 | -180 | 0 | 113.5 | L32 G35 A40 Q41 | L32-K37 HydrophobicContact CD1-CG 4.12Å; G35-K37 PolarHBondContact O-N 3.45Å; K37-A40 WeakPolarHBondContact O-CB 3.48Å; K37-A40 PolarHBondContact O-N 3Å; K37-Q41 WeakPolarHBondContact O-CG 3.44Å; K37-Q41 PolarHBondContact O-N 3.22Å |
| 38 | N | 94.7 | Very high | 93.6 | Very high | 127 Ų | 127 | 74.7 Ų | 74.7 | 68% | 0.679 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 179.1 | -65.3 | -18.5 | 0 | 0 | 0 | 111.5 | A36 A40 Q41 T42 | A36-N38 VanDerWaalsContact C-N 3.32Å; A36-N38 PolarHBondContact O-N 3.26Å; N38-A40 VanDerWaalsContact C-N 3.34Å; N38-Q41 PolarHBondContact O-N 3.43Å; N38-T42 PolarHBondContact O-N 3.12Å; N38-T42 PolarHBondContact O-OG1 3.47Å |
| 39 | A | 96.2 | Very high | 93.5 | Very high | 49 Ų | 49 | 75.6 Ų | 75.6 | 41% | 0.405 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -65.4 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L31 A36 Q41 T42 F43 | L31-A39 HydrophobicContact CD2-CB 4.4Å; A36-A39 HydrophobicContact CB-CB 4.2Å; A36-A39 PolarHBondContact O-N 3.19Å; A36-A39 VanDerWaalsContact O-N 3.1Å; A39-Q41 VanDerWaalsContact C-N 3.33Å; A39-Q41 PolarHBondContact O-N 2.97Å; A39-T42 PolarHBondContact O-N 3.3Å; A39-F43 VanDerWaalsContact O-CB 3.27Å; A39-F43 WeakPolarHBondContact O-CB 3.18Å; A39-F43 PolarHBondContact O-N 3.22Å |
| 40 | A | 94.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 81.9 Ų | 81.9 | 0% | 0 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y28 L31 A36 K37 N38 L44 | Y28-A40 HydrophobicContact CD2-CB 3.78Å; Y28-A40 WeakPolarHBondContact CD2-O 3.37Å; Y28-A40 HydrophobicContact CE2-CB 3.66Å; L31-A40 HydrophobicContact CB-CB 3.71Å; L31-A40 HydrophobicContact CD1-CB 4.44Å; A36-A40 PolarHBondContact O-N 2.95Å; K37-A40 WeakPolarHBondContact O-CB 3.48Å; K37-A40 PolarHBondContact O-N 3Å; N38-A40 VanDerWaalsContact C-N 3.34Å; A40-L44 PolarHBondContact O-N 2.98Å |
| 41 | Q | 93.3 | Very high | 93.1 | Very high | 119 Ų | 119 | 82.4 Ų | 82.4 | 56% | 0.556 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67 | -46.9 | 177 | -73.6 | -176.5 | -35.5 | 0 | 0 | 112.6 | K37 N38 A39 F43 L44 Q45 | K37-Q41 WeakPolarHBondContact O-CG 3.44Å; K37-Q41 PolarHBondContact O-N 3.22Å; N38-Q41 PolarHBondContact O-N 3.43Å; A39-Q41 VanDerWaalsContact C-N 3.33Å; A39-Q41 PolarHBondContact O-N 2.97Å; Q41-F43 VanDerWaalsContact C-N 3.27Å; Q41-F43 PolarHBondContact O-N 3.46Å; Q41-L44 PolarHBondContact O-N 3.2Å; Q41-Q45 WeakPolarHBondContact O-CG 3.42Å; Q41-Q45 PolarHBondContact O-N 2.93Å |
| 42 | T | 95.7 | Very high | 92.7 | Very high | 79 Ų | 79 | 89.1 Ų | 89.1 | 49% | 0.485 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -58.7 | -42.2 | 176.4 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | N38 A39 L44 Q45 E46 | N38-T42 PolarHBondContact O-N 3.12Å; N38-T42 PolarHBondContact O-OG1 3.47Å; A39-T42 PolarHBondContact O-N 3.3Å; T42-L44 PolarHBondContact O-N 3.45Å; T42-Q45 PolarHBondContact O-N 3.4Å; T42-E46 WeakPolarHBondContact O-CB 3.31Å; T42-E46 PolarHBondContact O-N 3.4Å |
| 43 | F | 96.4 | Very high | 92.3 | Very high | 49 Ų | 49 | 89.1 Ų | 89.1 | 22% | 0.215 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -58.1 | -45.5 | 178.3 | 176 | -109.8 | 0 | 0 | 0 | 112.6 | A24 V27 L31 A39 Q41 Q45 E46 I47 | A24-F43 HydrophobicContact CB-CE1 4.28Å; A24-F43 HydrophobicContact CB-CZ 4.11Å; A24-F43 WeakPolarHBondContact O-CE1 3.45Å; V27-F43 HydrophobicContact CB-CE1 4.22Å; V27-F43 HydrophobicContact CB-CZ 4.22Å; V27-F43 HydrophobicContact CG1-CE1 4.06Å; V27-F43 HydrophobicContact CG1-CE2 4.38Å; V27-F43 HydrophobicContact CG1-CZ 3.98Å; L31-F43 HydrophobicContact CD1-CB 4.15Å; L31-F43 HydrophobicContact CD1-CD1 4.5Å; L31-F43 HydrophobicContact CD1-CG 4.35Å; A39-F43 VanDerWaalsContact O-CB 3.27Å; A39-F43 WeakPolarHBondContact O-CB 3.18Å; A39-F43 PolarHBondContact O-N 3.22Å; Q41-F43 VanDerWaalsContact C-N 3.27Å; Q41-F43 PolarHBondContact O-N 3.46Å; F43-Q45 VanDerWaalsContact C-N 3.35Å; F43-Q45 PolarHBondContact O-N 3.02Å; F43-E46 PolarHBondContact O-N 3.17Å; F43-I47 HydrophobicContact CD1-CD1 4.4Å; F43-I47 HydrophobicContact CD2-CG2 4.48Å; F43-I47 HydrophobicContact CE1-CD1 3.88Å; F43-I47 HydrophobicContact CE2-CG2 4.11Å; F43-I47 HydrophobicContact CZ-CD1 3.97Å; F43-I47 HydrophobicContact CZ-CG2 4.46Å; F43-I47 WeakPolarHBondContact O-CG1 3.5Å; F43-I47 PolarHBondContact O-N 2.92Å |
| 44 | L | 93.5 | Very high | 92.1 | Very high | 29 Ų | 29 | 91.1 Ų | 91.1 | 15% | 0.152 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64 | -38.5 | 176.8 | -68 | -178.4 | 0 | 0 | 0 | 113 | Y28 A40 Q41 T42 R48 W49 I53 | Y28-L44 HydrophobicContact CD2-CD1 3.64Å; Y28-L44 HydrophobicContact CD2-CD2 3.75Å; Y28-L44 HydrophobicContact CD2-CG 3.52Å; Y28-L44 HydrophobicContact CE2-CD1 3.3Å; Y28-L44 HydrophobicContact CE2-CD2 4.31Å; Y28-L44 HydrophobicContact CE2-CG 3.71Å; Y28-L44 HydrophobicContact CG-CD1 4.37Å; Y28-L44 HydrophobicContact CG-CD2 3.98Å; Y28-L44 HydrophobicContact CG-CG 4.25Å; A40-L44 PolarHBondContact O-N 2.98Å; Q41-L44 PolarHBondContact O-N 3.2Å; T42-L44 PolarHBondContact O-N 3.45Å; L44-R48 PolarHBondContact O-N 3.41Å; L44-W49 HydrophobicContact CB-CB 4.2Å; L44-W49 HydrophobicContact CD2-CB 3.7Å; L44-W49 HydrophobicContact CD2-CD2 4.39Å; L44-W49 HydrophobicContact CD2-CG 3.72Å; L44-W49 PolarHBondContact O-N 2.95Å; L44-I53 HydrophobicContact CD1-CD1 3.39Å; L44-I53 HydrophobicContact CD2-CD1 3.79Å; L44-I53 HydrophobicContact CG-CD1 4.25Å |
| 45 | Q | 94.2 | Very high | 91.9 | Very high | 147 Ų | 147 | 93 Ų | 93 | 69% | 0.687 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -66.9 | -41.9 | 178.5 | -70.4 | 178.1 | -8.5 | 0 | 0 | 111.5 | Q41 T42 F43 R48 | Q41-Q45 WeakPolarHBondContact O-CG 3.42Å; Q41-Q45 PolarHBondContact O-N 2.93Å; T42-Q45 PolarHBondContact O-N 3.4Å; F43-Q45 VanDerWaalsContact C-N 3.35Å; F43-Q45 PolarHBondContact O-N 3.02Å; Q45-R48 PolarHBondContact O-N 3.13Å; Q45-R48 VanDerWaalsContact O-N 3.17Å |
| 46 | E | 95.7 | Very high | 91.4 | Very high | 157 Ų | 157 | 92.4 Ų | 92.4 | 73% | 0.734 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -66 | -41.7 | -177.3 | -172.1 | 169.6 | -179.6 | 0 | 0 | 112.2 | T42 F43 R48 | T42-E46 WeakPolarHBondContact O-CB 3.31Å; T42-E46 PolarHBondContact O-N 3.4Å; F43-E46 PolarHBondContact O-N 3.17Å; E46-R48 PolarHBondContact O-N 2.84Å |
| 47 | I | 93.1 | Very high | 90.9 | Very high | 72 Ų | 72 | 98 Ų | 98 | 37% | 0.369 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -0.3 | 176.7 | 72.4 | -177.4 | 0 | 0 | 0 | 113.2 | A24 F43 W49 | A24-I47 HydrophobicContact CB-CD1 3.9Å; F43-I47 HydrophobicContact CD1-CD1 4.4Å; F43-I47 HydrophobicContact CD2-CG2 4.48Å; F43-I47 HydrophobicContact CE1-CD1 3.88Å; F43-I47 HydrophobicContact CE2-CG2 4.11Å; F43-I47 HydrophobicContact CZ-CD1 3.97Å; F43-I47 HydrophobicContact CZ-CG2 4.46Å; F43-I47 WeakPolarHBondContact O-CG1 3.5Å; F43-I47 PolarHBondContact O-N 2.92Å; I47-W49 VanDerWaalsContact C-N 3.3Å; I47-W49 HydrophobicContact CD1-CB 4.11Å; I47-W49 HydrophobicContact CD1-CD2 4.38Å; I47-W49 HydrophobicContact CD1-CE3 3.72Å; I47-W49 HydrophobicContact CG1-CB 3.9Å; I47-W49 HydrophobicContact CG1-CE3 4.44Å; I47-W49 PolarHBondContact O-N 3.23Å |
| 48 | R | 92.7 | Very high | 90.5 | Very high | 219 Ų | 219 | 96 Ų | 96 | 83% | 0.826 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | 46.4 | -175.6 | -55.5 | 175.8 | 65.8 | -171.4 | 0.4 | 112.1 | L44 Q45 E46 D50 | L44-R48 PolarHBondContact O-N 3.41Å; Q45-R48 PolarHBondContact O-N 3.13Å; Q45-R48 VanDerWaalsContact O-N 3.17Å; E46-R48 PolarHBondContact O-N 2.84Å; R48-D50 PolarHBondContact O-N 3.38Å |
| 49 | W | 92.8 | Very high | 89.6 | Confident | 51 Ų | 51 | 93.4 Ų | 93.4 | 19% | 0.193 | 48% | 0.483 | C | S | . | . | trans | -64.8 | 122.2 | -179.3 | -168.8 | -92.4 | 0 | 0 | 0 | 111 | E21 A24 L25 L44 I47 K51 | E21-W49 HydrophobicContact CB-CH2 4.23Å; E21-W49 HydrophobicContact CB-CZ3 4.37Å; E21-W49 VanDerWaalsContact O-CH2 3.26Å; E21-W49 WeakPolarHBondContact O-CH2 3.25Å; A24-W49 HydrophobicContact CB-CE3 4.28Å; A24-W49 HydrophobicContact CB-CZ3 3.82Å; L25-W49 HydrophobicContact CB-CH2 4.35Å; L25-W49 HydrophobicContact CB-CZ2 4.35Å; L25-W49 HydrophobicContact CD1-CZ2 4.34Å; L44-W49 HydrophobicContact CB-CB 4.2Å; L44-W49 HydrophobicContact CD2-CB 3.7Å; L44-W49 HydrophobicContact CD2-CD2 4.39Å; L44-W49 HydrophobicContact CD2-CG 3.72Å; L44-W49 PolarHBondContact O-N 2.95Å; I47-W49 VanDerWaalsContact C-N 3.3Å; I47-W49 HydrophobicContact CD1-CB 4.11Å; I47-W49 HydrophobicContact CD1-CD2 4.38Å; I47-W49 HydrophobicContact CD1-CE3 3.72Å; I47-W49 HydrophobicContact CG1-CB 3.9Å; I47-W49 HydrophobicContact CG1-CE3 4.44Å; I47-W49 PolarHBondContact O-N 3.23Å; W49-K51 VanDerWaalsContact CD1-O 3.28Å; W49-K51 HydrophobicContact CZ2-CB 4Å; W49-K51 PolarHBondContact NE1-O 2.92Å | ||
| 50 | D | 90.4 | Very high | 89.2 | Confident | 144 Ų | 144 | 91.4 Ų | 91.4 | 77% | 0.77 | 47% | 0.467 | S | S | * | . | trans | -118.4 | -4.1 | -175.9 | 67.7 | -27.5 | 0 | 0 | 0 | 113.6 | R48 | R48-D50 PolarHBondContact O-N 3.38Š| ||
| 51 | K | 87.9 | Confident | 89 | Confident | 93 Ų | 93 | 96.4 Ų | 96.4 | 40% | 0.404 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -87.8 | 151 | -177.2 | -53.4 | -169.9 | -172.1 | -168.7 | 0 | 111.9 | E21 W49 I53 | E21-K51 IonicContact OE1-NZ 2.71Å; E21-K51 PolarHBondContact OE1-NZ 2.93Å; E21-K51 IonicContact OE2-NZ 2.66Å; E21-K51 PolarHBondContact OE2-NZ 3.49Å; W49-K51 VanDerWaalsContact CD1-O 3.28Å; W49-K51 HydrophobicContact CZ2-CB 4Å; W49-K51 PolarHBondContact NE1-O 2.92Å; K51-I53 PolarHBondContact O-N 3.29Å |
| 52 | Q | 86.5 | Confident | 88.9 | Confident | 173 Ų | 173 | 92.6 Ų | 92.6 | 81% | 0.808 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 134.2 | 173.3 | -171.9 | -176.4 | 3.5 | 0 | 0 | 110.5 | ||
| 53 | I | 83.9 | Confident | 88.7 | Confident | 47 Ų | 47 | 89.3 Ų | 89.3 | 24% | 0.241 | 45% | 0.453 | C | S | . | . | P | Polyproline II helix | trans | -102.3 | 121.6 | 178.2 | -55.6 | 173.8 | 0 | 0 | 0 | 108.9 | L25 Y28 L44 K51 L55 | L25-I53 HydrophobicContact CD1-CG2 4.46Å; Y28-I53 HydrophobicContact CD1-CD1 3.94Å; Y28-I53 HydrophobicContact CD1-CG2 3.74Å; Y28-I53 HydrophobicContact CE1-CD1 3.74Å; Y28-I53 HydrophobicContact CE1-CG2 3.66Å; Y28-I53 HydrophobicContact CG-CD1 4.44Å; L44-I53 HydrophobicContact CD1-CD1 3.39Å; L44-I53 HydrophobicContact CD2-CD1 3.79Å; L44-I53 HydrophobicContact CG-CD1 4.25Å; K51-I53 PolarHBondContact O-N 3.29Å; I53-L55 HydrophobicContact CG2-CD2 4.2Å; I53-L55 HydrophobicContact CG2-CG 4.25Å |
| 54 | T | 85.5 | Confident | 88.4 | Confident | 97 Ų | 97 | 89.6 Ų | 89.6 | 60% | 0.595 | 46% | 0.461 | S | S | * | . | trans | -106.4 | 116.7 | 168.3 | 53.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 55 | L | 85.1 | Confident | 88.5 | Confident | 83 Ų | 83 | 94.6 Ų | 94.6 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | trans | -89.2 | 132.8 | 178.5 | -66.5 | 163 | 0 | 0 | 0 | 109.5 | Y28 E29 L32 I53 | Y28-L55 HydrophobicContact CD1-CD2 4.06Å; Y28-L55 HydrophobicContact CE1-CD2 3.85Å; E29-L55 HydrophobicContact CB-CD2 4.04Å; E29-L55 HydrophobicContact CG-CD2 4.08Å; L32-L55 HydrophobicContact CD2-CD1 3.3Å; L32-L55 HydrophobicContact CD2-CD2 3.89Å; L32-L55 HydrophobicContact CD2-CG 4.22Å; I53-L55 HydrophobicContact CG2-CD2 4.2Å; I53-L55 HydrophobicContact CG2-CG 4.25Å | ||
| 56 | G | 81.1 | Confident | 88.5 | Confident | 39 Ų | 39 | 93.5 Ų | 93.5 | 40% | 0.402 | 47% | 0.467 | S | S | . | . | trans | -77.8 | 176.9 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | E29 H33 | E29-G56 PolarHBondContact OE2-N 3.01Å; H33-G56 PolarHBondContact NE2-O 3.03Å | ||
| 57 | D | 83.5 | Confident | 88.4 | Confident | 147 Ų | 147 | 87.5 Ų | 87.5 | 79% | 0.786 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -71.8 | 143.9 | 171.8 | -70 | -49 | 0 | 0 | 0 | 111.1 | G60 | D57-G60 PolarHBondContact O-N 2.73Å; D57-G60 VanDerWaalsContact O-N 3.11Å |
| 58 | P | 82.7 | Confident | 88.3 | Confident | 95 Ų | 95 | 88.2 Ų | 88.2 | 62% | 0.617 | 45% | 0.45 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | 143.5 | 172.7 | 23.8 | -31.3 | 0 | 0 | 0 | 110.6 | ||
| 59 | P | 77.3 | Confident | 88.3 | Confident | 72 Ų | 72 | 81.9 Ų | 81.9 | 47% | 0.468 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -81.7 | -2.5 | 17.6 | 32.9 | -37.7 | 0 | 0 | 0 | 115.6 | H33 C63 | H33-P59 PolarHBondContact ND1-O 2.9Å; P59-C63 HydrophobicContact CB-CB 4.21Å; P59-C63 VanDerWaalsContact O-CB 3.32Å; P59-C63 WeakPolarHBondContact O-CB 3.35Å |
| 60 | G | 86.3 | Confident | 88.3 | Confident | 7 Ų | 7 | 83.7 Ų | 83.7 | 7% | 0.072 | 44% | 0.436 | C | S | . | . | trans | 84 | 162.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | E29 H33 D57 S64 | E29-G60 WeakPolarHBondContact OE1-CA 3.18Å; H33-G60 PolarHBondContact ND1-N 3.31Å; D57-G60 PolarHBondContact O-N 2.73Å; D57-G60 VanDerWaalsContact O-N 3.11Å; G60-S64 PolarHBondContact O-N 3.25Å; G60-S64 PolarHBondContact O-OG 3.37Å | ||
| 61 | F | 90.4 | Very high | 88.3 | Confident | 105 Ų | 105 | 78.4 Ų | 78.4 | 46% | 0.461 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.6 | -46.8 | -171.9 | 178.3 | -95.7 | 0 | 0 | 0 | 112.3 | Y26 E29 C63 S64 W65 | Y26-F61 HydrophobicContact CD1-CB 3.89Å; Y26-F61 AromaticContact CD1-CD1 3.87Å; Y26-F61 HydrophobicContact CD1-CD1 3.87Å; Y26-F61 HydrophobicContact CD1-CG 4.2Å; Y26-F61 AromaticContact CD2-CD1 3.67Å; Y26-F61 HydrophobicContact CD2-CD1 3.67Å; Y26-F61 HydrophobicContact CD2-CE1 4.04Å; Y26-F61 HydrophobicContact CE1-CB 3.79Å; Y26-F61 AromaticContact CE1-CD1 3.67Å; Y26-F61 HydrophobicContact CE1-CD1 3.67Å; Y26-F61 HydrophobicContact CE1-CE1 4.5Å; Y26-F61 AromaticContact CE1-CG 3.83Å; Y26-F61 HydrophobicContact CE1-CG 3.83Å; Y26-F61 AromaticContact CE2-CD1 3.43Å; Y26-F61 HydrophobicContact CE2-CD1 3.43Å; Y26-F61 VanDerWaalsContact CE2-CD1 3.43Å; Y26-F61 AromaticContact CE2-CE1 3.56Å; Y26-F61 HydrophobicContact CE2-CE1 3.56Å; Y26-F61 HydrophobicContact CE2-CG 4.35Å; Y26-F61 AromaticContact CG-CD1 3.89Å; Y26-F61 HydrophobicContact CG-CD1 3.89Å; Y26-F61 AromaticContact CZ-CD1 3.43Å; Y26-F61 VanDerWaalsContact CZ-CD1 3.43Å; Y26-F61 AromaticContact CZ-CE1 3.82Å; Y26-F61 AromaticContact CZ-CG 3.91Å; E29-F61 PolarHBondContact OE1-N 2.95Å; F61-C63 VanDerWaalsContact C-N 3.32Å; F61-C63 PolarHBondContact O-N 3.26Å; F61-S64 PolarHBondContact O-N 3.21Å; F61-W65 HydrophobicContact CE1-CB 4.43Å; F61-W65 HydrophobicContact CZ-CB 4.49Å; F61-W65 WeakPolarHBondContact O-CB 3.04Å; F61-W65 PolarHBondContact O-N 2.97Å |
| 62 | L | 93 | Very high | 88.4 | Confident | 39 Ų | 39 | 76.8 Ų | 76.8 | 20% | 0.204 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -60.8 | -43.9 | -175.9 | -165.8 | 60.8 | 0 | 0 | 0 | 111.7 | L23 V27 Y30 W66 | L23-L62 HydrophobicContact CD1-CD1 4.41Å; V27-L62 HydrophobicContact CG2-CD2 3.98Å; Y30-L62 HydrophobicContact CG-CD2 4.39Å; L62-W66 WeakPolarHBondContact O-CB 3.45Å; L62-W66 PolarHBondContact O-N 3.3Å |
| 63 | C | 91 | Very high | 88.5 | Confident | 10 Ų | 10 | 72.7 Ų | 72.7 | 7% | 0.068 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -60.8 | -53.9 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 110.9 | P59 F61 W65 W66 C67 Y290 | P59-C63 HydrophobicContact CB-CB 4.21Å; P59-C63 VanDerWaalsContact O-CB 3.32Å; P59-C63 WeakPolarHBondContact O-CB 3.35Å; F61-C63 VanDerWaalsContact C-N 3.32Å; F61-C63 PolarHBondContact O-N 3.26Å; C63-W65 VanDerWaalsContact C-N 3.31Å; C63-W65 PolarHBondContact O-N 3.26Å; C63-W66 PolarHBondContact O-N 2.88Å; C63-C67 PolarHBondContact O-N 2.87Å; C63-C67 PolarHBondContact O-SG 3.43Å; C63-Y290 WeakPolarHBondContact SG-CE1 3.16Å; C63-Y290 VanDerWaalsContact SG-CZ 3.57Å; C63-Y290 PolarHBondContact SG-OH 3.33Å |
| 64 | S | 90.7 | Very high | 88.8 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -58.8 | -45.9 | -176 | -54.6 | 0 | 0 | 0 | 0 | 111.4 | G60 F61 V68 | G60-S64 PolarHBondContact O-N 3.25Å; G60-S64 PolarHBondContact O-OG 3.37Å; F61-S64 PolarHBondContact O-N 3.21Å; S64-V68 WeakPolarHBondContact O-CG2 3.34Å; S64-V68 PolarHBondContact O-N 2.89Å |
| 65 | W | 94.3 | Very high | 88.9 | Confident | 135 Ų | 135 | 66 Ų | 66 | 51% | 0.511 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 178.4 | -176.9 | 85.9 | 0 | 0 | 0 | 112.1 | F61 C63 V68 F69 | F61-W65 HydrophobicContact CE1-CB 4.43Å; F61-W65 HydrophobicContact CZ-CB 4.49Å; F61-W65 WeakPolarHBondContact O-CB 3.04Å; F61-W65 PolarHBondContact O-N 2.97Å; C63-W65 VanDerWaalsContact C-N 3.31Å; C63-W65 PolarHBondContact O-N 3.26Å; W65-V68 PolarHBondContact O-N 3.47Å; W65-F69 HydrophobicContact CE3-CB 4.39Å; W65-F69 HydrophobicContact CH2-CB 4.21Å; W65-F69 HydrophobicContact CH2-CD2 4.11Å; W65-F69 HydrophobicContact CH2-CG 4.12Å; W65-F69 HydrophobicContact CZ2-CB 4.46Å; W65-F69 HydrophobicContact CZ2-CD2 4.44Å; W65-F69 HydrophobicContact CZ3-CB 4.17Å; W65-F69 HydrophobicContact CZ3-CG 4.31Å; W65-F69 WeakPolarHBondContact O-CB 3.25Å; W65-F69 PolarHBondContact O-N 3.34Å |
| 66 | W | 94.7 | Very high | 88.9 | Confident | 123 Ų | 123 | 63 Ų | 63 | 47% | 0.466 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.9 | -41.2 | 178 | -178.6 | -102.3 | 0 | 0 | 0 | 112.2 | L62 C63 V68 F69 W70 | L62-W66 WeakPolarHBondContact O-CB 3.45Å; L62-W66 PolarHBondContact O-N 3.3Å; C63-W66 PolarHBondContact O-N 2.88Å; W66-V68 PolarHBondContact O-N 2.89Å; W66-F69 AromaticContact CE3-CD1 3.9Å; W66-F69 HydrophobicContact CE3-CD1 3.9Å; W66-F69 HydrophobicContact CH2-CD1 4.21Å; W66-F69 HydrophobicContact CH2-CE1 4.15Å; W66-F69 AromaticContact CZ3-CD1 3.68Å; W66-F69 HydrophobicContact CZ3-CD1 3.68Å; W66-F69 AromaticContact CZ3-CE1 3.84Å; W66-F69 HydrophobicContact CZ3-CE1 3.84Å; W66-F69 PolarHBondContact O-N 2.9Å; W66-W70 HydrophobicContact CZ2-CE3 4.04Å; W66-W70 WeakPolarHBondContact O-CB 3.45Å; W66-W70 PolarHBondContact O-N 2.87Å |
| 67 | C | 92.4 | Very high | 88.9 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 22% | 0.216 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.9 | -47 | 174.5 | -70.5 | 0 | 0 | 0 | 0 | 111.3 | C63 W70 D71 C293 | C63-C67 PolarHBondContact O-N 2.87Å; C63-C67 PolarHBondContact O-SG 3.43Å; C67-W70 PolarHBondContact O-N 3.07Å; C67-D71 VanDerWaalsContact O-CB 3.26Å; C67-D71 WeakPolarHBondContact O-CB 3.28Å; C67-D71 PolarHBondContact O-N 3.38Å; C67-C293 VanDerWaalsContact SG-SG 3.68Å |
| 68 | V | 91.5 | Very high | 88.7 | Confident | 87 Ų | 87 | 66.7 Ų | 66.7 | 53% | 0.527 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 111.6 | S64 W65 W66 W70 D71 L72 | S64-V68 WeakPolarHBondContact O-CG2 3.34Å; S64-V68 PolarHBondContact O-N 2.89Å; W65-V68 PolarHBondContact O-N 3.47Å; W66-V68 PolarHBondContact O-N 2.89Å; V68-W70 VanDerWaalsContact C-N 3.33Å; V68-W70 PolarHBondContact O-N 3.08Å; V68-D71 PolarHBondContact O-N 3.48Å; V68-L72 HydrophobicContact CG1-CD1 3.95Å; V68-L72 WeakPolarHBondContact O-CB 3.1Å; V68-L72 WeakPolarHBondContact O-CG 3.33Å; V68-L72 PolarHBondContact O-N 3.24Å |
| 69 | F | 93.2 | Very high | 88.5 | Confident | 85 Ų | 85 | 66.4 Ų | 66.4 | 37% | 0.373 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 178.3 | 171.3 | -97.9 | 0 | 0 | 0 | 111.5 | W65 W66 L72 Y73 | W65-F69 HydrophobicContact CE3-CB 4.39Å; W65-F69 HydrophobicContact CH2-CB 4.21Å; W65-F69 HydrophobicContact CH2-CD2 4.11Å; W65-F69 HydrophobicContact CH2-CG 4.12Å; W65-F69 HydrophobicContact CZ2-CB 4.46Å; W65-F69 HydrophobicContact CZ2-CD2 4.44Å; W65-F69 HydrophobicContact CZ3-CB 4.17Å; W65-F69 HydrophobicContact CZ3-CG 4.31Å; W65-F69 WeakPolarHBondContact O-CB 3.25Å; W65-F69 PolarHBondContact O-N 3.34Å; W66-F69 AromaticContact CE3-CD1 3.9Å; W66-F69 HydrophobicContact CE3-CD1 3.9Å; W66-F69 HydrophobicContact CH2-CD1 4.21Å; W66-F69 HydrophobicContact CH2-CE1 4.15Å; W66-F69 AromaticContact CZ3-CD1 3.68Å; W66-F69 HydrophobicContact CZ3-CD1 3.68Å; W66-F69 AromaticContact CZ3-CE1 3.84Å; W66-F69 HydrophobicContact CZ3-CE1 3.84Å; W66-F69 PolarHBondContact O-N 2.9Å; F69-L72 PolarHBondContact O-N 3.36Å; F69-Y73 VanDerWaalsContact O-CB 3.32Å; F69-Y73 WeakPolarHBondContact O-CB 3.45Å; F69-Y73 PolarHBondContact O-N 3.26Å |
| 70 | W | 91.8 | Very high | 88.4 | Confident | 89 Ų | 89 | 65.2 Ų | 65.2 | 34% | 0.337 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | -179 | -175.5 | -100.9 | 0 | 0 | 0 | 111.6 | W66 C67 V68 L72 Y73 C74 C293 | W66-W70 HydrophobicContact CZ2-CE3 4.04Å; W66-W70 WeakPolarHBondContact O-CB 3.45Å; W66-W70 PolarHBondContact O-N 2.87Å; C67-W70 PolarHBondContact O-N 3.07Å; V68-W70 VanDerWaalsContact C-N 3.33Å; V68-W70 PolarHBondContact O-N 3.08Å; W70-L72 PolarHBondContact O-N 3.19Å; W70-Y73 HydrophobicContact CE3-CD1 4.04Å; W70-Y73 HydrophobicContact CH2-CD1 4.48Å; W70-Y73 HydrophobicContact CH2-CE1 4.45Å; W70-Y73 AromaticContact CZ3-CD1 3.91Å; W70-Y73 HydrophobicContact CZ3-CD1 3.91Å; W70-Y73 AromaticContact CZ3-CE1 4Å; W70-Y73 HydrophobicContact CZ3-CE1 4Å; W70-Y73 CarbonylContact O-C 3.58Å; W70-Y73 WeakPolarHBondContact O-CA 3.46Å; W70-Y73 WeakPolarHBondContact O-CB 3.11Å; W70-Y73 PolarHBondContact O-N 3.46Å; W70-C74 PolarHBondContact NE1-SG 3.47Å; W70-C74 WeakPolarHBondContact O-CB 3.38Å; W70-C74 PolarHBondContact O-N 3.14Å; W70-C74 PolarHBondContact O-SG 2.99Å; W70-C293 PolarHBondContact NE1-O 3.34Å |
| 71 | D | 90.8 | Very high | 87.7 | Confident | 33 Ų | 33 | 72.5 Ų | 72.5 | 18% | 0.176 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 174.7 | -173 | 28 | 0 | 0 | 0 | 112 | C67 V68 Y73 C74 A75 H85 S86 A89 | C67-D71 VanDerWaalsContact O-CB 3.26Å; C67-D71 WeakPolarHBondContact O-CB 3.28Å; C67-D71 PolarHBondContact O-N 3.38Å; V68-D71 PolarHBondContact O-N 3.48Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 3.4Å; D71-C74 PolarHBondContact O-N 3.46Å; D71-A75 VanDerWaalsContact O-CB 3.24Å; D71-A75 WeakPolarHBondContact O-CB 3.26Å; D71-A75 PolarHBondContact O-N 3.46Å; D71-H85 WeakPolarHBondContact OD1-CA 3.18Å; D71-S86 PolarHBondContact OD1-N 3.5Å; D71-S86 WeakPolarHBondContact OD2-CB 3.44Å; D71-S86 PolarHBondContact OD2-OG 3.25Å; D71-A89 HydrophobicContact CB-CB 4.39Å; D71-A89 WeakPolarHBondContact OD2-CB 3.49Å |
| 72 | L | 90.7 | Very high | 87 | Confident | 59 Ų | 59 | 73.1 Ų | 73.1 | 31% | 0.309 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.6 | -36.9 | 172.3 | -74.4 | 167.8 | 0 | 0 | 0 | 112.7 | V68 F69 W70 A75 A76 A89 F92 H93 | V68-L72 HydrophobicContact CG1-CD1 3.95Å; V68-L72 WeakPolarHBondContact O-CB 3.1Å; V68-L72 WeakPolarHBondContact O-CG 3.33Å; V68-L72 PolarHBondContact O-N 3.24Å; F69-L72 PolarHBondContact O-N 3.36Å; W70-L72 PolarHBondContact O-N 3.19Å; L72-A75 CarbonylContact O-C 3.51Å; L72-A75 PolarHBondContact O-N 3.46Å; L72-A76 PolarHBondContact O-N 3.28Å; L72-A89 HydrophobicContact CD2-CB 4.07Å; L72-A89 HydrophobicContact CG-CB 4.46Å; L72-F92 HydrophobicContact CD2-CB 3.92Å; L72-F92 HydrophobicContact CD2-CD2 4.46Å; L72-F92 HydrophobicContact CD2-CG 4.33Å; L72-H93 PolarHBondContact O-NE2 3.47Å |
| 73 | Y | 89.1 | Confident | 86.1 | Confident | 88 Ų | 88 | 73.1 Ų | 73.1 | 35% | 0.345 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.8 | -42 | 178.7 | -179.8 | -111.6 | 0 | 0 | 0 | 112 | F69 W70 D71 A75 A76 R79 | F69-Y73 VanDerWaalsContact O-CB 3.32Å; F69-Y73 WeakPolarHBondContact O-CB 3.45Å; F69-Y73 PolarHBondContact O-N 3.26Å; W70-Y73 HydrophobicContact CE3-CD1 4.04Å; W70-Y73 HydrophobicContact CH2-CD1 4.48Å; W70-Y73 HydrophobicContact CH2-CE1 4.45Å; W70-Y73 AromaticContact CZ3-CD1 3.91Å; W70-Y73 HydrophobicContact CZ3-CD1 3.91Å; W70-Y73 AromaticContact CZ3-CE1 4Å; W70-Y73 HydrophobicContact CZ3-CE1 4Å; W70-Y73 CarbonylContact O-C 3.58Å; W70-Y73 WeakPolarHBondContact O-CA 3.46Å; W70-Y73 WeakPolarHBondContact O-CB 3.11Å; W70-Y73 PolarHBondContact O-N 3.46Å; D71-Y73 VanDerWaalsContact C-N 3.32Å; D71-Y73 PolarHBondContact O-N 3.4Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; Y73-A76 WeakPolarHBondContact O-CB 3.21Å; Y73-A76 PolarHBondContact O-N 3.48Å; Y73-R79 PolarHBondContact OH-NH1 3.47Å; Y73-R79 PolarHBondContact OH-NH2 3.06Å |
| 74 | C | 90 | Very high | 85.6 | Confident | 3 Ų | 3 | 79.7 Ų | 79.7 | 2% | 0.02 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -65.1 | -37.7 | 173.5 | -66.7 | 0 | 0 | 0 | 0 | 111.4 | W70 D71 A76 E84 H85 | W70-C74 PolarHBondContact NE1-SG 3.47Å; W70-C74 WeakPolarHBondContact O-CB 3.38Å; W70-C74 PolarHBondContact O-N 3.14Å; W70-C74 PolarHBondContact O-SG 2.99Å; D71-C74 PolarHBondContact O-N 3.46Å; C74-A76 PolarHBondContact O-N 2.54Å; C74-E84 WeakPolarHBondContact CB-O 3.43Å; C74-H85 HydrophobicContact CB-CB 3.9Å |
| 75 | A | 87 | Confident | 85.3 | Confident | 0 Ų | 0 | 79.7 Ų | 79.7 | 0% | 0 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75 | 2.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D71 L72 Y73 R80 H85 A89 H93 | D71-A75 VanDerWaalsContact O-CB 3.24Å; D71-A75 WeakPolarHBondContact O-CB 3.26Å; D71-A75 PolarHBondContact O-N 3.46Å; L72-A75 CarbonylContact O-C 3.51Å; L72-A75 PolarHBondContact O-N 3.46Å; Y73-A75 VanDerWaalsContact C-N 3.33Å; A75-R80 VanDerWaalsContact O-CZ 3.3Å; A75-R80 PolarHBondContact O-NE 3.07Å; A75-R80 PolarHBondContact O-NH2 3.36Å; A75-R80 VanDerWaalsContact O-NH2 3.09Å; A75-H85 HydrophobicContact CB-CB 3.92Å; A75-A89 VanDerWaalsContact CB-C 3.5Å; A75-A89 HydrophobicContact CB-CB 3.56Å; A75-H93 PolarHBondContact O-CD2 2.89Å |
| 76 | A | 85.8 | Confident | 85 | Confident | 21 Ų | 21 | 75.2 Ų | 75.2 | 17% | 0.174 | 38% | 0.378 | C | S | . | . | S | Bend | trans | -66.6 | 136.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | L72 Y73 C74 E78 R79 R80 | L72-A76 PolarHBondContact O-N 3.28Å; Y73-A76 WeakPolarHBondContact O-CB 3.21Å; Y73-A76 PolarHBondContact O-N 3.48Å; C74-A76 PolarHBondContact O-N 2.54Å; A76-E78 PolarHBondContact O-N 3.46Å; A76-R79 PolarHBondContact O-N 2.83Å; A76-R80 WeakPolarHBondContact O-CG 3.33Å; A76-R80 PolarHBondContact O-N 3.33Å |
| 77 | P | 79.8 | Confident | 84.5 | Confident | 87 Ų | 87 | 76.1 Ų | 76.1 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -30.4 | -172.2 | -29.9 | 34.7 | 0 | 0 | 0 | 115.9 | R79 | P77-R79 VanDerWaalsContact C-N 3.32Å; P77-R79 PolarHBondContact O-N 3.31Å |
| 78 | E | 80 | Confident | 84.2 | Confident | 175 Ų | 175 | 81.1 Ų | 81.1 | 82% | 0.818 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -17.4 | 179.4 | -172.6 | 173.2 | -176.2 | 0 | 0 | 114.2 | A76 | A76-E78 PolarHBondContact O-N 3.46Š|
| 79 | R | 78.5 | Confident | 84 | Confident | 90 Ų | 90 | 77.1 Ų | 77.1 | 34% | 0.34 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.8 | -13.4 | -168 | -66 | 172.3 | -174.6 | -113.3 | -0.2 | 114.7 | Y73 A76 P77 D81 T82 S83 | Y73-R79 PolarHBondContact OH-NH1 3.47Å; Y73-R79 PolarHBondContact OH-NH2 3.06Å; A76-R79 PolarHBondContact O-N 2.83Å; P77-R79 VanDerWaalsContact C-N 3.32Å; P77-R79 PolarHBondContact O-N 3.31Å; R79-D81 PolarHBondContact O-N 3.48Å; R79-D81 VanDerWaalsContact O-N 3.09Å; R79-T82 PolarHBondContact O-N 2.69Å; R79-T82 PolarHBondContact O-OG1 2.89Å; R79-S83 PolarHBondContact O-N 2.81Å |
| 80 | R | 75.7 | Confident | 83.6 | Confident | 46 Ų | 46 | 76.8 Ų | 76.8 | 17% | 0.174 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -31.4 | -174 | -61.1 | -174.5 | 179.6 | 171.4 | -8.6 | 114 | A75 A76 T82 H85 K90 D94 | A75-R80 VanDerWaalsContact O-CZ 3.3Å; A75-R80 PolarHBondContact O-NE 3.07Å; A75-R80 PolarHBondContact O-NH2 3.36Å; A75-R80 VanDerWaalsContact O-NH2 3.09Å; A76-R80 WeakPolarHBondContact O-CG 3.33Å; A76-R80 PolarHBondContact O-N 3.33Å; R80-T82 PolarHBondContact O-N 2.93Å; R80-H85 WeakPolarHBondContact CG-NE2 3.41Å; R80-K90 PolarHBondContact NH2-O 3.22Å; R80-D94 IonicContact CZ-OD1 3.19Å; R80-D94 IonicContact NH1-OD1 2.62Å; R80-D94 PolarHBondContact NH1-OD1 3.18Å; R80-D94 IonicContact NH1-OD2 2.66Å; R80-D94 IonicContact NH2-OD1 2.84Å; R80-D94 PolarHBondContact NH2-OD1 2.83Å |
| 81 | D | 71.8 | Confident | 83.3 | Confident | 161 Ų | 161 | 74.2 Ų | 74.2 | 86% | 0.861 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -11.8 | -180 | -60.2 | -42 | 0 | 0 | 0 | 113.3 | R79 | R79-D81 PolarHBondContact O-N 3.48Å; R79-D81 VanDerWaalsContact O-N 3.09Å |
| 82 | T | 75 | Confident | 83 | Confident | 118 Ų | 118 | 78 Ų | 78 | 72% | 0.724 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -14.9 | -173.1 | 61.8 | 0 | 0 | 0 | 0 | 114.4 | R79 R80 | R79-T82 PolarHBondContact O-N 2.69Å; R79-T82 PolarHBondContact O-OG1 2.89Å; R80-T82 PolarHBondContact O-N 2.93Å |
| 83 | S | 73.9 | Confident | 82.7 | Confident | 39 Ų | 39 | 77.3 Ų | 77.3 | 27% | 0.273 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -133.8 | 130.9 | -170.7 | -54.4 | 0 | 0 | 0 | 0 | 110 | R79 | R79-S83 PolarHBondContact O-N 2.81Š|
| 84 | E | 80.9 | Confident | 82.3 | Confident | 148 Ų | 148 | 76.2 Ų | 76.2 | 69% | 0.692 | 39% | 0.394 | S | S | * | . | trans | -65.4 | 138.9 | 174.3 | -64.9 | 179.7 | 167.7 | 0 | 0 | 109.9 | C74 | C74-E84 WeakPolarHBondContact CB-O 3.43Š| ||
| 85 | H | 85.4 | Confident | 81.7 | Confident | 55 Ų | 55 | 85.7 Ų | 85.7 | 26% | 0.255 | 43% | 0.431 | S | S | . | . | trans | -152.2 | 159.4 | -178.9 | 63.8 | 54.6 | 0 | 0 | 0 | 111.1 | D71 C74 A75 R80 | D71-H85 WeakPolarHBondContact OD1-CA 3.18Å; C74-H85 HydrophobicContact CB-CB 3.9Å; A75-H85 HydrophobicContact CB-CB 3.92Å; R80-H85 WeakPolarHBondContact CG-NE2 3.41Å | ||
| 86 | S | 86.1 | Confident | 80.5 | Confident | 41 Ų | 41 | 86.5 Ų | 86.5 | 29% | 0.287 | 44% | 0.44 | S | S | . | . | trans | -75.3 | 154.8 | 176.5 | 83.2 | 0 | 0 | 0 | 0 | 112.4 | D71 E88 A89 K90 | D71-S86 PolarHBondContact OD1-N 3.5Å; D71-S86 WeakPolarHBondContact OD2-CB 3.44Å; D71-S86 PolarHBondContact OD2-OG 3.25Å; S86-E88 PolarHBondContact O-N 3.01Å; S86-E88 PolarHBondContact OG-N 2.84Å; S86-A89 PolarHBondContact O-N 3.35Å; S86-A89 WeakPolarHBondContact OG-CB 3.33Å; S86-A89 PolarHBondContact OG-N 3.4Å; S86-K90 PolarHBondContact O-N 3.06Å | ||
| 87 | N | 84.6 | Confident | 79.1 | Confident | 141 Ų | 141 | 93.1 Ų | 93.1 | 75% | 0.754 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -66 | -27.9 | 174.3 | -70.4 | -51.7 | 0 | 0 | 0 | 112.2 | A91 | N87-A91 WeakPolarHBondContact O-CB 3.39Å; N87-A91 PolarHBondContact O-N 3.32Å |
| 88 | E | 87.6 | Confident | 77.9 | Confident | 138 Ų | 138 | 95.4 Ų | 95.4 | 65% | 0.645 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70.2 | -47.8 | 177.6 | -177.6 | 169.1 | -177 | 0 | 0 | 110.5 | S86 K90 A91 F92 | S86-E88 PolarHBondContact O-N 3.01Å; S86-E88 PolarHBondContact OG-N 2.84Å; E88-K90 VanDerWaalsContact C-N 3.3Å; E88-K90 PolarHBondContact O-N 3.4Å; E88-A91 WeakPolarHBondContact O-CB 3.48Å; E88-A91 PolarHBondContact O-N 3.47Å; E88-F92 HydrophobicContact CG-CD2 4.04Å; E88-F92 HydrophobicContact CG-CE2 3.67Å; E88-F92 WeakPolarHBondContact O-CD2 3.41Å; E88-F92 PolarHBondContact O-N 3.23Å |
| 89 | A | 87.1 | Confident | 76.3 | Confident | 3 Ų | 3 | 91.9 Ų | 91.9 | 3% | 0.025 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.4 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D71 L72 A75 S86 F92 H93 | D71-A89 HydrophobicContact CB-CB 4.39Å; D71-A89 WeakPolarHBondContact OD2-CB 3.49Å; L72-A89 HydrophobicContact CD2-CB 4.07Å; L72-A89 HydrophobicContact CG-CB 4.46Å; A75-A89 VanDerWaalsContact CB-C 3.5Å; A75-A89 HydrophobicContact CB-CB 3.56Å; S86-A89 PolarHBondContact O-N 3.35Å; S86-A89 WeakPolarHBondContact OG-CB 3.33Å; S86-A89 PolarHBondContact OG-N 3.4Å; A89-F92 PolarHBondContact O-N 3.49Å; A89-H93 PolarHBondContact O-CD2 3.47Å; A89-H93 PolarHBondContact O-N 3.44Å |
| 90 | K | 85.1 | Confident | 74.6 | Confident | 77 Ų | 77 | 91.4 Ų | 91.4 | 34% | 0.335 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 172.2 | -176.6 | 179.4 | -176.6 | -67.1 | 0 | 111.6 | R80 S86 E88 F92 H93 D94 | R80-K90 PolarHBondContact NH2-O 3.22Å; S86-K90 PolarHBondContact O-N 3.06Å; E88-K90 VanDerWaalsContact C-N 3.3Å; E88-K90 PolarHBondContact O-N 3.4Å; K90-F92 VanDerWaalsContact C-N 3.3Å; K90-F92 PolarHBondContact O-N 2.76Å; K90-H93 PolarHBondContact O-N 3.45Å; K90-D94 WeakPolarHBondContact CG-OD2 3.24Å; K90-D94 IonicContact NZ-OD2 3.65Å; K90-D94 PolarHBondContact NZ-OD2 2.71Å; K90-D94 WeakPolarHBondContact O-CB 3.39Å; K90-D94 VanDerWaalsContact O-CG 3.24Å; K90-D94 PolarHBondContact O-N 3.42Å |
| 91 | A | 85.3 | Confident | 72.9 | Confident | 36 Ų | 36 | 92.3 Ų | 92.3 | 30% | 0.298 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 179 | 0 | 0 | 0 | 0 | 0 | 112.5 | N87 E88 H93 D94 Y95 | N87-A91 WeakPolarHBondContact O-CB 3.39Å; N87-A91 PolarHBondContact O-N 3.32Å; E88-A91 WeakPolarHBondContact O-CB 3.48Å; E88-A91 PolarHBondContact O-N 3.47Å; A91-H93 PolarHBondContact O-N 3.42Å; A91-D94 PolarHBondContact O-N 3.05Å; A91-Y95 HydrophobicContact CB-CD2 4.01Å; A91-Y95 HydrophobicContact CB-CE2 4.41Å; A91-Y95 WeakPolarHBondContact O-CB 3.49Å; A91-Y95 PolarHBondContact O-N 2.9Å |
| 92 | F | 84 | Confident | 71.3 | Confident | 111 Ų | 111 | 94.9 Ų | 94.9 | 49% | 0.487 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.6 | -40.3 | 174.6 | -86.3 | -78.3 | 0 | 0 | 0 | 112.7 | L72 E88 A89 K90 G96 | L72-F92 HydrophobicContact CD2-CB 3.92Å; L72-F92 HydrophobicContact CD2-CD2 4.46Å; L72-F92 HydrophobicContact CD2-CG 4.33Å; E88-F92 HydrophobicContact CG-CD2 4.04Å; E88-F92 HydrophobicContact CG-CE2 3.67Å; E88-F92 WeakPolarHBondContact O-CD2 3.41Å; E88-F92 PolarHBondContact O-N 3.23Å; A89-F92 PolarHBondContact O-N 3.49Å; K90-F92 VanDerWaalsContact C-N 3.3Å; K90-F92 PolarHBondContact O-N 2.76Å; F92-G96 CarbonylContact O-C 3.33Å; F92-G96 WeakPolarHBondContact O-CA 3.38Å; F92-G96 PolarHBondContact O-N 2.86Å |
| 93 | H | 84.2 | Confident | 69.7 | Low | 45 Ų | 45 | 93.2 Ų | 93.2 | 21% | 0.208 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -77.7 | -32.3 | 175.9 | -78.3 | -76.6 | 0 | 0 | 0 | 113.2 | L72 A75 A89 K90 A91 | L72-H93 PolarHBondContact O-NE2 3.47Å; A75-H93 PolarHBondContact O-CD2 2.89Å; A89-H93 PolarHBondContact O-CD2 3.47Å; A89-H93 PolarHBondContact O-N 3.44Å; K90-H93 PolarHBondContact O-N 3.45Å; A91-H93 PolarHBondContact O-N 3.42Å |
| 94 | D | 81.1 | Confident | 68.1 | Low | 66 Ų | 66 | 97.4 Ų | 97.4 | 35% | 0.353 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -77.8 | -37 | -178 | -71.5 | -4.1 | 0 | 0 | 0 | 113 | R80 K90 A91 | R80-D94 IonicContact CZ-OD1 3.19Å; R80-D94 IonicContact NH1-OD1 2.62Å; R80-D94 PolarHBondContact NH1-OD1 3.18Å; R80-D94 IonicContact NH1-OD2 2.66Å; R80-D94 IonicContact NH2-OD1 2.84Å; R80-D94 PolarHBondContact NH2-OD1 2.83Å; K90-D94 WeakPolarHBondContact CG-OD2 3.24Å; K90-D94 IonicContact NZ-OD2 3.65Å; K90-D94 PolarHBondContact NZ-OD2 2.71Å; K90-D94 WeakPolarHBondContact O-CB 3.39Å; K90-D94 VanDerWaalsContact O-CG 3.24Å; K90-D94 PolarHBondContact O-N 3.42Å; A91-D94 PolarHBondContact O-N 3.05Å |
| 95 | Y | 75.9 | Confident | 66.1 | Low | 201 Ų | 201 | 97.2 Ų | 97.2 | 79% | 0.788 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -117.4 | -20.5 | -175 | -56.8 | -63.6 | 0 | 0 | 0 | 113.5 | A91 | A91-Y95 HydrophobicContact CB-CD2 4.01Å; A91-Y95 HydrophobicContact CB-CE2 4.41Å; A91-Y95 WeakPolarHBondContact O-CB 3.49Å; A91-Y95 PolarHBondContact O-N 2.9Å |
| 96 | G | 63.8 | Low | 63.7 | Low | 18 Ų | 18 | 97.7 Ų | 97.7 | 19% | 0.186 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -103.2 | 94.8 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114 | F92 I98 | F92-G96 CarbonylContact O-C 3.33Å; F92-G96 WeakPolarHBondContact O-CA 3.38Å; F92-G96 PolarHBondContact O-N 2.86Å; G96-I98 WeakPolarHBondContact O-CG1 3.32Å; G96-I98 PolarHBondContact O-N 3.33Å |
| 97 | F | 55.6 | Low | 61.6 | Low | 160 Ų | 160 | 103.1 Ų | 103.1 | 70% | 0.702 | 56% | 0.561 | S | S | * | * | S | Bend | trans | 56.7 | -19.7 | 150.3 | -67.3 | -85.5 | 0 | 0 | 0 | 121.5 | N99 S100 | F97-N99 VanDerWaalsContact C-N 3.27Å; F97-N99 PolarHBondContact O-N 3.18Å; F97-S100 PolarHBondContact O-N 2.66Å; F97-S100 VanDerWaalsContact O-N 3.14Å |
| 98 | I | 53.8 | Low | 59.4 | Low | 134 Ų | 134 | 105.3 Ų | 105.3 | 69% | 0.687 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -77 | -18.9 | -177.9 | -47.7 | 174.8 | 0 | 0 | 0 | 111 | G96 | G96-I98 WeakPolarHBondContact O-CG1 3.32Å; G96-I98 PolarHBondContact O-N 3.33Å |
| 99 | N | 46.5 | Very low | 57.2 | Low | 102 Ų | 102 | 101.2 Ų | 101.2 | 55% | 0.545 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -99 | -5 | 168.4 | -148.2 | -17 | 0 | 0 | 0 | 113.2 | F97 G101 | F97-N99 VanDerWaalsContact C-N 3.27Å; F97-N99 PolarHBondContact O-N 3.18Å; N99-G101 PolarHBondContact O-N 2.62Å; N99-G101 VanDerWaalsContact O-N 3.17Å |
| 100 | S | 43.6 | Very low | 55.2 | Low | 79 Ų | 79 | 107.3 Ų | 107.3 | 55% | 0.552 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -87.1 | 80.4 | 168.2 | -76 | 0 | 0 | 0 | 0 | 109.7 | F97 Y102 | F97-S100 PolarHBondContact O-N 2.66Å; F97-S100 VanDerWaalsContact O-N 3.14Å; S100-Y102 PolarHBondContact O-N 3.27Å |
| 101 | G | 38.9 | Very low | 53.1 | Low | 66 Ų | 66 | 106.4 Ų | 106.4 | 68% | 0.68 | 61% | 0.614 | S | S | * | * | trans | 13.4 | 67.4 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | N99 A103 | N99-G101 PolarHBondContact O-N 2.62Å; N99-G101 VanDerWaalsContact O-N 3.17Å; G101-A103 PolarHBondContact O-N 2.68Å | ||
| 102 | Y | 40 | Very low | 51.1 | Low | 214 Ų | 214 | 109.5 Ų | 109.5 | 84% | 0.839 | 64% | 0.639 | S | S | * | * | trans | -67.1 | 80.8 | 137.3 | -77.5 | -79.3 | 0 | 0 | 0 | 105.8 | S100 V104 | S100-Y102 PolarHBondContact O-N 3.27Å; Y102-V104 PolarHBondContact O-N 3.48Å | ||
| 103 | A | 40 | Very low | 49.4 | Very low | 83 Ų | 83 | 108.1 Ų | 108.1 | 69% | 0.686 | 65% | 0.648 | S | S | * | * | trans | -64.9 | 74.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108 | G101 N105 | G101-A103 PolarHBondContact O-N 2.68Å; A103-N105 VanDerWaalsContact C-N 3.33Å; A103-N105 PolarHBondContact O-N 2.84Å | ||
| 104 | V | 41.4 | Very low | 47.5 | Very low | 128 Ų | 128 | 112 Ų | 112 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -78.2 | 98.4 | 145.8 | 74.2 | 0 | 0 | 0 | 0 | 104.1 | Y102 | Y102-V104 PolarHBondContact O-N 3.48Š|
| 105 | N | 38.6 | Very low | 45.8 | Very low | 143 Ų | 143 | 113.8 Ų | 113.8 | 77% | 0.765 | 70% | 0.695 | S | S | * | * | S | Bend | trans | 63.7 | 73.2 | 177.6 | -62.3 | -5.1 | 0 | 0 | 0 | 116.6 | A103 I107 | A103-N105 VanDerWaalsContact C-N 3.33Å; A103-N105 PolarHBondContact O-N 2.84Å; N105-I107 VanDerWaalsContact C-N 3.31Å; N105-I107 PolarHBondContact O-N 2.94Å |
| 106 | G | 33.8 | Very low | 44.2 | Very low | 66 Ų | 66 | 109.5 Ų | 109.5 | 68% | 0.68 | 69% | 0.692 | S | S | * | * | 52 | 15.2 | 127.8 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 107 | I | 42.9 | Very low | 43.4 | Very low | 154 Ų | 154 | 117.1 Ų | 117.1 | 79% | 0.79 | 73% | 0.727 | S | S | * | * | trans | -126.5 | 92.4 | -175.6 | -55 | -176.5 | 0 | 0 | 0 | 111.3 | N105 | N105-I107 VanDerWaalsContact C-N 3.31Å; N105-I107 PolarHBondContact O-N 2.94Å | ||
| 108 | H | 39.3 | Very low | 43 | Very low | 187 Ų | 187 | 114.1 Ų | 114.1 | 87% | 0.866 | 73% | 0.732 | S | S | * | * | trans | 23.2 | 105.2 | 144.6 | -68.8 | -113.3 | 0 | 0 | 0 | 118 | ||||
| 109 | G | 40.4 | Very low | 43.1 | Very low | 53 Ų | 53 | 115.7 Ų | 115.7 | 55% | 0.546 | 74% | 0.738 | S | S | . | * | trans | -118.5 | 138.8 | 153.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | G111 | G109-G111 PolarHBondContact O-N 3.29Å; G109-G111 VanDerWaalsContact O-N 3.09Å | ||
| 110 | P | 46 | Very low | 43.9 | Very low | 130 Ų | 130 | 115.6 Ų | 115.6 | 84% | 0.844 | 74% | 0.743 | S | S | * | * | trans | -77.4 | 102.8 | -171.9 | 30.3 | -30.5 | 0 | 0 | 0 | 110.3 | A112 | P110-A112 PolarHBondContact O-N 3.18Š| ||
| 111 | G | 40.6 | Very low | 44.5 | Very low | 59 Ų | 59 | 118 Ų | 118 | 61% | 0.608 | 76% | 0.757 | S | S | * | * | trans | -68.8 | 114.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | G109 A113 | G109-G111 PolarHBondContact O-N 3.29Å; G109-G111 VanDerWaalsContact O-N 3.09Å; G111-A113 PolarHBondContact O-N 3.09Å | ||
| 112 | A | 43.6 | Very low | 45.2 | Very low | 101 Ų | 101 | 124 Ų | 124 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -69.1 | 115.4 | 158.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | P110 | P110-A112 PolarHBondContact O-N 3.18Š| ||
| 113 | A | 47.6 | Very low | 45.7 | Very low | 81 Ų | 81 | 116.8 Ų | 116.8 | 67% | 0.669 | 76% | 0.758 | S | S | * | * | trans | -145.4 | 111.6 | 154.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | G111 S115 | G111-A113 PolarHBondContact O-N 3.09Å; A113-S115 PolarHBondContact O-N 3.18Å | ||
| 114 | P | 44.5 | Very low | 46.1 | Very low | 126 Ų | 126 | 118.8 Ų | 118.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -78.1 | 104.1 | 164.8 | 30 | -26.6 | 0 | 0 | 0 | 107.3 | P116 | P114-P116 WeakPolarHBondContact O-CD 3.5Š| ||
| 115 | S | 45.4 | Very low | 46.3 | Very low | 104 Ų | 104 | 120 Ų | 120 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -73.5 | 114.8 | 169.4 | -67.8 | 0 | 0 | 0 | 0 | 109.6 | A113 | A113-S115 PolarHBondContact O-N 3.18Š| ||
| 116 | P | 42.1 | Very low | 46.5 | Very low | 112 Ų | 112 | 119.8 Ų | 119.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -72.3 | 137.6 | 158.6 | 32.2 | -31.1 | 0 | 0 | 0 | 107.7 | P114 | P114-P116 WeakPolarHBondContact O-CD 3.5Š|
| 117 | L | 46.8 | Very low | 47.8 | Very low | 178 Ų | 178 | 124.6 Ų | 124.6 | 93% | 0.932 | 78% | 0.779 | S | S | * | * | trans | 79.4 | 75.8 | 175.4 | -55 | 152.4 | 0 | 0 | 0 | 115.9 | ||||
| 118 | A | 48.4 | Very low | 48 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 79% | 0.793 | 78% | 0.775 | S | S | * | * | trans | -151.6 | 124.2 | 146 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 119 | M | 54.1 | Low | 48.3 | Very low | 168 Ų | 168 | 119.5 Ų | 119.5 | 83% | 0.828 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 148.7 | -175.7 | -75.6 | -98.9 | 90.9 | 0 | 0 | 115.1 | ||
| 120 | P | 63.4 | Low | 48.4 | Very low | 100 Ų | 100 | 120.4 Ų | 120.4 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 136.3 | 164.5 | 29.1 | -29.9 | 0 | 0 | 0 | 109.6 | Q122 | P120-Q122 PolarHBondContact O-N 2.93Š|
| 121 | P | 57.1 | Low | 48.3 | Very low | 129 Ų | 129 | 120.6 Ų | 120.6 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 123.8 | 173.3 | -9 | 24.1 | 0 | 0 | 0 | 109.1 | G123 | P121-G123 PolarHBondContact O-N 2.78Š|
| 122 | Q | 53.8 | Low | 48.6 | Very low | 193 Ų | 193 | 123 Ų | 123 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 129.5 | 170.2 | -70.2 | 179.3 | -42.6 | 0 | 0 | 109.5 | P120 | P120-Q122 PolarHBondContact O-N 2.93Š|
| 123 | G | 50.7 | Low | 48.5 | Very low | 62 Ų | 62 | 121.3 Ų | 121.3 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 157 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P121 D125 | P121-G123 PolarHBondContact O-N 2.78Å; G123-D125 PolarHBondContact O-N 3.14Å |
| 124 | P | 47.9 | Very low | 48.6 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 81% | 0.805 | 81% | 0.808 | S | S | * | * | trans | -89.1 | 100.4 | -169.6 | 34 | -28.7 | 0 | 0 | 0 | 110.6 | ||||
| 125 | D | 45.8 | Very low | 48.6 | Very low | 154 Ų | 154 | 124 Ų | 124 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -137.6 | 82.2 | 163.6 | -73.9 | -54 | 0 | 0 | 0 | 109.1 | G123 | G123-D125 PolarHBondContact O-N 3.14Š| ||
| 126 | T | 41.8 | Very low | 49.1 | Very low | 139 Ų | 139 | 124.9 Ų | 124.9 | 85% | 0.853 | 81% | 0.809 | S | S | * | * | trans | -110.3 | 91 | 165.4 | 56.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 127 | L | 61 | Low | 49.5 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 87% | 0.869 | 81% | 0.808 | S | S | * | * | trans | -68.6 | 140.6 | 162.9 | -69.9 | 162.1 | 0 | 0 | 0 | 110 | ||||
| 128 | P | 48.2 | Very low | 49.6 | Very low | 107 Ų | 107 | 125 Ų | 125 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | trans | -105.6 | 145.1 | 168.7 | 35.1 | -25.8 | 0 | 0 | 0 | 112.4 | ||||
| 129 | S | 45 | Very low | 49.3 | Very low | 128 Ų | 128 | 122.8 Ų | 122.8 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | trans | 78.7 | 132.4 | 160.9 | -25.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 130 | G | 42.3 | Very low | 49.2 | Very low | 71 Ų | 71 | 123.2 Ų | 123.2 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | cis | 178.3 | 178 | 12.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 131 | P | 43.6 | Very low | 48.5 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -103.5 | 137 | -143.9 | 36.6 | -31.5 | 0 | 0 | 0 | 115.7 | ||||
| 132 | A | 47.3 | Very low | 48.2 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -177.6 | 134.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 133 | G | 42.6 | Very low | 47.7 | Very low | 65 Ų | 65 | 125.8 Ų | 125.8 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | cis | -179.9 | 157.5 | -0.2 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 134 | L | 49.4 | Very low | 47.5 | Very low | 187 Ų | 187 | 126.7 Ų | 126.7 | 98% | 0.979 | 80% | 0.799 | S | S | * | * | trans | 65.8 | 102.8 | 149.8 | -52.4 | 172.7 | 0 | 0 | 0 | 118.6 | ||||
| 135 | G | 43.5 | Very low | 47.7 | Very low | 76 Ų | 76 | 127.5 Ų | 127.5 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 137.3 | 108 | 139.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 136 | P | 56.2 | Low | 47.6 | Very low | 123 Ų | 123 | 126 Ų | 126 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | trans | -100.5 | -174.3 | 154.7 | 40.9 | -29.6 | 0 | 0 | 0 | 109.1 | ||||
| 137 | P | 50.4 | Low | 47.3 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -140.5 | 171.2 | 9 | 35.5 | -12.9 | 0 | 0 | 0 | 116.6 | ||||
| 138 | H | 48.4 | Very low | 46.6 | Very low | 183 Ų | 183 | 119.2 Ų | 119.2 | 85% | 0.847 | 78% | 0.783 | S | S | * | * | trans | 4.9 | 131.2 | 148.6 | -59.1 | -83.6 | 0 | 0 | 0 | 121 | ||||
| 139 | G | 42.6 | Very low | 46.4 | Very low | 49 Ų | 49 | 122.1 Ų | 122.1 | 51% | 0.505 | 79% | 0.787 | S | S | . | * | trans | -167.2 | 109.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 140 | F | 52.5 | Low | 46.6 | Very low | 178 Ų | 178 | 123.9 Ų | 123.9 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | 86.8 | 145 | 92.2 | 42.2 | -119 | 0 | 0 | 0 | 114.3 | |||||
| 141 | F | 48.5 | Very low | 46.3 | Very low | 174 Ų | 174 | 131.8 Ų | 131.8 | 76% | 0.763 | 79% | 0.793 | S | S | * | * | trans | 90.3 | 121.4 | -178.8 | -56.3 | -79.7 | 0 | 0 | 0 | 116.7 | ||||
| 142 | Q | 49.8 | Very low | 46.2 | Very low | 167 Ų | 167 | 130 Ų | 130 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | cis | -159.8 | 149.2 | -14 | -80.5 | -153.3 | -26.7 | 0 | 0 | 109.2 | ||||
| 143 | P | 43.3 | Very low | 45.9 | Very low | 134 Ų | 134 | 130.1 Ų | 130.1 | 87% | 0.87 | 78% | 0.776 | S | S | * | * | trans | -105.6 | 147.3 | 164.1 | 7.7 | 13.5 | 0 | 0 | 0 | 113.4 | ||||
| 144 | G | 47 | Very low | 45.8 | Very low | 81 Ų | 81 | 132.4 Ų | 132.4 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -154.7 | 101.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 145 | V | 51.8 | Low | 45.5 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -78.6 | -174.6 | 160.9 | -65.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 146 | P | 44.4 | Very low | 45.4 | Very low | 123 Ų | 123 | 137.1 Ų | 137.1 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | cis | -138.7 | 173.9 | 3.2 | 30.6 | -5.5 | 0 | 0 | 0 | 115.2 | ||||
| 147 | G | 36.4 | Very low | 44.6 | Very low | 71 Ų | 71 | 135 Ų | 135 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | -89.3 | -174.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 148 | S | 44.7 | Very low | 44.2 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | -174.8 | 107.1 | 164.3 | 38.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 149 | H | 43.9 | Very low | 43.8 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 78% | 0.778 | 78% | 0.781 | S | S | * | * | trans | 21.7 | 113.9 | 135.8 | 31.7 | -93.5 | 0 | 0 | 0 | 118.3 | ||||
| 150 | I | 49.2 | Very low | 43.9 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | trans | -163.2 | 128 | 132.9 | -64.1 | -155 | 0 | 0 | 0 | 109.3 | ||||
| 151 | R | 37.9 | Very low | 43.4 | Very low | 236 Ų | 236 | 141 Ų | 141 | 89% | 0.891 | 81% | 0.806 | S | S | * | * | trans | -102.3 | 135.4 | 158.4 | 159.7 | -177.7 | 169.5 | -170.7 | -2.3 | 106.4 | ||||
| 152 | P | 41.5 | Very low | 42.9 | Very low | 99 Ų | 99 | 138.4 Ų | 138.4 | 64% | 0.643 | 81% | 0.81 | S | S | * | * | -155.3 | 153.6 | 94.8 | 39.3 | -18.7 | 0 | 0 | 0 | 113.6 | |||||
| 153 | S | 39.7 | Very low | 42.5 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | 145 | 154.7 | 81.3 | -109 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 154 | P | 41.8 | Very low | 42.6 | Very low | 113 Ų | 113 | 138.2 Ų | 138.2 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | trans | -99.6 | 143.6 | 175.1 | 36.5 | -27.8 | 0 | 0 | 0 | 112.7 | ||||
| 155 | Q | 41.9 | Very low | 42.2 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | trans | 157.1 | 150.4 | 166.3 | -95 | 164.4 | 19.9 | 0 | 0 | 107.3 | ||||
| 156 | Q | 40.9 | Very low | 41.6 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | cis | -180 | 154.4 | -10.2 | -117.9 | -177.2 | -20 | 0 | 0 | 105.3 | ||||
| 157 | G | 40.2 | Very low | 41.5 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 115.5 | 120.1 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 158 | V | 42.6 | Very low | 41.7 | Very low | 147 Ų | 147 | 144.7 Ų | 144.7 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | cis | -150.6 | 148.1 | 37 | 73.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 159 | S | 38.8 | Very low | 41.4 | Very low | 109 Ų | 109 | 147.3 Ų | 147.3 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -67.3 | 135.7 | -172.5 | -48.2 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 160 | Q | 45.8 | Very low | 41.3 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 94% | 0.944 | 80% | 0.801 | S | S | * | * | trans | -152.3 | 116.2 | 140.3 | -107.7 | -172.4 | 81.2 | 0 | 0 | 109.7 | ||||
| 161 | Q | 41.7 | Very low | 40.6 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 87% | 0.874 | 80% | 0.804 | S | S | * | * | trans | -86.5 | 139.4 | 178.1 | -73.6 | 169.5 | -27.4 | 0 | 0 | 110.3 | ||||
| 162 | S | 37.8 | Very low | 41 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -162.2 | 144.9 | 150.2 | -83.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 163 | P | 41.7 | Very low | 41 | Very low | 102 Ų | 102 | 143.8 Ų | 143.8 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | trans | -126.1 | 100.6 | -134.3 | 35.2 | -17.3 | 0 | 0 | 0 | 113.4 | ||||
| 164 | H | 44.5 | Very low | 40.8 | Very low | 195 Ų | 195 | 143.2 Ų | 143.2 | 90% | 0.903 | 79% | 0.791 | S | S | * | * | trans | -142.6 | 64.4 | 165 | -67.1 | -71 | 0 | 0 | 0 | 111.6 | ||||
| 165 | A | 38.6 | Very low | 40.7 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | -135.8 | 67.4 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 166 | L | 39.1 | Very low | 40.7 | Very low | 165 Ų | 165 | 146.5 Ų | 146.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -168.7 | 60.5 | 171.5 | -100.3 | 163.7 | 0 | 0 | 0 | 110.6 | ||||
| 167 | L | 43.3 | Very low | 40.4 | Very low | 170 Ų | 170 | 148.8 Ų | 148.8 | 89% | 0.89 | 80% | 0.798 | S | S | * | * | trans | -136.9 | 70.9 | 146.4 | -151 | 90.5 | 0 | 0 | 0 | 105.3 | ||||
| 168 | N | 39.5 | Very low | 41.1 | Very low | 117 Ų | 117 | 150.9 Ų | 150.9 | 63% | 0.626 | 80% | 0.797 | S | S | * | * | 54.9 | 77.5 | 95.4 | -159.1 | 43.5 | 0 | 0 | 0 | 109 | |||||
| 169 | Q | 39.9 | Very low | 41.1 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | 89.3 | 112.2 | 104.4 | -91.9 | -158.8 | 91.8 | 0 | 0 | 112.3 | |||||
| 170 | Q | 41 | Very low | 41.5 | Very low | 138 Ų | 138 | 147.9 Ų | 147.9 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | trans | 53.6 | 82.4 | 132.9 | -65.3 | -160.8 | -14 | 0 | 0 | 116.8 | F172 | Q170-F172 HydrophobicContact CB-CD2 3.94Å; Q170-F172 HydrophobicContact CG-CD2 3.82Å; Q170-F172 HydrophobicContact CG-CE2 4.34Å; Q170-F172 PolarHBondContact O-N 3.4Å; Q170-F172 VanDerWaalsContact O-N 3.08Å | ||
| 171 | N | 34.9 | Very low | 41.3 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -70.7 | 85 | 138.9 | -82.5 | -37.4 | 0 | 0 | 0 | 108.3 | ||||
| 172 | F | 45.1 | Very low | 41.5 | Very low | 144 Ų | 144 | 138.9 Ų | 138.9 | 63% | 0.632 | 78% | 0.781 | S | S | * | * | trans | -124.5 | 112.5 | 163.6 | -83.1 | -84.4 | 0 | 0 | 0 | 108.8 | Q170 | Q170-F172 HydrophobicContact CB-CD2 3.94Å; Q170-F172 HydrophobicContact CG-CD2 3.82Å; Q170-F172 HydrophobicContact CG-CE2 4.34Å; Q170-F172 PolarHBondContact O-N 3.4Å; Q170-F172 VanDerWaalsContact O-N 3.08Å | ||
| 173 | I | 42.7 | Very low | 42 | Very low | 139 Ų | 139 | 138.5 Ų | 138.5 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | 65.8 | 109.4 | 130.9 | -63.6 | 174.9 | 0 | 0 | 0 | 117.1 | ||||
| 174 | S | 34.4 | Very low | 42.4 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | 69.5 | 118 | 138.1 | -61 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 175 | T | 40.8 | Very low | 42.3 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | 40.5 | 97.9 | 121.5 | -39 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 176 | R | 40.8 | Very low | 42.3 | Very low | 237 Ų | 237 | 141.1 Ų | 141.1 | 89% | 0.894 | 79% | 0.786 | S | S | * | * | trans | -179.5 | 126.7 | 130.3 | -101.8 | 177.7 | -105.7 | -135.5 | 6.8 | 111.8 | ||||
| 177 | Y | 35.5 | Very low | 42.5 | Very low | 227 Ų | 227 | 139.8 Ų | 139.8 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -55 | 149.1 | 164.5 | -77.1 | -100 | 0 | 0 | 0 | 111.4 | ||||
| 178 | P | 54.1 | Low | 42.4 | Very low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 78% | 0.779 | S | S | * | * | trans | -122.8 | 117.3 | 140.8 | 28.4 | -13.7 | 0 | 0 | 0 | 110.7 | ||||
| 179 | S | 42.2 | Very low | 42.8 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | -54.6 | 136.3 | 163.9 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 180 | G | 47.4 | Very low | 42.8 | Very low | 72 Ų | 72 | 141.7 Ų | 141.7 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | trans | -126.6 | 130.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 181 | P | 42.5 | Very low | 43 | Very low | 135 Ų | 135 | 143.6 Ų | 143.6 | 88% | 0.877 | 82% | 0.816 | S | S | * | * | trans | -93.3 | 145.2 | -174.6 | 35.9 | -30.8 | 0 | 0 | 0 | 111.5 | ||||
| 182 | G | 45 | Very low | 43.5 | Very low | 65 Ų | 65 | 140.1 Ų | 140.1 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | trans | 173.8 | 70.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 183 | S | 49.5 | Very low | 43.1 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | 46.2 | 103.9 | 134.3 | 50.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 184 | R | 49.3 | Very low | 43.1 | Very low | 245 Ų | 245 | 143.7 Ų | 143.7 | 93% | 0.925 | 83% | 0.826 | S | S | * | * | 131.9 | 131.2 | 120.5 | -77.7 | 175.3 | 100.8 | -164.9 | 5.2 | 114.8 | |||||
| 185 | P | 42.8 | Very low | 43.9 | Very low | 132 Ų | 132 | 144 Ų | 144 | 86% | 0.857 | 83% | 0.826 | S | S | * | * | trans | -99.8 | 153.4 | 179.7 | 37.5 | -30.8 | 0 | 0 | 0 | 113.1 | ||||
| 186 | G | 39.2 | Very low | 44.3 | Very low | 74 Ų | 74 | 147 Ų | 147 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | trans | -175.2 | 124.1 | 168 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 187 | P | 42.2 | Very low | 45.3 | Very low | 137 Ų | 137 | 141 Ų | 141 | 89% | 0.89 | 82% | 0.823 | S | S | * | * | trans | -100.7 | 151.3 | -177.2 | 37 | -29.5 | 0 | 0 | 0 | 112.4 | ||||
| 188 | G | 41.7 | Very low | 45.8 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | 154.4 | 140.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 189 | L | 46.8 | Very low | 45.4 | Very low | 184 Ų | 184 | 138.7 Ų | 138.7 | 96% | 0.963 | 82% | 0.816 | S | S | * | * | trans | 111.8 | 112.8 | 154.5 | -52.6 | -175.8 | 0 | 0 | 0 | 117 | ||||
| 190 | R | 41.3 | Very low | 45.4 | Very low | 222 Ų | 222 | 139.4 Ų | 139.4 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | trans | -68.7 | 147.8 | -179.4 | -67.9 | 179.3 | 146 | -160.3 | -7 | 114.2 | ||||
| 191 | L | 45.4 | Very low | 44.9 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 93% | 0.932 | 82% | 0.82 | S | S | * | * | trans | -179.2 | 133.3 | 140.2 | -128.8 | 77.1 | 0 | 0 | 0 | 104.7 | ||||
| 192 | A | 44.2 | Very low | 44.9 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 83% | 0.826 | 82% | 0.821 | S | S | * | * | cis | -151.1 | 150.2 | 19.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 193 | Q | 36.4 | Very low | 44.6 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 81% | 0.808 | 82% | 0.824 | S | S | * | * | trans | -114.4 | 126 | -174.4 | 179 | 168.3 | 5.6 | 0 | 0 | 107.9 | ||||
| 194 | E | 42.5 | Very low | 44.3 | Very low | 186 Ų | 186 | 143.4 Ų | 143.4 | 87% | 0.869 | 83% | 0.828 | S | S | * | * | trans | -136.4 | 151.3 | 168.3 | -119.9 | -143.9 | 50 | 0 | 0 | 108.9 | ||||
| 195 | P | 51.8 | Low | 44.2 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 70% | 0.695 | 82% | 0.817 | S | S | * | * | -104.8 | 138.8 | -129.5 | 1.8 | 21.6 | 0 | 0 | 0 | 113.6 | |||||
| 196 | Q | 50.5 | Low | 44.4 | Very low | 189 Ų | 189 | 138.9 Ų | 138.9 | 88% | 0.883 | 81% | 0.814 | S | S | * | * | trans | -87.9 | 141.7 | 165.1 | -83 | -109.6 | -50.2 | 0 | 0 | 111.1 | ||||
| 197 | P | 61.6 | Low | 44.5 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 72% | 0.721 | 81% | 0.813 | S | S | * | * | trans | -81.6 | 154.2 | 169.7 | 32.8 | -31 | 0 | 0 | 0 | 111.9 | ||||
| 198 | P | 46.1 | Very low | 44.8 | Very low | 108 Ų | 108 | 142.6 Ų | 142.6 | 70% | 0.701 | 81% | 0.812 | S | S | * | * | trans | -108.3 | 172.6 | -156.5 | 43.3 | -35.7 | 0 | 0 | 0 | 114.4 | ||||
| 199 | F | 45 | Very low | 45.5 | Very low | 193 Ų | 193 | 148.6 Ų | 148.6 | 85% | 0.846 | 82% | 0.818 | S | S | * | * | trans | 74.1 | 127.3 | 166.4 | -85.1 | -97.8 | 0 | 0 | 0 | 115.3 | ||||
| 200 | V | 42.7 | Very low | 45.4 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | cis | -155.7 | 134.6 | 38.5 | -97.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 201 | A | 37.3 | Very low | 45.5 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -119.5 | 126.8 | 163.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 202 | A | 40.7 | Very low | 45.3 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | 151.8 | 136.1 | 145.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 203 | G | 39.9 | Very low | 45.5 | Very low | 71 Ų | 71 | 143.3 Ų | 143.3 | 73% | 0.732 | 80% | 0.795 | S | S | * | * | trans | 105.2 | 85.4 | 161 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 204 | Q | 42.9 | Very low | 45.9 | Very low | 186 Ų | 186 | 146.6 Ų | 146.6 | 87% | 0.869 | 80% | 0.8 | S | S | * | * | 89.8 | 104.1 | 95.5 | -82.7 | -154 | -22.1 | 0 | 0 | 114.5 | |||||
| 205 | V | 47.2 | Very low | 46 | Very low | 113 Ų | 113 | 143.7 Ų | 143.7 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | trans | 40.6 | 110.1 | 133 | -133.3 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 206 | Q | 47.2 | Very low | 45.8 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | 167 | 138 | 113.9 | -90.2 | 162.6 | 94.2 | 0 | 0 | 112.3 | |||||
| 207 | P | 41.5 | Very low | 45.4 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | trans | -96.2 | 126.2 | 160.9 | 33.8 | -22.9 | 0 | 0 | 0 | 109.5 | ||||
| 208 | M | 47.3 | Very low | 45 | Very low | 174 Ų | 174 | 137.2 Ų | 137.2 | 86% | 0.857 | 80% | 0.799 | S | S | * | * | trans | -141.5 | 149.6 | 168.2 | -96.3 | -157.1 | 157.4 | 0 | 0 | 113.5 | ||||
| 209 | F | 56.4 | Low | 45.2 | Very low | 194 Ų | 194 | 141.2 Ų | 141.2 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | trans | -78.1 | 172 | -155.9 | -75.8 | -99.1 | 0 | 0 | 0 | 116.1 | ||||
| 210 | P | 45.5 | Very low | 45.3 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -93.8 | 134.8 | 178.6 | 35.7 | -27.6 | 0 | 0 | 0 | 112.6 | ||||
| 211 | D | 42.4 | Very low | 45.8 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -153.3 | 107.5 | 170 | -139.6 | -104 | 0 | 0 | 0 | 107.2 | ||||
| 212 | Q | 42.8 | Very low | 46.6 | Very low | 156 Ų | 156 | 144.3 Ų | 144.3 | 73% | 0.729 | 80% | 0.803 | S | S | * | * | 74.6 | 137.8 | 96.3 | -74.1 | -97.1 | 4.4 | 0 | 0 | 115.1 | |||||
| 213 | L | 47.1 | Very low | 47 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | 89.3 | 91.5 | 162.2 | -47.6 | 176.4 | 0 | 0 | 0 | 119.6 | ||||
| 214 | R | 46.3 | Very low | 47.4 | Very low | 243 Ų | 243 | 147.5 Ų | 147.5 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | -155.3 | 127.3 | 122.3 | -146.3 | 160.9 | 91.7 | 100.6 | -4.1 | 113.6 | |||||
| 215 | P | 43.4 | Very low | 47.8 | Very low | 125 Ų | 125 | 147.3 Ų | 147.3 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -103.5 | 155.7 | -176.1 | 37.4 | -31.4 | 0 | 0 | 0 | 114.2 | ||||
| 216 | G | 47.8 | Very low | 48.1 | Very low | 82 Ų | 82 | 148.9 Ų | 148.9 | 85% | 0.845 | 78% | 0.781 | S | S | * | * | trans | 142.1 | 104.7 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 217 | G | 43.2 | Very low | 48.3 | Very low | 70 Ų | 70 | 146.6 Ų | 146.6 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -99.6 | -149.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 218 | P | 51.9 | Low | 48.6 | Very low | 118 Ų | 118 | 146.2 Ų | 146.2 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | cis | -136.5 | 150.1 | -29.6 | 37.4 | -21.4 | 0 | 0 | 0 | 113.1 | ||||
| 219 | H | 50.6 | Low | 48.4 | Very low | 192 Ų | 192 | 141.5 Ų | 141.5 | 89% | 0.889 | 78% | 0.783 | S | S | * | * | trans | -139 | 131.4 | 165.1 | -32.5 | -50 | 0 | 0 | 0 | 112.4 | ||||
| 220 | M | 48.3 | Very low | 48.1 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 91% | 0.906 | 78% | 0.782 | S | S | * | * | trans | -80.8 | 179.7 | -173.4 | -61 | 178.4 | -169.1 | 0 | 0 | 113.9 | ||||
| 221 | M | 52.4 | Low | 48.1 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 80% | 0.803 | 79% | 0.785 | S | S | * | * | trans | 104.2 | 122.6 | 154.6 | -135.1 | 67.3 | 159.2 | 0 | 0 | 113.8 | ||||
| 222 | Q | 53 | Low | 48.3 | Very low | 148 Ų | 148 | 135.4 Ų | 135.4 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | cis | -174 | 149.1 | -6.2 | -177.3 | -179.4 | 94.9 | 0 | 0 | 106.7 | ||||
| 223 | P | 51 | Low | 48.4 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -103.8 | 139.5 | 177.9 | 35.9 | -26.5 | 0 | 0 | 0 | 111.9 | ||||
| 224 | Q | 48.1 | Very low | 48.4 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 65% | 0.654 | 78% | 0.783 | S | S | * | * | trans | -171.9 | 130.1 | 156.2 | -101.3 | -28.8 | 27.5 | 0 | 0 | 114.7 | ||||
| 225 | R | 49.8 | Very low | 48.3 | Very low | 182 Ų | 182 | 128.5 Ų | 128.5 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | trans | 78.7 | 137.5 | 133.9 | -63.6 | -173.4 | 172.7 | -144.1 | 1.5 | 118.3 | ||||
| 226 | H | 55.2 | Low | 48.3 | Very low | 146 Ų | 146 | 132.8 Ų | 132.8 | 68% | 0.676 | 78% | 0.776 | S | S | * | * | cis | -169.8 | 165.8 | 0.4 | -98 | -41.3 | 0 | 0 | 0 | 108.3 | ||||
| 227 | P | 50.3 | Low | 47.9 | Very low | 121 Ų | 121 | 135 Ų | 135 | 79% | 0.786 | 77% | 0.767 | S | S | * | * | trans | -104.6 | 163.2 | -170.3 | 39.4 | -31.3 | 0 | 0 | 0 | 114.6 | ||||
| 228 | A | 47 | Very low | 47.8 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 88% | 0.884 | 77% | 0.768 | S | S | * | * | trans | -164.4 | 135.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 229 | G | 44.8 | Very low | 47.3 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | -99.2 | -136.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 230 | P | 49.6 | Very low | 47.2 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | -119.3 | -149 | -123.1 | 40.8 | -24.5 | 0 | 0 | 0 | 112.6 | |||||
| 231 | P | 45.2 | Very low | 47.1 | Very low | 126 Ų | 126 | 132.9 Ų | 132.9 | 82% | 0.818 | 76% | 0.762 | S | S | * | * | cis | -116.3 | 171.2 | -48.3 | 29.9 | -11.3 | 0 | 0 | 0 | 112.1 | ||||
| 232 | G | 46.2 | Very low | 46.5 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | -158.2 | 125.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 233 | T | 44.5 | Very low | 46.2 | Very low | 117 Ų | 117 | 133.4 Ų | 133.4 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | trans | -81 | 170.4 | -169.8 | 35 | 0 | 0 | 0 | 0 | 115 | ||||
| 234 | H | 48.7 | Very low | 45.6 | Very low | 164 Ų | 164 | 134.7 Ų | 134.7 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 113.4 | 88.7 | 152.7 | -54.9 | -71.2 | 0 | 0 | 0 | 118.5 | ||||
| 235 | T | 43.8 | Very low | 45.2 | Very low | 125 Ų | 125 | 138 Ų | 138 | 77% | 0.767 | 79% | 0.789 | S | S | * | * | 39.4 | 123.6 | 118.7 | -22.8 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 236 | R | 42.6 | Very low | 44.8 | Very low | 216 Ų | 216 | 133.8 Ų | 133.8 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | 122.1 | 137.8 | 119 | -133.9 | -160.9 | 172.8 | -132.6 | -3.2 | 117.2 | |||||
| 237 | L | 40.3 | Very low | 44.2 | Very low | 128 Ų | 128 | 132.5 Ų | 132.5 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | 84.9 | 104.9 | 166.1 | -98 | 70.6 | 0 | 0 | 0 | 117 | ||||
| 238 | A | 41.7 | Very low | 43.8 | Very low | 88 Ų | 88 | 133.4 Ų | 133.4 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | 73.6 | 135.8 | 78.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 239 | T | 41.4 | Very low | 43.5 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 76% | 0.761 | 79% | 0.789 | S | S | * | * | cis | -170.3 | 164.1 | 5.6 | -87.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 240 | M | 46.8 | Very low | 44 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | trans | 122.2 | 129.2 | 157.4 | -69.5 | 174.1 | 172.4 | 0 | 0 | 112.6 | ||||
| 241 | T | 47.8 | Very low | 43.6 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | cis | -165.4 | 128.6 | -11.2 | 39.1 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 242 | Q | 39.5 | Very low | 43.7 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 94% | 0.935 | 79% | 0.788 | S | S | * | * | trans | -110.1 | 130.7 | 167.4 | -94.1 | -168.6 | 54.6 | 0 | 0 | 109.5 | ||||
| 243 | S | 45.7 | Very low | 43.5 | Very low | 122 Ų | 122 | 145.2 Ų | 145.2 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -93.3 | 130.5 | 179.3 | 31.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 244 | N | 38.2 | Very low | 43.2 | Very low | 136 Ų | 136 | 147 Ų | 147 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | -70.4 | 155 | -180 | -76 | -43.9 | 0 | 0 | 0 | 115 | ||||
| 245 | F | 40.7 | Very low | 42.9 | Very low | 209 Ų | 209 | 144.4 Ų | 144.4 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | -141.7 | 96.1 | 128.3 | -91.3 | -85.1 | 0 | 0 | 0 | 106.8 | |||||
| 246 | S | 40.9 | Very low | 42.5 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 65% | 0.65 | 78% | 0.783 | S | S | * | * | 66.4 | 113.5 | 91.8 | -67.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 247 | S | 42.4 | Very low | 42.5 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | -175.2 | 152.5 | 61.8 | -69.5 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 248 | N | 42.5 | Very low | 42.6 | Very low | 141 Ų | 141 | 138.2 Ų | 138.2 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | cis | -170.8 | 103.5 | -7.1 | -179.8 | 18.1 | 0 | 0 | 0 | 104.5 | ||||
| 249 | I | 41.1 | Very low | 42.6 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 80% | 0.795 | 80% | 0.801 | S | S | * | * | trans | -92.8 | 132.1 | 168.7 | -63.8 | 172.5 | 0 | 0 | 0 | 106.5 | ||||
| 250 | R | 53.6 | Low | 42.3 | Very low | 214 Ų | 214 | 137.7 Ų | 137.7 | 81% | 0.808 | 80% | 0.798 | S | S | * | * | trans | -128.9 | 121 | 151.1 | -77.1 | -168 | 157.2 | -137.1 | -4.3 | 110.3 | ||||
| 251 | P | 42.7 | Very low | 42.4 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 80% | 0.801 | S | S | * | * | trans | -81.8 | 137.8 | 166.9 | 34.1 | -26.7 | 0 | 0 | 0 | 107.7 | ||||
| 252 | M | 45.7 | Very low | 42.3 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 85% | 0.847 | 80% | 0.796 | S | S | * | * | trans | -127.8 | 107.1 | 169.4 | -150.2 | 176.7 | -76.2 | 0 | 0 | 110.4 | ||||
| 253 | S | 42.2 | Very low | 42.4 | Very low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -44.7 | 137.8 | 165.8 | 35.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 254 | N | 38.8 | Very low | 42.2 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | trans | -60.5 | 139.5 | 169.7 | -168.2 | 55.8 | 0 | 0 | 0 | 112.2 | ||||
| 255 | P | 43.4 | Very low | 42.1 | Very low | 109 Ų | 109 | 130.9 Ų | 130.9 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -130.8 | 129.9 | 146.6 | 32 | -16 | 0 | 0 | 0 | 112.2 | ||||
| 256 | A | 34.7 | Very low | 42 | Very low | 79 Ų | 79 | 124.1 Ų | 124.1 | 65% | 0.653 | 79% | 0.786 | S | S | * | * | trans | 48.8 | 115.4 | 138.1 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 257 | L | 42.1 | Very low | 41.9 | Very low | 185 Ų | 185 | 129.2 Ų | 129.2 | 97% | 0.969 | 80% | 0.802 | S | S | * | * | 151.7 | 121.3 | 124.7 | -81.2 | 155.9 | 0 | 0 | 0 | 110.8 | |||||
| 258 | G | 42.9 | Very low | 41.8 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 80% | 0.803 | S | S | * | * | trans | 144.9 | 104.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 259 | P | 41.6 | Very low | 41.4 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | trans | -92.4 | 141.6 | -177.3 | 34.9 | -29.1 | 0 | 0 | 0 | 112.5 | ||||
| 260 | G | 34.5 | Very low | 41.2 | Very low | 68 Ų | 68 | 135.1 Ų | 135.1 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | 101.2 | 112.4 | 152.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 261 | L | 48.9 | Very low | 40.2 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | 174.3 | 150.7 | 108 | -86 | 154.2 | 0 | 0 | 0 | 110.7 | |||||
| 262 | P | 46.5 | Very low | 39.7 | Very low | 109 Ų | 109 | 138.5 Ų | 138.5 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | trans | -99.7 | -176.1 | -156.3 | 43.9 | -36.8 | 0 | 0 | 0 | 113 | ||||
| 263 | P | 41.3 | Very low | 39.3 | Very low | 130 Ų | 130 | 135.9 Ų | 135.9 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | trans | -82.7 | 134.4 | -139.9 | 36.1 | -37.7 | 0 | 0 | 0 | 113.6 | ||||
| 264 | G | 41.2 | Very low | 39 | Very low | 73 Ų | 73 | 135.6 Ų | 135.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | trans | -135.2 | 106.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | G266 | G264-G266 PolarHBondContact O-N 2.84Š| ||
| 265 | S | 36.5 | Very low | 39.1 | Very low | 135 Ų | 135 | 133.3 Ų | 133.3 | 94% | 0.944 | 80% | 0.795 | S | S | * | * | trans | -57.2 | 99.5 | -179 | -34.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 266 | G | 38.1 | Very low | 38.7 | Very low | 66 Ų | 66 | 131.8 Ų | 131.8 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -131.5 | 80.6 | 172.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G264 Q268 | G264-G266 PolarHBondContact O-N 2.84Å; G266-Q268 PolarHBondContact O-N 2.84Å | ||
| 267 | M | 39.6 | Very low | 39 | Very low | 200 Ų | 200 | 132.9 Ų | 132.9 | 99% | 0.985 | 79% | 0.79 | S | S | * | * | trans | -69.9 | 75.2 | 173.4 | -125.4 | 109.4 | 166.5 | 0 | 0 | 108.7 | R269 | M267-R269 PolarHBondContact O-N 2.9Š| ||
| 268 | Q | 40.3 | Very low | 39.1 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -75 | 118.3 | 172 | -158.6 | 171.4 | -86.5 | 0 | 0 | 107.8 | G266 T270 | G266-Q268 PolarHBondContact O-N 2.84Å; Q268-T270 PolarHBondContact O-N 3.09Å | ||
| 269 | R | 34.3 | Very low | 39.2 | Very low | 230 Ų | 230 | 136.4 Ų | 136.4 | 87% | 0.868 | 77% | 0.774 | S | S | * | * | trans | -47.4 | 104.8 | -176.4 | -70.5 | -179.5 | -94.4 | -104.6 | 2.8 | 113.2 | M267 W271 | M267-R269 PolarHBondContact O-N 2.9Å; R269-W271 PolarHBondContact O-N 3.37Å | ||
| 270 | T | 36.3 | Very low | 39.3 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | trans | -94.1 | 80 | 160.3 | -71.8 | 0 | 0 | 0 | 0 | 108.7 | Q268 | Q268-T270 PolarHBondContact O-N 3.09Š| ||
| 271 | W | 33.2 | Very low | 40.2 | Very low | 246 Ų | 246 | 135.6 Ų | 135.6 | 93% | 0.932 | 75% | 0.746 | S | S | * | * | trans | -122.8 | 14.5 | 161.7 | -82.2 | 108.2 | 0 | 0 | 0 | 111.8 | R269 | R269-W271 PolarHBondContact O-N 3.37Š| ||
| 272 | Q | 32 | Very low | 40.2 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | trans | -98.7 | 154.1 | 171.7 | -60.3 | -152.3 | 7.8 | 0 | 0 | 109.4 | ||||
| 273 | T | 36.8 | Very low | 40.2 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 85.9 | 64.2 | 170.4 | 86.9 | 0 | 0 | 0 | 0 | 116.9 | ||
| 274 | S | 35.3 | Very low | 40.7 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -168.3 | -27.3 | 145 | -84.2 | 0 | 0 | 0 | 0 | 113.4 | S277 | S274-S277 PolarHBondContact O-OG 3.39Š|
| 275 | V | 41 | Very low | 41.1 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 65% | 0.648 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -95.9 | -33.6 | -179.5 | -139.4 | 0 | 0 | 0 | 0 | 112.2 | S277 R278 L279 | V275-S277 PolarHBondContact O-N 2.84Å; V275-R278 PolarHBondContact O-N 3.06Å; V275-L279 HydrophobicContact CG1-CD1 4.32Å; V275-L279 PolarHBondContact O-N 3.46Å |
| 276 | S | 36.6 | Very low | 41.6 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 55% | 0.545 | 70% | 0.699 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -68.5 | -14.1 | 178.4 | -56.1 | 0 | 0 | 0 | 0 | 115 | L279 | S276-L279 VanDerWaalsContact O-O 3.04Š|
| 277 | S | 39.2 | Very low | 42 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -16.8 | 176.9 | 38 | 0 | 0 | 0 | 0 | 113.1 | S274 V275 | S274-S277 PolarHBondContact O-OG 3.39Å; V275-S277 PolarHBondContact O-N 2.84Å |
| 278 | R | 45.2 | Very low | 42.3 | Very low | 235 Ų | 235 | 130.1 Ų | 130.1 | 89% | 0.887 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -22.9 | 174.9 | -77.2 | -166.7 | 175.1 | -149.4 | 0.4 | 113.7 | V275 | V275-R278 PolarHBondContact O-N 3.06Š|
| 279 | L | 45.3 | Very low | 42.6 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 52% | 0.518 | 65% | 0.645 | S | S | . | * | S | Bend | trans | -108.6 | 102.4 | 171.7 | -62.6 | 164 | 0 | 0 | 0 | 106.1 | V275 S276 I281 | V275-L279 HydrophobicContact CG1-CD1 4.32Å; V275-L279 PolarHBondContact O-N 3.46Å; S276-L279 VanDerWaalsContact O-O 3.04Å; L279-I281 HydrophobicContact CB-CD1 3.84Å; L279-I281 HydrophobicContact CB-CG1 3.62Å; L279-I281 HydrophobicContact CD1-CD1 4.43Å; L279-I281 WeakPolarHBondContact O-CG1 3Å; L279-I281 PolarHBondContact O-N 2.87Å |
| 280 | N | 42.7 | Very low | 43.3 | Very low | 98 Ų | 98 | 117.2 Ų | 117.2 | 52% | 0.524 | 62% | 0.617 | S | S | . | * | trans | -70 | 67.9 | 169.7 | -172.9 | -3.3 | 0 | 0 | 0 | 108.6 | Q282 N283 | N280-Q282 PolarHBondContact O-N 2.93Å; N280-N283 PolarHBondContact ND2-ND2 2.75Å; N280-N283 PolarHBondContact O-N 3.4Å | ||
| 281 | I | 54 | Low | 43.9 | Very low | 86 Ų | 86 | 115.9 Ų | 115.9 | 44% | 0.441 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -61.9 | -24.4 | -176.4 | -66.3 | 160.6 | 0 | 0 | 0 | 109.9 | L279 N283 L284 A287 | L279-I281 HydrophobicContact CB-CD1 3.84Å; L279-I281 HydrophobicContact CB-CG1 3.62Å; L279-I281 HydrophobicContact CD1-CD1 4.43Å; L279-I281 WeakPolarHBondContact O-CG1 3Å; L279-I281 PolarHBondContact O-N 2.87Å; I281-N283 PolarHBondContact O-N 3.17Å; I281-L284 PolarHBondContact O-N 3.38Å; I281-A287 HydrophobicContact CG2-CB 4.21Å; I281-A287 WeakPolarHBondContact O-CB 3.43Å |
| 282 | Q | 49.6 | Very low | 44.5 | Very low | 188 Ų | 188 | 110 Ų | 110 | 88% | 0.879 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -69.6 | -13.9 | 175.4 | -63.6 | -175.7 | 6.2 | 0 | 0 | 113.9 | N280 | N280-Q282 PolarHBondContact O-N 2.93Š|
| 283 | N | 46.4 | Very low | 45 | Very low | 124 Ų | 124 | 105 Ų | 105 | 66% | 0.663 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -101.2 | 0.7 | -180 | -110.4 | -88 | 0 | 0 | 0 | 114.6 | N280 I281 P285 | N280-N283 PolarHBondContact ND2-ND2 2.75Å; N280-N283 PolarHBondContact O-N 3.4Å; I281-N283 PolarHBondContact O-N 3.17Å; N283-P285 WeakPolarHBondContact O-CD 3.5Å |
| 284 | L | 50.4 | Low | 45.5 | Very low | 61 Ų | 61 | 104.5 Ų | 104.5 | 32% | 0.319 | 58% | 0.575 | S | S | . | * | trans | -78.4 | 124.3 | 173.8 | -80.9 | 92.9 | 0 | 0 | 0 | 109 | I34 I281 Y286 A287 | I34-L284 HydrophobicContact CB-CD2 4.43Å; I34-L284 WeakPolarHBondContact O-CD2 3.46Å; I281-L284 PolarHBondContact O-N 3.38Å; L284-Y286 PolarHBondContact O-N 2.8Å; L284-A287 HydrophobicContact CB-CB 3.87Å; L284-A287 PolarHBondContact O-N 3.28Å | ||
| 285 | P | 50.9 | Low | 46 | Very low | 111 Ų | 111 | 104.7 Ų | 104.7 | 72% | 0.721 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -13 | 177.7 | 23.1 | -32.1 | 0 | 0 | 0 | 113.2 | N283 | N283-P285 WeakPolarHBondContact O-CD 3.5Š|
| 286 | Y | 46.9 | Very low | 46.3 | Very low | 152 Ų | 152 | 104.6 Ų | 104.6 | 60% | 0.596 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -13 | 175.7 | -76.2 | -87.3 | 0 | 0 | 0 | 114.4 | L284 T288 S289 Y290 | L284-Y286 PolarHBondContact O-N 2.8Å; Y286-T288 VanDerWaalsContact C-N 3.3Å; Y286-T288 PolarHBondContact O-N 3.34Å; Y286-S289 WeakPolarHBondContact O-CB 3.2Å; Y286-S289 PolarHBondContact O-N 3.02Å; Y286-Y290 WeakPolarHBondContact O-CD2 3.34Å |
| 287 | A | 45.6 | Very low | 46.8 | Very low | 32 Ų | 32 | 106.2 Ų | 106.2 | 26% | 0.264 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | -31.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | I281 L284 S289 | I281-A287 HydrophobicContact CG2-CB 4.21Å; I281-A287 WeakPolarHBondContact O-CB 3.43Å; L284-A287 HydrophobicContact CB-CB 3.87Å; L284-A287 PolarHBondContact O-N 3.28Å; A287-S289 VanDerWaalsContact C-N 3.31Å |
| 288 | T | 47 | Very low | 47.3 | Very low | 105 Ų | 105 | 106.5 Ų | 106.5 | 64% | 0.644 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -72.4 | -23.7 | 171.6 | 31.6 | 0 | 0 | 0 | 0 | 112.9 | Y286 Y290 S291 | Y286-T288 VanDerWaalsContact C-N 3.3Å; Y286-T288 PolarHBondContact O-N 3.34Å; T288-Y290 VanDerWaalsContact C-N 3.25Å; T288-Y290 PolarHBondContact O-N 3.09Å; T288-S291 PolarHBondContact O-N 2.77Å |
| 289 | S | 46.2 | Very low | 47.5 | Very low | 71 Ų | 71 | 97.9 Ų | 97.9 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -72.3 | -19.4 | -179.3 | -162.4 | 0 | 0 | 0 | 0 | 113.1 | Y286 A287 | Y286-S289 WeakPolarHBondContact O-CB 3.2Å; Y286-S289 PolarHBondContact O-N 3.02Å; A287-S289 VanDerWaalsContact C-N 3.31Å |
| 290 | Y | 49.3 | Very low | 47.6 | Very low | 72 Ų | 72 | 97.9 Ų | 97.9 | 28% | 0.282 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -97.3 | -10.9 | 178.6 | -67.7 | -76.6 | 0 | 0 | 0 | 114.1 | C63 Y286 T288 N292 | C63-Y290 WeakPolarHBondContact SG-CE1 3.16Å; C63-Y290 VanDerWaalsContact SG-CZ 3.57Å; C63-Y290 PolarHBondContact SG-OH 3.33Å; Y286-Y290 WeakPolarHBondContact O-CD2 3.34Å; T288-Y290 VanDerWaalsContact C-N 3.25Å; T288-Y290 PolarHBondContact O-N 3.09Å; Y290-N292 PolarHBondContact O-N 3.46Å |
| 291 | S | 47.9 | Very low | 48 | Very low | 97 Ų | 97 | 97.8 Ų | 97.8 | 68% | 0.678 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -12.1 | 171.2 | -78.1 | 0 | 0 | 0 | 0 | 113.2 | T288 | T288-S291 PolarHBondContact O-N 2.77Š|
| 292 | N | 45.4 | Very low | 47.5 | Very low | 123 Ų | 123 | 98.8 Ų | 98.8 | 66% | 0.658 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117 | 23.9 | 177.2 | -63.6 | -23.7 | 0 | 0 | 0 | 112.4 | Y290 | Y290-N292 PolarHBondContact O-N 3.46Š|
| 293 | C | 44.3 | Very low | 47.3 | Very low | 50 Ų | 50 | 90.7 Ų | 90.7 | 34% | 0.338 | 52% | 0.515 | S | S | . | . | trans | -94.9 | 0 | 157.2 | -69.4 | 0 | 0 | 0 | 0 | 108 | C67 W70 | C67-C293 VanDerWaalsContact SG-SG 3.68Å; W70-C293 PolarHBondContact NE1-O 3.34Å |
Retrieved 293 of 293 residues in 281.1 ms
(Link to these results)