| 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 | 32.9 | Very low | 46.5 | Very low | 245 Ų | 245 | 128.8 Ų | 128.8 | 100% | 1.207 | 66% | 0.659 | S | S | * | * | 0 | 117.1 | 0 | -72.5 | 166.3 | 168 | 0 | 0 | 107.7 | |||||
| 2 | A | 34.1 | Very low | 48.8 | Very low | 99 Ų | 99 | 119.2 Ų | 119.2 | 82% | 0.818 | 61% | 0.609 | S | S | * | * | trans | -71.8 | 140.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q4 | A2-Q4 PolarHBondContact O-N 2.87Š| ||
| 3 | K | 32.1 | Very low | 50.7 | Low | 199 Ų | 199 | 115.7 Ų | 115.7 | 87% | 0.865 | 59% | 0.585 | S | S | * | * | trans | -64.2 | 127 | 160.5 | -80.4 | -174.3 | 173.4 | -175.6 | 0 | 106.6 | Q5 | K3-Q5 PolarHBondContact O-N 3.33Š| ||
| 4 | Q | 36.3 | Very low | 52.6 | Low | 196 Ų | 196 | 107.9 Ų | 107.9 | 92% | 0.916 | 55% | 0.545 | S | S | * | . | trans | -63.4 | 109.2 | 154.2 | -76.8 | 174.4 | -29.2 | 0 | 0 | 105.7 | A2 E6 | A2-Q4 PolarHBondContact O-N 2.87Å; Q4-E6 PolarHBondContact O-N 3.02Å; Q4-E6 VanDerWaalsContact O-N 3.17Å | ||
| 5 | Q | 36.9 | Very low | 54 | Low | 164 Ų | 164 | 102.1 Ų | 102.1 | 77% | 0.766 | 52% | 0.519 | S | S | * | . | trans | -70.7 | 106.4 | 169.7 | -169.6 | 168.2 | 5.9 | 0 | 0 | 105 | K3 Q7 | K3-Q5 PolarHBondContact O-N 3.33Å; Q5-Q7 VanDerWaalsContact C-N 3.34Å; Q5-Q7 WeakPolarHBondContact O-CG 3.44Å; Q5-Q7 PolarHBondContact O-N 2.96Å | ||
| 6 | E | 42.9 | Very low | 55.1 | Low | 185 Ų | 185 | 100.9 Ų | 100.9 | 86% | 0.864 | 51% | 0.514 | S | S | * | . | trans | -64.7 | 97.3 | -179.4 | -167 | 165 | -179.2 | 0 | 0 | 107.1 | Q4 D8 | Q4-E6 PolarHBondContact O-N 3.02Å; Q4-E6 VanDerWaalsContact O-N 3.17Å; E6-D8 PolarHBondContact O-N 3.23Å | ||
| 7 | Q | 45 | Very low | 56.3 | Low | 72 Ų | 72 | 95.4 Ų | 95.4 | 34% | 0.336 | 49% | 0.486 | S | S | . | . | trans | -74.2 | 117.3 | -174.7 | -66.4 | -171.1 | -16.1 | 0 | 0 | 108.4 | Q5 | Q5-Q7 VanDerWaalsContact C-N 3.34Å; Q5-Q7 WeakPolarHBondContact O-CG 3.44Å; Q5-Q7 PolarHBondContact O-N 2.96Å | ||
| 8 | D | 52.9 | Low | 57.2 | Low | 134 Ų | 134 | 93.8 Ų | 93.8 | 72% | 0.717 | 48% | 0.484 | S | S | * | . | trans | -56.5 | 131.4 | 180 | -73.9 | -70.5 | 0 | 0 | 0 | 111.1 | E6 T10 | E6-D8 PolarHBondContact O-N 3.23Å; D8-T10 PolarHBondContact O-N 3.18Å | ||
| 9 | P | 61 | Low | 58 | Low | 60 Ų | 60 | 93.7 Ų | 93.7 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | trans | -65.7 | 108.6 | -173.3 | 26.2 | -34.4 | 0 | 0 | 0 | 109.6 | N11 I37 F57 | P9-N11 PolarHBondContact O-N 3.38Å; P9-N11 PolarHBondContact O-ND2 3.14Å; P9-I37 HydrophobicContact CB-CD1 3.6Å; P9-F57 WeakPolarHBondContact CA-O 3.42Å | ||
| 10 | T | 64.3 | Low | 58.9 | Low | 35 Ų | 35 | 94.3 Ų | 94.3 | 22% | 0.215 | 50% | 0.499 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 120.2 | -172.6 | -63 | 0 | 0 | 0 | 0 | 109.3 | D8 S56 F57 Q82 | D8-T10 PolarHBondContact O-N 3.18Å; T10-S56 WeakPolarHBondContact O-CA 3.48Å; T10-F57 PolarHBondContact N-O 3.23Å; T10-F57 PolarHBondContact O-N 2.98Å; T10-Q82 HydrophobicContact CG2-CG 4.34Å |
| 11 | N | 72.8 | Confident | 59.8 | Low | 28 Ų | 28 | 90.3 Ų | 90.3 | 15% | 0.15 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 111 | -178.3 | -56.6 | -73.8 | 0 | 0 | 0 | 109.1 | P9 S56 Q83 Q85 | P9-N11 PolarHBondContact O-N 3.38Å; P9-N11 PolarHBondContact O-ND2 3.14Å; N11-S56 WeakPolarHBondContact OD1-CB 3.29Å; N11-S56 PolarHBondContact OD1-OG 3.04Å; N11-Q83 WeakPolarHBondContact O-CB 3.37Å; N11-Q83 PolarHBondContact O-N 3.02Å; N11-Q85 PolarHBondContact ND2-NE2 2.65Å; N11-Q85 VanDerWaalsContact ND2-NE2 3.12Å |
| 12 | L | 74 | Confident | 62.2 | Low | 13 Ų | 13 | 82.6 Ų | 82.6 | 7% | 0.068 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 126.7 | 175.1 | -74.7 | 165.2 | 0 | 0 | 0 | 109.8 | F54 A55 F57 | L12-F54 WeakPolarHBondContact O-CA 3.49Å; L12-A55 PolarHBondContact N-O 3.37Å; L12-A55 PolarHBondContact O-N 2.78Å; L12-F57 HydrophobicContact CD1-CD2 4.03Å; L12-F57 HydrophobicContact CD1-CE2 3.8Å |
| 13 | Y | 73.9 | Confident | 64.5 | Low | 74 Ų | 74 | 80.4 Ų | 80.4 | 29% | 0.29 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 129.3 | 163.1 | 176.2 | -94.2 | 0 | 0 | 0 | 109 | V52 F54 L80 K81 | Y13-V52 HydrophobicContact CD2-CG1 4.26Å; Y13-V52 HydrophobicContact CE2-CG1 3.41Å; Y13-V52 VanDerWaalsContact CE2-CG1 3.41Å; Y13-V52 WeakPolarHBondContact OH-CG2 3.38Å; Y13-F54 HydrophobicContact CD2-CD1 4.35Å; Y13-F54 AromaticContact CD2-CE1 3.74Å; Y13-F54 HydrophobicContact CD2-CE1 3.74Å; Y13-F54 AromaticContact CD2-CZ 3.85Å; Y13-F54 HydrophobicContact CD2-CZ 3.85Å; Y13-F54 HydrophobicContact CE2-CZ 4.22Å; Y13-L80 WeakPolarHBondContact O-CA 3.5Å; Y13-K81 PolarHBondContact N-O 3.03Å; Y13-K81 PolarHBondContact O-N 2.91Å |
| 14 | I | 77 | Confident | 66.9 | Low | 6 Ų | 6 | 77.9 Ų | 77.9 | 3% | 0.031 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 123.8 | -179.7 | -45.7 | -179.4 | 0 | 0 | 0 | 107.7 | L17 L26 L30 V52 G53 A55 L78 L80 | I14-L17 HydrophobicContact CG2-CD1 4.46Å; I14-L17 HydrophobicContact CG2-CD2 3.77Å; I14-L17 HydrophobicContact CG2-CG 4.08Å; I14-L26 HydrophobicContact CD1-CD1 4.08Å; I14-L30 HydrophobicContact CD1-CD1 3.91Å; I14-V52 CarbonylContact O-C 3.51Å; I14-V52 WeakPolarHBondContact O-CA 3.41Å; I14-G53 PolarHBondContact N-O 3.03Å; I14-G53 PolarHBondContact O-N 2.99Å; I14-G53 VanDerWaalsContact O-O 3.12Å; I14-A55 HydrophobicContact CD1-CB 3.82Å; I14-L78 HydrophobicContact CG2-CD2 4.14Å; I14-L80 HydrophobicContact CB-CD2 4.26Å; I14-L80 HydrophobicContact CG1-CD2 3.76Å; I14-L80 HydrophobicContact CG2-CD2 4.15Å |
| 15 | S | 74.6 | Confident | 69.1 | Low | 22 Ų | 22 | 73.7 Ų | 73.7 | 15% | 0.154 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 162.4 | 175.8 | 45.4 | 0 | 0 | 0 | 0 | 110.9 | G51 L78 T79 | S15-G51 CarbonylContact C-O 3.57Å; S15-L78 WeakPolarHBondContact O-CD2 3.09Å; S15-T79 PolarHBondContact OG-O 3.33Å |
| 16 | N | 70.2 | Confident | 71.1 | Confident | 82 Ų | 82 | 65.9 Ų | 65.9 | 44% | 0.439 | 35% | 0.35 | S | S | . | . | S | Bend | trans | 61 | 43.1 | -169.4 | -159.6 | 44.9 | 0 | 0 | 0 | 115.3 | G51 D77 | N16-G51 WeakPolarHBondContact CA-O 3.43Å; N16-G51 PolarHBondContact N-O 2.9Å; N16-D77 HydrophobicContact CB-CB 4.16Å |
| 17 | L | 75.5 | Confident | 72.9 | Confident | 7 Ų | 7 | 60.1 Ų | 60.1 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | trans | -76.9 | 150 | 164.4 | -64 | 179.1 | 0 | 0 | 0 | 111.2 | I14 M21 L26 M29 I41 G51 L78 | I14-L17 HydrophobicContact CG2-CD1 4.46Å; I14-L17 HydrophobicContact CG2-CD2 3.77Å; I14-L17 HydrophobicContact CG2-CG 4.08Å; L17-M21 HydrophobicContact CD2-SD 3.96Å; L17-L26 HydrophobicContact CD1-CD1 4.21Å; L17-L26 HydrophobicContact CD1-CD2 3.83Å; L17-L26 HydrophobicContact CD2-CD1 3.98Å; L17-M29 HydrophobicContact CD2-CE 4.48Å; L17-I41 HydrophobicContact CD1-CD1 4.5Å; L17-I41 HydrophobicContact CD1-CG1 4.34Å; L17-G51 PolarHBondContact N-O 3.28Å; L17-G51 WeakPolarHBondContact O-CA 3.36Å; L17-L78 HydrophobicContact CD2-CD2 4.44Å | ||
| 18 | P | 73.1 | Confident | 74.6 | Confident | 68 Ų | 68 | 61 Ų | 61 | 44% | 0.442 | 33% | 0.33 | S | S | . | . | trans | -60.1 | 141.8 | 171.9 | -19.9 | 30.7 | 0 | 0 | 0 | 112.1 | S20 M21 | P18-S20 PolarHBondContact O-N 3.45Å; P18-M21 HydrophobicContact CB-CB 4.12Å; P18-M21 HydrophobicContact CG-CB 4.28Å; P18-M21 WeakPolarHBondContact O-CB 3.42Å; P18-M21 PolarHBondContact O-N 3.41Å | ||
| 19 | V | 72.9 | Confident | 75.7 | Confident | 92 Ų | 92 | 57.8 Ų | 57.8 | 56% | 0.558 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -24.7 | 178.9 | 179.9 | 0 | 0 | 0 | 0 | 112.2 | V48 S49 | V19-V48 HydrophobicContact CG1-CG1 3.6Å; V19-S49 WeakPolarHBondContact O-CB 3.37Å; V19-S49 PolarHBondContact O-OG 3.03Å |
| 20 | S | 75.7 | Confident | 76.3 | Confident | 104 Ų | 104 | 55 Ų | 55 | 73% | 0.727 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.9 | 175.4 | 57.5 | 0 | 0 | 0 | 0 | 114.8 | P18 | P18-S20 PolarHBondContact O-N 3.45Š|
| 21 | M | 78.1 | Confident | 76.8 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 6% | 0.059 | 31% | 0.305 | C | S | . | . | trans | -76.8 | 136.6 | -176.6 | -163 | 178.1 | -146.5 | 0 | 0 | 110.6 | L17 P18 E25 L26 M29 I41 | L17-M21 HydrophobicContact CD2-SD 3.96Å; P18-M21 HydrophobicContact CB-CB 4.12Å; P18-M21 HydrophobicContact CG-CB 4.28Å; P18-M21 WeakPolarHBondContact O-CB 3.42Å; P18-M21 PolarHBondContact O-N 3.41Å; M21-E25 HydrophobicContact CE-CB 4.28Å; M21-E25 HydrophobicContact CE-CG 3.82Å; M21-E25 HydrophobicContact CG-CB 4.1Å; M21-E25 HydrophobicContact CG-CG 4.25Å; M21-E25 WeakPolarHBondContact CG-OE2 3.3Å; M21-L26 HydrophobicContact SD-CB 4.3Å; M21-L26 HydrophobicContact SD-CD1 4.45Å; M21-M29 HydrophobicContact CE-CB 4.44Å; M21-M29 HydrophobicContact CE-CE 3.96Å; M21-M29 HydrophobicContact CE-SD 4.05Å; M21-I41 WeakPolarHBondContact O-CD1 3.22Å | ||
| 22 | D | 83.4 | Confident | 76.8 | Confident | 82 Ų | 82 | 62.4 Ų | 62.4 | 44% | 0.439 | 33% | 0.333 | S | S | . | . | trans | -105.9 | 158.9 | 175.8 | -80.9 | -33.7 | 0 | 0 | 0 | 112.1 | Q24 E25 L26 I41 R43 | D22-Q24 PolarHBondContact O-N 2.91Å; D22-E25 PolarHBondContact O-N 3.45Å; D22-L26 PolarHBondContact O-N 2.93Å; D22-I41 VanDerWaalsContact C-CD1 3.48Å; D22-R43 IonicContact OD1-CZ 3.72Å; D22-R43 IonicContact OD1-NH1 3.96Å; D22-R43 PolarHBondContact OD1-NH1 3.44Å; D22-R43 VanDerWaalsContact OD1-NH1 3.13Å; D22-R43 IonicContact OD1-NH2 2.69Å; D22-R43 PolarHBondContact OD1-NH2 3.11Å | ||
| 23 | E | 82.4 | Confident | 76.4 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 25% | 0.248 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -50.7 | -33.1 | -179.2 | -81.2 | 82.5 | 174 | 0 | 0 | 114.2 | E27 T39 I41 R43 | E23-E27 WeakPolarHBondContact O-CB 3.42Å; E23-E27 PolarHBondContact O-N 2.98Å; E23-T39 PolarHBondContact O-OG1 2.89Å; E23-I41 HydrophobicContact CG-CB 4.47Å; E23-I41 HydrophobicContact CG-CG1 4.21Å; E23-I41 WeakPolarHBondContact OE1-CB 3.36Å; E23-I41 PolarHBondContact OE1-N 3.14Å; E23-R43 IonicContact OE2-CZ 2.69Å; E23-R43 IonicContact OE2-NE 3.92Å; E23-R43 IonicContact OE2-NH2 3.71Å; E23-R43 PolarHBondContact OE2-NH2 3.4Å |
| 24 | Q | 82.3 | Confident | 76.3 | Confident | 146 Ų | 146 | 62 Ų | 62 | 68% | 0.682 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -79.9 | -30.5 | -177.1 | -163.9 | 172.2 | 69.4 | 0 | 0 | 112.5 | D22 N28 | D22-Q24 PolarHBondContact O-N 2.91Å; Q24-N28 WeakPolarHBondContact O-CB 3.14Å; Q24-N28 PolarHBondContact O-N 2.88Å; Q24-N28 PolarHBondContact O-ND2 3.11Å |
| 25 | E | 81.6 | Confident | 76.3 | Confident | 109 Ų | 109 | 68.2 Ų | 68.2 | 51% | 0.509 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.1 | -42.5 | 171.5 | -168.9 | 179.6 | -162.9 | 0 | 0 | 110.2 | M21 D22 E27 N28 M29 | M21-E25 HydrophobicContact CE-CB 4.28Å; M21-E25 HydrophobicContact CE-CG 3.82Å; M21-E25 HydrophobicContact CG-CB 4.1Å; M21-E25 HydrophobicContact CG-CG 4.25Å; M21-E25 WeakPolarHBondContact CG-OE2 3.3Å; D22-E25 PolarHBondContact O-N 3.45Å; E25-E27 VanDerWaalsContact C-N 3.32Å; E25-E27 PolarHBondContact O-N 3.17Å; E25-N28 PolarHBondContact O-N 3.2Å; E25-M29 PolarHBondContact O-N 2.87Å |
| 26 | L | 79.1 | Confident | 76.5 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -59 | -42.2 | 171.1 | -179.7 | 60 | 0 | 0 | 0 | 111.6 | I14 L17 M21 D22 M29 L30 T39 I41 | I14-L26 HydrophobicContact CD1-CD1 4.08Å; L17-L26 HydrophobicContact CD1-CD1 4.21Å; L17-L26 HydrophobicContact CD1-CD2 3.83Å; L17-L26 HydrophobicContact CD2-CD1 3.98Å; M21-L26 HydrophobicContact SD-CB 4.3Å; M21-L26 HydrophobicContact SD-CD1 4.45Å; D22-L26 PolarHBondContact O-N 2.93Å; L26-M29 HydrophobicContact CD1-CE 3.72Å; L26-M29 PolarHBondContact O-N 2.78Å; L26-L30 HydrophobicContact CD1-CD1 3.88Å; L26-L30 HydrophobicContact CD1-CG 4.32Å; L26-L30 HydrophobicContact CG-CD1 4.08Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.19Å; L26-L30 PolarHBondContact O-N 3.11Å; L26-L30 VanDerWaalsContact O-N 3.11Å; L26-T39 HydrophobicContact CB-CG2 4.39Å; L26-T39 HydrophobicContact CD2-CG2 4.16Å; L26-T39 HydrophobicContact CG-CG2 3.93Å; L26-I41 HydrophobicContact CD2-CD1 4.38Å; L26-I41 HydrophobicContact CD2-CG1 4.01Å |
| 27 | E | 80.5 | Confident | 76.9 | Confident | 64 Ų | 64 | 68.6 Ų | 68.6 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 174.4 | -168 | -163.5 | 113.5 | 0 | 0 | 111.3 | E23 E25 L30 K31 V36 T39 | E23-E27 WeakPolarHBondContact O-CB 3.42Å; E23-E27 PolarHBondContact O-N 2.98Å; E25-E27 VanDerWaalsContact C-N 3.32Å; E25-E27 PolarHBondContact O-N 3.17Å; E27-L30 CarbonylContact O-C 3.5Å; E27-L30 PolarHBondContact O-N 3.18Å; E27-L30 VanDerWaalsContact O-N 3.16Å; E27-K31 WeakPolarHBondContact O-CG 3.09Å; E27-K31 PolarHBondContact O-N 3.24Å; E27-K31 WeakPolarHBondContact OE1-CE 3.37Å; E27-K31 IonicContact OE1-NZ 2.65Å; E27-K31 PolarHBondContact OE1-NZ 2.85Å; E27-V36 HydrophobicContact CG-CB 4.47Å; E27-V36 HydrophobicContact CG-CG1 4.4Å; E27-T39 HydrophobicContact CB-CG2 3.98Å |
| 28 | N | 81.1 | Confident | 76.8 | Confident | 89 Ų | 89 | 71 Ų | 71 | 48% | 0.476 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -65.1 | -37.9 | 177.6 | -72.8 | -21.9 | 0 | 0 | 0 | 113.1 | Q24 E25 L30 K31 P32 | Q24-N28 WeakPolarHBondContact O-CB 3.14Å; Q24-N28 PolarHBondContact O-N 2.88Å; Q24-N28 PolarHBondContact O-ND2 3.11Å; E25-N28 PolarHBondContact O-N 3.2Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 2.9Å; N28-K31 PolarHBondContact OD1-NZ 3.05Å; N28-P32 WeakPolarHBondContact O-CD 3.24Å |
| 29 | M | 76.2 | Confident | 77.2 | Confident | 67 Ų | 67 | 68.6 Ų | 68.6 | 33% | 0.33 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.9 | -32.8 | 172.7 | -174.4 | 173.1 | 68.9 | 0 | 0 | 112.1 | L17 M21 E25 L26 P32 | L17-M29 HydrophobicContact CD2-CE 4.48Å; M21-M29 HydrophobicContact CE-CB 4.44Å; M21-M29 HydrophobicContact CE-CE 3.96Å; M21-M29 HydrophobicContact CE-SD 4.05Å; E25-M29 PolarHBondContact O-N 2.87Å; L26-M29 HydrophobicContact CD1-CE 3.72Å; L26-M29 PolarHBondContact O-N 2.78Å; M29-P32 WeakPolarHBondContact O-CD 3.38Å |
| 30 | L | 74.5 | Confident | 77.7 | Confident | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.016 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -93.1 | -12.8 | -176.8 | -64.1 | 176.3 | 0 | 0 | 0 | 114.6 | I14 L26 E27 N28 L33 G34 V36 T39 A55 F57 L70 | I14-L30 HydrophobicContact CD1-CD1 3.91Å; L26-L30 HydrophobicContact CD1-CD1 3.88Å; L26-L30 HydrophobicContact CD1-CG 4.32Å; L26-L30 HydrophobicContact CG-CD1 4.08Å; L26-L30 WeakPolarHBondContact O-CB 3.45Å; L26-L30 WeakPolarHBondContact O-CG 3.19Å; L26-L30 PolarHBondContact O-N 3.11Å; L26-L30 VanDerWaalsContact O-N 3.11Å; E27-L30 CarbonylContact O-C 3.5Å; E27-L30 PolarHBondContact O-N 3.18Å; E27-L30 VanDerWaalsContact O-N 3.16Å; N28-L30 VanDerWaalsContact C-N 3.27Å; N28-L30 PolarHBondContact O-N 2.9Å; L30-L33 HydrophobicContact CD2-CD1 3.96Å; L30-L33 WeakPolarHBondContact O-CB 3.43Å; L30-L33 PolarHBondContact O-N 2.95Å; L30-L33 VanDerWaalsContact O-N 3.14Å; L30-G34 PolarHBondContact O-N 2.83Å; L30-V36 HydrophobicContact CB-CG2 3.67Å; L30-T39 HydrophobicContact CD1-CG2 4.4Å; L30-A55 HydrophobicContact CD1-CB 3.54Å; L30-F57 HydrophobicContact CB-CE1 4.39Å; L30-F57 HydrophobicContact CB-CZ 3.95Å; L30-F57 HydrophobicContact CD1-CE2 4.42Å; L30-F57 HydrophobicContact CD1-CZ 4.05Å; L30-F57 HydrophobicContact CD2-CZ 4.18Å; L30-F57 HydrophobicContact CG-CZ 4.27Å; L30-L70 HydrophobicContact CD2-CD2 4.08Å |
| 31 | K | 74.7 | Confident | 78.1 | Confident | 103 Ų | 103 | 67.7 Ų | 67.7 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.2 | -46 | 173.1 | -87.1 | 170.2 | -170.6 | 152.3 | 0 | 116.2 | E27 N28 L33 | E27-K31 WeakPolarHBondContact O-CG 3.09Å; E27-K31 PolarHBondContact O-N 3.24Å; E27-K31 WeakPolarHBondContact OE1-CE 3.37Å; E27-K31 IonicContact OE1-NZ 2.65Å; E27-K31 PolarHBondContact OE1-NZ 2.85Å; N28-K31 PolarHBondContact OD1-NZ 3.05Å; K31-L33 PolarHBondContact O-N 2.97Å |
| 32 | P | 72.7 | Confident | 78.3 | Confident | 115 Ų | 115 | 70.7 Ų | 70.7 | 75% | 0.747 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -14.3 | 176.3 | 28.7 | -35.9 | 0 | 0 | 0 | 112.6 | N28 M29 | N28-P32 WeakPolarHBondContact O-CD 3.24Å; M29-P32 WeakPolarHBondContact O-CD 3.38Å |
| 33 | L | 64.8 | Low | 78.3 | Confident | 51 Ų | 51 | 71.4 Ų | 71.4 | 27% | 0.267 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -30.9 | -178 | -71 | 163.7 | 0 | 0 | 0 | 111.6 | L30 K31 F66 L70 | L30-L33 HydrophobicContact CD2-CD1 3.96Å; L30-L33 WeakPolarHBondContact O-CB 3.43Å; L30-L33 PolarHBondContact O-N 2.95Å; L30-L33 VanDerWaalsContact O-N 3.14Å; K31-L33 PolarHBondContact O-N 2.97Å; L33-F66 HydrophobicContact CB-CE2 3.64Å; L33-F66 HydrophobicContact CB-CZ 3.6Å; L33-F66 HydrophobicContact CD2-CD2 4.14Å; L33-F66 HydrophobicContact CD2-CE2 3.58Å; L33-F66 HydrophobicContact CD2-CZ 4.17Å; L33-F66 HydrophobicContact CG-CE2 4.23Å; L33-F66 HydrophobicContact CG-CZ 4.45Å; L33-F66 WeakPolarHBondContact O-CE2 3.46Å; L33-F66 VanDerWaalsContact O-CZ 3.3Å; L33-F66 WeakPolarHBondContact O-CZ 2.91Å; L33-L70 HydrophobicContact CD1-CD1 4.04Å; L33-L70 HydrophobicContact CD1-CD2 3.6Å; L33-L70 HydrophobicContact CD1-CG 3.71Å; L33-L70 HydrophobicContact CD2-CG 4.4Å |
| 34 | G | 71.3 | Confident | 78.2 | Confident | 27 Ų | 27 | 71.7 Ų | 71.7 | 28% | 0.278 | 36% | 0.36 | S | S | . | . | trans | 177.3 | 179.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | L30 V36 | L30-G34 PolarHBondContact O-N 2.83Å; G34-V36 PolarHBondContact O-N 2.81Å | ||
| 35 | H | 78.2 | Confident | 77.8 | Confident | 137 Ų | 137 | 69.6 Ų | 69.6 | 63% | 0.634 | 37% | 0.367 | S | S | * | . | trans | -76.4 | 96.2 | 173.7 | -175.6 | -87.1 | 0 | 0 | 0 | 110.5 | S58 | H35-S58 PolarHBondContact ND1-OG 2.64Å; H35-S58 PolarHBondContact O-N 3.06Å; H35-S58 VanDerWaalsContact O-N 3.1Å; H35-S58 PolarHBondContact O-OG 2.8Å | ||
| 36 | V | 78.1 | Confident | 77.5 | Confident | 21 Ų | 21 | 70.8 Ų | 70.8 | 13% | 0.127 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 125.7 | 176.4 | -173 | 0 | 0 | 0 | 0 | 110 | E27 L30 G34 T39 F57 | E27-V36 HydrophobicContact CG-CB 4.47Å; E27-V36 HydrophobicContact CG-CG1 4.4Å; L30-V36 HydrophobicContact CB-CG2 3.67Å; G34-V36 PolarHBondContact O-N 2.81Å; V36-T39 HydrophobicContact CG1-CG2 3.96Å; V36-F57 HydrophobicContact CG2-CD1 4.22Å; V36-F57 HydrophobicContact CG2-CE1 3.67Å; V36-F57 HydrophobicContact CG2-CZ 4.08Å |
| 37 | I | 77.9 | Confident | 77.1 | Confident | 90 Ų | 90 | 72.9 Ų | 72.9 | 46% | 0.462 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | -44.4 | 171 | -63.9 | 171.3 | 0 | 0 | 0 | 110.6 | P9 S56 | P9-I37 HydrophobicContact CB-CD1 3.6Å; I37-S56 WeakPolarHBondContact CB-O 3.46Å; I37-S56 PolarHBondContact N-O 3.21Å |
| 38 | S | 75.1 | Confident | 76.8 | Confident | 59 Ų | 59 | 73.7 Ų | 73.7 | 41% | 0.413 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 137.1 | -176 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | A55 S56 | S38-A55 WeakPolarHBondContact O-CA 3.45Å; S38-S56 PolarHBondContact N-O 3.28Å; S38-S56 PolarHBondContact O-N 3.29Å |
| 39 | T | 80.5 | Confident | 76.5 | Confident | 17 Ų | 17 | 69.6 Ų | 69.6 | 10% | 0.104 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 160.9 | 159 | 54.2 | 0 | 0 | 0 | 0 | 110.4 | E23 L26 E27 L30 V36 F54 | E23-T39 PolarHBondContact O-OG1 2.89Å; L26-T39 HydrophobicContact CB-CG2 4.39Å; L26-T39 HydrophobicContact CD2-CG2 4.16Å; L26-T39 HydrophobicContact CG-CG2 3.93Å; E27-T39 HydrophobicContact CB-CG2 3.98Å; L30-T39 HydrophobicContact CD1-CG2 4.4Å; V36-T39 HydrophobicContact CG1-CG2 3.96Å; T39-F54 CarbonylContact C-O 3.49Å; T39-F54 WeakPolarHBondContact CA-O 3.41Å |
| 40 | R | 83.6 | Confident | 76.2 | Confident | 167 Ų | 167 | 74.1 Ų | 74.1 | 63% | 0.63 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -156.6 | 132.9 | 164.9 | -178 | -178.3 | -60 | 167.8 | 7.2 | 109.6 | G53 F54 | R40-G53 CarbonylContact O-C 3.57Å; R40-G53 WeakPolarHBondContact O-CA 3.4Å; R40-F54 PolarHBondContact N-O 3.26Å; R40-F54 PolarHBondContact O-N 3.47Å |
| 41 | I | 83.6 | Confident | 76.2 | Confident | 9 Ų | 9 | 74.5 Ų | 74.5 | 5% | 0.046 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 137.6 | 172.7 | -65.1 | 179.2 | 0 | 0 | 0 | 109.3 | L17 M21 D22 E23 L26 R43 | L17-I41 HydrophobicContact CD1-CD1 4.5Å; L17-I41 HydrophobicContact CD1-CG1 4.34Å; M21-I41 WeakPolarHBondContact O-CD1 3.22Å; D22-I41 VanDerWaalsContact C-CD1 3.48Å; E23-I41 HydrophobicContact CG-CB 4.47Å; E23-I41 HydrophobicContact CG-CG1 4.21Å; E23-I41 WeakPolarHBondContact OE1-CB 3.36Å; E23-I41 PolarHBondContact OE1-N 3.14Å; L26-I41 HydrophobicContact CD2-CD1 4.38Å; L26-I41 HydrophobicContact CD2-CG1 4.01Å; I41-R43 HydrophobicContact CG2-CG 4.24Å; I41-R43 PolarHBondContact O-N 3.16Å |
| 42 | L | 82.2 | Confident | 76.4 | Confident | 76 Ų | 76 | 70.3 Ų | 70.3 | 40% | 0.398 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 93.8 | 178.6 | -173.1 | 65.5 | 0 | 0 | 0 | 108.9 | R50 V52 F54 | L42-R50 WeakPolarHBondContact O-CB 3.11Å; L42-R50 PolarHBondContact O-N 3.21Å; L42-V52 HydrophobicContact CB-CB 4.19Å; L42-V52 HydrophobicContact CB-CG1 3.98Å; L42-V52 HydrophobicContact CD2-CB 4.48Å; L42-V52 HydrophobicContact CD2-CG1 3.99Å; L42-V52 PolarHBondContact N-O 2.94Å; L42-F54 HydrophobicContact CB-CE2 4.46Å |
| 43 | R | 83.1 | Confident | 76.7 | Confident | 96 Ų | 96 | 64.9 Ų | 64.9 | 36% | 0.362 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 145.1 | 174.9 | -51.9 | -173.1 | -165.9 | -125.8 | 5.5 | 110.3 | D22 E23 I41 G47 V48 | D22-R43 IonicContact OD1-CZ 3.72Å; D22-R43 IonicContact OD1-NH1 3.96Å; D22-R43 PolarHBondContact OD1-NH1 3.44Å; D22-R43 VanDerWaalsContact OD1-NH1 3.13Å; D22-R43 IonicContact OD1-NH2 2.69Å; D22-R43 PolarHBondContact OD1-NH2 3.11Å; E23-R43 IonicContact OE2-CZ 2.69Å; E23-R43 IonicContact OE2-NE 3.92Å; E23-R43 IonicContact OE2-NH2 3.71Å; E23-R43 PolarHBondContact OE2-NH2 3.4Å; I41-R43 HydrophobicContact CG2-CG 4.24Å; I41-R43 PolarHBondContact O-N 3.16Å; R43-G47 WeakPolarHBondContact CD-O 3.47Å; R43-V48 CarbonylContact C-O 3.53Å; R43-V48 WeakPolarHBondContact CA-O 3.43Å |
| 44 | D | 80.6 | Confident | 77.5 | Confident | 60 Ų | 60 | 65.7 Ų | 65.7 | 32% | 0.321 | 35% | 0.353 | S | S | . | . | trans | -73.1 | 171.8 | 176.7 | -172.4 | 48.2 | 0 | 0 | 0 | 111.8 | N46 G47 V48 R50 | D44-N46 PolarHBondContact O-N 2.91Å; D44-N46 VanDerWaalsContact O-N 3.09Å; D44-N46 PolarHBondContact OD2-ND2 2.89Å; D44-G47 PolarHBondContact O-N 3.43Å; D44-V48 PolarHBondContact N-O 3.26Å; D44-R50 HydrophobicContact CB-CG 3.82Å | ||
| 45 | A | 74.6 | Confident | 77.9 | Confident | 102 Ų | 102 | 64.5 Ų | 64.5 | 84% | 0.843 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -27.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | G47 | A45-G47 VanDerWaalsContact C-N 3.27Å; A45-G47 PolarHBondContact O-N 3.18Å |
| 46 | N | 75.7 | Confident | 77.8 | Confident | 133 Ų | 133 | 58.6 Ų | 58.6 | 71% | 0.711 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | 5.6 | 175.9 | -59.3 | -70.2 | 0 | 0 | 0 | 114.1 | D44 V48 | D44-N46 PolarHBondContact O-N 2.91Å; D44-N46 VanDerWaalsContact O-N 3.09Å; D44-N46 PolarHBondContact OD2-ND2 2.89Å; N46-V48 HydrophobicContact CB-CG2 4.32Å; N46-V48 PolarHBondContact O-N 3.45Å |
| 47 | G | 69.3 | Low | 77.7 | Confident | 45 Ų | 45 | 58.2 Ų | 58.2 | 46% | 0.464 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 77.6 | -9.3 | -177 | 0 | 0 | 0 | 0 | 0 | 115.4 | R43 D44 A45 | R43-G47 WeakPolarHBondContact CD-O 3.47Å; D44-G47 PolarHBondContact O-N 3.43Å; A45-G47 VanDerWaalsContact C-N 3.27Å; A45-G47 PolarHBondContact O-N 3.18Å |
| 48 | V | 74.6 | Confident | 77.3 | Confident | 80 Ų | 80 | 56.3 Ų | 56.3 | 49% | 0.485 | 31% | 0.306 | S | S | . | . | trans | -71.6 | 127.6 | 180 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | V19 R43 D44 N46 R50 | V19-V48 HydrophobicContact CG1-CG1 3.6Å; R43-V48 CarbonylContact C-O 3.53Å; R43-V48 WeakPolarHBondContact CA-O 3.43Å; D44-V48 PolarHBondContact N-O 3.26Å; N46-V48 HydrophobicContact CB-CG2 4.32Å; N46-V48 PolarHBondContact O-N 3.45Å; V48-R50 PolarHBondContact O-N 3.16Å | ||
| 49 | S | 74.7 | Confident | 76.5 | Confident | 4 Ų | 4 | 56.2 Ų | 56.2 | 3% | 0.028 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 122.5 | 175.2 | -60.6 | 0 | 0 | 0 | 0 | 111.1 | V19 G51 | V19-S49 WeakPolarHBondContact O-CB 3.37Å; V19-S49 PolarHBondContact O-OG 3.03Å; S49-G51 PolarHBondContact O-N 3.06Å |
| 50 | R | 70.9 | Confident | 75.3 | Confident | 162 Ų | 162 | 61.4 Ų | 61.4 | 61% | 0.611 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 21.3 | -177.2 | -64.7 | -175.4 | 56.9 | 157.8 | -3.7 | 114.1 | L42 D44 V48 V52 | L42-R50 WeakPolarHBondContact O-CB 3.11Å; L42-R50 PolarHBondContact O-N 3.21Å; D44-R50 HydrophobicContact CB-CG 3.82Å; V48-R50 PolarHBondContact O-N 3.16Å; R50-V52 PolarHBondContact O-N 2.99Å |
| 51 | G | 73.4 | Confident | 73.4 | Confident | 10 Ų | 10 | 64.4 Ų | 64.4 | 10% | 0.103 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.2 | 27.1 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S15 N16 L17 S49 | S15-G51 CarbonylContact C-O 3.57Å; N16-G51 WeakPolarHBondContact CA-O 3.43Å; N16-G51 PolarHBondContact N-O 2.9Å; L17-G51 PolarHBondContact N-O 3.28Å; L17-G51 WeakPolarHBondContact O-CA 3.36Å; S49-G51 PolarHBondContact O-N 3.06Å |
| 52 | V | 78.8 | Confident | 71.7 | Confident | 16 Ų | 16 | 70.8 Ų | 70.8 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 138.6 | -175.9 | 168.1 | 0 | 0 | 0 | 0 | 109.3 | Y13 I14 L42 R50 F54 | Y13-V52 HydrophobicContact CD2-CG1 4.26Å; Y13-V52 HydrophobicContact CE2-CG1 3.41Å; Y13-V52 VanDerWaalsContact CE2-CG1 3.41Å; Y13-V52 WeakPolarHBondContact OH-CG2 3.38Å; I14-V52 CarbonylContact O-C 3.51Å; I14-V52 WeakPolarHBondContact O-CA 3.41Å; L42-V52 HydrophobicContact CB-CB 4.19Å; L42-V52 HydrophobicContact CB-CG1 3.98Å; L42-V52 HydrophobicContact CD2-CB 4.48Å; L42-V52 HydrophobicContact CD2-CG1 3.99Å; L42-V52 PolarHBondContact N-O 2.94Å; R50-V52 PolarHBondContact O-N 2.99Å; V52-F54 HydrophobicContact CG1-CE2 4.47Å |
| 53 | G | 80.1 | Confident | 70.1 | Confident | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 170.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | I14 R40 | I14-G53 PolarHBondContact N-O 3.03Å; I14-G53 PolarHBondContact O-N 2.99Å; I14-G53 VanDerWaalsContact O-O 3.12Å; R40-G53 CarbonylContact O-C 3.57Å; R40-G53 WeakPolarHBondContact O-CA 3.4Å |
| 54 | F | 80.3 | Confident | 68.7 | Low | 69 Ų | 69 | 76.5 Ų | 76.5 | 30% | 0.303 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 136.3 | 175.6 | -63 | -97.1 | 0 | 0 | 0 | 108.3 | L12 Y13 T39 R40 L42 V52 | L12-F54 WeakPolarHBondContact O-CA 3.49Å; Y13-F54 HydrophobicContact CD2-CD1 4.35Å; Y13-F54 AromaticContact CD2-CE1 3.74Å; Y13-F54 HydrophobicContact CD2-CE1 3.74Å; Y13-F54 AromaticContact CD2-CZ 3.85Å; Y13-F54 HydrophobicContact CD2-CZ 3.85Å; Y13-F54 HydrophobicContact CE2-CZ 4.22Å; T39-F54 CarbonylContact C-O 3.49Å; T39-F54 WeakPolarHBondContact CA-O 3.41Å; R40-F54 PolarHBondContact N-O 3.26Å; R40-F54 PolarHBondContact O-N 3.47Å; L42-F54 HydrophobicContact CB-CE2 4.46Å; V52-F54 HydrophobicContact CG1-CE2 4.47Å |
| 55 | A | 79.9 | Confident | 67.3 | Low | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.008 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 133.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | L12 I14 L30 S38 F57 | L12-A55 PolarHBondContact N-O 3.37Å; L12-A55 PolarHBondContact O-N 2.78Å; I14-A55 HydrophobicContact CD1-CB 3.82Å; L30-A55 HydrophobicContact CD1-CB 3.54Å; S38-A55 WeakPolarHBondContact O-CA 3.45Å; A55-F57 HydrophobicContact CB-CD2 4.4Å; A55-F57 HydrophobicContact CB-CE2 3.7Å; A55-F57 HydrophobicContact CB-CZ 4.46Å |
| 56 | S | 77.1 | Confident | 66.3 | Low | 14 Ų | 14 | 78 Ų | 78 | 10% | 0.098 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 131.7 | 178.8 | -161.9 | 0 | 0 | 0 | 0 | 109.2 | T10 N11 I37 S38 | T10-S56 WeakPolarHBondContact O-CA 3.48Å; N11-S56 WeakPolarHBondContact OD1-CB 3.29Å; N11-S56 PolarHBondContact OD1-OG 3.04Å; I37-S56 WeakPolarHBondContact CB-O 3.46Å; I37-S56 PolarHBondContact N-O 3.21Å; S38-S56 PolarHBondContact N-O 3.28Å; S38-S56 PolarHBondContact O-N 3.29Å |
| 57 | F | 76.1 | Confident | 65.4 | Low | 12 Ų | 12 | 74 Ų | 74 | 5% | 0.053 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 145 | -175.2 | -71.5 | -99.4 | 0 | 0 | 0 | 111.7 | P9 T10 L12 L30 V36 A55 | P9-F57 WeakPolarHBondContact CA-O 3.42Å; T10-F57 PolarHBondContact N-O 3.23Å; T10-F57 PolarHBondContact O-N 2.98Å; L12-F57 HydrophobicContact CD1-CD2 4.03Å; L12-F57 HydrophobicContact CD1-CE2 3.8Å; L30-F57 HydrophobicContact CB-CE1 4.39Å; L30-F57 HydrophobicContact CB-CZ 3.95Å; L30-F57 HydrophobicContact CD1-CE2 4.42Å; L30-F57 HydrophobicContact CD1-CZ 4.05Å; L30-F57 HydrophobicContact CD2-CZ 4.18Å; L30-F57 HydrophobicContact CG-CZ 4.27Å; V36-F57 HydrophobicContact CG2-CD1 4.22Å; V36-F57 HydrophobicContact CG2-CE1 3.67Å; V36-F57 HydrophobicContact CG2-CZ 4.08Å; A55-F57 HydrophobicContact CB-CD2 4.4Å; A55-F57 HydrophobicContact CB-CE2 3.7Å; A55-F57 HydrophobicContact CB-CZ 4.46Å |
| 58 | S | 68.6 | Low | 64.5 | Low | 51 Ų | 51 | 77.8 Ų | 77.8 | 36% | 0.357 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -91.5 | -0.8 | -175.7 | 67 | 0 | 0 | 0 | 0 | 115.6 | H35 | H35-S58 PolarHBondContact ND1-OG 2.64Å; H35-S58 PolarHBondContact O-N 3.06Å; H35-S58 VanDerWaalsContact O-N 3.1Å; H35-S58 PolarHBondContact O-OG 2.8Å |
| 59 | S | 59.3 | Low | 63.3 | Low | 56 Ų | 56 | 76.6 Ų | 76.6 | 39% | 0.392 | 36% | 0.358 | S | S | . | . | trans | -153.4 | 129 | 174.2 | 172.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 60 | W | 54.6 | Low | 62.3 | Low | 126 Ų | 126 | 76.9 Ų | 76.9 | 48% | 0.477 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 132.5 | 155.8 | 51 | -81.8 | 0 | 0 | 0 | 107.3 | Q62 | W60-Q62 HydrophobicContact CE3-CG 3.87Å; W60-Q62 HydrophobicContact CZ3-CG 3.56Å |
| 61 | W | 43.8 | Very low | 61.5 | Low | 230 Ų | 230 | 72 Ų | 72 | 87% | 0.871 | 35% | 0.348 | S | S | * | . | P | Polyproline II helix | trans | -92.2 | 148.2 | 143.2 | -92.6 | 71.7 | 0 | 0 | 0 | 108.1 | D63 | W61-D63 PolarHBondContact O-N 2.76Å; W61-D63 VanDerWaalsContact O-N 3.17Å |
| 62 | Q | 48.3 | Very low | 60.1 | Low | 144 Ų | 144 | 75.3 Ų | 75.3 | 67% | 0.673 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 117.4 | 164.2 | -60.8 | 178.2 | -48.5 | 0 | 0 | 106.6 | W60 | W60-Q62 HydrophobicContact CE3-CG 3.87Å; W60-Q62 HydrophobicContact CZ3-CG 3.56Å |
| 63 | D | 48.4 | Very low | 58.6 | Low | 98 Ų | 98 | 79.3 Ų | 79.3 | 52% | 0.524 | 40% | 0.398 | S | S | . | . | -179.3 | 152.7 | 108.8 | -86.9 | -28.6 | 0 | 0 | 0 | 112.4 | W61 L65 F66 | W61-D63 PolarHBondContact O-N 2.76Å; W61-D63 VanDerWaalsContact O-N 3.17Å; D63-L65 HydrophobicContact CB-CB 3.81Å; D63-L65 HydrophobicContact CB-CD1 4.13Å; D63-L65 HydrophobicContact CB-CG 4.29Å; D63-L65 PolarHBondContact O-N 3.19Å; D63-F66 VanDerWaalsContact O-CB 3.29Å; D63-F66 WeakPolarHBondContact O-CB 3.43Å; D63-F66 PolarHBondContact O-N 2.97Å | |||
| 64 | Y | 53 | Low | 56.8 | Low | 194 Ų | 194 | 88 Ų | 88 | 76% | 0.761 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -53.4 | -31.5 | 164.9 | -151.4 | -101.3 | 0 | 0 | 0 | 111.4 | F66 I67 H68 | Y64-F66 PolarHBondContact O-N 2.97Å; Y64-I67 PolarHBondContact O-N 3.05Å; Y64-H68 WeakPolarHBondContact O-CB 3.26Å; Y64-H68 PolarHBondContact O-N 2.89Å |
| 65 | L | 51.1 | Low | 55.1 | Low | 127 Ų | 127 | 87 Ų | 87 | 67% | 0.665 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -54.8 | -30.1 | 172.6 | -70.7 | 158 | 0 | 0 | 0 | 113.7 | D63 S69 | D63-L65 HydrophobicContact CB-CB 3.81Å; D63-L65 HydrophobicContact CB-CD1 4.13Å; D63-L65 HydrophobicContact CB-CG 4.29Å; D63-L65 PolarHBondContact O-N 3.19Å; L65-S69 WeakPolarHBondContact O-CB 3.36Å; L65-S69 PolarHBondContact O-N 3.07Å |
| 66 | F | 54.9 | Low | 53.3 | Low | 65 Ų | 65 | 96.2 Ų | 96.2 | 29% | 0.285 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.5 | -47.2 | -179.7 | -178.6 | -103.5 | 0 | 0 | 0 | 112 | L33 D63 Y64 H68 S69 L70 | L33-F66 HydrophobicContact CB-CE2 3.64Å; L33-F66 HydrophobicContact CB-CZ 3.6Å; L33-F66 HydrophobicContact CD2-CD2 4.14Å; L33-F66 HydrophobicContact CD2-CE2 3.58Å; L33-F66 HydrophobicContact CD2-CZ 4.17Å; L33-F66 HydrophobicContact CG-CE2 4.23Å; L33-F66 HydrophobicContact CG-CZ 4.45Å; L33-F66 WeakPolarHBondContact O-CE2 3.46Å; L33-F66 VanDerWaalsContact O-CZ 3.3Å; L33-F66 WeakPolarHBondContact O-CZ 2.91Å; D63-F66 VanDerWaalsContact O-CB 3.29Å; D63-F66 WeakPolarHBondContact O-CB 3.43Å; D63-F66 PolarHBondContact O-N 2.97Å; Y64-F66 PolarHBondContact O-N 2.97Å; F66-H68 VanDerWaalsContact C-N 3.34Å; F66-S69 PolarHBondContact O-N 3.31Å; F66-L70 HydrophobicContact CD1-CD1 4.25Å; F66-L70 HydrophobicContact CE1-CD1 3.93Å; F66-L70 HydrophobicContact CZ-CD1 4.38Å; F66-L70 PolarHBondContact O-N 3.1Å |
| 67 | I | 56.2 | Low | 51.8 | Low | 51 Ų | 51 | 100.3 Ų | 100.3 | 26% | 0.262 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 172.5 | -71.6 | 173.3 | 0 | 0 | 0 | 109.5 | Y64 S69 L70 T71 L80 | Y64-I67 PolarHBondContact O-N 3.05Å; I67-S69 VanDerWaalsContact C-N 3.31Å; I67-S69 PolarHBondContact O-N 2.86Å; I67-L70 WeakPolarHBondContact O-CB 3.43Å; I67-L70 PolarHBondContact O-N 2.85Å; I67-T71 PolarHBondContact O-N 2.81Å; I67-T71 PolarHBondContact O-OG1 2.97Å; I67-T71 VanDerWaalsContact O-OG1 3.14Å; I67-L80 HydrophobicContact CB-CD1 4.4Å; I67-L80 HydrophobicContact CG1-CD1 4.33Å; I67-L80 HydrophobicContact CG2-CB 4.11Å; I67-L80 HydrophobicContact CG2-CD1 4.09Å |
| 68 | H | 50.5 | Low | 50.5 | Low | 123 Ų | 123 | 100.2 Ų | 100.2 | 57% | 0.569 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.2 | -34 | 179.3 | -135.4 | -86.5 | 0 | 0 | 0 | 113.1 | Y64 F66 A72 | Y64-H68 WeakPolarHBondContact O-CB 3.26Å; Y64-H68 PolarHBondContact O-N 2.89Å; F66-H68 VanDerWaalsContact C-N 3.34Å; H68-A72 WeakPolarHBondContact O-CB 3.34Å; H68-A72 PolarHBondContact O-N 3.27Å |
| 69 | S | 49.2 | Very low | 49.5 | Very low | 56 Ų | 56 | 100.8 Ų | 100.8 | 39% | 0.392 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69 | -44.3 | 173.9 | -177.8 | 0 | 0 | 0 | 0 | 111.1 | L65 F66 I67 T71 A72 V73 | L65-S69 WeakPolarHBondContact O-CB 3.36Å; L65-S69 PolarHBondContact O-N 3.07Å; F66-S69 PolarHBondContact O-N 3.31Å; I67-S69 VanDerWaalsContact C-N 3.31Å; I67-S69 PolarHBondContact O-N 2.86Å; S69-T71 VanDerWaalsContact C-N 3.33Å; S69-T71 PolarHBondContact O-N 3.37Å; S69-A72 CarbonylContact O-C 3.48Å; S69-A72 WeakPolarHBondContact O-CA 3.48Å; S69-A72 WeakPolarHBondContact O-CB 3.37Å; S69-A72 PolarHBondContact O-N 2.87Å; S69-V73 WeakPolarHBondContact O-CG2 3.5Å; S69-V73 PolarHBondContact O-N 2.79Å |
| 70 | L | 54.6 | Low | 49 | Very low | 10 Ų | 10 | 99.2 Ų | 99.2 | 5% | 0.052 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -57.2 | -43.1 | 172.6 | -101 | 157 | 0 | 0 | 0 | 112.5 | L30 L33 F66 I67 A72 V73 L80 | L30-L70 HydrophobicContact CD2-CD2 4.08Å; L33-L70 HydrophobicContact CD1-CD1 4.04Å; L33-L70 HydrophobicContact CD1-CD2 3.6Å; L33-L70 HydrophobicContact CD1-CG 3.71Å; L33-L70 HydrophobicContact CD2-CG 4.4Å; F66-L70 HydrophobicContact CD1-CD1 4.25Å; F66-L70 HydrophobicContact CE1-CD1 3.93Å; F66-L70 HydrophobicContact CZ-CD1 4.38Å; F66-L70 PolarHBondContact O-N 3.1Å; I67-L70 WeakPolarHBondContact O-CB 3.43Å; I67-L70 PolarHBondContact O-N 2.85Å; L70-A72 VanDerWaalsContact C-N 3.28Å; L70-A72 PolarHBondContact O-N 3.44Å; L70-V73 PolarHBondContact O-N 2.79Å; L70-L80 HydrophobicContact CB-CD1 3.67Å; L70-L80 HydrophobicContact CD1-CD1 3.81Å; L70-L80 HydrophobicContact CG-CD1 4.26Å |
| 71 | T | 53.2 | Low | 48.7 | Very low | 59 Ų | 59 | 99.8 Ų | 99.8 | 36% | 0.362 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -26.7 | 173.7 | -48.8 | 0 | 0 | 0 | 0 | 112.6 | I67 S69 | I67-T71 PolarHBondContact O-N 2.81Å; I67-T71 PolarHBondContact O-OG1 2.97Å; I67-T71 VanDerWaalsContact O-OG1 3.14Å; S69-T71 VanDerWaalsContact C-N 3.33Å; S69-T71 PolarHBondContact O-N 3.37Å |
| 72 | A | 43.8 | Very low | 48.7 | Very low | 79 Ų | 79 | 94.6 Ų | 94.6 | 65% | 0.653 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -80.8 | -23.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | H68 S69 L70 H74 | H68-A72 WeakPolarHBondContact O-CB 3.34Å; H68-A72 PolarHBondContact O-N 3.27Å; S69-A72 CarbonylContact O-C 3.48Å; S69-A72 WeakPolarHBondContact O-CA 3.48Å; S69-A72 WeakPolarHBondContact O-CB 3.37Å; S69-A72 PolarHBondContact O-N 2.87Å; L70-A72 VanDerWaalsContact C-N 3.28Å; L70-A72 PolarHBondContact O-N 3.44Å; A72-H74 PolarHBondContact O-N 2.75Å |
| 73 | V | 48.2 | Very low | 48.7 | Very low | 101 Ų | 101 | 91.5 Ų | 91.5 | 61% | 0.612 | 47% | 0.467 | S | S | * | . | S | Bend | trans | -78.9 | 70.5 | 175.5 | -178.7 | 0 | 0 | 0 | 0 | 110.6 | S69 L70 V75 | S69-V73 WeakPolarHBondContact O-CG2 3.5Å; S69-V73 PolarHBondContact O-N 2.79Å; L70-V73 PolarHBondContact O-N 2.79Å; V73-V75 PolarHBondContact O-N 2.89Å; V73-V75 VanDerWaalsContact O-N 3.11Å |
| 74 | H | 42.3 | Very low | 48.8 | Very low | 183 Ų | 183 | 93.4 Ų | 93.4 | 85% | 0.847 | 47% | 0.473 | S | S | * | . | S | Bend | trans | 61.4 | 19 | 156.3 | -140.6 | 83 | 0 | 0 | 0 | 119.3 | A72 | A72-H74 PolarHBondContact O-N 2.75Š|
| 75 | V | 44.5 | Very low | 48.7 | Very low | 48 Ų | 48 | 89.2 Ų | 89.2 | 29% | 0.291 | 46% | 0.46 | S | S | . | . | trans | -132.4 | 101.2 | 164.7 | -177.8 | 0 | 0 | 0 | 0 | 109.6 | V73 D77 L78 | V73-V75 PolarHBondContact O-N 2.89Å; V73-V75 VanDerWaalsContact O-N 3.11Å; V75-D77 PolarHBondContact O-N 2.97Å; V75-L78 HydrophobicContact CB-CD1 3.91Å; V75-L78 HydrophobicContact CB-CD2 4.19Å; V75-L78 HydrophobicContact CB-CG 3.72Å; V75-L78 HydrophobicContact CG1-CD1 4.41Å; V75-L78 HydrophobicContact CG1-CD2 3.77Å; V75-L78 HydrophobicContact CG1-CG 3.71Å; V75-L78 PolarHBondContact O-N 3.23Å | ||
| 76 | Q | 42.4 | Very low | 49 | Very low | 194 Ų | 194 | 86.2 Ų | 86.2 | 91% | 0.907 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.6 | 9.4 | -167.8 | -67.2 | -176.3 | -22 | 0 | 0 | 116.2 | ||
| 77 | D | 44.9 | Very low | 49.6 | Very low | 100 Ų | 100 | 86.3 Ų | 86.3 | 54% | 0.535 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -144 | 21.9 | -174.6 | -152.5 | 4.5 | 0 | 0 | 0 | 113.2 | N16 V75 T79 | N16-D77 HydrophobicContact CB-CB 4.16Å; V75-D77 PolarHBondContact O-N 2.97Å; D77-T79 VanDerWaalsContact C-N 3.28Å; D77-T79 PolarHBondContact O-N 2.96Å |
| 78 | L | 47.8 | Very low | 50.9 | Low | 9 Ų | 9 | 84.7 Ų | 84.7 | 5% | 0.047 | 44% | 0.444 | C | S | . | . | trans | -72.2 | 81.5 | 173.5 | -65.7 | -179.5 | 0 | 0 | 0 | 110.8 | I14 S15 L17 V75 L80 | I14-L78 HydrophobicContact CG2-CD2 4.14Å; S15-L78 WeakPolarHBondContact O-CD2 3.09Å; L17-L78 HydrophobicContact CD2-CD2 4.44Å; V75-L78 HydrophobicContact CB-CD1 3.91Å; V75-L78 HydrophobicContact CB-CD2 4.19Å; V75-L78 HydrophobicContact CB-CG 3.72Å; V75-L78 HydrophobicContact CG1-CD1 4.41Å; V75-L78 HydrophobicContact CG1-CD2 3.77Å; V75-L78 HydrophobicContact CG1-CG 3.71Å; V75-L78 PolarHBondContact O-N 3.23Å; L78-L80 PolarHBondContact O-N 3.03Å | ||
| 79 | T | 48.3 | Very low | 52.8 | Low | 64 Ų | 64 | 80.9 Ų | 80.9 | 39% | 0.393 | 43% | 0.428 | S | S | . | . | trans | -70.6 | 93.7 | 171.7 | -67.2 | 0 | 0 | 0 | 0 | 109.7 | S15 D77 K81 | S15-T79 PolarHBondContact OG-O 3.33Å; D77-T79 VanDerWaalsContact C-N 3.28Å; D77-T79 PolarHBondContact O-N 2.96Å; T79-K81 HydrophobicContact CG2-CD 4.48Å; T79-K81 HydrophobicContact CG2-CG 4.19Å | ||
| 80 | L | 48.8 | Very low | 54.8 | Low | 23 Ų | 23 | 78.2 Ų | 78.2 | 12% | 0.12 | 41% | 0.41 | C | S | . | . | trans | -81.7 | 115.2 | 173.8 | -69 | 174.8 | 0 | 0 | 0 | 110.3 | Y13 I14 I67 L70 L78 | Y13-L80 WeakPolarHBondContact O-CA 3.5Å; I14-L80 HydrophobicContact CB-CD2 4.26Å; I14-L80 HydrophobicContact CG1-CD2 3.76Å; I14-L80 HydrophobicContact CG2-CD2 4.15Å; I67-L80 HydrophobicContact CB-CD1 4.4Å; I67-L80 HydrophobicContact CG1-CD1 4.33Å; I67-L80 HydrophobicContact CG2-CB 4.11Å; I67-L80 HydrophobicContact CG2-CD1 4.09Å; L70-L80 HydrophobicContact CB-CD1 3.67Å; L70-L80 HydrophobicContact CD1-CD1 3.81Å; L70-L80 HydrophobicContact CG-CD1 4.26Å; L78-L80 PolarHBondContact O-N 3.03Å | ||
| 81 | K | 49.2 | Very low | 56.5 | Low | 138 Ų | 138 | 80.5 Ų | 80.5 | 60% | 0.6 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 120.3 | 170.6 | -69.8 | -175.5 | 179 | -177.8 | 0 | 109.6 | Y13 T79 Q83 | Y13-K81 PolarHBondContact N-O 3.03Å; Y13-K81 PolarHBondContact O-N 2.91Å; T79-K81 HydrophobicContact CG2-CD 4.48Å; T79-K81 HydrophobicContact CG2-CG 4.19Å; K81-Q83 PolarHBondContact O-N 3.27Å |
| 82 | Q | 44.3 | Very low | 58.4 | Low | 120 Ų | 120 | 77.7 Ų | 77.7 | 56% | 0.561 | 40% | 0.401 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 111.9 | 165.4 | 177.5 | 172.2 | -12.4 | 0 | 0 | 107.6 | T10 E84 | T10-Q82 HydrophobicContact CG2-CG 4.34Å; Q82-E84 VanDerWaalsContact C-N 3.33Å; Q82-E84 PolarHBondContact O-N 3.02Å; Q82-E84 VanDerWaalsContact O-N 3.11Å |
| 83 | Q | 47.3 | Very low | 60.6 | Low | 79 Ų | 79 | 74.3 Ų | 74.3 | 37% | 0.369 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 86.6 | 174.3 | -172.2 | 171.4 | -11.2 | 0 | 0 | 108.3 | N11 K81 Q85 | N11-Q83 WeakPolarHBondContact O-CB 3.37Å; N11-Q83 PolarHBondContact O-N 3.02Å; K81-Q83 PolarHBondContact O-N 3.27Å; Q83-Q85 PolarHBondContact O-N 2.77Å |
| 84 | E | 49.9 | Very low | 62.5 | Low | 139 Ų | 139 | 71.8 Ų | 71.8 | 65% | 0.65 | 36% | 0.355 | S | S | * | . | trans | -52.9 | 118.1 | 171.3 | -163.1 | 148 | -145.7 | 0 | 0 | 109 | Q82 D86 | Q82-E84 VanDerWaalsContact C-N 3.33Å; Q82-E84 PolarHBondContact O-N 3.02Å; Q82-E84 VanDerWaalsContact O-N 3.11Å; E84-D86 PolarHBondContact O-N 3.48Å | ||
| 85 | Q | 52.6 | Low | 64.7 | Low | 106 Ų | 106 | 63.4 Ų | 63.4 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | trans | -82 | 32 | -174.8 | -78.7 | -85.8 | 9.8 | 0 | 0 | 111.6 | N11 Q83 | N11-Q85 PolarHBondContact ND2-NE2 2.65Å; N11-Q85 VanDerWaalsContact ND2-NE2 3.12Å; Q83-Q85 PolarHBondContact O-N 2.77Å | ||
| 86 | D | 56.8 | Low | 66.6 | Low | 64 Ų | 64 | 61.6 Ų | 61.6 | 34% | 0.342 | 31% | 0.306 | S | S | . | . | trans | -54.2 | 137.7 | 177.4 | -99.3 | -26.2 | 0 | 0 | 0 | 110.4 | E84 T88 T138 | E84-D86 PolarHBondContact O-N 3.48Å; D86-T88 HydrophobicContact CB-CG2 3.84Å; D86-T88 PolarHBondContact O-N 2.97Å; D86-T138 HydrophobicContact CB-CG2 3.82Å | ||
| 87 | P | 66.2 | Low | 68.5 | Low | 66 Ų | 66 | 56.7 Ų | 56.7 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | trans | -72 | 46.7 | 173.4 | 30.1 | -35.3 | 0 | 0 | 0 | 112.4 | N89 T138 F170 | P87-N89 PolarHBondContact O-N 3.42Å; P87-T138 HydrophobicContact CG-CG2 3.83Å; P87-F170 HydrophobicContact CB-CD1 4.07Å; P87-F170 HydrophobicContact CB-CE1 4.38Å; P87-F170 WeakPolarHBondContact O-CD1 3.26Å; P87-F170 VanDerWaalsContact O-CE1 3.31Å; P87-F170 WeakPolarHBondContact O-CE1 3.28Å | ||
| 88 | T | 83.7 | Confident | 70.3 | Confident | 17 Ų | 17 | 54.5 Ų | 54.5 | 10% | 0.104 | 28% | 0.282 | C | S | . | . | trans | -65.4 | 0.7 | 170.9 | 57.8 | 0 | 0 | 0 | 0 | 113.8 | D86 R134 M135 T138 C141 | D86-T88 HydrophobicContact CB-CG2 3.84Å; D86-T88 PolarHBondContact O-N 2.97Å; T88-R134 CarbonylContact O-C 3.55Å; T88-R134 VanDerWaalsContact O-CA 3.3Å; T88-R134 WeakPolarHBondContact O-CA 3.41Å; T88-M135 WeakPolarHBondContact CB-O 3.41Å; T88-M135 PolarHBondContact O-N 3.06Å; T88-T138 HydrophobicContact CG2-CG2 4.43Å; T88-C141 VanDerWaalsContact CA-SG 3.5Å; T88-C141 PolarHBondContact O-SG 2.73Å | ||
| 89 | N | 90.1 | Very high | 72 | Confident | 44 Ų | 44 | 54.4 Ų | 54.4 | 24% | 0.235 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 124.2 | -178.6 | -53 | -88.5 | 0 | 0 | 0 | 109.8 | P87 A133 R134 A171 | P87-N89 PolarHBondContact O-N 3.42Å; N89-A133 CarbonylContact C-O 3.55Å; N89-A133 WeakPolarHBondContact CA-O 3.46Å; N89-R134 VanDerWaalsContact OD1-CZ 3.28Å; N89-R134 PolarHBondContact OD1-NE 2.83Å; N89-R134 PolarHBondContact OD1-NH2 3.49Å; N89-A171 HydrophobicContact CB-CB 4.02Å; N89-A171 WeakPolarHBondContact O-CB 3.28Å; N89-A171 PolarHBondContact O-N 3.2Å |
| 90 | L | 91.4 | Very high | 74 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 145 | 176.5 | -68 | 173.2 | 0 | 0 | 0 | 111.1 | I92 F132 A133 M135 C141 V144 I145 K169 | L90-I92 HydrophobicContact CB-CG1 4.41Å; L90-F132 VanDerWaalsContact O-CA 3.29Å; L90-F132 WeakPolarHBondContact O-CA 3.45Å; L90-A133 HydrophobicContact CB-CB 4.48Å; L90-A133 PolarHBondContact N-O 2.93Å; L90-A133 PolarHBondContact O-N 2.72Å; L90-A133 VanDerWaalsContact O-N 3.13Å; L90-M135 HydrophobicContact CD1-CG 3.75Å; L90-M135 HydrophobicContact CD1-SD 4.13Å; L90-M135 HydrophobicContact CG-CG 4.43Å; L90-C141 HydrophobicContact CD2-CB 3.68Å; L90-C141 HydrophobicContact CG-CB 4.17Å; L90-V144 HydrophobicContact CD1-CB 3.83Å; L90-V144 HydrophobicContact CD1-CG1 3.43Å; L90-V144 VanDerWaalsContact CD1-CG1 3.43Å; L90-V144 HydrophobicContact CD1-CG2 4.31Å; L90-I145 HydrophobicContact CD2-CD1 3.71Å; L90-I145 HydrophobicContact CD2-CG1 3.74Å; L90-K169 WeakPolarHBondContact CA-O 3.43Å |
| 91 | Y | 92.1 | Very high | 75.9 | Confident | 57 Ų | 57 | 56.3 Ų | 56.3 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 127.5 | 165.2 | 172.6 | -83.2 | 0 | 0 | 0 | 107.9 | V130 F132 L167 K169 | Y91-V130 HydrophobicContact CD2-CG1 4.24Å; Y91-V130 HydrophobicContact CE2-CG1 3.46Å; Y91-V130 VanDerWaalsContact CE2-CG1 3.46Å; Y91-F132 HydrophobicContact CD2-CD1 4.48Å; Y91-F132 AromaticContact CD2-CE1 3.78Å; Y91-F132 HydrophobicContact CD2-CE1 3.78Å; Y91-F132 HydrophobicContact CD2-CE2 4.35Å; Y91-F132 AromaticContact CD2-CZ 3.71Å; Y91-F132 HydrophobicContact CD2-CZ 3.71Å; Y91-F132 HydrophobicContact CE2-CZ 4.23Å; Y91-L167 HydrophobicContact CE1-CD2 4.39Å; Y91-K169 HydrophobicContact CD1-CD 4.32Å; Y91-K169 HydrophobicContact CD1-CG 3.89Å; Y91-K169 HydrophobicContact CG-CG 4.4Å; Y91-K169 PolarHBondContact N-O 3.5Å; Y91-K169 PolarHBondContact O-N 3.43Å; Y91-K169 VanDerWaalsContact O-O 3.13Å |
| 92 | I | 91.4 | Very high | 77.9 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 119.2 | -177.4 | -57 | 172.5 | 0 | 0 | 0 | 107.2 | L90 L95 L104 L108 V130 G131 A133 L167 | L90-I92 HydrophobicContact CB-CG1 4.41Å; I92-L95 HydrophobicContact CG2-CD1 4.12Å; I92-L95 HydrophobicContact CG2-CD2 3.82Å; I92-L95 HydrophobicContact CG2-CG 3.98Å; I92-L104 HydrophobicContact CD1-CD1 3.91Å; I92-L108 HydrophobicContact CD1-CD1 3.96Å; I92-L108 HydrophobicContact CD1-CD2 4.25Å; I92-V130 CarbonylContact O-C 3.45Å; I92-V130 WeakPolarHBondContact O-CA 3.47Å; I92-G131 PolarHBondContact N-O 3.22Å; I92-G131 PolarHBondContact O-N 2.79Å; I92-G131 VanDerWaalsContact O-O 3.11Å; I92-A133 HydrophobicContact CD1-CB 4.29Å; I92-L167 CarbonylContact C-O 3.53Å; I92-L167 VanDerWaalsContact CA-O 3.3Å; I92-L167 WeakPolarHBondContact CA-O 3.28Å |
| 93 | S | 90.1 | Very high | 80 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 172 | 172.8 | 75.3 | 0 | 0 | 0 | 0 | 112.6 | L95 G129 L167 | S93-L95 VanDerWaalsContact C-N 3.28Å; S93-G129 CarbonylContact C-O 3.51Å; S93-G129 WeakPolarHBondContact CA-O 3.48Å; S93-L167 PolarHBondContact N-O 3.24Å; S93-L167 PolarHBondContact O-N 3.02Å |
| 94 | N | 89 | Confident | 82 | Confident | 48 Ų | 48 | 51.7 Ų | 51.7 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | S | Bend | trans | 68.6 | 29.4 | -173.6 | -52.8 | -1.1 | 0 | 0 | 0 | 112.2 | G129 E164 P165 | N94-G129 PolarHBondContact N-O 3.3Å; N94-E164 HydrophobicContact CB-CB 4.36Å; N94-E164 VanDerWaalsContact ND2-CB 3.28Å; N94-E164 WeakPolarHBondContact ND2-CB 3.34Å; N94-E164 PolarHBondContact ND2-OE2 3.05Å; N94-P165 VanDerWaalsContact CB-O 3.29Å; N94-P165 WeakPolarHBondContact CB-O 3.44Å; N94-P165 PolarHBondContact ND2-O 3.27Å |
| 95 | L | 87.5 | Confident | 83.9 | Confident | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.042 | 25% | 0.251 | C | S | . | . | trans | -70.3 | 148.1 | 167.6 | -63.4 | 165.5 | 0 | 0 | 0 | 110 | I92 S93 M99 L104 M107 G129 L166 | I92-L95 HydrophobicContact CG2-CD1 4.12Å; I92-L95 HydrophobicContact CG2-CD2 3.82Å; I92-L95 HydrophobicContact CG2-CG 3.98Å; S93-L95 VanDerWaalsContact C-N 3.28Å; L95-M99 HydrophobicContact CB-SD 4.47Å; L95-M99 HydrophobicContact CD2-SD 3.62Å; L95-L104 HydrophobicContact CD1-CD1 4.3Å; L95-L104 HydrophobicContact CD1-CD2 4.23Å; L95-L104 HydrophobicContact CD2-CD1 4.06Å; L95-M107 HydrophobicContact CD2-CE 4.41Å; L95-G129 PolarHBondContact N-O 3.42Å; L95-G129 WeakPolarHBondContact O-CA 3.19Å; L95-L166 HydrophobicContact CD2-CD2 3.72Å; L95-L166 HydrophobicContact CG-CD2 4.33Å | ||
| 96 | P | 84.4 | Confident | 85.6 | Confident | 10 Ų | 10 | 47.4 Ų | 47.4 | 7% | 0.065 | 25% | 0.251 | C | S | . | . | trans | -59.1 | 148.4 | 171.6 | -17.4 | 27.1 | 0 | 0 | 0 | 112.2 | S98 M99 L153 T155 P162 | P96-S98 PolarHBondContact O-N 2.89Å; P96-M99 HydrophobicContact CB-CB 4.2Å; P96-M99 HydrophobicContact CG-CB 4.23Å; P96-M99 HydrophobicContact CG-SD 4.5Å; P96-M99 WeakPolarHBondContact O-CB 3.19Å; P96-M99 PolarHBondContact O-N 2.93Å; P96-L153 HydrophobicContact CG-CD2 3.61Å; P96-T155 HydrophobicContact CB-CG2 4.26Å; P96-T155 HydrophobicContact CG-CG2 3.9Å; P96-P162 HydrophobicContact CG-CG 4Å | ||
| 97 | V | 83.6 | Confident | 87 | Confident | 91 Ų | 91 | 45.4 Ų | 45.4 | 55% | 0.552 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -23.7 | 175.6 | 179.8 | 0 | 0 | 0 | 0 | 112.1 | V126 S127 | V97-V126 HydrophobicContact CG1-CG1 3.54Å; V97-S127 VanDerWaalsContact O-CB 3.28Å; V97-S127 WeakPolarHBondContact O-CB 3.21Å |
| 98 | S | 82.3 | Confident | 88.1 | Confident | 54 Ų | 54 | 42.3 Ų | 42.3 | 38% | 0.378 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.3 | 175.1 | 62 | 0 | 0 | 0 | 0 | 114.7 | P96 I159 | P96-S98 PolarHBondContact O-N 2.89Å; S98-I159 WeakPolarHBondContact OG-CD1 3.06Å |
| 99 | M | 83.9 | Confident | 88.3 | Confident | 7 Ų | 7 | 46.4 Ų | 46.4 | 3% | 0.034 | 24% | 0.236 | C | C | . | . | trans | -83 | 128.9 | -170.8 | -164.8 | 171.5 | -165.4 | 0 | 0 | 110.7 | L95 P96 E103 M107 I119 L153 | L95-M99 HydrophobicContact CB-SD 4.47Å; L95-M99 HydrophobicContact CD2-SD 3.62Å; P96-M99 HydrophobicContact CB-CB 4.2Å; P96-M99 HydrophobicContact CG-CB 4.23Å; P96-M99 HydrophobicContact CG-SD 4.5Å; P96-M99 WeakPolarHBondContact O-CB 3.19Å; P96-M99 PolarHBondContact O-N 2.93Å; M99-E103 WeakPolarHBondContact CA-OE2 3.34Å; M99-E103 HydrophobicContact CE-CB 3.82Å; M99-E103 HydrophobicContact CG-CB 3.83Å; M99-E103 WeakPolarHBondContact CG-OE2 3.1Å; M99-M107 HydrophobicContact CE-CB 4.35Å; M99-M107 HydrophobicContact CE-SD 4.29Å; M99-I119 WeakPolarHBondContact O-CD1 3.36Å; M99-L153 HydrophobicContact CE-CD2 3.9Å; M99-L153 HydrophobicContact SD-CD2 3.56Å; M99-L153 VanDerWaalsContact SD-CD2 3.56Å | ||
| 100 | D | 89.2 | Confident | 88.2 | Confident | 75 Ų | 75 | 49 Ų | 49 | 40% | 0.401 | 26% | 0.255 | S | S | . | . | trans | -103.2 | 163.7 | -178.9 | -77.8 | -32.3 | 0 | 0 | 0 | 112.5 | Q102 E103 L104 I119 R121 | D100-Q102 PolarHBondContact O-N 3.44Å; D100-Q102 VanDerWaalsContact O-N 3.09Å; D100-E103 PolarHBondContact O-N 3.23Å; D100-L104 PolarHBondContact O-N 3.02Å; D100-I119 VanDerWaalsContact C-CD1 3.46Å; D100-R121 IonicContact OD1-CZ 3.4Å; D100-R121 IonicContact OD1-NH1 3.13Å; D100-R121 PolarHBondContact OD1-NH1 3.17Å; D100-R121 VanDerWaalsContact OD1-NH1 3.16Å; D100-R121 IonicContact OD1-NH2 2.68Å; D100-R121 PolarHBondContact OD1-NH2 2.88Å | ||
| 101 | E | 90.2 | Very high | 87.9 | Confident | 51 Ų | 51 | 50.5 Ų | 50.5 | 24% | 0.238 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -51.5 | -34.1 | -179.3 | -80.6 | 81.2 | 176 | 0 | 0 | 114.1 | E105 T117 I119 R121 | E101-E105 WeakPolarHBondContact O-CB 3.49Å; E101-E105 PolarHBondContact O-N 2.87Å; E101-T117 PolarHBondContact O-OG1 3.01Å; E101-I119 HydrophobicContact CG-CB 4.48Å; E101-I119 HydrophobicContact CG-CG1 4.21Å; E101-I119 WeakPolarHBondContact OE1-CB 3.39Å; E101-I119 PolarHBondContact OE1-N 3.32Å; E101-R121 IonicContact OE1-NH2 3.16Å; E101-R121 IonicContact OE2-CZ 2.96Å; E101-R121 IonicContact OE2-NE 2.68Å; E101-R121 IonicContact OE2-NH2 4Å; E101-R121 PolarHBondContact OE2-NH2 3.46Å |
| 102 | Q | 89.9 | Confident | 87.6 | Confident | 147 Ų | 147 | 48.1 Ų | 48.1 | 69% | 0.687 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -73.4 | -36.9 | 178 | -61.6 | -175.3 | 21.7 | 0 | 0 | 112.7 | D100 L104 E105 N106 | D100-Q102 PolarHBondContact O-N 3.44Å; D100-Q102 VanDerWaalsContact O-N 3.09Å; Q102-L104 VanDerWaalsContact C-N 3.34Å; Q102-E105 PolarHBondContact O-N 2.84Å; Q102-N106 WeakPolarHBondContact O-CB 3.36Å; Q102-N106 PolarHBondContact O-N 2.9Å; Q102-N106 PolarHBondContact O-ND2 3.48Å |
| 103 | E | 88.1 | Confident | 87.4 | Confident | 93 Ų | 93 | 54 Ų | 54 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -68.6 | -39 | 175.1 | -61.5 | -165.5 | 136.8 | 0 | 0 | 110.4 | M99 D100 N106 M107 | M99-E103 WeakPolarHBondContact CA-OE2 3.34Å; M99-E103 HydrophobicContact CE-CB 3.82Å; M99-E103 HydrophobicContact CG-CB 3.83Å; M99-E103 WeakPolarHBondContact CG-OE2 3.1Å; D100-E103 PolarHBondContact O-N 3.23Å; E103-N106 PolarHBondContact O-N 3.39Å; E103-M107 WeakPolarHBondContact O-CB 3.48Å; E103-M107 PolarHBondContact O-N 3.08Å |
| 104 | L | 88.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 174.1 | -178.1 | 57.2 | 0 | 0 | 0 | 111.5 | I92 L95 D100 Q102 M107 L108 T117 I119 | I92-L104 HydrophobicContact CD1-CD1 3.91Å; L95-L104 HydrophobicContact CD1-CD1 4.3Å; L95-L104 HydrophobicContact CD1-CD2 4.23Å; L95-L104 HydrophobicContact CD2-CD1 4.06Å; D100-L104 PolarHBondContact O-N 3.02Å; Q102-L104 VanDerWaalsContact C-N 3.34Å; L104-M107 HydrophobicContact CD1-CE 3.75Å; L104-M107 PolarHBondContact O-N 3.32Å; L104-L108 HydrophobicContact CD1-CD1 4.25Å; L104-L108 HydrophobicContact CG-CD1 4.39Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 2.91Å; L104-L108 PolarHBondContact O-N 3.36Å; L104-T117 HydrophobicContact CD2-CG2 4.44Å; L104-T117 HydrophobicContact CG-CG2 4.15Å; L104-I119 HydrophobicContact CD2-CD1 4.34Å; L104-I119 HydrophobicContact CD2-CG1 3.98Å |
| 105 | E | 90.7 | Very high | 87.4 | Confident | 63 Ų | 63 | 56.5 Ų | 56.5 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.5 | -46.4 | 174.4 | -167.9 | -166.3 | 120.1 | 0 | 0 | 111.4 | E101 Q102 M107 L108 K109 V114 T117 | E101-E105 WeakPolarHBondContact O-CB 3.49Å; E101-E105 PolarHBondContact O-N 2.87Å; Q102-E105 PolarHBondContact O-N 2.84Å; E105-M107 VanDerWaalsContact C-N 3.31Å; E105-M107 PolarHBondContact O-N 3.3Å; E105-L108 PolarHBondContact O-N 3.19Å; E105-L108 VanDerWaalsContact O-N 3.08Å; E105-K109 WeakPolarHBondContact O-CG 3.4Å; E105-K109 PolarHBondContact O-N 3.34Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 2.64Å; E105-K109 PolarHBondContact OE1-NZ 3.42Å; E105-V114 HydrophobicContact CG-CB 4.16Å; E105-V114 HydrophobicContact CG-CG1 4.26Å; E105-V114 HydrophobicContact CG-CG2 4.49Å; E105-T117 HydrophobicContact CB-CG2 3.87Å; E105-T117 HydrophobicContact CG-CG2 4.39Å |
| 106 | N | 89 | Confident | 87.4 | Confident | 92 Ų | 92 | 59 Ų | 59 | 49% | 0.492 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -65.7 | -30.7 | 179.3 | -70.7 | -24.9 | 0 | 0 | 0 | 113.3 | Q102 E103 L108 K109 P110 | Q102-N106 WeakPolarHBondContact O-CB 3.36Å; Q102-N106 PolarHBondContact O-N 2.9Å; Q102-N106 PolarHBondContact O-ND2 3.48Å; E103-N106 PolarHBondContact O-N 3.39Å; N106-L108 VanDerWaalsContact C-N 3.32Å; N106-K109 PolarHBondContact OD1-NZ 3Å; N106-P110 WeakPolarHBondContact O-CD 3.43Å |
| 107 | M | 86.1 | Confident | 87.8 | Confident | 23 Ų | 23 | 59.9 Ų | 59.9 | 11% | 0.113 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.5 | -33.2 | 171.5 | -175.9 | 178.6 | 68.9 | 0 | 0 | 112.4 | L95 M99 E103 L104 E105 P110 F148 L153 L166 | L95-M107 HydrophobicContact CD2-CE 4.41Å; M99-M107 HydrophobicContact CE-CB 4.35Å; M99-M107 HydrophobicContact CE-SD 4.29Å; E103-M107 WeakPolarHBondContact O-CB 3.48Å; E103-M107 PolarHBondContact O-N 3.08Å; L104-M107 HydrophobicContact CD1-CE 3.75Å; L104-M107 PolarHBondContact O-N 3.32Å; E105-M107 VanDerWaalsContact C-N 3.31Å; E105-M107 PolarHBondContact O-N 3.3Å; M107-P110 WeakPolarHBondContact O-CD 3.22Å; M107-P110 WeakPolarHBondContact O-CG 3.29Å; M107-F148 HydrophobicContact CG-CD1 4.25Å; M107-F148 HydrophobicContact CG-CE1 3.48Å; M107-F148 VanDerWaalsContact CG-CE1 3.48Å; M107-F148 HydrophobicContact CG-CE2 4.14Å; M107-F148 HydrophobicContact CG-CZ 3.42Å; M107-F148 VanDerWaalsContact CG-CZ 3.42Å; M107-F148 WeakPolarHBondContact O-CE2 3.3Å; M107-F148 WeakPolarHBondContact O-CZ 3.48Å; M107-F148 HydrophobicContact SD-CD1 3.95Å; M107-F148 HydrophobicContact SD-CE1 3.7Å; M107-F148 HydrophobicContact SD-CZ 4.22Å; M107-L153 HydrophobicContact SD-CD1 3.57Å; M107-L153 VanDerWaalsContact SD-CD1 3.57Å; M107-L166 HydrophobicContact SD-CD1 4.2Å |
| 108 | L | 88.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -91.2 | -31.9 | -173.7 | -67.4 | 174.9 | 0 | 0 | 0 | 113.8 | I92 L104 E105 N106 P110 L111 G112 V114 A133 M135 V144 F148 | I92-L108 HydrophobicContact CD1-CD1 3.96Å; I92-L108 HydrophobicContact CD1-CD2 4.25Å; L104-L108 HydrophobicContact CD1-CD1 4.25Å; L104-L108 HydrophobicContact CG-CD1 4.39Å; L104-L108 VanDerWaalsContact O-CG 3.27Å; L104-L108 WeakPolarHBondContact O-CG 2.91Å; L104-L108 PolarHBondContact O-N 3.36Å; E105-L108 PolarHBondContact O-N 3.19Å; E105-L108 VanDerWaalsContact O-N 3.08Å; N106-L108 VanDerWaalsContact C-N 3.32Å; L108-P110 VanDerWaalsContact C-N 3.35Å; L108-P110 VanDerWaalsContact O-N 3.16Å; L108-L111 PolarHBondContact O-N 3.49Å; L108-G112 PolarHBondContact O-N 2.93Å; L108-V114 HydrophobicContact CB-CG2 3.59Å; L108-A133 HydrophobicContact CD1-CB 3.42Å; L108-A133 VanDerWaalsContact CD1-CB 3.42Å; L108-M135 HydrophobicContact CD1-SD 4.48Å; L108-V144 HydrophobicContact CD2-CB 4.4Å; L108-V144 HydrophobicContact CD2-CG1 3.41Å; L108-V144 VanDerWaalsContact CD2-CG1 3.41Å; L108-V144 HydrophobicContact CD2-CG2 4.02Å; L108-F148 HydrophobicContact CD2-CD2 4.36Å; L108-F148 HydrophobicContact CD2-CE2 4.39Å |
| 109 | K | 87.6 | Confident | 88.6 | Confident | 103 Ų | 103 | 61.7 Ų | 61.7 | 45% | 0.448 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -40.3 | -44.5 | 174.2 | -85.9 | 174.9 | -174.8 | 151.9 | 0 | 116.5 | E105 N106 L111 | E105-K109 WeakPolarHBondContact O-CG 3.4Å; E105-K109 PolarHBondContact O-N 3.34Å; E105-K109 WeakPolarHBondContact OE1-CE 3.15Å; E105-K109 IonicContact OE1-NZ 2.64Å; E105-K109 PolarHBondContact OE1-NZ 3.42Å; N106-K109 PolarHBondContact OD1-NZ 3Å; K109-L111 PolarHBondContact O-N 2.81Å; K109-L111 VanDerWaalsContact O-N 3.16Å |
| 110 | P | 88.2 | Confident | 88.9 | Confident | 99 Ų | 99 | 64 Ų | 64 | 64% | 0.643 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -10.6 | -178.8 | 24.7 | -35.6 | 0 | 0 | 0 | 115 | N106 M107 L108 | N106-P110 WeakPolarHBondContact O-CD 3.43Å; M107-P110 WeakPolarHBondContact O-CD 3.22Å; M107-P110 WeakPolarHBondContact O-CG 3.29Å; L108-P110 VanDerWaalsContact C-N 3.35Å; L108-P110 VanDerWaalsContact O-N 3.16Å |
| 111 | L | 85.3 | Confident | 89.1 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 17% | 0.168 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | -33.1 | 179.5 | -57.1 | -176.1 | 0 | 0 | 0 | 112.7 | L108 K109 K140 V143 V144 H147 F148 | L108-L111 PolarHBondContact O-N 3.49Å; K109-L111 PolarHBondContact O-N 2.81Å; K109-L111 VanDerWaalsContact O-N 3.16Å; L111-K140 WeakPolarHBondContact O-CD 3.42Å; L111-K140 PolarHBondContact O-NZ 2.87Å; L111-V143 HydrophobicContact CB-CG1 4.28Å; L111-V143 HydrophobicContact CD1-CG1 4.42Å; L111-V143 HydrophobicContact CD2-CG1 4.21Å; L111-V144 HydrophobicContact CB-CG2 3.94Å; L111-V144 HydrophobicContact CD1-CB 4.31Å; L111-V144 HydrophobicContact CD1-CG2 3.85Å; L111-H147 HydrophobicContact CD1-CB 3.6Å; L111-H147 HydrophobicContact CD2-CB 4.47Å; L111-F148 HydrophobicContact CD1-CD2 3.67Å; L111-F148 HydrophobicContact CD1-CE2 3.4Å; L111-F148 VanDerWaalsContact CD1-CE2 3.4Å; L111-F148 HydrophobicContact CG-CE2 4.2Å |
| 112 | G | 85 | Confident | 89.1 | Confident | 7 Ų | 7 | 66.4 Ų | 66.4 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -173.9 | 169.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L108 E136 | L108-G112 PolarHBondContact O-N 2.93Å; G112-E136 VanDerWaalsContact CA-OE1 3.24Å; G112-E136 WeakPolarHBondContact CA-OE1 3.47Å |
| 113 | H | 88.1 | Confident | 89.1 | Confident | 123 Ų | 123 | 64.2 Ų | 64.2 | 57% | 0.569 | 33% | 0.333 | S | S | * | . | trans | -67.8 | 136.5 | 174.9 | -175.5 | 67.6 | 0 | 0 | 0 | 111 | E136 | H113-E136 HydrophobicContact CB-CB 4.18Å; H113-E136 HydrophobicContact CB-CG 4.32Å; H113-E136 WeakPolarHBondContact CB-OE2 2.99Å; H113-E136 PolarHBondContact N-OE1 3Å; H113-E136 PolarHBondContact O-N 2.9Å | ||
| 114 | V | 91.1 | Very high | 89 | Confident | 13 Ų | 13 | 66 Ų | 66 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 115.8 | -176.6 | -172.5 | 0 | 0 | 0 | 0 | 107.9 | E105 L108 T117 R134 M135 | E105-V114 HydrophobicContact CG-CB 4.16Å; E105-V114 HydrophobicContact CG-CG1 4.26Å; E105-V114 HydrophobicContact CG-CG2 4.49Å; L108-V114 HydrophobicContact CB-CG2 3.59Å; V114-T117 HydrophobicContact CG1-CG2 3.71Å; V114-R134 CarbonylContact C-O 3.58Å; V114-M135 HydrophobicContact CG2-CE 4.04Å; V114-M135 HydrophobicContact CG2-SD 4.13Å |
| 115 | I | 88.3 | Confident | 88.8 | Confident | 96 Ų | 96 | 68 Ų | 68 | 49% | 0.492 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -36.7 | 178.9 | -60.5 | -176.9 | 0 | 0 | 0 | 110.7 | R134 M135 | I115-R134 HydrophobicContact CB-CB 4.21Å; I115-R134 HydrophobicContact CB-CG 4.01Å; I115-R134 HydrophobicContact CD1-CG 4.22Å; I115-R134 HydrophobicContact CG1-CG 4.48Å; I115-R134 HydrophobicContact CG2-CG 4.5Å; I115-R134 PolarHBondContact N-O 2.77Å; I115-M135 WeakPolarHBondContact CD1-O 3.39Å |
| 116 | S | 86.9 | Confident | 88.6 | Confident | 60 Ų | 60 | 68.8 Ų | 68.8 | 42% | 0.42 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.7 | 154.8 | 174.6 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | A133 R134 | S116-A133 CarbonylContact O-C 3.55Å; S116-A133 VanDerWaalsContact O-CA 3.31Å; S116-A133 WeakPolarHBondContact O-CA 3.3Å; S116-R134 PolarHBondContact N-O 2.89Å; S116-R134 PolarHBondContact O-N 3.49Å |
| 117 | T | 92.1 | Very high | 88.6 | Confident | 28 Ų | 28 | 64.7 Ų | 64.7 | 17% | 0.172 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 156.9 | 166.3 | 59.9 | 0 | 0 | 0 | 0 | 110.4 | E101 L104 E105 V114 F132 A133 | E101-T117 PolarHBondContact O-OG1 3.01Å; L104-T117 HydrophobicContact CD2-CG2 4.44Å; L104-T117 HydrophobicContact CG-CG2 4.15Å; E105-T117 HydrophobicContact CB-CG2 3.87Å; E105-T117 HydrophobicContact CG-CG2 4.39Å; V114-T117 HydrophobicContact CG1-CG2 3.71Å; T117-F132 CarbonylContact C-O 3.55Å; T117-F132 WeakPolarHBondContact CA-O 3.45Å; T117-A133 HydrophobicContact CG2-CB 4.25Å |
| 118 | R | 91.5 | Very high | 88.6 | Confident | 177 Ų | 177 | 71.5 Ų | 71.5 | 67% | 0.668 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 130.4 | 172.1 | -178.4 | 175.9 | -178.6 | 166.9 | 3.8 | 110.6 | G131 F132 | R118-G131 CarbonylContact O-C 3.58Å; R118-G131 VanDerWaalsContact O-CA 3.29Å; R118-G131 WeakPolarHBondContact O-CA 3.37Å; R118-F132 PolarHBondContact N-O 3.13Å; R118-F132 PolarHBondContact O-N 2.68Å |
| 119 | I | 92.1 | Very high | 88.6 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 3% | 0.031 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 143.5 | 174.4 | -63.9 | -178.7 | 0 | 0 | 0 | 109.8 | M99 D100 E101 L104 R121 S127 | M99-I119 WeakPolarHBondContact O-CD1 3.36Å; D100-I119 VanDerWaalsContact C-CD1 3.46Å; E101-I119 HydrophobicContact CG-CB 4.48Å; E101-I119 HydrophobicContact CG-CG1 4.21Å; E101-I119 WeakPolarHBondContact OE1-CB 3.39Å; E101-I119 PolarHBondContact OE1-N 3.32Å; L104-I119 HydrophobicContact CD2-CD1 4.34Å; L104-I119 HydrophobicContact CD2-CG1 3.98Å; I119-R121 PolarHBondContact O-N 2.75Å; I119-S127 WeakPolarHBondContact CG2-OG 3.22Å |
| 120 | L | 91.1 | Very high | 88.7 | Confident | 55 Ų | 55 | 68 Ų | 68 | 29% | 0.288 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 107.5 | 174.2 | -93.9 | 58.5 | 0 | 0 | 0 | 108.5 | R128 V130 F132 | L120-R128 VanDerWaalsContact O-CB 3.26Å; L120-R128 WeakPolarHBondContact O-CB 3.43Å; L120-R128 WeakPolarHBondContact O-CG 3.31Å; L120-R128 PolarHBondContact O-N 2.87Å; L120-V130 HydrophobicContact CB-CB 4.35Å; L120-V130 HydrophobicContact CD2-CG1 4.17Å; L120-V130 PolarHBondContact N-O 3.33Å; L120-F132 HydrophobicContact CD1-CD2 3.56Å; L120-F132 HydrophobicContact CD1-CE2 3.52Å; L120-F132 HydrophobicContact CD2-CE2 3.94Å; L120-F132 HydrophobicContact CG-CE2 4.4Å |
| 121 | R | 92 | Very high | 88.9 | Confident | 103 Ų | 103 | 63.3 Ų | 63.3 | 39% | 0.389 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 148.3 | 171.6 | -59.2 | 177.2 | -165.9 | -106.9 | 1.3 | 109.4 | D100 E101 I119 G125 V126 | D100-R121 IonicContact OD1-CZ 3.4Å; D100-R121 IonicContact OD1-NH1 3.13Å; D100-R121 PolarHBondContact OD1-NH1 3.17Å; D100-R121 VanDerWaalsContact OD1-NH1 3.16Å; D100-R121 IonicContact OD1-NH2 2.68Å; D100-R121 PolarHBondContact OD1-NH2 2.88Å; E101-R121 IonicContact OE1-NH2 3.16Å; E101-R121 IonicContact OE2-CZ 2.96Å; E101-R121 IonicContact OE2-NE 2.68Å; E101-R121 IonicContact OE2-NH2 4Å; E101-R121 PolarHBondContact OE2-NH2 3.46Å; I119-R121 PolarHBondContact O-N 2.75Å; R121-G125 WeakPolarHBondContact CD-O 3.45Å; R121-V126 CarbonylContact C-O 3.47Å; R121-V126 VanDerWaalsContact CA-O 3.28Å; R121-V126 WeakPolarHBondContact CA-O 3.27Å |
| 122 | D | 90.4 | Very high | 89.2 | Confident | 74 Ų | 74 | 65.3 Ų | 65.3 | 40% | 0.396 | 35% | 0.345 | S | S | . | . | trans | -75.7 | 173 | 175 | -177.3 | 47.1 | 0 | 0 | 0 | 111.4 | N124 G125 V126 R128 | D122-N124 PolarHBondContact O-N 2.83Å; D122-N124 VanDerWaalsContact O-N 3.1Å; D122-N124 PolarHBondContact OD2-ND2 2.86Å; D122-G125 PolarHBondContact O-N 3.12Å; D122-V126 PolarHBondContact N-O 2.81Å; D122-R128 HydrophobicContact CB-CG 4.11Å | ||
| 123 | A | 90.8 | Very high | 89.6 | Confident | 101 Ų | 101 | 65.2 Ų | 65.2 | 84% | 0.835 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -27.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | G125 | A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 2.86Å |
| 124 | N | 86.2 | Confident | 89.7 | Confident | 131 Ų | 131 | 63.3 Ų | 63.3 | 70% | 0.701 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | 6.9 | 175.8 | -58.5 | -71.9 | 0 | 0 | 0 | 114.1 | D122 V126 | D122-N124 PolarHBondContact O-N 2.83Å; D122-N124 VanDerWaalsContact O-N 3.1Å; D122-N124 PolarHBondContact OD2-ND2 2.86Å; N124-V126 HydrophobicContact CB-CG2 4.26Å; N124-V126 PolarHBondContact O-N 2.82Å; N124-V126 VanDerWaalsContact O-N 3.17Å |
| 125 | G | 84.6 | Confident | 89.7 | Confident | 43 Ų | 43 | 62.7 Ų | 62.7 | 44% | 0.443 | 33% | 0.327 | S | S | . | . | S | Bend | trans | 76.6 | -10.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R121 D122 A123 | R121-G125 WeakPolarHBondContact CD-O 3.45Å; D122-G125 PolarHBondContact O-N 3.12Å; A123-G125 VanDerWaalsContact C-N 3.28Å; A123-G125 PolarHBondContact O-N 2.86Å |
| 126 | V | 86 | Confident | 89.6 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 47% | 0.473 | 32% | 0.324 | S | S | . | . | trans | -68.1 | 132.8 | 179.8 | -176.3 | 0 | 0 | 0 | 0 | 111 | V97 R121 D122 N124 R128 | V97-V126 HydrophobicContact CG1-CG1 3.54Å; R121-V126 CarbonylContact C-O 3.47Å; R121-V126 VanDerWaalsContact CA-O 3.28Å; R121-V126 WeakPolarHBondContact CA-O 3.27Å; D122-V126 PolarHBondContact N-O 2.81Å; N124-V126 HydrophobicContact CB-CG2 4.26Å; N124-V126 PolarHBondContact O-N 2.82Å; N124-V126 VanDerWaalsContact O-N 3.17Å; V126-R128 PolarHBondContact O-N 3.09Å | ||
| 127 | S | 88.1 | Confident | 89.5 | Confident | 7 Ų | 7 | 61 Ų | 61 | 5% | 0.049 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 134.2 | 174.6 | 174.8 | 0 | 0 | 0 | 0 | 111.4 | V97 I119 G129 | V97-S127 VanDerWaalsContact O-CB 3.28Å; V97-S127 WeakPolarHBondContact O-CB 3.21Å; I119-S127 WeakPolarHBondContact CG2-OG 3.22Å; S127-G129 PolarHBondContact O-N 2.81Å; S127-G129 PolarHBondContact OG-N 3.26Å |
| 128 | R | 87.3 | Confident | 89.3 | Confident | 165 Ų | 165 | 61.3 Ų | 61.3 | 62% | 0.623 | 32% | 0.316 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 9.8 | 176.7 | -61.8 | -177.4 | 57.2 | 175.5 | -2.4 | 113.3 | L120 D122 V126 V130 | L120-R128 VanDerWaalsContact O-CB 3.26Å; L120-R128 WeakPolarHBondContact O-CB 3.43Å; L120-R128 WeakPolarHBondContact O-CG 3.31Å; L120-R128 PolarHBondContact O-N 2.87Å; D122-R128 HydrophobicContact CB-CG 4.11Å; V126-R128 PolarHBondContact O-N 3.09Å; R128-V130 PolarHBondContact O-N 2.69Å |
| 129 | G | 87.6 | Confident | 89.2 | Confident | 8 Ų | 8 | 59.7 Ų | 59.7 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 65.4 | 20.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | S93 N94 L95 S127 | S93-G129 CarbonylContact C-O 3.51Å; S93-G129 WeakPolarHBondContact CA-O 3.48Å; N94-G129 PolarHBondContact N-O 3.3Å; L95-G129 PolarHBondContact N-O 3.42Å; L95-G129 WeakPolarHBondContact O-CA 3.19Å; S127-G129 PolarHBondContact O-N 2.81Å; S127-G129 PolarHBondContact OG-N 3.26Å |
| 130 | V | 90.5 | Very high | 89 | Confident | 22 Ų | 22 | 62.6 Ų | 62.6 | 13% | 0.133 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 130.8 | -178.5 | 175.9 | 0 | 0 | 0 | 0 | 109.2 | Y91 I92 L120 R128 F132 | Y91-V130 HydrophobicContact CD2-CG1 4.24Å; Y91-V130 HydrophobicContact CE2-CG1 3.46Å; Y91-V130 VanDerWaalsContact CE2-CG1 3.46Å; I92-V130 CarbonylContact O-C 3.45Å; I92-V130 WeakPolarHBondContact O-CA 3.47Å; L120-V130 HydrophobicContact CB-CB 4.35Å; L120-V130 HydrophobicContact CD2-CG1 4.17Å; L120-V130 PolarHBondContact N-O 3.33Å; R128-V130 PolarHBondContact O-N 2.69Å; V130-F132 HydrophobicContact CG1-CE2 4.47Å |
| 131 | G | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 160.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I92 R118 | I92-G131 PolarHBondContact N-O 3.22Å; I92-G131 PolarHBondContact O-N 2.79Å; I92-G131 VanDerWaalsContact O-O 3.11Å; R118-G131 CarbonylContact O-C 3.58Å; R118-G131 VanDerWaalsContact O-CA 3.29Å; R118-G131 WeakPolarHBondContact O-CA 3.37Å |
| 132 | F | 92.4 | Very high | 88.9 | Confident | 75 Ų | 75 | 60 Ų | 60 | 33% | 0.329 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 144.1 | 168.5 | -67.5 | -95.7 | 0 | 0 | 0 | 108.6 | L90 Y91 T117 R118 L120 V130 A171 | L90-F132 VanDerWaalsContact O-CA 3.29Å; L90-F132 WeakPolarHBondContact O-CA 3.45Å; Y91-F132 HydrophobicContact CD2-CD1 4.48Å; Y91-F132 AromaticContact CD2-CE1 3.78Å; Y91-F132 HydrophobicContact CD2-CE1 3.78Å; Y91-F132 HydrophobicContact CD2-CE2 4.35Å; Y91-F132 AromaticContact CD2-CZ 3.71Å; Y91-F132 HydrophobicContact CD2-CZ 3.71Å; Y91-F132 HydrophobicContact CE2-CZ 4.23Å; T117-F132 CarbonylContact C-O 3.55Å; T117-F132 WeakPolarHBondContact CA-O 3.45Å; R118-F132 PolarHBondContact N-O 3.13Å; R118-F132 PolarHBondContact O-N 2.68Å; L120-F132 HydrophobicContact CD1-CD2 3.56Å; L120-F132 HydrophobicContact CD1-CE2 3.52Å; L120-F132 HydrophobicContact CD2-CE2 3.94Å; L120-F132 HydrophobicContact CG-CE2 4.4Å; V130-F132 HydrophobicContact CG1-CE2 4.47Å; F132-A171 HydrophobicContact CD1-CB 3.89Å; F132-A171 HydrophobicContact CE1-CB 3.95Å |
| 133 | A | 92.1 | Very high | 88.9 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 3% | 0.033 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 151 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | N89 L90 I92 L108 S116 T117 | N89-A133 CarbonylContact C-O 3.55Å; N89-A133 WeakPolarHBondContact CA-O 3.46Å; L90-A133 HydrophobicContact CB-CB 4.48Å; L90-A133 PolarHBondContact N-O 2.93Å; L90-A133 PolarHBondContact O-N 2.72Å; L90-A133 VanDerWaalsContact O-N 3.13Å; I92-A133 HydrophobicContact CD1-CB 4.29Å; L108-A133 HydrophobicContact CD1-CB 3.42Å; L108-A133 VanDerWaalsContact CD1-CB 3.42Å; S116-A133 CarbonylContact O-C 3.55Å; S116-A133 VanDerWaalsContact O-CA 3.31Å; S116-A133 WeakPolarHBondContact O-CA 3.3Å; T117-A133 HydrophobicContact CG2-CB 4.25Å |
| 134 | R | 90.4 | Very high | 88.9 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 32% | 0.317 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.5 | 168.8 | -177.1 | 175 | -68.3 | 179.4 | -2.2 | 109.5 | T88 N89 V114 I115 S116 | T88-R134 CarbonylContact O-C 3.55Å; T88-R134 VanDerWaalsContact O-CA 3.3Å; T88-R134 WeakPolarHBondContact O-CA 3.41Å; N89-R134 VanDerWaalsContact OD1-CZ 3.28Å; N89-R134 PolarHBondContact OD1-NE 2.83Å; N89-R134 PolarHBondContact OD1-NH2 3.49Å; V114-R134 CarbonylContact C-O 3.58Å; I115-R134 HydrophobicContact CB-CB 4.21Å; I115-R134 HydrophobicContact CB-CG 4.01Å; I115-R134 HydrophobicContact CD1-CG 4.22Å; I115-R134 HydrophobicContact CG1-CG 4.48Å; I115-R134 HydrophobicContact CG2-CG 4.5Å; I115-R134 PolarHBondContact N-O 2.77Å; S116-R134 PolarHBondContact N-O 2.89Å; S116-R134 PolarHBondContact O-N 3.49Å |
| 135 | M | 90.9 | Very high | 89.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 169.7 | 174.8 | -54.6 | -53.8 | -62.5 | 0 | 0 | 111.2 | T88 L90 L108 V114 I115 S137 K140 V144 | T88-M135 WeakPolarHBondContact CB-O 3.41Å; T88-M135 PolarHBondContact O-N 3.06Å; L90-M135 HydrophobicContact CD1-CG 3.75Å; L90-M135 HydrophobicContact CD1-SD 4.13Å; L90-M135 HydrophobicContact CG-CG 4.43Å; L108-M135 HydrophobicContact CD1-SD 4.48Å; V114-M135 HydrophobicContact CG2-CE 4.04Å; V114-M135 HydrophobicContact CG2-SD 4.13Å; I115-M135 WeakPolarHBondContact CD1-O 3.39Å; M135-S137 VanDerWaalsContact C-N 3.35Å; M135-K140 HydrophobicContact CB-CB 4.09Å; M135-K140 HydrophobicContact CE-CB 4.38Å; M135-V144 HydrophobicContact CE-CG2 3.95Å; M135-V144 HydrophobicContact SD-CG2 4.18Å |
| 136 | E | 87.3 | Confident | 89.4 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 42% | 0.416 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -65.9 | -29.2 | 171.6 | 65.4 | -164.9 | 144.5 | 0 | 0 | 114.6 | G112 H113 K140 | G112-E136 VanDerWaalsContact CA-OE1 3.24Å; G112-E136 WeakPolarHBondContact CA-OE1 3.47Å; H113-E136 HydrophobicContact CB-CB 4.18Å; H113-E136 HydrophobicContact CB-CG 4.32Å; H113-E136 WeakPolarHBondContact CB-OE2 2.99Å; H113-E136 PolarHBondContact N-OE1 3Å; H113-E136 PolarHBondContact O-N 2.9Å; E136-K140 HydrophobicContact CG-CB 4.45Å; E136-K140 HydrophobicContact CG-CG 3.75Å; E136-K140 WeakPolarHBondContact OE1-CE 3.45Å |
| 137 | S | 84.1 | Confident | 89.4 | Confident | 31 Ų | 31 | 55 Ų | 55 | 22% | 0.217 | 26% | 0.26 | C | S | . | . | trans | -153.8 | 157 | -173.1 | 162.8 | 0 | 0 | 0 | 0 | 111.7 | M135 E139 K140 C141 | M135-S137 VanDerWaalsContact C-N 3.35Å; S137-E139 PolarHBondContact OG-N 2.8Å; S137-K140 WeakPolarHBondContact O-CB 2.98Å; S137-K140 PolarHBondContact O-N 2.69Å; S137-C141 PolarHBondContact O-N 3.09Å | ||
| 138 | T | 86.9 | Confident | 89.3 | Confident | 35 Ų | 35 | 55.8 Ų | 55.8 | 22% | 0.215 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.1 | -38 | 175 | 49.2 | 0 | 0 | 0 | 0 | 112.6 | D86 P87 T88 K140 C141 E142 | D86-T138 HydrophobicContact CB-CG2 3.82Å; P87-T138 HydrophobicContact CG-CG2 3.83Å; T88-T138 HydrophobicContact CG2-CG2 4.43Å; T138-K140 PolarHBondContact O-N 2.81Å; T138-C141 WeakPolarHBondContact O-CA 3.11Å; T138-C141 VanDerWaalsContact O-CB 3.26Å; T138-C141 WeakPolarHBondContact O-CB 3.46Å; T138-C141 PolarHBondContact O-N 3.13Å; T138-E142 PolarHBondContact O-N 3.43Å |
| 139 | E | 89.3 | Confident | 89.4 | Confident | 142 Ų | 142 | 51.6 Ų | 51.6 | 66% | 0.664 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -57.2 | -39.7 | 174 | -58.8 | 179.4 | 158.2 | 0 | 0 | 111.2 | S137 E142 V143 | S137-E139 PolarHBondContact OG-N 2.8Å; E139-E142 PolarHBondContact O-N 2.84Å; E139-V143 WeakPolarHBondContact O-CG2 3.31Å; E139-V143 PolarHBondContact O-N 3.03Å |
| 140 | K | 89.9 | Confident | 89.2 | Confident | 68 Ų | 68 | 53.4 Ų | 53.4 | 30% | 0.296 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.4 | -35.4 | 177 | -60.4 | -58.4 | -157.8 | 161.5 | 0 | 111.9 | L111 M135 E136 S137 T138 V143 V144 | L111-K140 WeakPolarHBondContact O-CD 3.42Å; L111-K140 PolarHBondContact O-NZ 2.87Å; M135-K140 HydrophobicContact CB-CB 4.09Å; M135-K140 HydrophobicContact CE-CB 4.38Å; E136-K140 HydrophobicContact CG-CB 4.45Å; E136-K140 HydrophobicContact CG-CG 3.75Å; E136-K140 WeakPolarHBondContact OE1-CE 3.45Å; S137-K140 WeakPolarHBondContact O-CB 2.98Å; S137-K140 PolarHBondContact O-N 2.69Å; T138-K140 PolarHBondContact O-N 2.81Å; K140-V143 PolarHBondContact O-N 3.33Å; K140-V144 WeakPolarHBondContact O-CB 3.29Å; K140-V144 WeakPolarHBondContact O-CG2 3.47Å; K140-V144 PolarHBondContact O-N 3.2Å |
| 141 | C | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.5 | -44 | 170.2 | -71 | 0 | 0 | 0 | 0 | 112 | T88 L90 S137 T138 V144 I145 F170 | T88-C141 VanDerWaalsContact CA-SG 3.5Å; T88-C141 PolarHBondContact O-SG 2.73Å; L90-C141 HydrophobicContact CD2-CB 3.68Å; L90-C141 HydrophobicContact CG-CB 4.17Å; S137-C141 PolarHBondContact O-N 3.09Å; T138-C141 WeakPolarHBondContact O-CA 3.11Å; T138-C141 VanDerWaalsContact O-CB 3.26Å; T138-C141 WeakPolarHBondContact O-CB 3.46Å; T138-C141 PolarHBondContact O-N 3.13Å; C141-V144 PolarHBondContact O-N 2.84Å; C141-I145 WeakPolarHBondContact O-CB 3.48Å; C141-I145 WeakPolarHBondContact O-CD1 3.41Å; C141-I145 WeakPolarHBondContact O-CG1 3.42Å; C141-I145 PolarHBondContact O-N 3.49Å; C141-F170 HydrophobicContact CB-CD1 4.14Å; C141-F170 HydrophobicContact CB-CE1 3.39Å; C141-F170 HydrophobicContact CB-CZ 3.94Å |
| 142 | E | 90.2 | Very high | 88 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 48% | 0.481 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 177.3 | -66.1 | -164 | 179.3 | 0 | 0 | 112.1 | T138 E139 V144 I145 Q146 F170 | T138-E142 PolarHBondContact O-N 3.43Å; E139-E142 PolarHBondContact O-N 2.84Å; E142-V144 VanDerWaalsContact C-N 3.34Å; E142-V144 PolarHBondContact O-N 3.05Å; E142-I145 PolarHBondContact O-N 3.13Å; E142-Q146 WeakPolarHBondContact O-CB 3.49Å; E142-Q146 VanDerWaalsContact O-CG 3.29Å; E142-Q146 WeakPolarHBondContact O-CG 3.34Å; E142-Q146 PolarHBondContact O-N 2.82Å; E142-F170 HydrophobicContact CG-CE2 4.23Å; E142-F170 HydrophobicContact CG-CZ 3.81Å |
| 143 | V | 91.1 | Very high | 87 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 40% | 0.4 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.3 | -41.3 | 175.7 | 174.4 | 0 | 0 | 0 | 0 | 111.4 | L111 E139 K140 H147 | L111-V143 HydrophobicContact CB-CG1 4.28Å; L111-V143 HydrophobicContact CD1-CG1 4.42Å; L111-V143 HydrophobicContact CD2-CG1 4.21Å; E139-V143 WeakPolarHBondContact O-CG2 3.31Å; E139-V143 PolarHBondContact O-N 3.03Å; K140-V143 PolarHBondContact O-N 3.33Å; V143-H147 WeakPolarHBondContact O-CB 3.3Å; V143-H147 PolarHBondContact O-N 3.44Å |
| 144 | V | 90.1 | Very high | 85.6 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -62.9 | -44.3 | 174.6 | 168.9 | 0 | 0 | 0 | 0 | 111.8 | L90 L108 L111 M135 K140 C141 E142 H147 F148 | L90-V144 HydrophobicContact CD1-CB 3.83Å; L90-V144 HydrophobicContact CD1-CG1 3.43Å; L90-V144 VanDerWaalsContact CD1-CG1 3.43Å; L90-V144 HydrophobicContact CD1-CG2 4.31Å; L108-V144 HydrophobicContact CD2-CB 4.4Å; L108-V144 HydrophobicContact CD2-CG1 3.41Å; L108-V144 VanDerWaalsContact CD2-CG1 3.41Å; L108-V144 HydrophobicContact CD2-CG2 4.02Å; L111-V144 HydrophobicContact CB-CG2 3.94Å; L111-V144 HydrophobicContact CD1-CB 4.31Å; L111-V144 HydrophobicContact CD1-CG2 3.85Å; M135-V144 HydrophobicContact CE-CG2 3.95Å; M135-V144 HydrophobicContact SD-CG2 4.18Å; K140-V144 WeakPolarHBondContact O-CB 3.29Å; K140-V144 WeakPolarHBondContact O-CG2 3.47Å; K140-V144 PolarHBondContact O-N 3.2Å; C141-V144 PolarHBondContact O-N 2.84Å; E142-V144 VanDerWaalsContact C-N 3.34Å; E142-V144 PolarHBondContact O-N 3.05Å; V144-H147 PolarHBondContact O-N 3Å; V144-F148 HydrophobicContact CG1-CD2 4.25Å; V144-F148 WeakPolarHBondContact O-CB 3.46Å; V144-F148 PolarHBondContact O-N 2.98Å |
| 145 | I | 90.8 | Very high | 84.1 | Confident | 30 Ų | 30 | 68.5 Ų | 68.5 | 15% | 0.154 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -62 | -53.3 | 177.5 | -70.9 | 163.2 | 0 | 0 | 0 | 109.8 | L90 C141 E142 H147 F148 N149 C168 F170 | L90-I145 HydrophobicContact CD2-CD1 3.71Å; L90-I145 HydrophobicContact CD2-CG1 3.74Å; C141-I145 WeakPolarHBondContact O-CB 3.48Å; C141-I145 WeakPolarHBondContact O-CD1 3.41Å; C141-I145 WeakPolarHBondContact O-CG1 3.42Å; C141-I145 PolarHBondContact O-N 3.49Å; E142-I145 PolarHBondContact O-N 3.13Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 3.47Å; I145-F148 PolarHBondContact O-N 2.96Å; I145-N149 HydrophobicContact CG2-CB 4.43Å; I145-N149 WeakPolarHBondContact O-CB 3.42Å; I145-N149 PolarHBondContact O-N 3.06Å; I145-C168 HydrophobicContact CG1-CB 4.39Å; I145-F170 HydrophobicContact CD1-CD1 4.37Å; I145-F170 HydrophobicContact CD1-CD2 3.6Å; I145-F170 HydrophobicContact CD1-CE1 4.43Å; I145-F170 HydrophobicContact CD1-CE2 3.64Å; I145-F170 HydrophobicContact CD1-CG 3.99Å; I145-F170 HydrophobicContact CD1-CZ 4.08Å |
| 146 | Q | 90 | Very high | 82.5 | Confident | 151 Ų | 151 | 72.1 Ų | 72.1 | 71% | 0.706 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -60.6 | -35.1 | 179.3 | -68.5 | 174.9 | 24.5 | 0 | 0 | 112.6 | E142 | E142-Q146 WeakPolarHBondContact O-CB 3.49Å; E142-Q146 VanDerWaalsContact O-CG 3.29Å; E142-Q146 WeakPolarHBondContact O-CG 3.34Å; E142-Q146 PolarHBondContact O-N 2.82Å |
| 147 | H | 87.3 | Confident | 80.4 | Confident | 76 Ų | 76 | 74.6 Ų | 74.6 | 35% | 0.352 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -82.1 | -36.5 | -178.3 | -174.7 | -94.8 | 0 | 0 | 0 | 114 | L111 V143 V144 I145 K151 | L111-H147 HydrophobicContact CD1-CB 3.6Å; L111-H147 HydrophobicContact CD2-CB 4.47Å; V143-H147 WeakPolarHBondContact O-CB 3.3Å; V143-H147 PolarHBondContact O-N 3.44Å; V144-H147 PolarHBondContact O-N 3Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 3.47Å; H147-K151 PolarHBondContact CD2-NZ 3.25Å; H147-K151 PolarHBondContact CE1-NZ 3.22Å; H147-K151 PolarHBondContact NE2-NZ 2.91Å; H147-K151 WeakPolarHBondContact O-CD 3.29Å; H147-K151 WeakPolarHBondContact O-CE 3.47Å; H147-K151 PolarHBondContact O-NZ 3.16Å |
| 148 | F | 86.6 | Confident | 79 | Confident | 22 Ų | 22 | 77.1 Ų | 77.1 | 10% | 0.096 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -107.4 | -24.2 | -172.9 | -76.1 | -71.9 | 0 | 0 | 0 | 115.1 | M107 L108 L111 V144 I145 G150 K151 L166 C168 | M107-F148 HydrophobicContact CG-CD1 4.25Å; M107-F148 HydrophobicContact CG-CE1 3.48Å; M107-F148 VanDerWaalsContact CG-CE1 3.48Å; M107-F148 HydrophobicContact CG-CE2 4.14Å; M107-F148 HydrophobicContact CG-CZ 3.42Å; M107-F148 VanDerWaalsContact CG-CZ 3.42Å; M107-F148 WeakPolarHBondContact O-CE2 3.3Å; M107-F148 WeakPolarHBondContact O-CZ 3.48Å; M107-F148 HydrophobicContact SD-CD1 3.95Å; M107-F148 HydrophobicContact SD-CE1 3.7Å; M107-F148 HydrophobicContact SD-CZ 4.22Å; L108-F148 HydrophobicContact CD2-CD2 4.36Å; L108-F148 HydrophobicContact CD2-CE2 4.39Å; L111-F148 HydrophobicContact CD1-CD2 3.67Å; L111-F148 HydrophobicContact CD1-CE2 3.4Å; L111-F148 VanDerWaalsContact CD1-CE2 3.4Å; L111-F148 HydrophobicContact CG-CE2 4.2Å; V144-F148 HydrophobicContact CG1-CD2 4.25Å; V144-F148 WeakPolarHBondContact O-CB 3.46Å; V144-F148 PolarHBondContact O-N 2.98Å; I145-F148 PolarHBondContact O-N 2.96Å; F148-G150 PolarHBondContact O-N 2.9Å; F148-K151 PolarHBondContact O-N 2.68Å; F148-K151 VanDerWaalsContact O-N 3.13Å; F148-L166 HydrophobicContact CD1-CD1 4.3Å; F148-C168 VanDerWaalsContact CB-SG 3.6Å |
| 149 | N | 88.7 | Confident | 77.8 | Confident | 77 Ų | 77 | 78.5 Ų | 78.5 | 41% | 0.412 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | 128.7 | 177.4 | -167.5 | 40.8 | 0 | 0 | 0 | 110.6 | I145 K151 L167 C168 | I145-N149 HydrophobicContact CG2-CB 4.43Å; I145-N149 WeakPolarHBondContact O-CB 3.42Å; I145-N149 PolarHBondContact O-N 3.06Å; N149-K151 VanDerWaalsContact C-N 3.34Å; N149-L167 WeakPolarHBondContact OD1-CA 3.16Å; N149-C168 HydrophobicContact CB-CB 4.04Å; N149-C168 PolarHBondContact OD1-N 3.28Å; N149-C168 PolarHBondContact OD1-O 3.27Å |
| 150 | G | 82.6 | Confident | 76.4 | Confident | 46 Ų | 46 | 77.1 Ų | 77.1 | 47% | 0.474 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.7 | 2.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | F148 P165 L166 | F148-G150 PolarHBondContact O-N 2.9Å; G150-P165 WeakPolarHBondContact O-CB 3.4Å; G150-L166 PolarHBondContact N-O 2.77Å |
| 151 | K | 81.4 | Confident | 74.9 | Confident | 91 Ų | 91 | 77.1 Ų | 77.1 | 40% | 0.396 | 44% | 0.438 | S | S | . | . | P | Polyproline II helix | trans | -93.8 | 140.9 | 174.8 | -70.2 | -168.2 | -177 | 153.6 | 0 | 112.3 | H147 F148 N149 L166 | H147-K151 PolarHBondContact CD2-NZ 3.25Å; H147-K151 PolarHBondContact CE1-NZ 3.22Å; H147-K151 PolarHBondContact NE2-NZ 2.91Å; H147-K151 WeakPolarHBondContact O-CD 3.29Å; H147-K151 WeakPolarHBondContact O-CE 3.47Å; H147-K151 PolarHBondContact O-NZ 3.16Å; F148-K151 PolarHBondContact O-N 2.68Å; F148-K151 VanDerWaalsContact O-N 3.13Å; N149-K151 VanDerWaalsContact C-N 3.34Å; K151-L166 VanDerWaalsContact O-CB 3.3Å; K151-L166 WeakPolarHBondContact O-CB 3.29Å; K151-L166 WeakPolarHBondContact O-CG 3.34Å; K151-L166 PolarHBondContact O-N 2.97Å |
| 152 | Y | 77.3 | Confident | 73.7 | Confident | 146 Ų | 146 | 78.3 Ų | 78.3 | 57% | 0.573 | 45% | 0.445 | S | S | * | . | P | Polyproline II helix | trans | -80.7 | 131.5 | 169.6 | -63.6 | -90.8 | 0 | 0 | 0 | 110 | P165 | Y152-P165 HydrophobicContact CD1-CB 4.38Å; Y152-P165 HydrophobicContact CD2-CB 4.35Å; Y152-P165 HydrophobicContact CE1-CB 4.17Å; Y152-P165 HydrophobicContact CE2-CB 4.12Å; Y152-P165 HydrophobicContact CG-CB 4.47Å |
| 153 | L | 71.9 | Confident | 72.3 | Confident | 39 Ų | 39 | 80 Ų | 80 | 20% | 0.204 | 46% | 0.463 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 131.4 | 172.6 | -164.3 | 75.1 | 0 | 0 | 0 | 109.9 | P96 M99 M107 T155 L166 | P96-L153 HydrophobicContact CG-CD2 3.61Å; M99-L153 HydrophobicContact CE-CD2 3.9Å; M99-L153 HydrophobicContact SD-CD2 3.56Å; M99-L153 VanDerWaalsContact SD-CD2 3.56Å; M107-L153 HydrophobicContact SD-CD1 3.57Å; M107-L153 VanDerWaalsContact SD-CD1 3.57Å; L153-T155 PolarHBondContact O-N 2.81Å; L153-L166 HydrophobicContact CB-CD1 4.27Å; L153-L166 HydrophobicContact CD1-CD1 4.31Å |
| 154 | K | 62.1 | Low | 71.7 | Confident | 197 Ų | 197 | 82.5 Ų | 82.5 | 86% | 0.857 | 47% | 0.47 | S | S | * | . | trans | -76.2 | 102.5 | 171.1 | -65.5 | -175.2 | 180 | -177.4 | 0 | 108.9 | ||||
| 155 | T | 57.8 | Low | 71.4 | Confident | 30 Ų | 30 | 84.5 Ų | 84.5 | 18% | 0.184 | 48% | 0.483 | C | S | . | . | P | Polyproline II helix | trans | -69 | 151.6 | 171.2 | 44.3 | 0 | 0 | 0 | 0 | 111.5 | P96 L153 I159 | P96-T155 HydrophobicContact CB-CG2 4.26Å; P96-T155 HydrophobicContact CG-CG2 3.9Å; L153-T155 PolarHBondContact O-N 2.81Å; T155-I159 HydrophobicContact CG2-CB 4.32Å; T155-I159 HydrophobicContact CG2-CG2 4.04Å; T155-I159 PolarHBondContact OG1-O 3.45Å; T155-I159 VanDerWaalsContact OG1-O 3.05Å |
| 156 | P | 57.5 | Low | 71.3 | Confident | 75 Ų | 75 | 83.2 Ų | 83.2 | 49% | 0.487 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 152.7 | 166.9 | -24.9 | 34.7 | 0 | 0 | 0 | 112.5 | G158 I159 | P156-G158 PolarHBondContact O-N 2.77Å; P156-I159 PolarHBondContact O-N 2.97Å |
| 157 | P | 43.8 | Very low | 71.3 | Confident | 141 Ų | 141 | 79.5 Ų | 79.5 | 92% | 0.916 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 123.5 | 177.8 | -24 | 34.2 | 0 | 0 | 0 | 112 | ||
| 158 | G | 54.8 | Low | 71.4 | Confident | 84 Ų | 84 | 76 Ų | 76 | 87% | 0.866 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 109.1 | -13.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | P156 | P156-G158 PolarHBondContact O-N 2.77Š|
| 159 | I | 62.3 | Low | 71.6 | Confident | 64 Ų | 64 | 78.5 Ų | 78.5 | 33% | 0.328 | 46% | 0.456 | S | S | . | . | S | Bend | trans | -99.6 | 127.3 | 174.2 | -53.2 | -176.8 | 0 | 0 | 0 | 108.8 | S98 T155 P156 A161 | S98-I159 WeakPolarHBondContact OG-CD1 3.06Å; T155-I159 HydrophobicContact CG2-CB 4.32Å; T155-I159 HydrophobicContact CG2-CG2 4.04Å; T155-I159 PolarHBondContact OG1-O 3.45Å; T155-I159 VanDerWaalsContact OG1-O 3.05Å; P156-I159 PolarHBondContact O-N 2.97Å; I159-A161 PolarHBondContact O-N 2.69Å |
| 160 | P | 59.4 | Low | 71.7 | Confident | 113 Ų | 113 | 78.2 Ų | 78.2 | 73% | 0.734 | 45% | 0.451 | S | S | * | . | P | Polyproline II helix | trans | -57.5 | 125.7 | 179.9 | 24 | -33.8 | 0 | 0 | 0 | 110.2 | ||
| 161 | A | 58.9 | Low | 71.9 | Confident | 69 Ų | 69 | 76.6 Ų | 76.6 | 57% | 0.57 | 43% | 0.434 | S | S | * | . | P | Polyproline II helix | trans | -62 | 137.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | I159 T163 | I159-A161 PolarHBondContact O-N 2.69Å; A161-T163 PolarHBondContact O-N 3.21Å; A161-T163 VanDerWaalsContact O-N 3.17Å |
| 162 | P | 62.5 | Low | 71.5 | Confident | 25 Ų | 25 | 78.3 Ų | 78.3 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 121.7 | 175.1 | -26.9 | 35.2 | 0 | 0 | 0 | 111.2 | P96 E164 | P96-P162 HydrophobicContact CG-CG 4Å; P162-E164 PolarHBondContact O-N 2.97Å |
| 163 | T | 62.6 | Low | 70.7 | Confident | 138 Ų | 138 | 74.1 Ų | 74.1 | 85% | 0.847 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -66.4 | -20.6 | -179.9 | -30.6 | 0 | 0 | 0 | 0 | 112.6 | A161 | A161-T163 PolarHBondContact O-N 3.21Å; A161-T163 VanDerWaalsContact O-N 3.17Å |
| 164 | E | 76.6 | Confident | 69.8 | Low | 118 Ų | 118 | 76.1 Ų | 76.1 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -112.2 | 148.3 | 176.9 | -63 | -173.8 | -166.7 | 0 | 0 | 110.6 | N94 P162 | N94-E164 HydrophobicContact CB-CB 4.36Å; N94-E164 VanDerWaalsContact ND2-CB 3.28Å; N94-E164 WeakPolarHBondContact ND2-CB 3.34Å; N94-E164 PolarHBondContact ND2-OE2 3.05Å; P162-E164 PolarHBondContact O-N 2.97Å |
| 165 | P | 84.8 | Confident | 69 | Low | 42 Ų | 42 | 73.6 Ų | 73.6 | 27% | 0.273 | 47% | 0.47 | S | S | . | . | trans | -70 | 159.1 | 172.9 | 31.1 | -34.8 | 0 | 0 | 0 | 111.3 | N94 G150 Y152 L167 | N94-P165 VanDerWaalsContact CB-O 3.29Å; N94-P165 WeakPolarHBondContact CB-O 3.44Å; N94-P165 PolarHBondContact ND2-O 3.27Å; G150-P165 WeakPolarHBondContact O-CB 3.4Å; Y152-P165 HydrophobicContact CD1-CB 4.38Å; Y152-P165 HydrophobicContact CD2-CB 4.35Å; Y152-P165 HydrophobicContact CE1-CB 4.17Å; Y152-P165 HydrophobicContact CE2-CB 4.12Å; Y152-P165 HydrophobicContact CG-CB 4.47Å; P165-L167 PolarHBondContact O-N 2.88Å | ||
| 166 | L | 89.1 | Confident | 68.5 | Low | 3 Ų | 3 | 81.2 Ų | 81.2 | 2% | 0.016 | 50% | 0.5 | C | S | . | . | trans | -58.6 | 130.5 | 171.7 | -68.2 | 166.4 | 0 | 0 | 0 | 110.7 | L95 M107 F148 G150 K151 L153 | L95-L166 HydrophobicContact CD2-CD2 3.72Å; L95-L166 HydrophobicContact CG-CD2 4.33Å; M107-L166 HydrophobicContact SD-CD1 4.2Å; F148-L166 HydrophobicContact CD1-CD1 4.3Å; G150-L166 PolarHBondContact N-O 2.77Å; K151-L166 VanDerWaalsContact O-CB 3.3Å; K151-L166 WeakPolarHBondContact O-CB 3.29Å; K151-L166 WeakPolarHBondContact O-CG 3.34Å; K151-L166 PolarHBondContact O-N 2.97Å; L153-L166 HydrophobicContact CB-CD1 4.27Å; L153-L166 HydrophobicContact CD1-CD1 4.31Å | ||
| 167 | L | 88.6 | Confident | 68 | Low | 74 Ų | 74 | 86.6 Ų | 86.6 | 39% | 0.387 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 109.9 | 169.7 | 176.6 | 69.9 | 0 | 0 | 0 | 108.5 | Y91 I92 S93 N149 P165 | Y91-L167 HydrophobicContact CE1-CD2 4.39Å; I92-L167 CarbonylContact C-O 3.53Å; I92-L167 VanDerWaalsContact CA-O 3.3Å; I92-L167 WeakPolarHBondContact CA-O 3.28Å; S93-L167 PolarHBondContact N-O 3.24Å; S93-L167 PolarHBondContact O-N 3.02Å; N149-L167 WeakPolarHBondContact OD1-CA 3.16Å; P165-L167 PolarHBondContact O-N 2.88Å |
| 168 | C | 90.9 | Very high | 68.1 | Low | 2 Ų | 2 | 91.6 Ų | 91.6 | 1% | 0.014 | 52% | 0.516 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.5 | 173.7 | -66.4 | 0 | 0 | 0 | 0 | 109.6 | I145 F148 N149 | I145-C168 HydrophobicContact CG1-CB 4.39Å; F148-C168 VanDerWaalsContact CB-SG 3.6Å; N149-C168 HydrophobicContact CB-CB 4.04Å; N149-C168 PolarHBondContact OD1-N 3.28Å; N149-C168 PolarHBondContact OD1-O 3.27Å |
| 169 | K | 90.4 | Very high | 67.3 | Low | 75 Ų | 75 | 95.4 Ų | 95.4 | 33% | 0.326 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 169.4 | 173.8 | 62.2 | 159.9 | -167.5 | 152.8 | 0 | 110.9 | L90 Y91 A171 D172 | L90-K169 WeakPolarHBondContact CA-O 3.43Å; Y91-K169 HydrophobicContact CD1-CD 4.32Å; Y91-K169 HydrophobicContact CD1-CG 3.89Å; Y91-K169 HydrophobicContact CG-CG 4.4Å; Y91-K169 PolarHBondContact N-O 3.5Å; Y91-K169 PolarHBondContact O-N 3.43Å; Y91-K169 VanDerWaalsContact O-O 3.13Å; K169-A171 PolarHBondContact O-N 2.84Å; K169-D172 IonicContact NZ-OD2 3.38Å; K169-D172 PolarHBondContact NZ-OD2 2.81Å |
| 170 | F | 90.7 | Very high | 66.2 | Low | 70 Ų | 70 | 97.5 Ų | 97.5 | 31% | 0.307 | 53% | 0.532 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 137.4 | 163.6 | -70.7 | -76.5 | 0 | 0 | 0 | 110.5 | P87 C141 E142 I145 | P87-F170 HydrophobicContact CB-CD1 4.07Å; P87-F170 HydrophobicContact CB-CE1 4.38Å; P87-F170 WeakPolarHBondContact O-CD1 3.26Å; P87-F170 VanDerWaalsContact O-CE1 3.31Å; P87-F170 WeakPolarHBondContact O-CE1 3.28Å; C141-F170 HydrophobicContact CB-CD1 4.14Å; C141-F170 HydrophobicContact CB-CE1 3.39Å; C141-F170 HydrophobicContact CB-CZ 3.94Å; E142-F170 HydrophobicContact CG-CE2 4.23Å; E142-F170 HydrophobicContact CG-CZ 3.81Å; I145-F170 HydrophobicContact CD1-CD1 4.37Å; I145-F170 HydrophobicContact CD1-CD2 3.6Å; I145-F170 HydrophobicContact CD1-CE1 4.43Å; I145-F170 HydrophobicContact CD1-CE2 3.64Å; I145-F170 HydrophobicContact CD1-CG 3.99Å; I145-F170 HydrophobicContact CD1-CZ 4.08Å |
| 171 | A | 86.1 | Confident | 65.2 | Low | 13 Ų | 13 | 101 Ų | 101 | 11% | 0.107 | 54% | 0.538 | C | S | . | . | trans | -76.7 | 131.3 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | N89 F132 K169 G173 | N89-A171 HydrophobicContact CB-CB 4.02Å; N89-A171 WeakPolarHBondContact O-CB 3.28Å; N89-A171 PolarHBondContact O-N 3.2Å; F132-A171 HydrophobicContact CD1-CB 3.89Å; F132-A171 HydrophobicContact CE1-CB 3.95Å; K169-A171 PolarHBondContact O-N 2.84Å; A171-G173 PolarHBondContact O-N 3.17Å | ||
| 172 | D | 73.8 | Confident | 64 | Low | 126 Ų | 126 | 102 Ų | 102 | 67% | 0.674 | 54% | 0.541 | S | S | * | . | trans | -57.9 | 112.3 | 175 | -60.1 | -75.1 | 0 | 0 | 0 | 109.6 | K169 G174 | K169-D172 IonicContact NZ-OD2 3.38Å; K169-D172 PolarHBondContact NZ-OD2 2.81Å; D172-G174 PolarHBondContact O-N 3.45Å | ||
| 173 | G | 59.3 | Low | 62.8 | Low | 58 Ų | 58 | 109.8 Ų | 109.8 | 60% | 0.598 | 57% | 0.573 | S | S | * | * | trans | -52.1 | 137.2 | -172 | 0 | 0 | 0 | 0 | 0 | 112.7 | A171 Q175 | A171-G173 PolarHBondContact O-N 3.17Å; G173-Q175 PolarHBondContact O-N 2.87Å | ||
| 174 | G | 52.9 | Low | 61.4 | Low | 82 Ų | 82 | 114 Ų | 114 | 85% | 0.845 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -68.2 | 31.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | D172 | D172-G174 PolarHBondContact O-N 3.45Š|
| 175 | Q | 46.6 | Very low | 59.8 | Low | 143 Ų | 143 | 114 Ų | 114 | 67% | 0.668 | 59% | 0.585 | S | S | * | * | trans | -110.6 | 40.9 | 173.7 | -70.2 | -66.1 | -10.2 | 0 | 0 | 112.1 | G173 K177 | G173-Q175 PolarHBondContact O-N 2.87Å; Q175-K177 PolarHBondContact O-N 3.1Å | ||
| 176 | K | 46.7 | Very low | 57.7 | Low | 190 Ų | 190 | 120.5 Ų | 120.5 | 83% | 0.826 | 61% | 0.612 | S | S | * | * | trans | -64.1 | 84.6 | 150.1 | -78.8 | -170.8 | -179.6 | 178.5 | 0 | 107.9 | R178 | K176-R178 PolarHBondContact O-N 3.18Š| ||
| 177 | K | 46.3 | Very low | 55.1 | Low | 189 Ų | 189 | 128.2 Ų | 128.2 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | trans | -31.3 | 106 | 175.4 | -170.7 | 173.6 | -170.4 | 170 | 0 | 108.7 | Q175 Q179 | Q175-K177 PolarHBondContact O-N 3.1Å; K177-Q179 PolarHBondContact O-N 3.17Å | ||
| 178 | R | 46.4 | Very low | 52.8 | Low | 245 Ų | 245 | 128 Ų | 128 | 93% | 0.925 | 67% | 0.669 | S | S | * | * | trans | -64.9 | 85.5 | -174.2 | 177.6 | -179.9 | 159.9 | -172.9 | -7.6 | 108.3 | K176 S180 | K176-R178 PolarHBondContact O-N 3.18Å; R178-S180 PolarHBondContact O-N 2.8Å | ||
| 179 | Q | 38.3 | Very low | 50.2 | Low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 71% | 0.711 | S | S | * | * | trans | -62.7 | 108.7 | -178 | -171.8 | 172 | 14.4 | 0 | 0 | 107.1 | K177 Q181 | K177-Q179 PolarHBondContact O-N 3.17Å; Q179-Q181 PolarHBondContact O-N 2.8Å | ||
| 180 | S | 38.9 | Very low | 48 | Very low | 107 Ų | 107 | 141.4 Ų | 141.4 | 75% | 0.748 | 73% | 0.733 | S | S | * | * | trans | -56.8 | 125.7 | -176.2 | -168.7 | 0 | 0 | 0 | 0 | 109 | R178 S182 | R178-S180 PolarHBondContact O-N 2.8Å; S180-S182 VanDerWaalsContact C-N 3.31Å; S180-S182 PolarHBondContact O-N 3.22Å | ||
| 181 | Q | 39 | Very low | 45.4 | Very low | 186 Ų | 186 | 150 Ų | 150 | 87% | 0.869 | 76% | 0.763 | S | S | * | * | trans | -14.7 | 75 | -179.2 | -165.9 | 178.6 | 18.4 | 0 | 0 | 115.6 | Q179 K183 | Q179-Q181 PolarHBondContact O-N 2.8Å; Q181-K183 PolarHBondContact O-N 3.22Å | ||
| 182 | S | 32.8 | Very low | 42.9 | Very low | 90 Ų | 90 | 157.9 Ų | 157.9 | 63% | 0.629 | 80% | 0.798 | S | S | * | * | trans | -73.9 | 115 | 174.4 | -167.3 | 0 | 0 | 0 | 0 | 107.9 | S180 Y184 | S180-S182 VanDerWaalsContact C-N 3.31Å; S180-S182 PolarHBondContact O-N 3.22Å; S182-Y184 PolarHBondContact O-N 2.75Å | ||
| 183 | K | 38.2 | Very low | 40.9 | Very low | 190 Ų | 190 | 163.3 Ų | 163.3 | 83% | 0.826 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62 | 120.2 | -179.7 | -65.3 | 175.9 | -179.7 | 176.4 | 0 | 108.8 | Q181 P185 | Q181-K183 PolarHBondContact O-N 3.22Å; K183-P185 VanDerWaalsContact O-CD 3.25Å; K183-P185 WeakPolarHBondContact O-CD 3.25Å |
| 184 | Y | 32.2 | Very low | 39.4 | Very low | 225 Ų | 225 | 169.2 Ų | 169.2 | 88% | 0.882 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 122.7 | 167.3 | -75.7 | -88.9 | 0 | 0 | 0 | 109.5 | S182 | S182-Y184 PolarHBondContact O-N 2.75Š|
| 185 | P | 43.3 | Very low | 38.4 | Very low | 118 Ų | 118 | 169 Ų | 169 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 131.2 | 152 | 29.7 | -28.6 | 0 | 0 | 0 | 107.9 | K183 N187 | K183-P185 VanDerWaalsContact O-CD 3.25Å; K183-P185 WeakPolarHBondContact O-CD 3.25Å; P185-N187 PolarHBondContact O-N 3.45Å |
| 186 | Q | 41.5 | Very low | 37.7 | Very low | 179 Ų | 179 | 170.9 Ų | 170.9 | 84% | 0.836 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 129.1 | 173 | -179.4 | -155.2 | 102.1 | 0 | 0 | 109.9 | ||
| 187 | N | 33.8 | Very low | 37 | Very low | 165 Ų | 165 | 165.7 Ų | 165.7 | 88% | 0.882 | 83% | 0.827 | S | S | * | * | trans | -162.7 | 122.6 | 146.8 | -99.9 | -33.3 | 0 | 0 | 0 | 108.5 | P185 | P185-N187 PolarHBondContact O-N 3.45Š| ||
| 188 | G | 39.7 | Very low | 36.5 | Very low | 70 Ų | 70 | 164.3 Ų | 164.3 | 72% | 0.722 | 83% | 0.828 | S | S | * | * | trans | -106.9 | 154.8 | -160.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 189 | R | 37.1 | Very low | 35.9 | Very low | 237 Ų | 237 | 161.7 Ų | 161.7 | 89% | 0.894 | 83% | 0.828 | S | S | * | * | trans | -142.4 | 117.3 | 148.5 | -78.5 | -175 | -177.7 | -87.7 | -4.4 | 107.8 | ||||
| 190 | P | 44 | Very low | 35.6 | Very low | 122 Ų | 122 | 157.2 Ų | 157.2 | 79% | 0.792 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 136.9 | 176.1 | -18.2 | 32 | 0 | 0 | 0 | 111.2 | ||
| 191 | W | 35.8 | Very low | 35.5 | Very low | 249 Ų | 249 | 157.8 Ų | 157.8 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 127.8 | 160.2 | -76.1 | 87.3 | 0 | 0 | 0 | 108.4 | ||
| 192 | H | 33.3 | Very low | 35.3 | Very low | 180 Ų | 180 | 158.2 Ų | 158.2 | 83% | 0.833 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 135.2 | 170.7 | -83 | -115.3 | 0 | 0 | 0 | 109.7 | ||
| 193 | R | 32 | Very low | 35.4 | Very low | 239 Ų | 239 | 161.4 Ų | 161.4 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | trans | -119.5 | 125 | 159.3 | 178.1 | 179.6 | -75.2 | -169 | -4.6 | 106.8 | ||||
| 194 | E | 29.1 | Very low | 35.9 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 83% | 0.832 | S | S | * | * | trans | -80 | 147.5 | 178.9 | -65.1 | 157.5 | -136.9 | 0 | 0 | 110 | ||||
| 195 | G | 31.3 | Very low | 36.3 | Very low | 76 Ų | 76 | 153.5 Ų | 153.5 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | 159.5 | 76.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 196 | E | 31.2 | Very low | 36.1 | Very low | 184 Ų | 184 | 154.1 Ų | 154.1 | 86% | 0.86 | 83% | 0.832 | S | S | * | * | trans | 44.6 | 111.2 | 144.6 | -145.5 | 168.8 | 141.4 | 0 | 0 | 120.3 | ||||
| 197 | G | 32.1 | Very low | 36.4 | Very low | 80 Ų | 80 | 151.7 Ų | 151.7 | 83% | 0.825 | 83% | 0.832 | S | S | * | * | trans | -137.9 | 93.9 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 198 | L | 35.4 | Very low | 36.5 | Very low | 160 Ų | 160 | 155.3 Ų | 155.3 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | -94.2 | 103.6 | 178.5 | -86 | 167 | 0 | 0 | 0 | 112.1 | ||||
| 199 | M | 34.5 | Very low | 36.5 | Very low | 190 Ų | 190 | 159 Ų | 159 | 94% | 0.936 | 84% | 0.836 | S | S | * | * | trans | -160.8 | 99.3 | 142.3 | -163.6 | 165.6 | -175.2 | 0 | 0 | 114.2 | ||||
| 200 | G | 32.5 | Very low | 36.6 | Very low | 71 Ų | 71 | 155 Ų | 155 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | trans | 45.1 | 116.6 | 143.2 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 201 | S | 36.1 | Very low | 36.2 | Very low | 119 Ų | 119 | 152.3 Ų | 152.3 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | -163.7 | 123.5 | 117.7 | -85.3 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 202 | K | 36.1 | Very low | 36.7 | Very low | 196 Ų | 196 | 150.2 Ų | 150.2 | 85% | 0.852 | 84% | 0.836 | S | S | * | * | trans | 15.8 | 130.5 | 134.4 | -68.8 | 173.8 | -176.3 | 178.5 | 0 | 116.7 | ||||
| 203 | I | 34.9 | Very low | 36.9 | Very low | 156 Ų | 156 | 145.9 Ų | 145.9 | 80% | 0.8 | 83% | 0.831 | S | S | * | * | cis | -159 | 157.3 | 26.1 | -102.5 | -88 | 0 | 0 | 0 | 109.3 | ||||
| 204 | P | 48.7 | Very low | 37.3 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 70% | 0.695 | 83% | 0.833 | S | S | * | * | trans | -96.6 | 158 | -164.8 | 37.3 | -36.8 | 0 | 0 | 0 | 116.8 | ||||
| 205 | V | 39.8 | Very low | 37.7 | Very low | 142 Ų | 142 | 141.2 Ų | 141.2 | 86% | 0.861 | 83% | 0.834 | S | S | * | * | trans | -137.2 | 154.6 | 163.4 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 206 | V | 38.2 | Very low | 37.7 | Very low | 131 Ų | 131 | 147.1 Ų | 147.1 | 79% | 0.794 | 84% | 0.835 | S | S | * | * | trans | -75.1 | 158.2 | -163.8 | -77.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 207 | P | 48.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 83% | 0.831 | 83% | 0.833 | S | S | * | * | trans | -91.3 | 172.6 | -169.9 | 38 | -38.6 | 0 | 0 | 0 | 115 | ||||
| 208 | R | 36.5 | Very low | 38.5 | Very low | 242 Ų | 242 | 146 Ų | 146 | 91% | 0.913 | 82% | 0.821 | S | S | * | * | trans | -152 | 146.9 | 160.8 | -162.1 | 170.9 | -173.5 | 172.3 | 2.6 | 112.2 | ||||
| 209 | D | 38.4 | Very low | 38.7 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 78% | 0.781 | 82% | 0.82 | S | S | * | * | trans | -86.3 | 142.5 | -166.2 | -39.4 | -101.5 | 0 | 0 | 0 | 115.1 | ||||
| 210 | T | 40.9 | Very low | 38.9 | Very low | 153 Ų | 153 | 139 Ų | 139 | 94% | 0.939 | 82% | 0.816 | S | S | * | * | trans | 179.8 | 151.3 | 132.1 | 20.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 211 | G | 35.8 | Very low | 39.3 | Very low | 67 Ų | 67 | 144.7 Ų | 144.7 | 69% | 0.691 | 83% | 0.826 | S | S | * | * | cis | 143.1 | 107.1 | 1.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 212 | M | 46 | Very low | 39.4 | Very low | 205 Ų | 205 | 147.4 Ų | 147.4 | 100% | 1.01 | 83% | 0.825 | S | S | * | * | trans | -68.6 | 132.8 | 179.7 | -67.8 | -179.1 | 178.8 | 0 | 0 | 111.1 | ||||
| 213 | A | 36.6 | Very low | 39.3 | Very low | 88 Ų | 88 | 145.3 Ų | 145.3 | 73% | 0.727 | 82% | 0.824 | S | S | * | * | trans | -145.7 | 116 | 166 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 214 | L | 41.4 | Very low | 39.3 | Very low | 181 Ų | 181 | 141.5 Ų | 141.5 | 95% | 0.948 | 82% | 0.822 | S | S | * | * | trans | -80.4 | 133.1 | 160.4 | -65 | 169.3 | 0 | 0 | 0 | 107.5 | ||||
| 215 | T | 37.1 | Very low | 38.5 | Very low | 143 Ų | 143 | 146.3 Ų | 146.3 | 88% | 0.877 | 83% | 0.833 | S | S | * | * | trans | -108.8 | 147 | 167.1 | 67 | 0 | 0 | 0 | 0 | 110 | ||||
| 216 | Y | 32 | Very low | 38.2 | Very low | 200 Ų | 200 | 150.2 Ų | 150.2 | 78% | 0.784 | 83% | 0.833 | S | S | * | * | trans | -133.8 | 127.6 | -171.5 | 164.4 | -92.2 | 0 | 0 | 0 | 107.4 | P218 | Y216-P218 HydrophobicContact CD1-CB 4.35Å; Y216-P218 HydrophobicContact CD1-CG 4.22Å; Y216-P218 HydrophobicContact CE1-CB 3.58Å; Y216-P218 HydrophobicContact CE1-CG 3.77Å | ||
| 217 | D | 34 | Very low | 38 | Very low | 154 Ų | 154 | 149.4 Ų | 149.4 | 82% | 0.824 | 83% | 0.834 | S | S | * | * | trans | -120.6 | 112.7 | -176.1 | -169.6 | 5.5 | 0 | 0 | 0 | 110.5 | ||||
| 218 | P | 45.8 | Very low | 37 | Very low | 88 Ų | 88 | 148.4 Ų | 148.4 | 57% | 0.571 | 83% | 0.83 | S | S | * | * | trans | -112.8 | 94.5 | -169.6 | 37.6 | -29.5 | 0 | 0 | 0 | 115.2 | Y216 | Y216-P218 HydrophobicContact CD1-CB 4.35Å; Y216-P218 HydrophobicContact CD1-CG 4.22Å; Y216-P218 HydrophobicContact CE1-CB 3.58Å; Y216-P218 HydrophobicContact CE1-CG 3.77Å | ||
| 219 | A | 39.8 | Very low | 37.3 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -159.4 | 70.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 220 | A | 38.2 | Very low | 37.1 | Very low | 104 Ų | 104 | 145.2 Ų | 145.2 | 86% | 0.86 | 82% | 0.822 | S | S | * | * | trans | -160.7 | 70.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 221 | M | 40 | Very low | 36.7 | Very low | 190 Ų | 190 | 143.3 Ų | 143.3 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | -92.8 | 109.4 | 171.2 | -70.2 | -175.5 | 73.1 | 0 | 0 | 111.9 | ||||
| 222 | Q | 38.3 | Very low | 36.7 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | trans | -167.3 | 154.3 | 141.2 | -116.7 | 173.6 | 2.7 | 0 | 0 | 113.5 | ||||
| 223 | N | 34.3 | Very low | 36.1 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | 62.1 | 81.6 | 172 | -51.3 | -44.3 | 0 | 0 | 0 | 115.3 | ||||
| 224 | G | 34.4 | Very low | 36.1 | Very low | 75 Ų | 75 | 144.7 Ų | 144.7 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | -87.9 | 153.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 225 | F | 33.6 | Very low | 35.8 | Very low | 208 Ų | 208 | 142.4 Ų | 142.4 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | -144.1 | 123.1 | 156 | -137.9 | -92.7 | 0 | 0 | 0 | 108 | ||||
| 226 | Y | 33.6 | Very low | 35.7 | Very low | 224 Ų | 224 | 145.4 Ų | 145.4 | 88% | 0.878 | 80% | 0.799 | S | S | * | * | trans | -81.4 | 131.9 | 178.8 | -91.1 | -88.9 | 0 | 0 | 0 | 110.6 | ||||
| 227 | S | 32.1 | Very low | 35.7 | Very low | 115 Ų | 115 | 145 Ų | 145 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | trans | -156.7 | 144 | 155.2 | -93.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 228 | S | 28.8 | Very low | 36 | Very low | 107 Ų | 107 | 144.6 Ų | 144.6 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -144.2 | 166.4 | 172.4 | -56.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 229 | P | 43 | Very low | 35.5 | Very low | 104 Ų | 104 | 145.1 Ų | 145.1 | 68% | 0.675 | 81% | 0.814 | S | S | * | * | -104.8 | -161.8 | -79.2 | 27.3 | -12.2 | 0 | 0 | 0 | 111.4 | |||||
| 230 | Y | 33.4 | Very low | 35.2 | Very low | 217 Ų | 217 | 149.3 Ų | 149.3 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | 76.8 | 105.3 | 175.8 | -52.3 | -79.1 | 0 | 0 | 0 | 118.1 | ||||
| 231 | S | 32.4 | Very low | 35 | Very low | 113 Ų | 113 | 151.1 Ų | 151.1 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | 174.4 | -178.4 | 124 | 48.4 | 0 | 0 | 0 | 0 | 110 | |||||
| 232 | I | 35.5 | Very low | 34.8 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | trans | 71.6 | 106.3 | -179.1 | -53.7 | 175.1 | 0 | 0 | 0 | 112.2 | ||||
| 233 | A | 34 | Very low | 34.8 | Very low | 92 Ų | 92 | 145.7 Ų | 145.7 | 76% | 0.76 | 80% | 0.804 | S | S | * | * | cis | 81.5 | 133.3 | 34.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 234 | T | 35.9 | Very low | 34.9 | Very low | 139 Ų | 139 | 145 Ų | 145 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -74.1 | 135.8 | -168.7 | -42.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 235 | N | 35.5 | Very low | 36.1 | Very low | 133 Ų | 133 | 146.6 Ų | 146.6 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | 154.1 | 158.7 | 108.8 | -156.1 | -6.8 | 0 | 0 | 0 | 113.3 | |||||
| 236 | R | 34.2 | Very low | 36.2 | Very low | 206 Ų | 206 | 146.6 Ų | 146.6 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | trans | 73.2 | 109.6 | 165.5 | -55.3 | -176.7 | 179.6 | -174.5 | -0.9 | 118.2 | ||||
| 237 | M | 32.8 | Very low | 36.3 | Very low | 192 Ų | 192 | 143.3 Ų | 143.3 | 95% | 0.946 | 80% | 0.798 | S | S | * | * | trans | -106 | 138.7 | 140.3 | -74.1 | 178.6 | 67 | 0 | 0 | 108.8 | ||||
| 238 | I | 39.5 | Very low | 36.4 | Very low | 146 Ų | 146 | 142.7 Ų | 142.7 | 75% | 0.749 | 80% | 0.8 | S | S | * | * | trans | -124.1 | 134 | 169.7 | -66.2 | 174 | 0 | 0 | 0 | 106.4 | ||||
| 239 | A | 35.4 | Very low | 36.6 | Very low | 99 Ų | 99 | 142.3 Ų | 142.3 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -80.8 | 151.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 240 | Q | 34.3 | Very low | 36.2 | Very low | 187 Ų | 187 | 142.8 Ų | 142.8 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | trans | -100.9 | 150.8 | -179.5 | -58.3 | 171.6 | -47.2 | 0 | 0 | 111.7 | ||||
| 241 | T | 33.8 | Very low | 37 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -147.4 | 150.6 | 151 | 33.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 242 | S | 35.3 | Very low | 37.4 | Very low | 97 Ų | 97 | 139.5 Ų | 139.5 | 68% | 0.678 | 81% | 0.809 | S | S | * | * | trans | -36.6 | 136.5 | 174.8 | 44.3 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 243 | I | 38.6 | Very low | 37.4 | Very low | 154 Ų | 154 | 137.6 Ų | 137.6 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | 77.3 | 105.8 | 61.5 | -62.1 | 160.6 | 0 | 0 | 0 | 114.3 | |||||
| 244 | T | 36.3 | Very low | 37.4 | Very low | 138 Ų | 138 | 138.1 Ų | 138.1 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | -176.8 | 156.3 | 124.9 | 20.6 | 0 | 0 | 0 | 0 | 111 | |||||
| 245 | P | 60.2 | Low | 37.3 | Very low | 110 Ų | 110 | 142.1 Ų | 142.1 | 71% | 0.714 | 80% | 0.804 | S | S | * | * | trans | -116.9 | 161.9 | -171.6 | 40.9 | -31.3 | 0 | 0 | 0 | 115.3 | ||||
| 246 | F | 35.4 | Very low | 37.2 | Very low | 207 Ų | 207 | 142.9 Ų | 142.9 | 91% | 0.908 | 80% | 0.804 | S | S | * | * | trans | -152.2 | 168.4 | 150.8 | -120.3 | -81.4 | 0 | 0 | 0 | 113 | ||||
| 247 | I | 35.4 | Very low | 37.1 | Very low | 156 Ų | 156 | 138.4 Ų | 138.4 | 80% | 0.8 | 80% | 0.799 | S | S | * | * | trans | -103.7 | 138.7 | -161.1 | -56.7 | 158.1 | 0 | 0 | 0 | 112.1 | ||||
| 248 | A | 34.1 | Very low | 37.2 | Very low | 102 Ų | 102 | 137.8 Ų | 137.8 | 84% | 0.843 | 79% | 0.794 | S | S | * | * | trans | -160.1 | 156.7 | 152.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 249 | A | 33.3 | Very low | 36.8 | Very low | 99 Ų | 99 | 136.5 Ų | 136.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -100 | 167.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 250 | S | 35.1 | Very low | 36.9 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 80% | 0.797 | 80% | 0.795 | S | S | * | * | trans | -41.6 | 163.3 | 155.2 | -54.9 | 0 | 0 | 0 | 0 | 114 | ||||
| 251 | P | 49 | Very low | 36.9 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 79% | 0.792 | S | S | * | * | cis | -145.6 | -176.1 | 34.8 | 43 | -22.4 | 0 | 0 | 0 | 118.8 | ||||
| 252 | V | 41.7 | Very low | 37 | Very low | 132 Ų | 132 | 138.2 Ų | 138.2 | 80% | 0.8 | 79% | 0.791 | S | S | * | * | trans | -59.6 | 150.1 | 171.7 | 173.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 253 | S | 35.5 | Very low | 37 | Very low | 118 Ų | 118 | 141.5 Ų | 141.5 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -135.5 | 153.7 | 157.5 | -166.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 254 | T | 33.8 | Very low | 37.2 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 63% | 0.626 | 79% | 0.794 | S | S | * | * | trans | -125.1 | 139.5 | -174.7 | -87.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 255 | Y | 34.8 | Very low | 37.1 | Very low | 223 Ų | 223 | 142 Ų | 142 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | trans | -174.5 | 110.1 | 145.7 | -89.5 | -66.8 | 0 | 0 | 0 | 106 | ||||
| 256 | Q | 33.1 | Very low | 35.8 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 70% | 0.696 | 80% | 0.803 | S | S | * | * | 76.1 | 121.1 | 83.6 | -79.7 | -80.5 | -62.8 | 0 | 0 | 115.1 | |||||
| 257 | V | 31.6 | Very low | 35.6 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 68% | 0.679 | 80% | 0.801 | S | S | * | * | trans | 62.4 | 122.8 | 149.2 | -178.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 258 | Q | 34.8 | Very low | 35.6 | Very low | 179 Ų | 179 | 147.4 Ų | 147.4 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | -159.9 | 155.9 | 56.6 | -149.2 | 153.6 | 33.5 | 0 | 0 | 111.7 | |||||
| 259 | S | 32.2 | Very low | 35.6 | Very low | 119 Ų | 119 | 149 Ų | 149 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -123.2 | 133 | -180 | -54.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 260 | T | 36.7 | Very low | 35.5 | Very low | 124 Ų | 124 | 152 Ų | 152 | 76% | 0.761 | 80% | 0.802 | S | S | * | * | trans | -139.3 | 118.9 | 163.4 | -54.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 261 | S | 34.7 | Very low | 35.7 | Very low | 117 Ų | 117 | 154.3 Ų | 154.3 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -102.3 | 152 | 171.4 | -167.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 262 | W | 35 | Very low | 35.6 | Very low | 223 Ų | 223 | 154.4 Ų | 154.4 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | trans | -103 | 119.3 | -176.2 | -80.7 | 91.8 | 0 | 0 | 0 | 112.5 | ||||
| 263 | M | 35 | Very low | 35.2 | Very low | 165 Ų | 165 | 154.5 Ų | 154.5 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | 69.2 | 158.5 | 164.5 | -55 | -173.1 | 87.5 | 0 | 0 | 114.5 | ||||
| 264 | P | 43.6 | Very low | 35 | Very low | 110 Ų | 110 | 152.3 Ų | 152.3 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | cis | -121 | 174.5 | 13.9 | 42.7 | -30.5 | 0 | 0 | 0 | 115.7 | ||||
| 265 | H | 35.3 | Very low | 35 | Very low | 193 Ų | 193 | 151.9 Ų | 151.9 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | -131.4 | 133 | 158.4 | -85.3 | -89.7 | 0 | 0 | 0 | 110.3 | ||||
| 266 | Q | 32.5 | Very low | 34.7 | Very low | 181 Ų | 181 | 147.8 Ų | 147.8 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -107.4 | 145.5 | 164.5 | -82.4 | -76.6 | 4.6 | 0 | 0 | 107.9 | ||||
| 267 | Q | 31.6 | Very low | 34.8 | Very low | 188 Ų | 188 | 148.2 Ų | 148.2 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | trans | -95.7 | 131.7 | 172.8 | -71.3 | -167.8 | -97 | 0 | 0 | 110.7 | ||||
| 268 | Y | 33.6 | Very low | 35 | Very low | 218 Ų | 218 | 148.9 Ų | 148.9 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -107.6 | 130.3 | 176.3 | -150.2 | -91.4 | 0 | 0 | 0 | 108.8 | ||||
| 269 | V | 34 | Very low | 35.8 | Very low | 136 Ų | 136 | 146 Ų | 146 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | -131.3 | 135.1 | 171.2 | -179.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 270 | M | 31.7 | Very low | 35.7 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 80% | 0.798 | 80% | 0.802 | S | S | * | * | trans | -105.3 | 155.3 | -167.3 | -162.9 | 170 | 70.9 | 0 | 0 | 111.8 | ||||
| 271 | Q | 39.5 | Very low | 35.7 | Very low | 161 Ų | 161 | 146.7 Ų | 146.7 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | trans | -65.7 | 165.7 | 175.4 | -64.1 | 177.7 | -9.9 | 0 | 0 | 112.6 | ||||
| 272 | P | 47.4 | Very low | 35.4 | Very low | 130 Ų | 130 | 147.3 Ų | 147.3 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | -132.2 | 166 | 115.6 | 38.4 | -32.1 | 0 | 0 | 0 | 114.7 | |||||
| 273 | T | 32.2 | Very low | 35.8 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -110.3 | 142.1 | -178.6 | -60.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 274 | G | 32.7 | Very low | 35.6 | Very low | 72 Ų | 72 | 142.5 Ų | 142.5 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 158.7 | 78.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 275 | A | 32.8 | Very low | 35.2 | Very low | 93 Ų | 93 | 145.9 Ų | 145.9 | 77% | 0.769 | 80% | 0.803 | S | S | * | * | trans | 20.8 | 143.3 | 142.8 | 0 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 276 | V | 29.5 | Very low | 35.3 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 83% | 0.83 | 79% | 0.793 | S | S | * | * | trans | 75.4 | 138.4 | 147.9 | 165.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 277 | I | 34.6 | Very low | 35.3 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | cis | -136.5 | 159.4 | 24.8 | -32.1 | 153.1 | 0 | 0 | 0 | 112.3 | ||||
| 278 | T | 35.7 | Very low | 35.6 | Very low | 127 Ų | 127 | 141.1 Ų | 141.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -74.2 | 179.3 | 162.9 | 10 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 279 | P | 51.2 | Low | 36.4 | Very low | 117 Ų | 117 | 136.2 Ų | 136.2 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -152.3 | -174.5 | 34.5 | 45.2 | -23.2 | 0 | 0 | 0 | 120.6 | ||||
| 280 | A | 29.8 | Very low | 36.4 | Very low | 83 Ų | 83 | 134.3 Ų | 134.3 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | 96 | 151.4 | 141.5 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 281 | M | 37.6 | Very low | 36.8 | Very low | 175 Ų | 175 | 132.2 Ų | 132.2 | 86% | 0.862 | 79% | 0.789 | S | S | * | * | trans | 73.9 | 111.5 | 176.8 | -52.1 | -177.4 | -176.9 | 0 | 0 | 115.1 | ||||
| 282 | D | 27.8 | Very low | 36.6 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | cis | 78 | 131.7 | 36.3 | -57.5 | -40.4 | 0 | 0 | 0 | 114.4 | ||||
| 283 | H | 44.6 | Very low | 36 | Very low | 155 Ų | 155 | 136.1 Ų | 136.1 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | cis | -163.5 | 171.5 | 7.2 | -116.6 | 14.5 | 0 | 0 | 0 | 111.4 | ||||
| 284 | T | 30.1 | Very low | 36.5 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | 75.5 | 154.4 | 163.5 | 83.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 285 | M | 35.1 | Very low | 38.2 | Very low | 181 Ų | 181 | 135.4 Ų | 135.4 | 89% | 0.892 | 80% | 0.798 | S | S | * | * | cis | -138.2 | 175.1 | 2.2 | -124.5 | -136.6 | 175.6 | 0 | 0 | 112.5 | ||||
| 286 | S | 36.7 | Very low | 38.4 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 69% | 0.685 | 80% | 0.802 | S | S | * | * | trans | -111.7 | 156.4 | -168.7 | 54.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 287 | M | 33.5 | Very low | 38.9 | Very low | 184 Ų | 184 | 137.6 Ų | 137.6 | 91% | 0.906 | 80% | 0.796 | S | S | * | * | trans | -167 | 143.6 | 136.1 | -108.8 | -164.5 | -62.9 | 0 | 0 | 114.3 | ||||
| 288 | Q | 36.9 | Very low | 39.3 | Very low | 180 Ų | 180 | 138 Ų | 138 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -126 | -173.5 | 153.6 | -68.2 | -160.6 | -43.4 | 0 | 0 | 105.8 | ||||
| 289 | P | 51.7 | Low | 39.5 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 75% | 0.753 | 79% | 0.786 | S | S | * | * | cis | -143.6 | -162.2 | 4.5 | 40.7 | -18.2 | 0 | 0 | 0 | 115.8 | ||||
| 290 | A | 33 | Very low | 38.5 | Very low | 96 Ų | 96 | 140 Ų | 140 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | trans | 96 | 156.6 | 142.8 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 291 | S | 40.9 | Very low | 38.9 | Very low | 118 Ų | 118 | 143.3 Ų | 143.3 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -121.8 | 159.5 | -163.5 | -27 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 292 | M | 33.8 | Very low | 38.8 | Very low | 183 Ų | 183 | 141.9 Ų | 141.9 | 90% | 0.901 | 78% | 0.783 | S | S | * | * | trans | -167.3 | 134.7 | 152.3 | 41.1 | -160.8 | 164.1 | 0 | 0 | 115.5 | ||||
| 293 | M | 35.5 | Very low | 39.5 | Very low | 190 Ų | 190 | 143.1 Ų | 143.1 | 94% | 0.936 | 79% | 0.789 | S | S | * | * | trans | 20 | 139.3 | 144.8 | -68.9 | 171.7 | 173.1 | 0 | 0 | 122.7 | ||||
| 294 | G | 43.4 | Very low | 39.1 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -98.6 | -154.1 | 142.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 295 | P | 68.9 | Low | 39.8 | Very low | 121 Ų | 121 | 142.6 Ų | 142.6 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | cis | -125.9 | -173.6 | -6.3 | 42.8 | -28.4 | 0 | 0 | 0 | 112.8 | ||||
| 296 | L | 37.2 | Very low | 39.8 | Very low | 162 Ų | 162 | 137.8 Ų | 137.8 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -170.1 | -173.5 | 135.2 | -129.5 | 78 | 0 | 0 | 0 | 113.9 | ||||
| 297 | T | 39.2 | Very low | 39.9 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | trans | -129.4 | -173.8 | -167.8 | 57.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 298 | Q | 43.7 | Very low | 40 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 77% | 0.771 | 80% | 0.796 | S | S | * | * | trans | 76.8 | 154.2 | 173.7 | -59.7 | -179.6 | -13.2 | 0 | 0 | 115.6 | ||||
| 299 | Q | 38.8 | Very low | 39.9 | Very low | 132 Ų | 132 | 132.1 Ų | 132.1 | 62% | 0.617 | 79% | 0.788 | S | S | * | * | cis | -156.6 | 164.7 | -3.4 | -130.7 | 174.2 | -110.8 | 0 | 0 | 113.4 | ||||
| 300 | M | 30.5 | Very low | 39.1 | Very low | 154 Ų | 154 | 132 Ų | 132 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | trans | 48.9 | 112.2 | 149 | -78 | 177.7 | -177 | 0 | 0 | 123.1 | ||||
| 301 | N | 37.3 | Very low | 39.2 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | 43.9 | 105.8 | 101.7 | -173.6 | 40.1 | 0 | 0 | 0 | 120.4 | |||||
| 302 | H | 35.8 | Very low | 38.9 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | trans | 179.1 | 127.3 | 133.2 | 171.6 | -120.4 | 0 | 0 | 0 | 112 | ||||
| 303 | L | 42.7 | Very low | 38.8 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | -179.3 | 146 | 129.5 | -100.2 | 164.1 | 0 | 0 | 0 | 111.6 | |||||
| 304 | S | 35.9 | Very low | 38.6 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | trans | -106.5 | 169.1 | -166.6 | -64.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 305 | L | 46.4 | Very low | 38.2 | Very low | 172 Ų | 172 | 132.6 Ų | 132.6 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -53.6 | 144.6 | 171.7 | -70.2 | 155.2 | 0 | 0 | 0 | 113.2 | ||||
| 306 | G | 34.5 | Very low | 36.5 | Very low | 80 Ų | 80 | 132 Ų | 132 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -118.8 | 133.8 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 307 | T | 38.7 | Very low | 36.3 | Very low | 130 Ų | 130 | 128.8 Ų | 128.8 | 80% | 0.798 | 78% | 0.777 | S | S | * | * | trans | -126.2 | 126.9 | -164.5 | -52.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 308 | T | 35.3 | Very low | 36 | Very low | 148 Ų | 148 | 127.9 Ų | 127.9 | 91% | 0.908 | 78% | 0.781 | S | S | * | * | trans | -178.7 | 147.1 | 150.8 | 29.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 309 | G | 35.7 | Very low | 35.5 | Very low | 65 Ų | 65 | 125.1 Ų | 125.1 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 153.5 | 153.5 | -5 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 310 | S | 34.4 | Very low | 35.2 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | 68.6 | 153.3 | 173.5 | -70.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 311 | Y | 33.9 | Very low | 36.2 | Very low | 195 Ų | 195 | 120.7 Ų | 120.7 | 77% | 0.765 | 79% | 0.789 | S | S | * | * | cis | -163.9 | -178.8 | -22.3 | 50.9 | -161.5 | 0 | 0 | 0 | 111.7 | ||||
| 312 | M | 35.4 | Very low | 36.2 | Very low | 158 Ų | 158 | 121.1 Ų | 121.1 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | trans | 81.3 | 114.9 | 179.7 | -56.7 | -169.8 | -75.5 | 0 | 0 | 115.3 | ||||
| 313 | T | 31.1 | Very low | 36.1 | Very low | 138 Ų | 138 | 122.7 Ų | 122.7 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | cis | 77.1 | 125.6 | 30.1 | -48.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 314 | A | 31.9 | Very low | 35.6 | Very low | 93 Ų | 93 | 118.5 Ų | 118.5 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | cis | -166.1 | -163.3 | -18 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 315 | A | 34.5 | Very low | 35.3 | Very low | 87 Ų | 87 | 120.1 Ų | 120.1 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | cis | -162.9 | 164.8 | 2.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 316 | A | 33.3 | Very low | 34.6 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 88% | 0.884 | 79% | 0.791 | S | S | * | * | trans | 60.6 | 145.7 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 317 | A | 33.6 | Very low | 34.9 | Very low | 96 Ų | 96 | 124.8 Ų | 124.8 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | cis | -158.1 | 179.6 | -13.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 318 | A | 33 | Very low | 35.2 | Very low | 95 Ų | 95 | 123.1 Ų | 123.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | cis | -159.4 | 179.3 | 17.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 319 | A | 33.4 | Very low | 35 | Very low | 107 Ų | 107 | 124.6 Ų | 124.6 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | 74.1 | 145.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 320 | A | 32.5 | Very low | 34.8 | Very low | 93 Ų | 93 | 132.5 Ų | 132.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | trans | -148.9 | -168.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 321 | P | 51 | Low | 35 | Very low | 100 Ų | 100 | 133.3 Ų | 133.3 | 65% | 0.649 | 79% | 0.787 | S | S | * | * | cis | -144.8 | -176.1 | 2.4 | 46 | -27.7 | 0 | 0 | 0 | 116.9 | ||||
| 322 | M | 37.2 | Very low | 35.2 | Very low | 163 Ų | 163 | 129.8 Ų | 129.8 | 80% | 0.803 | 79% | 0.788 | S | S | * | * | trans | 67.5 | 141.8 | 154 | -70.8 | -51.6 | 142.7 | 0 | 0 | 119.3 | ||||
| 323 | Q | 33.4 | Very low | 35.5 | Very low | 177 Ų | 177 | 129.1 Ų | 129.1 | 83% | 0.827 | 79% | 0.793 | S | S | * | * | cis | -134.5 | 158.1 | -10.2 | -53.9 | -166.4 | -47.5 | 0 | 0 | 108.1 | ||||
| 324 | G | 31.6 | Very low | 36 | Very low | 69 Ų | 69 | 127.8 Ų | 127.8 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | 79.9 | 135.1 | 79 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 325 | T | 31.5 | Very low | 36.3 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | cis | -164.5 | 153.2 | 0.2 | -57.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 326 | Y | 30 | Very low | 36.3 | Very low | 203 Ų | 203 | 132.1 Ų | 132.1 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | 84.8 | 146.6 | 158.5 | -137 | -111.9 | 0 | 0 | 0 | 122 | P328 | Y326-P328 HydrophobicContact CE1-CG 4.08Š| ||
| 327 | I | 42.3 | Very low | 36.3 | Very low | 147 Ų | 147 | 131.4 Ų | 131.4 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -147.9 | 143.4 | 169 | -33.9 | 176.1 | 0 | 0 | 0 | 107.4 | ||||
| 328 | P | 44.4 | Very low | 36.7 | Very low | 96 Ų | 96 | 133.2 Ų | 133.2 | 62% | 0.623 | 79% | 0.792 | S | S | * | * | -133.9 | 139.5 | 115.3 | 12 | 9.8 | 0 | 0 | 0 | 111.2 | Y326 | Y326-P328 HydrophobicContact CE1-CG 4.08Š| |||
| 329 | Q | 31.8 | Very low | 36.9 | Very low | 178 Ų | 178 | 134.5 Ų | 134.5 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | 68.6 | 110.3 | 69.3 | -162.9 | 175.2 | 9.1 | 0 | 0 | 113.4 | |||||
| 330 | Y | 30.8 | Very low | 37 | Very low | 231 Ų | 231 | 135.9 Ų | 135.9 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -85.8 | 151.3 | 179.8 | -83.1 | -100.4 | 0 | 0 | 0 | 112.9 | ||||
| 331 | T | 38.3 | Very low | 36.9 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -130.9 | 154.5 | 166 | 26.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 332 | P | 38.9 | Very low | 35.9 | Very low | 121 Ų | 121 | 139.5 Ų | 139.5 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85 | 159.5 | -166.7 | 33.6 | -36.7 | 0 | 0 | 0 | 114.7 | ||
| 333 | V | 40.4 | Very low | 35.6 | Very low | 144 Ų | 144 | 137.7 Ų | 137.7 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 133.4 | -179.5 | -78.2 | 0 | 0 | 0 | 0 | 113.6 | ||
| 334 | P | 41.4 | Very low | 35.5 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 71% | 0.708 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.1 | 162.1 | 156.6 | 35.9 | -31.2 | 0 | 0 | 0 | 111.5 | ||
| 335 | P | 39.4 | Very low | 35.6 | Very low | 132 Ų | 132 | 138 Ų | 138 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 141.8 | -173.3 | 30.8 | -35.5 | 0 | 0 | 0 | 114.3 | ||
| 336 | T | 34.8 | Very low | 35.6 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 126.8 | 179.3 | -50.5 | 0 | 0 | 0 | 0 | 112.4 | ||
| 337 | A | 32.7 | Very low | 35.7 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -88 | 140.1 | 161.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 338 | V | 40.8 | Very low | 35.2 | Very low | 134 Ų | 134 | 131.5 Ų | 131.5 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 128 | 177.5 | -84 | 0 | 0 | 0 | 0 | 111.7 | ||
| 339 | P | 39 | Very low | 35.4 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 150.6 | 165 | 34.7 | -32.3 | 0 | 0 | 0 | 111.1 | ||
| 340 | V | 35 | Very low | 35.3 | Very low | 137 Ų | 137 | 132 Ų | 132 | 83% | 0.83 | 80% | 0.799 | S | S | * | * | trans | -136.2 | 121.2 | 169.7 | 175.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 341 | E | 29.6 | Very low | 35.5 | Very low | 191 Ų | 191 | 126.8 Ų | 126.8 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | -138.4 | 146.5 | 160.7 | -74.8 | -155.8 | 125 | 0 | 0 | 109.9 | ||||
| 342 | G | 31.5 | Very low | 35.2 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | 178.5 | 74.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 343 | V | 29.4 | Very low | 34.7 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -74.2 | 137 | -166.1 | 173.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 344 | V | 32.7 | Very low | 34.8 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -137.2 | 148.1 | 144.9 | -174.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 345 | T | 33.7 | Very low | 34.3 | Very low | 118 Ų | 118 | 124.3 Ų | 124.3 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | -65.8 | 169 | -179.1 | 53.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 346 | D | 30.6 | Very low | 34 | Very low | 151 Ų | 151 | 124 Ų | 124 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | cis | -159.8 | 179.5 | 28.7 | -169.3 | -144.5 | 0 | 0 | 0 | 113.5 | ||||
| 347 | A | 31.9 | Very low | 33.9 | Very low | 82 Ų | 82 | 124.9 Ų | 124.9 | 68% | 0.678 | 78% | 0.783 | S | S | * | * | trans | 79.5 | 101.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 348 | S | 32.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 128 Ų | 128 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -81.3 | -177.8 | 160.2 | -60.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 349 | P | 48.3 | Very low | 33.4 | Very low | 105 Ų | 105 | 128.1 Ų | 128.1 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | cis | -146.7 | -170.3 | 12.6 | 46 | -26.3 | 0 | 0 | 0 | 117.9 | ||||
| 350 | Q | 30.4 | Very low | 33.1 | Very low | 178 Ų | 178 | 127.1 Ų | 127.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | trans | 75 | 138.6 | 159.1 | -69.2 | -176.7 | 17.7 | 0 | 0 | 117.7 | ||||
| 351 | T | 33.3 | Very low | 32.8 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | cis | -150.4 | 164.9 | -6.8 | -86.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 352 | V | 32.9 | Very low | 32.9 | Very low | 135 Ų | 135 | 123 Ų | 123 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -55.8 | 157.4 | -175 | -174.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 353 | A | 28.8 | Very low | 32.7 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | -62.5 | -172.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 354 | P | 42.6 | Very low | 32.7 | Very low | 125 Ų | 125 | 128.2 Ų | 128.2 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | cis | -144.1 | -169.2 | 29.2 | 44 | -22.2 | 0 | 0 | 0 | 117.6 | ||||
| 355 | S | 30.1 | Very low | 32.6 | Very low | 109 Ų | 109 | 129 Ų | 129 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -63.4 | 159.1 | 177.1 | -37.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 356 | S | 33.3 | Very low | 32.5 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | -174.7 | 169.2 | 120.5 | -83 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 357 | Q | 33.5 | Very low | 32.5 | Very low | 160 Ų | 160 | 131.3 Ų | 131.3 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | -75.6 | 160.4 | -168.9 | -82 | 155.4 | -112.5 | 0 | 0 | 117.8 | ||||
| 358 | E | 30.4 | Very low | 32.7 | Very low | 157 Ų | 157 | 133.1 Ų | 133.1 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | 62.2 | 139.2 | 141.9 | -72 | 169.3 | 77.3 | 0 | 0 | 122.8 | ||||
| 359 | V | 32.3 | Very low | 32.5 | Very low | 135 Ų | 135 | 134.9 Ų | 134.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 169.3 | 129.3 | 107.8 | 156.2 | 0 | 0 | 0 | 0 | 112 | |||||
| 360 | A | 32.6 | Very low | 31.8 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 53 | 163.3 | 158.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 361 | G | 29.3 | Very low | 32 | Very low | 68 Ų | 68 | 131.1 Ų | 131.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | 152.3 | 157.2 | -14.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 362 | Q | 30 | Very low | 32 | Very low | 173 Ų | 173 | 132.4 Ų | 132.4 | 81% | 0.808 | 77% | 0.773 | S | S | * | * | trans | 98 | 124.6 | 163.3 | -56.4 | -169.1 | -0.5 | 0 | 0 | 122.2 | ||||
| 363 | Q | 27.8 | Very low | 32.1 | Very low | 158 Ų | 158 | 134.3 Ų | 134.3 | 74% | 0.738 | 77% | 0.772 | S | S | * | * | trans | 65.8 | 155.5 | 144.7 | -62.5 | 174.3 | 21.2 | 0 | 0 | 118.9 | ||||
| 364 | Q | 30.5 | Very low | 32.5 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | cis | -153.2 | 122.7 | 12.8 | -142.5 | 165.6 | -9.3 | 0 | 0 | 109.4 | ||||
| 365 | Q | 29.4 | Very low | 32.9 | Very low | 150 Ų | 150 | 135.3 Ų | 135.3 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | 94.8 | 101.1 | 96.9 | -170.2 | 173.8 | -5.6 | 0 | 0 | 119.2 | |||||
| 366 | I | 32.5 | Very low | 33 | Very low | 143 Ų | 143 | 133.9 Ų | 133.9 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 48.7 | 124.5 | 136.3 | -48.5 | 170.9 | 0 | 0 | 0 | 122.1 | ||||
| 367 | Q | 29.5 | Very low | 33 | Very low | 175 Ų | 175 | 138.7 Ų | 138.7 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | 156.9 | 102.7 | 117 | -158.5 | 161.8 | -17.4 | 0 | 0 | 111 | |||||
| 368 | V | 35.3 | Very low | 33 | Very low | 120 Ų | 120 | 136.3 Ų | 136.3 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | 58.3 | 114.1 | 87 | -177.7 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 369 | D | 29.3 | Very low | 33.2 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | -158.7 | -179.4 | 128.3 | -147.4 | -96.2 | 0 | 0 | 0 | 111.8 | |||||
| 370 | S | 34.3 | Very low | 33.6 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | -139 | 153 | -164.7 | -53.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 371 | A | 33.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -167.9 | 145.7 | 154.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 372 | D | 34 | Very low | 34.5 | Very low | 150 Ų | 150 | 147.1 Ų | 147.1 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | trans | -73.8 | 153.3 | 170.7 | -50.9 | -110.4 | 0 | 0 | 0 | 113.7 | ||||
| 373 | H | 34.2 | Very low | 35.2 | Very low | 174 Ų | 174 | 148.3 Ų | 148.3 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | -172.3 | 148.9 | 109.5 | -128.9 | 55 | 0 | 0 | 0 | 115.7 | |||||
| 374 | V | 38.6 | Very low | 36.3 | Very low | 129 Ų | 129 | 155.7 Ų | 155.7 | 78% | 0.782 | 80% | 0.799 | S | S | * | * | trans | -150.8 | 129 | 170.6 | -179.2 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 375 | P | 49.3 | Very low | 36.6 | Very low | 102 Ų | 102 | 155.8 Ų | 155.8 | 66% | 0.662 | 80% | 0.803 | S | S | * | * | -163.1 | 149.6 | 80.8 | 41.8 | -19.1 | 0 | 0 | 0 | 121.7 | |||||
| 376 | A | 33.2 | Very low | 36.9 | Very low | 78 Ų | 78 | 156.1 Ų | 156.1 | 65% | 0.645 | 81% | 0.808 | S | S | * | * | 65.9 | 159.6 | 126.8 | 0 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 377 | Y | 33.1 | Very low | 37.2 | Very low | 226 Ų | 226 | 156.8 Ų | 156.8 | 89% | 0.886 | 81% | 0.812 | S | S | * | * | trans | 73.1 | 153.7 | 168.6 | -65.4 | -74.2 | 0 | 0 | 0 | 117.7 | ||||
| 378 | S | 33.8 | Very low | 37.6 | Very low | 110 Ų | 110 | 155.7 Ų | 155.7 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | cis | -141.7 | 165.4 | 17 | 62.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 379 | Y | 34.6 | Very low | 37.8 | Very low | 207 Ų | 207 | 157.9 Ų | 157.9 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | trans | -74.5 | 157.5 | 167.2 | -97.1 | -113 | 0 | 0 | 0 | 111.8 | ||||
| 380 | Q | 39.8 | Very low | 38.3 | Very low | 177 Ų | 177 | 158.2 Ų | 158.2 | 83% | 0.827 | 82% | 0.817 | S | S | * | * | trans | -142.6 | 109.9 | 155 | -137.8 | -177.1 | 51.3 | 0 | 0 | 113.2 | ||||
| 381 | S | 35.1 | Very low | 38.6 | Very low | 111 Ų | 111 | 162.1 Ų | 162.1 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -91.7 | 142.6 | 168.5 | -61.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 382 | K | 46 | Very low | 39 | Very low | 193 Ų | 193 | 166.8 Ų | 166.8 | 84% | 0.839 | 82% | 0.823 | S | S | * | * | trans | -108.8 | 126.9 | 169.1 | -75.9 | -177.9 | 176.4 | 177.2 | 0 | 111 | ||||
| 383 | K | 45.1 | Very low | 39.4 | Very low | 199 Ų | 199 | 168.3 Ų | 168.3 | 87% | 0.865 | 83% | 0.825 | S | S | * | * | trans | -124.7 | 142.2 | 154.6 | -83.7 | -166.7 | 175.3 | -171.7 | 0 | 107.8 | ||||
| 384 | Y | 50.5 | Low | 39.9 | Very low | 313 Ų | 313 | 167.7 Ų | 167.7 | 100% | 1.227 | 83% | 0.826 | S | S | * | * | trans | -144.1 | 0 | 136.6 | -99.9 | -75.5 | 0 | 0 | 0 | 107 |
Retrieved 384 of 384 residues in 363.3 ms
(Link to these results)