| 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 | 80.3 | Confident | 81.9 | Confident | 193 Ų | 193 | 109.8 Ų | 109.8 | 95% | 0.951 | 58% | 0.578 | S | S | * | * | 0 | -55.7 | 0 | -64.9 | -55 | 156.3 | 0 | 0 | 111.8 | L3 I4 S5 | M1-L3 PolarHBondContact O-N 3.2Å; M1-I4 PolarHBondContact O-N 3.24Å; M1-S5 PolarHBondContact O-N 3.09Å; M1-S5 PolarHBondContact O-OG 3.43Å | |||
| 2 | T | 88.1 | Confident | 80.6 | Confident | 103 Ų | 103 | 107.1 Ų | 107.1 | 63% | 0.632 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -57.6 | -45.8 | -177.6 | 50.1 | 0 | 0 | 0 | 0 | 115.4 | I4 S5 I6 | T2-I4 PolarHBondContact O-N 3.25Å; T2-S5 VanDerWaalsContact C-OG 3.29Å; T2-S5 VanDerWaalsContact CA-OG 3.28Å; T2-S5 WeakPolarHBondContact CA-OG 3.18Å; T2-S5 PolarHBondContact O-N 3.1Å; T2-S5 PolarHBondContact O-OG 3.25Å; T2-I6 WeakPolarHBondContact O-CG1 3.42Å; T2-I6 PolarHBondContact O-N 3.34Å |
| 3 | L | 84.2 | Confident | 78.9 | Confident | 138 Ų | 138 | 104.9 Ų | 104.9 | 72% | 0.723 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.7 | -39.7 | 179.1 | -83.9 | 156.1 | 0 | 0 | 0 | 113.3 | M1 I6 L7 | M1-L3 PolarHBondContact O-N 3.2Å; L3-I6 PolarHBondContact O-N 3.31Å; L3-L7 PolarHBondContact O-N 3.26Å |
| 4 | I | 86.6 | Confident | 77.2 | Confident | 98 Ų | 98 | 102.6 Ų | 102.6 | 50% | 0.503 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.6 | -44.1 | 179.2 | -66.2 | 163.6 | 0 | 0 | 0 | 109.7 | M1 T2 I6 L7 F8 | M1-I4 PolarHBondContact O-N 3.24Å; T2-I4 PolarHBondContact O-N 3.25Å; I4-I6 VanDerWaalsContact C-N 3.34Å; I4-I6 PolarHBondContact O-N 2.96Å; I4-L7 PolarHBondContact O-N 3.06Å; I4-F8 HydrophobicContact CG2-CD2 3.72Å; I4-F8 HydrophobicContact CG2-CE2 3.74Å; I4-F8 WeakPolarHBondContact O-CD2 3.49Å; I4-F8 PolarHBondContact O-N 3.19Å |
| 5 | S | 84.2 | Confident | 75.2 | Confident | 58 Ų | 58 | 100.1 Ų | 100.1 | 41% | 0.406 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.2 | -39.6 | 175.2 | 32.2 | 0 | 0 | 0 | 0 | 112.9 | M1 T2 L7 F8 I9 | M1-S5 PolarHBondContact O-N 3.09Å; M1-S5 PolarHBondContact O-OG 3.43Å; T2-S5 VanDerWaalsContact C-OG 3.29Å; T2-S5 VanDerWaalsContact CA-OG 3.28Å; T2-S5 WeakPolarHBondContact CA-OG 3.18Å; T2-S5 PolarHBondContact O-N 3.1Å; T2-S5 PolarHBondContact O-OG 3.25Å; S5-L7 VanDerWaalsContact C-N 3.35Å; S5-F8 PolarHBondContact O-N 3.14Å; S5-I9 WeakPolarHBondContact O-CD1 3.42Å; S5-I9 VanDerWaalsContact O-CG1 3.25Å; S5-I9 WeakPolarHBondContact O-CG1 3.12Å; S5-I9 PolarHBondContact O-N 3.48Å |
| 6 | I | 83.7 | Confident | 73.6 | Confident | 102 Ų | 102 | 101.7 Ų | 101.7 | 52% | 0.523 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.9 | -43.5 | 175.4 | -65.6 | 163.7 | 0 | 0 | 0 | 110.2 | T2 L3 I4 F8 I9 T10 | T2-I6 WeakPolarHBondContact O-CG1 3.42Å; T2-I6 PolarHBondContact O-N 3.34Å; L3-I6 PolarHBondContact O-N 3.31Å; I4-I6 VanDerWaalsContact C-N 3.34Å; I4-I6 PolarHBondContact O-N 2.96Å; I6-F8 PolarHBondContact O-N 3.26Å; I6-I9 PolarHBondContact O-N 3.05Å; I6-T10 HydrophobicContact CG2-CG2 4.35Å; I6-T10 WeakPolarHBondContact O-CG2 3.12Å; I6-T10 PolarHBondContact O-N 3.23Å; I6-T10 PolarHBondContact O-OG1 3.49Å; I6-T10 VanDerWaalsContact O-OG1 3.11Å |
| 7 | L | 82.8 | Confident | 71.9 | Confident | 100 Ų | 100 | 103.7 Ų | 103.7 | 52% | 0.524 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.2 | -40.7 | 177.2 | -174.3 | 67.2 | 0 | 0 | 0 | 112.3 | L3 I4 S5 T10 I11 | L3-L7 PolarHBondContact O-N 3.26Å; I4-L7 PolarHBondContact O-N 3.06Å; S5-L7 VanDerWaalsContact C-N 3.35Å; L7-T10 WeakPolarHBondContact CA-OG1 2.97Å; L7-T10 PolarHBondContact O-N 3.14Å; L7-T10 PolarHBondContact O-OG1 3.21Å; L7-I11 HydrophobicContact CD1-CD1 3.94Å; L7-I11 HydrophobicContact CD1-CG1 4.25Å; L7-I11 HydrophobicContact CD2-CD1 4.33Å; L7-I11 HydrophobicContact CG-CD1 3.71Å; L7-I11 HydrophobicContact CG-CG1 4.37Å; L7-I11 WeakPolarHBondContact O-CB 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.15Å; L7-I11 PolarHBondContact O-N 3.21Å |
| 8 | F | 81.5 | Confident | 70.1 | Confident | 146 Ų | 146 | 107.1 Ų | 107.1 | 64% | 0.64 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.9 | -40.3 | 175.8 | -91.8 | -79.2 | 0 | 0 | 0 | 112.5 | I4 S5 I6 S12 | I4-F8 HydrophobicContact CG2-CD2 3.72Å; I4-F8 HydrophobicContact CG2-CE2 3.74Å; I4-F8 WeakPolarHBondContact O-CD2 3.49Å; I4-F8 PolarHBondContact O-N 3.19Å; S5-F8 PolarHBondContact O-N 3.14Å; I6-F8 PolarHBondContact O-N 3.26Å; F8-S12 WeakPolarHBondContact O-CB 3.3Å; F8-S12 PolarHBondContact O-N 3.28Å |
| 9 | I | 79.8 | Confident | 68.8 | Low | 119 Ų | 119 | 109.6 Ų | 109.6 | 61% | 0.61 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.2 | -41.9 | 177.1 | -66.4 | 163.5 | 0 | 0 | 0 | 110.2 | S5 I6 S13 | S5-I9 WeakPolarHBondContact O-CD1 3.42Å; S5-I9 VanDerWaalsContact O-CG1 3.25Å; S5-I9 WeakPolarHBondContact O-CG1 3.12Å; S5-I9 PolarHBondContact O-N 3.48Å; I6-I9 PolarHBondContact O-N 3.05Å; I9-S13 WeakPolarHBondContact O-CB 3.2Å; I9-S13 PolarHBondContact O-N 3.17Å |
| 10 | T | 77.6 | Confident | 67.9 | Low | 69 Ų | 69 | 107 Ų | 107 | 42% | 0.423 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -70.3 | -40.9 | 178.5 | 55.9 | 0 | 0 | 0 | 0 | 112.1 | I6 L7 S13 T14 | I6-T10 HydrophobicContact CG2-CG2 4.35Å; I6-T10 WeakPolarHBondContact O-CG2 3.12Å; I6-T10 PolarHBondContact O-N 3.23Å; I6-T10 PolarHBondContact O-OG1 3.49Å; I6-T10 VanDerWaalsContact O-OG1 3.11Å; L7-T10 WeakPolarHBondContact CA-OG1 2.97Å; L7-T10 PolarHBondContact O-N 3.14Å; L7-T10 PolarHBondContact O-OG1 3.21Å; T10-S13 PolarHBondContact O-N 2.63Å; T10-T14 WeakPolarHBondContact O-CB 3.19Å; T10-T14 VanDerWaalsContact O-CG2 3.27Å; T10-T14 WeakPolarHBondContact O-CG2 3.5Å; T10-T14 PolarHBondContact O-N 3.34Å; T10-T14 PolarHBondContact O-OG1 3.26Å |
| 11 | I | 72 | Confident | 66.9 | Low | 82 Ų | 82 | 104.4 Ų | 104.4 | 42% | 0.421 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -65.7 | -45.1 | 174.2 | -66.9 | 169.7 | 0 | 0 | 0 | 110.3 | L7 S13 T14 C15 | L7-I11 HydrophobicContact CD1-CD1 3.94Å; L7-I11 HydrophobicContact CD1-CG1 4.25Å; L7-I11 HydrophobicContact CD2-CD1 4.33Å; L7-I11 HydrophobicContact CG-CD1 3.71Å; L7-I11 HydrophobicContact CG-CG1 4.37Å; L7-I11 WeakPolarHBondContact O-CB 3.24Å; L7-I11 WeakPolarHBondContact O-CG1 3.15Å; L7-I11 PolarHBondContact O-N 3.21Å; I11-S13 PolarHBondContact O-N 3.23Å; I11-T14 WeakPolarHBondContact CA-OG1 3.24Å; I11-T14 PolarHBondContact O-N 3.2Å; I11-T14 PolarHBondContact O-OG1 3.08Å; I11-C15 WeakPolarHBondContact O-CB 3.14Å; I11-C15 PolarHBondContact O-N 3.31Å |
| 12 | S | 66.9 | Low | 65.4 | Low | 77 Ų | 77 | 97.3 Ų | 97.3 | 54% | 0.538 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 111.3 | F8 T14 C15 L16 | F8-S12 WeakPolarHBondContact O-CB 3.3Å; F8-S12 PolarHBondContact O-N 3.28Å; S12-T14 PolarHBondContact O-N 3.07Å; S12-C15 PolarHBondContact O-N 3.15Å; S12-L16 VanDerWaalsContact O-CB 3.3Å; S12-L16 WeakPolarHBondContact O-CB 3.15Å; S12-L16 PolarHBondContact O-N 3.22Å |
| 13 | S | 58.4 | Low | 63.6 | Low | 79 Ų | 79 | 98.5 Ų | 98.5 | 55% | 0.552 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.9 | -36 | 177.8 | -170.6 | 0 | 0 | 0 | 0 | 112.7 | I9 T10 I11 F17 | I9-S13 WeakPolarHBondContact O-CB 3.2Å; I9-S13 PolarHBondContact O-N 3.17Å; T10-S13 PolarHBondContact O-N 2.63Å; I11-S13 PolarHBondContact O-N 3.23Å; S13-F17 PolarHBondContact O-N 2.77Å |
| 14 | T | 54.1 | Low | 62.1 | Low | 72 Ų | 72 | 93.1 Ų | 93.1 | 44% | 0.442 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -76.4 | -39.8 | 175.9 | 51.5 | 0 | 0 | 0 | 0 | 111.6 | T10 I11 S12 L16 F17 F18 | T10-T14 WeakPolarHBondContact O-CB 3.19Å; T10-T14 VanDerWaalsContact O-CG2 3.27Å; T10-T14 WeakPolarHBondContact O-CG2 3.5Å; T10-T14 PolarHBondContact O-N 3.34Å; T10-T14 PolarHBondContact O-OG1 3.26Å; I11-T14 WeakPolarHBondContact CA-OG1 3.24Å; I11-T14 PolarHBondContact O-N 3.2Å; I11-T14 PolarHBondContact O-OG1 3.08Å; S12-T14 PolarHBondContact O-N 3.07Å; T14-L16 PolarHBondContact O-N 3.42Å; T14-F17 WeakPolarHBondContact O-CA 3.41Å; T14-F17 VanDerWaalsContact O-CB 3.31Å; T14-F17 WeakPolarHBondContact O-CB 3.25Å; T14-F17 PolarHBondContact O-N 3.39Å; T14-F17 VanDerWaalsContact O-N 3.14Å; T14-F18 WeakPolarHBondContact O-CD2 3.24Å; T14-F18 PolarHBondContact O-N 3.38Å |
| 15 | C | 48.2 | Very low | 60.5 | Low | 66 Ų | 66 | 94.1 Ų | 94.1 | 45% | 0.446 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 171.5 | -88 | 0 | 0 | 0 | 0 | 111.3 | I11 S12 F17 F18 Q19 | I11-C15 WeakPolarHBondContact O-CB 3.14Å; I11-C15 PolarHBondContact O-N 3.31Å; S12-C15 PolarHBondContact O-N 3.15Å; C15-F17 PolarHBondContact O-N 2.87Å; C15-F18 CarbonylContact O-C 3.49Å; C15-F18 PolarHBondContact O-N 3.38Å; C15-F18 VanDerWaalsContact O-N 3.1Å; C15-Q19 WeakPolarHBondContact O-CB 3.28Å; C15-Q19 PolarHBondContact O-N 3.49Å |
| 16 | L | 48.7 | Very low | 59.1 | Low | 125 Ų | 125 | 95 Ų | 95 | 65% | 0.654 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.2 | -37.6 | 175.7 | -153.4 | 85.9 | 0 | 0 | 0 | 111.1 | S12 T14 | S12-L16 VanDerWaalsContact O-CB 3.3Å; S12-L16 WeakPolarHBondContact O-CB 3.15Å; S12-L16 PolarHBondContact O-N 3.22Å; T14-L16 PolarHBondContact O-N 3.42Å |
| 17 | F | 44.6 | Very low | 57.9 | Low | 136 Ų | 136 | 92.5 Ų | 92.5 | 60% | 0.596 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -64.8 | -43.6 | 174.4 | -163.3 | -96.8 | 0 | 0 | 0 | 111.8 | S13 T14 C15 T20 | S13-F17 PolarHBondContact O-N 2.77Å; T14-F17 WeakPolarHBondContact O-CA 3.41Å; T14-F17 VanDerWaalsContact O-CB 3.31Å; T14-F17 WeakPolarHBondContact O-CB 3.25Å; T14-F17 PolarHBondContact O-N 3.39Å; T14-F17 VanDerWaalsContact O-N 3.14Å; C15-F17 PolarHBondContact O-N 2.87Å; F17-T20 PolarHBondContact O-OG1 2.9Å |
| 18 | F | 39.6 | Very low | 56.8 | Low | 164 Ų | 164 | 93.7 Ų | 93.7 | 72% | 0.719 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -73.3 | -27.6 | 179.1 | -82.7 | -69.7 | 0 | 0 | 0 | 114.2 | T14 C15 T20 G21 | T14-F18 WeakPolarHBondContact O-CD2 3.24Å; T14-F18 PolarHBondContact O-N 3.38Å; C15-F18 CarbonylContact O-C 3.49Å; C15-F18 PolarHBondContact O-N 3.38Å; C15-F18 VanDerWaalsContact O-N 3.1Å; F18-T20 PolarHBondContact O-N 3.49Å; F18-G21 PolarHBondContact O-N 3.41Å |
| 19 | Q | 45.4 | Very low | 56 | Low | 156 Ų | 156 | 90.7 Ų | 90.7 | 73% | 0.729 | 55% | 0.549 | S | S | * | . | G | 310 helix | trans | -74 | -6.7 | -176.1 | -149.6 | 156.3 | -4.5 | 0 | 0 | 113.3 | C15 G21 | C15-Q19 WeakPolarHBondContact O-CB 3.28Å; C15-Q19 PolarHBondContact O-N 3.49Å; Q19-G21 PolarHBondContact O-N 2.85Å |
| 20 | T | 51.1 | Low | 55.3 | Low | 56 Ų | 56 | 86.5 Ų | 86.5 | 34% | 0.344 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -71.5 | -5.7 | 169.6 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | F17 F18 G22 A33 | F17-T20 PolarHBondContact O-OG1 2.9Å; F18-T20 PolarHBondContact O-N 3.49Å; T20-G22 PolarHBondContact O-N 2.78Å; T20-G22 VanDerWaalsContact O-N 3.11Å; T20-A33 CarbonylContact C-O 3.52Å |
| 21 | G | 47.2 | Very low | 54.8 | Low | 54 Ų | 54 | 88.2 Ų | 88.2 | 56% | 0.557 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -64.3 | 1.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 117.9 | F18 Q19 A33 | F18-G21 PolarHBondContact O-N 3.41Å; Q19-G21 PolarHBondContact O-N 2.85Å; G21-A33 WeakPolarHBondContact CA-O 3.32Å |
| 22 | G | 49.7 | Very low | 54.4 | Low | 44 Ų | 44 | 86.5 Ų | 86.5 | 45% | 0.454 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -91 | 165.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | T20 G24 | T20-G22 PolarHBondContact O-N 2.78Å; T20-G22 VanDerWaalsContact O-N 3.11Å; G22-G24 PolarHBondContact O-N 3.44Å; G22-G24 VanDerWaalsContact O-N 3.13Å |
| 23 | V | 49.2 | Very low | 54.4 | Low | 127 Ų | 127 | 85.2 Ų | 85.2 | 77% | 0.77 | 52% | 0.523 | S | S | * | . | trans | -70.7 | 99.9 | 166.3 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | L35 | V23-L35 VanDerWaalsContact CA-O 3.27Å; V23-L35 WeakPolarHBondContact CA-O 3.16Å; V23-L35 HydrophobicContact CG2-CB 4.24Å; V23-L35 HydrophobicContact CG2-CD1 4.46Å | ||
| 24 | G | 52.4 | Low | 54.9 | Low | 26 Ų | 26 | 82.9 Ų | 82.9 | 27% | 0.268 | 51% | 0.512 | S | S | . | . | B | Isolated β-bridge | trans | -121.6 | 147.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G22 L35 G36 V37 | G22-G24 PolarHBondContact O-N 3.44Å; G22-G24 VanDerWaalsContact O-N 3.13Å; G24-L35 PolarHBondContact N-O 3.42Å; G24-G36 VanDerWaalsContact O-CA 3.31Å; G24-G36 WeakPolarHBondContact O-CA 3.42Å; G24-V37 PolarHBondContact O-N 3.41Å |
| 25 | V | 53.8 | Low | 55.4 | Low | 119 Ų | 119 | 83.8 Ų | 83.8 | 72% | 0.721 | 51% | 0.514 | S | S | * | . | trans | -119.5 | 96.4 | 170.8 | -168.9 | 0 | 0 | 0 | 0 | 108.6 | V37 | V25-V37 WeakPolarHBondContact CA-O 3.38Å; V25-V37 WeakPolarHBondContact CG1-O 3.39Å | ||
| 26 | D | 55.1 | Low | 56.1 | Low | 75 Ų | 75 | 82 Ų | 82 | 40% | 0.401 | 51% | 0.506 | S | S | . | . | trans | -136.9 | 141.7 | 178 | -7.5 | -80.8 | 0 | 0 | 0 | 112.9 | K32 G38 | D26-K32 PolarHBondContact O-NZ 3.07Å; D26-K32 VanDerWaalsContact OD2-CE 3.23Å; D26-K32 WeakPolarHBondContact OD2-CE 3.16Å; D26-K32 IonicContact OD2-NZ 2.64Å; D26-K32 PolarHBondContact OD2-NZ 3.18Å; D26-G38 WeakPolarHBondContact O-CA 3.29Å | ||
| 27 | G | 59 | Low | 57 | Low | 51 Ų | 51 | 79.6 Ų | 79.6 | 53% | 0.526 | 50% | 0.496 | S | S | . | . | trans | -91.8 | 0.5 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | D39 | G27-D39 CarbonylContact C-O 3.53Å; G27-D39 VanDerWaalsContact C-O 3.23Å; G27-D39 VanDerWaalsContact CA-O 3.22Å; G27-D39 WeakPolarHBondContact CA-O 3.1Å | ||
| 28 | D | 58.7 | Low | 57.9 | Low | 125 Ų | 125 | 73.4 Ų | 73.4 | 67% | 0.668 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -99.2 | 160.2 | -170.6 | -64 | -48.7 | 0 | 0 | 0 | 114.3 | ||
| 29 | A | 65.5 | Low | 59.4 | Low | 83 Ų | 83 | 69.8 Ų | 69.8 | 69% | 0.686 | 46% | 0.459 | S | S | * | . | trans | -71.2 | 128.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | A41 | A29-A41 WeakPolarHBondContact CA-O 3.48Å; A29-A41 WeakPolarHBondContact CB-O 3.48Å | ||
| 30 | G | 65 | Low | 60.5 | Low | 30 Ų | 30 | 63.5 Ų | 63.5 | 31% | 0.309 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 179.8 | 175.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.4 | A41 G42 I43 | G30-A41 PolarHBondContact N-O 3.21Å; G30-G42 WeakPolarHBondContact O-CA 3.22Å; G30-I43 PolarHBondContact O-N 2.84Å |
| 31 | I | 66.3 | Low | 61.5 | Low | 105 Ų | 105 | 63.2 Ų | 63.2 | 54% | 0.538 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.3 | 172.3 | -56 | 176.6 | 0 | 0 | 0 | 107.5 | I43 | I31-I43 WeakPolarHBondContact CA-O 3.28Å; I31-I43 HydrophobicContact CG1-CB 4.39Å |
| 32 | K | 63.8 | Low | 62.6 | Low | 47 Ų | 47 | 61.7 Ų | 61.7 | 20% | 0.204 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 134.4 | 179.5 | -59.2 | -179.7 | -169.8 | 173.8 | 0 | 110.3 | D26 I43 K44 A45 | D26-K32 PolarHBondContact O-NZ 3.07Å; D26-K32 VanDerWaalsContact OD2-CE 3.23Å; D26-K32 WeakPolarHBondContact OD2-CE 3.16Å; D26-K32 IonicContact OD2-NZ 2.64Å; D26-K32 PolarHBondContact OD2-NZ 3.18Å; K32-I43 PolarHBondContact N-O 2.9Å; K32-K44 WeakPolarHBondContact O-CA 3.02Å; K32-A45 PolarHBondContact O-N 3.15Å |
| 33 | A | 66.8 | Low | 63.6 | Low | 49 Ų | 49 | 63.9 Ų | 63.9 | 41% | 0.405 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 117.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | T20 G21 A45 | T20-A33 CarbonylContact C-O 3.52Å; G21-A33 WeakPolarHBondContact CA-O 3.32Å; A33-A45 CarbonylContact C-O 3.59Å; A33-A45 VanDerWaalsContact CA-O 3.24Å; A33-A45 WeakPolarHBondContact CA-O 3.39Å |
| 34 | G | 68.7 | Low | 64.5 | Low | 30 Ų | 30 | 59.9 Ų | 59.9 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.9 | -162.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | A45 G46 L47 | G34-A45 PolarHBondContact N-O 3.14Å; G34-G46 WeakPolarHBondContact O-CA 3.42Å; G34-L47 PolarHBondContact O-N 3.06Å |
| 35 | L | 64.8 | Low | 65.4 | Low | 92 Ų | 92 | 61.1 Ų | 61.1 | 48% | 0.482 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 128.7 | 172.7 | -57 | 178.1 | 0 | 0 | 0 | 108.6 | V23 G24 L47 | V23-L35 VanDerWaalsContact CA-O 3.27Å; V23-L35 WeakPolarHBondContact CA-O 3.16Å; V23-L35 HydrophobicContact CG2-CB 4.24Å; V23-L35 HydrophobicContact CG2-CD1 4.46Å; G24-L35 PolarHBondContact N-O 3.42Å; L35-L47 VanDerWaalsContact CA-O 3.27Å; L35-L47 WeakPolarHBondContact CA-O 3.12Å; L35-L47 HydrophobicContact CD2-CB 3.44Å; L35-L47 VanDerWaalsContact CD2-CB 3.44Å; L35-L47 HydrophobicContact CD2-CD1 3.54Å; L35-L47 HydrophobicContact CD2-CG 3.6Å |
| 36 | G | 63.7 | Low | 66.3 | Low | 27 Ų | 27 | 57.1 Ų | 57.1 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.5 | 155.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | G24 L47 G48 L49 | G24-G36 VanDerWaalsContact O-CA 3.31Å; G24-G36 WeakPolarHBondContact O-CA 3.42Å; G36-L47 PolarHBondContact N-O 3.32Å; G36-L47 VanDerWaalsContact N-O 3.11Å; G36-G48 CarbonylContact O-C 3.58Å; G36-G48 WeakPolarHBondContact O-CA 3.08Å; G36-L49 PolarHBondContact O-N 3.3Å; G36-L49 VanDerWaalsContact O-N 3.08Å |
| 37 | V | 66.4 | Low | 66.9 | Low | 76 Ų | 76 | 57.7 Ų | 57.7 | 46% | 0.461 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 122.7 | 171 | -178 | 0 | 0 | 0 | 0 | 107.1 | G24 V25 L49 | G24-V37 PolarHBondContact O-N 3.41Å; V25-V37 WeakPolarHBondContact CA-O 3.38Å; V25-V37 WeakPolarHBondContact CG1-O 3.39Å; V37-L49 CarbonylContact C-O 3.56Å; V37-L49 VanDerWaalsContact CA-O 3.24Å; V37-L49 WeakPolarHBondContact CA-O 3.36Å; V37-L49 HydrophobicContact CG1-CB 4.15Å; V37-L49 HydrophobicContact CG2-CB 4.07Å; V37-L49 HydrophobicContact CG2-CD1 4.3Å; V37-L49 HydrophobicContact CG2-CG 4.45Å |
| 38 | G | 64.2 | Low | 67.3 | Low | 6 Ų | 6 | 56.7 Ų | 56.7 | 6% | 0.062 | 38% | 0.38 | C | S | . | . | trans | -174.3 | 146.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | D26 K44 L49 G50 | D26-G38 WeakPolarHBondContact O-CA 3.29Å; G38-K44 PolarHBondContact O-NZ 3.3Å; G38-L49 PolarHBondContact N-O 2.91Å; G38-G50 WeakPolarHBondContact O-CA 3.28Å | ||
| 39 | D | 70.7 | Confident | 67.8 | Low | 87 Ų | 87 | 55.2 Ų | 55.2 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | trans | -92.5 | 162.2 | 177.1 | -59.2 | -32.3 | 0 | 0 | 0 | 110.2 | G27 V51 | G27-D39 CarbonylContact C-O 3.53Å; G27-D39 VanDerWaalsContact C-O 3.23Å; G27-D39 VanDerWaalsContact CA-O 3.22Å; G27-D39 WeakPolarHBondContact CA-O 3.1Å; D39-V51 CarbonylContact C-O 3.51Å; D39-V51 WeakPolarHBondContact CA-O 3.4Å; D39-V51 WeakPolarHBondContact CB-O 3.2Å; D39-V51 WeakPolarHBondContact OD1-CA 3.31Å; D39-V51 VanDerWaalsContact OD1-CB 3.31Å; D39-V51 WeakPolarHBondContact OD1-CB 3.15Å; D39-V51 PolarHBondContact OD1-N 2.94Å | ||
| 40 | G | 69.6 | Low | 67.8 | Low | 25 Ų | 25 | 51.7 Ų | 51.7 | 26% | 0.258 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 116.2 | 176.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115 | V51 G52 | G40-V51 PolarHBondContact N-O 3.12Å; G40-G52 WeakPolarHBondContact O-CA 3.3Å |
| 41 | A | 72 | Confident | 68.1 | Low | 50 Ų | 50 | 53.8 Ų | 53.8 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -101.2 | 129.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113 | A29 G30 A53 | A29-A41 WeakPolarHBondContact CA-O 3.48Å; A29-A41 WeakPolarHBondContact CB-O 3.48Å; G30-A41 PolarHBondContact N-O 3.21Å; A41-A53 CarbonylContact C-O 3.51Å; A41-A53 WeakPolarHBondContact CA-O 3.13Å |
| 42 | G | 70.5 | Confident | 68.3 | Low | 21 Ų | 21 | 49.5 Ų | 49.5 | 22% | 0.216 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 169.5 | -171 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | G30 A53 G54 V55 | G30-G42 WeakPolarHBondContact O-CA 3.22Å; G42-A53 PolarHBondContact N-O 2.9Å; G42-G54 WeakPolarHBondContact O-CA 3.34Å; G42-V55 PolarHBondContact O-N 3.25Å; G42-V55 VanDerWaalsContact O-N 3.11Å |
| 43 | I | 70.5 | Confident | 68.8 | Low | 91 Ų | 91 | 49.5 Ų | 49.5 | 47% | 0.467 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 112.8 | 176.7 | -55 | 177.4 | 0 | 0 | 0 | 107.7 | G30 I31 K32 V55 | G30-I43 PolarHBondContact O-N 2.84Å; I31-I43 WeakPolarHBondContact CA-O 3.28Å; I31-I43 HydrophobicContact CG1-CB 4.39Å; K32-I43 PolarHBondContact N-O 2.9Å; I43-V55 CarbonylContact C-O 3.45Å; I43-V55 VanDerWaalsContact CA-O 3.29Å; I43-V55 WeakPolarHBondContact CA-O 3.43Å; I43-V55 HydrophobicContact CG1-CB 4.36Å; I43-V55 HydrophobicContact CG2-CB 4.49Å |
| 44 | K | 67.7 | Low | 69.2 | Low | 42 Ų | 42 | 48.4 Ų | 48.4 | 18% | 0.183 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 128.6 | 179.5 | -60.5 | -175 | -177.8 | -174.1 | 0 | 109.7 | K32 G38 V55 K56 G57 | K32-K44 WeakPolarHBondContact O-CA 3.02Å; G38-K44 PolarHBondContact O-NZ 3.3Å; K44-V55 PolarHBondContact N-O 3.31Å; K44-K56 HydrophobicContact CB-CG 4.41Å; K44-K56 CarbonylContact O-C 3.49Å; K44-K56 VanDerWaalsContact O-CA 3.31Å; K44-K56 WeakPolarHBondContact O-CA 3.11Å; K44-G57 PolarHBondContact O-N 3.25Å |
| 45 | A | 70.2 | Confident | 69.4 | Low | 52 Ų | 52 | 50.4 Ų | 50.4 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 122.3 | 172 | 0 | 0 | 0 | 0 | 0 | 110 | K32 A33 G34 G57 | K32-A45 PolarHBondContact O-N 3.15Å; A33-A45 CarbonylContact C-O 3.59Å; A33-A45 VanDerWaalsContact CA-O 3.24Å; A33-A45 WeakPolarHBondContact CA-O 3.39Å; G34-A45 PolarHBondContact N-O 3.14Å; A45-G57 CarbonylContact C-O 3.57Å; A45-G57 VanDerWaalsContact CA-O 3.29Å; A45-G57 WeakPolarHBondContact CA-O 3.03Å |
| 46 | G | 72.6 | Confident | 69.6 | Low | 35 Ų | 35 | 48 Ų | 48 | 36% | 0.361 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.7 | -154.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | G34 G57 G58 L59 | G34-G46 WeakPolarHBondContact O-CA 3.42Å; G46-G57 PolarHBondContact N-O 3.09Å; G46-G58 WeakPolarHBondContact O-CA 3.19Å; G46-L59 PolarHBondContact O-N 3.32Å |
| 47 | L | 69.3 | Low | 70 | Confident | 87 Ų | 87 | 48.2 Ų | 48.2 | 46% | 0.455 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 124.7 | 175.5 | -44.7 | 175.8 | 0 | 0 | 0 | 110.1 | G34 L35 G36 L59 | G34-L47 PolarHBondContact O-N 3.06Å; L35-L47 VanDerWaalsContact CA-O 3.27Å; L35-L47 WeakPolarHBondContact CA-O 3.12Å; L35-L47 HydrophobicContact CD2-CB 3.44Å; L35-L47 VanDerWaalsContact CD2-CB 3.44Å; L35-L47 HydrophobicContact CD2-CD1 3.54Å; L35-L47 HydrophobicContact CD2-CG 3.6Å; G36-L47 PolarHBondContact N-O 3.32Å; G36-L47 VanDerWaalsContact N-O 3.11Å; L47-L59 WeakPolarHBondContact CA-O 3.46Å; L47-L59 HydrophobicContact CD2-CB 3.48Å; L47-L59 VanDerWaalsContact CD2-CB 3.48Å; L47-L59 HydrophobicContact CD2-CD1 3.28Å; L47-L59 HydrophobicContact CD2-CG 3.94Å |
| 48 | G | 66.4 | Low | 70.5 | Confident | 31 Ų | 31 | 46.3 Ų | 46.3 | 32% | 0.32 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.2 | 159.7 | 179 | 0 | 0 | 0 | 0 | 0 | 117.4 | G36 L59 G60 V61 | G36-G48 CarbonylContact O-C 3.58Å; G36-G48 WeakPolarHBondContact O-CA 3.08Å; G48-L59 PolarHBondContact N-O 3.27Å; G48-L59 VanDerWaalsContact N-O 3.12Å; G48-G60 CarbonylContact O-C 3.51Å; G48-G60 WeakPolarHBondContact O-CA 3.36Å; G48-V61 PolarHBondContact O-N 2.67Å; G48-V61 VanDerWaalsContact O-N 3.09Å |
| 49 | L | 68.3 | Low | 70.9 | Confident | 93 Ų | 93 | 50.3 Ų | 50.3 | 49% | 0.487 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 142 | 171.8 | -55.5 | 174.5 | 0 | 0 | 0 | 109.2 | G36 V37 G38 V61 | G36-L49 PolarHBondContact O-N 3.3Å; G36-L49 VanDerWaalsContact O-N 3.08Å; V37-L49 CarbonylContact C-O 3.56Å; V37-L49 VanDerWaalsContact CA-O 3.24Å; V37-L49 WeakPolarHBondContact CA-O 3.36Å; V37-L49 HydrophobicContact CG1-CB 4.15Å; V37-L49 HydrophobicContact CG2-CB 4.07Å; V37-L49 HydrophobicContact CG2-CD1 4.3Å; V37-L49 HydrophobicContact CG2-CG 4.45Å; G38-L49 PolarHBondContact N-O 2.91Å; L49-V61 VanDerWaalsContact CA-O 3.23Å; L49-V61 WeakPolarHBondContact CA-O 3.32Å; L49-V61 HydrophobicContact CD2-CB 3.48Å; L49-V61 VanDerWaalsContact CD2-CB 3.48Å; L49-V61 HydrophobicContact CD2-CG2 3.92Å |
| 50 | G | 66.6 | Low | 70.9 | Confident | 9 Ų | 9 | 47.6 Ų | 47.6 | 9% | 0.093 | 34% | 0.335 | C | S | . | . | trans | 159.6 | 165.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | G38 K56 V61 G62 V63 | G38-G50 WeakPolarHBondContact O-CA 3.28Å; G50-K56 PolarHBondContact O-NZ 3.42Å; G50-V61 PolarHBondContact N-O 3.36Å; G50-V61 VanDerWaalsContact N-O 3.15Å; G50-G62 WeakPolarHBondContact O-CA 3.23Å; G50-V63 PolarHBondContact O-N 2.64Å | ||
| 51 | V | 70.8 | Confident | 71 | Confident | 74 Ų | 74 | 49.9 Ų | 49.9 | 45% | 0.448 | 34% | 0.344 | S | S | . | . | trans | -106.1 | 122.7 | -176.1 | -173.9 | 0 | 0 | 0 | 0 | 110.2 | D39 G40 V63 | D39-V51 CarbonylContact C-O 3.51Å; D39-V51 WeakPolarHBondContact CA-O 3.4Å; D39-V51 WeakPolarHBondContact CB-O 3.2Å; D39-V51 WeakPolarHBondContact OD1-CA 3.31Å; D39-V51 VanDerWaalsContact OD1-CB 3.31Å; D39-V51 WeakPolarHBondContact OD1-CB 3.15Å; D39-V51 PolarHBondContact OD1-N 2.94Å; G40-V51 PolarHBondContact N-O 3.12Å; V51-V63 CarbonylContact C-O 3.51Å; V51-V63 WeakPolarHBondContact CA-O 2.99Å; V51-V63 HydrophobicContact CG1-CB 4.16Å; V51-V63 HydrophobicContact CG2-CB 4.15Å | ||
| 52 | G | 71.8 | Confident | 71 | Confident | 16 Ų | 16 | 47.9 Ų | 47.9 | 17% | 0.165 | 33% | 0.328 | C | S | . | . | trans | 166.6 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | G40 V63 G64 A65 | G40-G52 WeakPolarHBondContact O-CA 3.3Å; G52-V63 PolarHBondContact N-O 2.68Å; G52-G64 WeakPolarHBondContact O-CA 3.21Å; G52-A65 PolarHBondContact O-N 3.35Å | ||
| 53 | A | 72.9 | Confident | 71.1 | Confident | 47 Ų | 47 | 50.2 Ų | 50.2 | 39% | 0.388 | 34% | 0.338 | S | S | . | . | trans | -102.5 | 139 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A41 G42 A65 | A41-A53 CarbonylContact C-O 3.51Å; A41-A53 WeakPolarHBondContact CA-O 3.13Å; G42-A53 PolarHBondContact N-O 2.9Å; A53-A65 CarbonylContact C-O 3.53Å; A53-A65 WeakPolarHBondContact CA-O 3.06Å | ||
| 54 | G | 74.7 | Confident | 71.4 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 26% | 0.258 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 146.6 | -160.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | G42 A65 G66 V67 | G42-G54 WeakPolarHBondContact O-CA 3.34Å; G54-A65 PolarHBondContact N-O 3.23Å; G54-G66 CarbonylContact O-C 3.5Å; G54-G66 WeakPolarHBondContact O-CA 3.36Å; G54-V67 PolarHBondContact O-N 3.29Å |
| 55 | V | 73.5 | Confident | 71.7 | Confident | 73 Ų | 73 | 47.1 Ų | 47.1 | 44% | 0.442 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 114.1 | -176.2 | -174.5 | 0 | 0 | 0 | 0 | 109 | G42 I43 K44 V67 | G42-V55 PolarHBondContact O-N 3.25Å; G42-V55 VanDerWaalsContact O-N 3.11Å; I43-V55 CarbonylContact C-O 3.45Å; I43-V55 VanDerWaalsContact CA-O 3.29Å; I43-V55 WeakPolarHBondContact CA-O 3.43Å; I43-V55 HydrophobicContact CG1-CB 4.36Å; I43-V55 HydrophobicContact CG2-CB 4.49Å; K44-V55 PolarHBondContact N-O 3.31Å; V55-V67 CarbonylContact C-O 3.59Å; V55-V67 VanDerWaalsContact CA-O 3.25Å; V55-V67 WeakPolarHBondContact CA-O 3.27Å; V55-V67 HydrophobicContact CG1-CB 4.4Å; V55-V67 HydrophobicContact CG2-CB 4.3Å |
| 56 | K | 70.1 | Confident | 72.1 | Confident | 42 Ų | 42 | 45.7 Ų | 45.7 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 124.8 | 178 | -60.4 | -172.7 | 180 | -177.5 | 0 | 110.3 | K44 G50 V67 K68 A69 | K44-K56 HydrophobicContact CB-CG 4.41Å; K44-K56 CarbonylContact O-C 3.49Å; K44-K56 VanDerWaalsContact O-CA 3.31Å; K44-K56 WeakPolarHBondContact O-CA 3.11Å; G50-K56 PolarHBondContact O-NZ 3.42Å; K56-V67 PolarHBondContact N-O 3.4Å; K56-K68 HydrophobicContact CB-CG 4.31Å; K56-K68 CarbonylContact O-C 3.5Å; K56-K68 VanDerWaalsContact O-CA 3.29Å; K56-K68 WeakPolarHBondContact O-CA 3.41Å; K56-A69 PolarHBondContact O-N 3.4Å |
| 57 | G | 71.6 | Confident | 72.2 | Confident | 31 Ų | 31 | 47.3 Ų | 47.3 | 32% | 0.32 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 134 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | K44 A45 G46 A69 | K44-G57 PolarHBondContact O-N 3.25Å; A45-G57 CarbonylContact C-O 3.57Å; A45-G57 VanDerWaalsContact CA-O 3.29Å; A45-G57 WeakPolarHBondContact CA-O 3.03Å; G46-G57 PolarHBondContact N-O 3.09Å; G57-A69 CarbonylContact C-O 3.45Å; G57-A69 VanDerWaalsContact CA-O 3.3Å; G57-A69 WeakPolarHBondContact CA-O 3.11Å |
| 58 | G | 76.8 | Confident | 72.4 | Confident | 36 Ų | 36 | 45 Ų | 45 | 37% | 0.371 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 120.6 | -155.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | G46 A69 G70 L71 | G46-G58 WeakPolarHBondContact O-CA 3.19Å; G58-A69 PolarHBondContact N-O 3.1Å; G58-G70 WeakPolarHBondContact O-CA 3.38Å; G58-L71 PolarHBondContact O-N 2.98Å; G58-L71 VanDerWaalsContact O-N 3.15Å |
| 59 | L | 72.1 | Confident | 72.9 | Confident | 89 Ų | 89 | 46.1 Ų | 46.1 | 47% | 0.466 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 139.7 | 174.4 | -53.9 | 104.2 | 0 | 0 | 0 | 112.3 | G46 L47 G48 L71 | G46-L59 PolarHBondContact O-N 3.32Å; L47-L59 WeakPolarHBondContact CA-O 3.46Å; L47-L59 HydrophobicContact CD2-CB 3.48Å; L47-L59 VanDerWaalsContact CD2-CB 3.48Å; L47-L59 HydrophobicContact CD2-CD1 3.28Å; L47-L59 HydrophobicContact CD2-CG 3.94Å; G48-L59 PolarHBondContact N-O 3.27Å; G48-L59 VanDerWaalsContact N-O 3.12Å; L59-L71 CarbonylContact C-O 3.51Å; L59-L71 WeakPolarHBondContact CA-O 3.1Å; L59-L71 HydrophobicContact CB-CB 4.48Å; L59-L71 WeakPolarHBondContact CB-O 3.31Å; L59-L71 HydrophobicContact CD2-CB 3.49Å; L59-L71 VanDerWaalsContact CD2-CB 3.49Å; L59-L71 HydrophobicContact CD2-CD1 3.7Å; L59-L71 HydrophobicContact CD2-CG 4.17Å; L59-L71 HydrophobicContact CG-CB 3.8Å; L59-L71 HydrophobicContact CG-CD1 4.31Å; L59-L71 HydrophobicContact CG-CG 4.49Å |
| 60 | G | 70.4 | Confident | 73.3 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 31% | 0.309 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -177.5 | 166.1 | 175 | 0 | 0 | 0 | 0 | 0 | 116.2 | G48 L71 G72 V73 | G48-G60 CarbonylContact O-C 3.51Å; G48-G60 WeakPolarHBondContact O-CA 3.36Å; G60-L71 PolarHBondContact N-O 3.46Å; G60-L71 VanDerWaalsContact N-O 3.1Å; G60-G72 CarbonylContact O-C 3.23Å; G60-G72 WeakPolarHBondContact O-CA 3.14Å; G60-V73 PolarHBondContact O-N 2.93Å |
| 61 | V | 72.1 | Confident | 73.7 | Confident | 74 Ų | 74 | 46.7 Ų | 46.7 | 45% | 0.448 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.3 | 172.3 | -172.4 | 0 | 0 | 0 | 0 | 109.8 | G48 L49 G50 V73 | G48-V61 PolarHBondContact O-N 2.67Å; G48-V61 VanDerWaalsContact O-N 3.09Å; L49-V61 VanDerWaalsContact CA-O 3.23Å; L49-V61 WeakPolarHBondContact CA-O 3.32Å; L49-V61 HydrophobicContact CD2-CB 3.48Å; L49-V61 VanDerWaalsContact CD2-CB 3.48Å; L49-V61 HydrophobicContact CD2-CG2 3.92Å; G50-V61 PolarHBondContact N-O 3.36Å; G50-V61 VanDerWaalsContact N-O 3.15Å; V61-V73 CarbonylContact C-O 3.54Å; V61-V73 WeakPolarHBondContact CA-O 3.25Å; V61-V73 HydrophobicContact CG1-CB 4.05Å; V61-V73 HydrophobicContact CG1-CG1 4.4Å; V61-V73 WeakPolarHBondContact CG1-O 3.29Å; V61-V73 HydrophobicContact CG2-CB 4.04Å |
| 62 | G | 71.3 | Confident | 73.7 | Confident | 7 Ų | 7 | 44.8 Ų | 44.8 | 7% | 0.072 | 33% | 0.325 | C | S | . | . | trans | -172.8 | 153.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | G50 K68 V73 G74 V75 | G50-G62 WeakPolarHBondContact O-CA 3.23Å; G62-K68 PolarHBondContact O-NZ 3.43Å; G62-K68 VanDerWaalsContact O-NZ 3.1Å; G62-V73 PolarHBondContact N-O 2.65Å; G62-G74 WeakPolarHBondContact O-CA 3.02Å; G62-V75 PolarHBondContact O-N 3.48Å | ||
| 63 | V | 73.2 | Confident | 73.8 | Confident | 70 Ų | 70 | 47.4 Ų | 47.4 | 42% | 0.424 | 34% | 0.338 | S | S | . | . | trans | -98.8 | 141.7 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 109.7 | G50 V51 G52 V75 | G50-V63 PolarHBondContact O-N 2.64Å; V51-V63 CarbonylContact C-O 3.51Å; V51-V63 WeakPolarHBondContact CA-O 2.99Å; V51-V63 HydrophobicContact CG1-CB 4.16Å; V51-V63 HydrophobicContact CG2-CB 4.15Å; G52-V63 PolarHBondContact N-O 2.68Å; V63-V75 CarbonylContact C-O 3.5Å; V63-V75 WeakPolarHBondContact CA-O 3.47Å; V63-V75 HydrophobicContact CG1-CB 4.31Å; V63-V75 HydrophobicContact CG2-CB 4.27Å | ||
| 64 | G | 76.5 | Confident | 73.8 | Confident | 20 Ų | 20 | 45.4 Ų | 45.4 | 21% | 0.206 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 135.6 | -175.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G52 V75 G76 | G52-G64 WeakPolarHBondContact O-CA 3.21Å; G64-V75 PolarHBondContact N-O 2.76Å; G64-G76 WeakPolarHBondContact O-CA 3.5Å |
| 65 | A | 75 | Confident | 73.7 | Confident | 48 Ų | 48 | 47.8 Ų | 47.8 | 40% | 0.397 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -104.4 | 136 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G52 A53 G54 A77 | G52-A65 PolarHBondContact O-N 3.35Å; A53-A65 CarbonylContact C-O 3.53Å; A53-A65 WeakPolarHBondContact CA-O 3.06Å; G54-A65 PolarHBondContact N-O 3.23Å; A65-A77 CarbonylContact C-O 3.45Å; A65-A77 WeakPolarHBondContact CA-O 3.18Å |
| 66 | G | 78 | Confident | 73.8 | Confident | 23 Ų | 23 | 45.2 Ų | 45.2 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 148.4 | -159.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | G54 A77 G78 V79 | G54-G66 CarbonylContact O-C 3.5Å; G54-G66 WeakPolarHBondContact O-CA 3.36Å; G66-A77 PolarHBondContact N-O 2.89Å; G66-G78 CarbonylContact O-C 3.58Å; G66-G78 WeakPolarHBondContact O-CA 3.31Å; G66-V79 PolarHBondContact O-N 3.19Å |
| 67 | V | 75.9 | Confident | 74 | Confident | 68 Ų | 68 | 45.5 Ų | 45.5 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 119.7 | -175.4 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | G54 V55 K56 V79 | G54-V67 PolarHBondContact O-N 3.29Å; V55-V67 CarbonylContact C-O 3.59Å; V55-V67 VanDerWaalsContact CA-O 3.25Å; V55-V67 WeakPolarHBondContact CA-O 3.27Å; V55-V67 HydrophobicContact CG1-CB 4.4Å; V55-V67 HydrophobicContact CG2-CB 4.3Å; K56-V67 PolarHBondContact N-O 3.4Å; V67-V79 CarbonylContact C-O 3.5Å; V67-V79 VanDerWaalsContact CA-O 3.25Å; V67-V79 WeakPolarHBondContact CA-O 3.07Å; V67-V79 HydrophobicContact CG1-CB 4.44Å; V67-V79 HydrophobicContact CG2-CB 4.34Å |
| 68 | K | 72.8 | Confident | 74.3 | Confident | 40 Ų | 40 | 45.2 Ų | 45.2 | 17% | 0.174 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 126.9 | 177.4 | -57.5 | -172.3 | -178.5 | 179.5 | 0 | 110.1 | K56 G62 V79 K80 A81 | K56-K68 HydrophobicContact CB-CG 4.31Å; K56-K68 CarbonylContact O-C 3.5Å; K56-K68 VanDerWaalsContact O-CA 3.29Å; K56-K68 WeakPolarHBondContact O-CA 3.41Å; G62-K68 PolarHBondContact O-NZ 3.43Å; G62-K68 VanDerWaalsContact O-NZ 3.1Å; K68-V79 PolarHBondContact N-O 3.42Å; K68-K80 HydrophobicContact CB-CG 4.31Å; K68-K80 CarbonylContact O-C 3.59Å; K68-K80 VanDerWaalsContact O-CA 3.31Å; K68-K80 WeakPolarHBondContact O-CA 3.03Å; K68-A81 PolarHBondContact O-N 3.28Å |
| 69 | A | 75.9 | Confident | 74.3 | Confident | 53 Ų | 53 | 46.5 Ų | 46.5 | 44% | 0.438 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 122.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | K56 G57 G58 A81 | K56-A69 PolarHBondContact O-N 3.4Å; G57-A69 CarbonylContact C-O 3.45Å; G57-A69 VanDerWaalsContact CA-O 3.3Å; G57-A69 WeakPolarHBondContact CA-O 3.11Å; G58-A69 PolarHBondContact N-O 3.1Å; A69-A81 CarbonylContact C-O 3.53Å; A69-A81 VanDerWaalsContact CA-O 3.31Å; A69-A81 WeakPolarHBondContact CA-O 3.19Å |
| 70 | G | 78.2 | Confident | 74.3 | Confident | 35 Ų | 35 | 44.1 Ų | 44.1 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 127.7 | -152.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | G58 A81 G82 L83 | G58-G70 WeakPolarHBondContact O-CA 3.38Å; G70-A81 PolarHBondContact N-O 3.17Å; G70-G82 WeakPolarHBondContact O-CA 3.08Å; G70-L83 PolarHBondContact O-N 3.28Å |
| 71 | L | 73.4 | Confident | 74.5 | Confident | 80 Ų | 80 | 45.1 Ų | 45.1 | 42% | 0.419 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 115.3 | -171.4 | -61.5 | 174.1 | 0 | 0 | 0 | 111.2 | G58 L59 G60 L83 | G58-L71 PolarHBondContact O-N 2.98Å; G58-L71 VanDerWaalsContact O-N 3.15Å; L59-L71 CarbonylContact C-O 3.51Å; L59-L71 WeakPolarHBondContact CA-O 3.1Å; L59-L71 HydrophobicContact CB-CB 4.48Å; L59-L71 WeakPolarHBondContact CB-O 3.31Å; L59-L71 HydrophobicContact CD2-CB 3.49Å; L59-L71 VanDerWaalsContact CD2-CB 3.49Å; L59-L71 HydrophobicContact CD2-CD1 3.7Å; L59-L71 HydrophobicContact CD2-CG 4.17Å; L59-L71 HydrophobicContact CG-CB 3.8Å; L59-L71 HydrophobicContact CG-CD1 4.31Å; L59-L71 HydrophobicContact CG-CG 4.49Å; G60-L71 PolarHBondContact N-O 3.46Å; G60-L71 VanDerWaalsContact N-O 3.1Å; L71-L83 CarbonylContact C-O 3.46Å; L71-L83 WeakPolarHBondContact CA-O 3.41Å; L71-L83 HydrophobicContact CD2-CB 3.29Å; L71-L83 HydrophobicContact CD2-CD1 3.52Å; L71-L83 HydrophobicContact CD2-CG 3.43Å; L71-L83 VanDerWaalsContact CD2-CG 3.43Å |
| 72 | G | 72.6 | Confident | 74.7 | Confident | 33 Ų | 33 | 43.2 Ų | 43.2 | 34% | 0.34 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.9 | 162.6 | -176 | 0 | 0 | 0 | 0 | 0 | 117.7 | G60 L83 G84 V85 | G60-G72 CarbonylContact O-C 3.23Å; G60-G72 WeakPolarHBondContact O-CA 3.14Å; G72-L83 PolarHBondContact N-O 3.01Å; G72-L83 VanDerWaalsContact N-O 3.07Å; G72-G84 CarbonylContact O-C 3.55Å; G72-G84 WeakPolarHBondContact O-CA 3.41Å; G72-V85 PolarHBondContact O-N 3.2Å |
| 73 | V | 72.6 | Confident | 74.7 | Confident | 72 Ų | 72 | 47 Ų | 47 | 44% | 0.436 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 135.3 | 173.3 | -175.4 | 0 | 0 | 0 | 0 | 109.2 | G60 V61 G62 V85 | G60-V73 PolarHBondContact O-N 2.93Å; V61-V73 CarbonylContact C-O 3.54Å; V61-V73 WeakPolarHBondContact CA-O 3.25Å; V61-V73 HydrophobicContact CG1-CB 4.05Å; V61-V73 HydrophobicContact CG1-CG1 4.4Å; V61-V73 WeakPolarHBondContact CG1-O 3.29Å; V61-V73 HydrophobicContact CG2-CB 4.04Å; G62-V73 PolarHBondContact N-O 2.65Å; V73-V85 CarbonylContact C-O 3.55Å; V73-V85 WeakPolarHBondContact CA-O 3.08Å; V73-V85 HydrophobicContact CG1-CB 4.28Å; V73-V85 WeakPolarHBondContact CG1-O 3.22Å; V73-V85 HydrophobicContact CG2-CB 4.18Å |
| 74 | G | 72.3 | Confident | 74.5 | Confident | 5 Ų | 5 | 45 Ų | 45 | 5% | 0.052 | 33% | 0.326 | C | S | . | . | trans | 176.3 | 152.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.3 | G62 K80 V85 G86 V87 | G62-G74 WeakPolarHBondContact O-CA 3.02Å; G74-K80 PolarHBondContact O-NZ 2.89Å; G74-K80 VanDerWaalsContact O-NZ 3.11Å; G74-V85 PolarHBondContact N-O 2.91Å; G74-G86 WeakPolarHBondContact O-CA 3.42Å; G74-V87 PolarHBondContact O-N 2.97Å | ||
| 75 | V | 72.9 | Confident | 74.1 | Confident | 74 Ų | 74 | 47.3 Ų | 47.3 | 45% | 0.448 | 34% | 0.336 | S | S | . | . | trans | -100.7 | 134.9 | 179.3 | -176 | 0 | 0 | 0 | 0 | 110.1 | G62 V63 G64 V87 | G62-V75 PolarHBondContact O-N 3.48Å; V63-V75 CarbonylContact C-O 3.5Å; V63-V75 WeakPolarHBondContact CA-O 3.47Å; V63-V75 HydrophobicContact CG1-CB 4.31Å; V63-V75 HydrophobicContact CG2-CB 4.27Å; G64-V75 PolarHBondContact N-O 2.76Å; V75-V87 CarbonylContact C-O 3.51Å; V75-V87 WeakPolarHBondContact CA-O 3.44Å; V75-V87 HydrophobicContact CG1-CB 4.38Å; V75-V87 HydrophobicContact CG2-CB 4.34Å | ||
| 76 | G | 76.7 | Confident | 73.9 | Confident | 20 Ų | 20 | 45.3 Ų | 45.3 | 21% | 0.206 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 142.5 | -178.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G64 V87 G88 | G64-G76 WeakPolarHBondContact O-CA 3.5Å; G76-V87 PolarHBondContact N-O 2.91Å; G76-G88 WeakPolarHBondContact O-CA 3.25Å |
| 77 | A | 74.9 | Confident | 73.5 | Confident | 48 Ų | 48 | 47.7 Ų | 47.7 | 40% | 0.397 | 33% | 0.33 | S | S | . | . | trans | -98.7 | 146.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A65 G66 A89 | A65-A77 CarbonylContact C-O 3.45Å; A65-A77 WeakPolarHBondContact CA-O 3.18Å; G66-A77 PolarHBondContact N-O 2.89Å; A77-A89 CarbonylContact C-O 3.57Å; A77-A89 WeakPolarHBondContact CA-O 3.44Å | ||
| 78 | G | 77.8 | Confident | 73.3 | Confident | 24 Ų | 24 | 45.3 Ų | 45.3 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 137.4 | -162.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G66 A89 G90 I91 | G66-G78 CarbonylContact O-C 3.58Å; G66-G78 WeakPolarHBondContact O-CA 3.31Å; G78-A89 PolarHBondContact N-O 2.93Å; G78-G90 WeakPolarHBondContact O-CA 3.38Å; G78-I91 PolarHBondContact O-N 3.34Å |
| 79 | V | 75 | Confident | 73.2 | Confident | 64 Ų | 64 | 45.8 Ų | 45.8 | 39% | 0.388 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 122.1 | -173.2 | -175.1 | 0 | 0 | 0 | 0 | 109.5 | G66 V67 K68 I91 | G66-V79 PolarHBondContact O-N 3.19Å; V67-V79 CarbonylContact C-O 3.5Å; V67-V79 VanDerWaalsContact CA-O 3.25Å; V67-V79 WeakPolarHBondContact CA-O 3.07Å; V67-V79 HydrophobicContact CG1-CB 4.44Å; V67-V79 HydrophobicContact CG2-CB 4.34Å; K68-V79 PolarHBondContact N-O 3.42Å; V79-I91 CarbonylContact C-O 3.45Å; V79-I91 VanDerWaalsContact CA-O 3.27Å; V79-I91 WeakPolarHBondContact CA-O 3.24Å; V79-I91 HydrophobicContact CG1-CB 4.46Å; V79-I91 HydrophobicContact CG2-CB 4.39Å |
| 80 | K | 72.5 | Confident | 73.1 | Confident | 38 Ų | 38 | 44.2 Ų | 44.2 | 17% | 0.165 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 128.6 | 177.6 | -57.3 | -173.5 | -177.1 | 179.2 | 0 | 110.3 | K68 G74 I91 K92 A93 | K68-K80 HydrophobicContact CB-CG 4.31Å; K68-K80 CarbonylContact O-C 3.59Å; K68-K80 VanDerWaalsContact O-CA 3.31Å; K68-K80 WeakPolarHBondContact O-CA 3.03Å; G74-K80 PolarHBondContact O-NZ 2.89Å; G74-K80 VanDerWaalsContact O-NZ 3.11Å; K80-I91 PolarHBondContact N-O 3.02Å; K80-K92 HydrophobicContact CB-CG 4.27Å; K80-K92 CarbonylContact O-C 3.56Å; K80-K92 VanDerWaalsContact O-CA 3.3Å; K80-K92 WeakPolarHBondContact O-CA 3.31Å; K80-A93 PolarHBondContact O-N 2.91Å |
| 81 | A | 74.3 | Confident | 72.8 | Confident | 51 Ų | 51 | 46.7 Ų | 46.7 | 42% | 0.421 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 123.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | K68 A69 G70 A93 | K68-A81 PolarHBondContact O-N 3.28Å; A69-A81 CarbonylContact C-O 3.53Å; A69-A81 VanDerWaalsContact CA-O 3.31Å; A69-A81 WeakPolarHBondContact CA-O 3.19Å; G70-A81 PolarHBondContact N-O 3.17Å; A81-A93 CarbonylContact C-O 3.51Å; A81-A93 WeakPolarHBondContact CA-O 3.3Å |
| 82 | G | 76.5 | Confident | 72.7 | Confident | 35 Ų | 35 | 44.5 Ų | 44.5 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | S | Bend | trans | 127.3 | -162.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | G70 A93 | G70-G82 WeakPolarHBondContact O-CA 3.08Å; G82-A93 PolarHBondContact N-O 3.43Å |
| 83 | L | 71.1 | Confident | 72.6 | Confident | 85 Ų | 85 | 45.2 Ų | 45.2 | 45% | 0.445 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -94.4 | 134.7 | 178.5 | -38 | 169.7 | 0 | 0 | 0 | 111.1 | G70 L71 G72 L95 | G70-L83 PolarHBondContact O-N 3.28Å; L71-L83 CarbonylContact C-O 3.46Å; L71-L83 WeakPolarHBondContact CA-O 3.41Å; L71-L83 HydrophobicContact CD2-CB 3.29Å; L71-L83 HydrophobicContact CD2-CD1 3.52Å; L71-L83 HydrophobicContact CD2-CG 3.43Å; L71-L83 VanDerWaalsContact CD2-CG 3.43Å; G72-L83 PolarHBondContact N-O 3.01Å; G72-L83 VanDerWaalsContact N-O 3.07Å; L83-L95 WeakPolarHBondContact CA-O 3.33Å; L83-L95 HydrophobicContact CD2-CB 3.45Å; L83-L95 VanDerWaalsContact CD2-CB 3.45Å; L83-L95 HydrophobicContact CD2-CD1 3.64Å; L83-L95 HydrophobicContact CD2-CG 3.49Å; L83-L95 VanDerWaalsContact CD2-CG 3.49Å |
| 84 | G | 69.5 | Low | 72.6 | Confident | 29 Ų | 29 | 43.5 Ų | 43.5 | 30% | 0.299 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -172 | 162.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | G72 L95 G96 L97 | G72-G84 CarbonylContact O-C 3.55Å; G72-G84 WeakPolarHBondContact O-CA 3.41Å; G84-L95 PolarHBondContact N-O 3.03Å; G84-G96 CarbonylContact O-C 3.53Å; G84-G96 WeakPolarHBondContact O-CA 3.03Å; G84-L97 PolarHBondContact O-N 2.97Å |
| 85 | V | 68.9 | Low | 72.2 | Confident | 68 Ų | 68 | 47.5 Ų | 47.5 | 41% | 0.412 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 127.8 | 174.8 | -174.7 | 0 | 0 | 0 | 0 | 108.8 | G72 V73 G74 L97 | G72-V85 PolarHBondContact O-N 3.2Å; V73-V85 CarbonylContact C-O 3.55Å; V73-V85 WeakPolarHBondContact CA-O 3.08Å; V73-V85 HydrophobicContact CG1-CB 4.28Å; V73-V85 WeakPolarHBondContact CG1-O 3.22Å; V73-V85 HydrophobicContact CG2-CB 4.18Å; G74-V85 PolarHBondContact N-O 2.91Å; V85-L97 CarbonylContact C-O 3.49Å; V85-L97 WeakPolarHBondContact CA-O 3.31Å; V85-L97 HydrophobicContact CB-CB 4.49Å; V85-L97 HydrophobicContact CG1-CB 4.11Å; V85-L97 HydrophobicContact CG2-CB 4.07Å; V85-L97 HydrophobicContact CG2-CD1 4.26Å; V85-L97 HydrophobicContact CG2-CG 4.45Å |
| 86 | G | 69.5 | Low | 71.9 | Confident | 7 Ų | 7 | 45 Ų | 45 | 7% | 0.072 | 32% | 0.32 | C | S | . | . | trans | 179.4 | 151.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | G74 K92 L97 | G74-G86 WeakPolarHBondContact O-CA 3.42Å; G86-K92 PolarHBondContact O-NZ 3.46Å; G86-L97 PolarHBondContact N-O 3.01Å | ||
| 87 | V | 69.5 | Low | 71.3 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 44% | 0.436 | 33% | 0.333 | S | S | . | . | trans | -99 | 133.1 | 179.3 | -176 | 0 | 0 | 0 | 0 | 110.3 | G74 V75 G76 D99 | G74-V87 PolarHBondContact O-N 2.97Å; V75-V87 CarbonylContact C-O 3.51Å; V75-V87 WeakPolarHBondContact CA-O 3.44Å; V75-V87 HydrophobicContact CG1-CB 4.38Å; V75-V87 HydrophobicContact CG2-CB 4.34Å; G76-V87 PolarHBondContact N-O 2.91Å; V87-D99 CarbonylContact C-O 3.46Å; V87-D99 WeakPolarHBondContact CA-O 3.27Å; V87-D99 HydrophobicContact CG1-CB 4.45Å; V87-D99 HydrophobicContact CG2-CB 4.41Å | ||
| 88 | G | 72.9 | Confident | 70.9 | Confident | 18 Ų | 18 | 46.8 Ų | 46.8 | 19% | 0.186 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 149 | -179.6 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | G76 D99 G100 | G76-G88 WeakPolarHBondContact O-CA 3.25Å; G88-D99 PolarHBondContact N-O 2.91Å; G88-G100 WeakPolarHBondContact O-CA 3.29Å |
| 89 | A | 70.5 | Confident | 70.4 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 41% | 0.413 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -98 | 134.6 | -173.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A77 G78 A101 | A77-A89 CarbonylContact C-O 3.57Å; A77-A89 WeakPolarHBondContact CA-O 3.44Å; G78-A89 PolarHBondContact N-O 2.93Å; A89-A101 CarbonylContact C-O 3.56Å; A89-A101 WeakPolarHBondContact CA-O 3.27Å |
| 90 | G | 74.3 | Confident | 70.1 | Confident | 21 Ų | 21 | 47.4 Ų | 47.4 | 22% | 0.216 | 32% | 0.321 | C | S | . | . | S | Bend | trans | 150.1 | -165.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | G78 A101 G102 I103 | G78-G90 WeakPolarHBondContact O-CA 3.38Å; G90-A101 PolarHBondContact N-O 2.9Å; G90-G102 WeakPolarHBondContact O-CA 3.18Å; G90-I103 PolarHBondContact O-N 3.2Å |
| 91 | I | 71.3 | Confident | 69.8 | Low | 86 Ų | 86 | 48 Ų | 48 | 44% | 0.441 | 33% | 0.333 | S | S | . | . | trans | -96.4 | 123 | -175.9 | -59.3 | 163.1 | 0 | 0 | 0 | 108.6 | G78 V79 K80 I103 | G78-I91 PolarHBondContact O-N 3.34Å; V79-I91 CarbonylContact C-O 3.45Å; V79-I91 VanDerWaalsContact CA-O 3.27Å; V79-I91 WeakPolarHBondContact CA-O 3.24Å; V79-I91 HydrophobicContact CG1-CB 4.46Å; V79-I91 HydrophobicContact CG2-CB 4.39Å; K80-I91 PolarHBondContact N-O 3.02Å; I91-I103 CarbonylContact C-O 3.49Å; I91-I103 VanDerWaalsContact CA-O 3.28Å; I91-I103 WeakPolarHBondContact CA-O 3.23Å; I91-I103 HydrophobicContact CG1-CB 4.31Å | ||
| 92 | K | 70.2 | Confident | 69.6 | Low | 35 Ų | 35 | 46.6 Ų | 46.6 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.4 | 176.4 | -54.7 | -173 | -174.9 | 175 | 0 | 110.3 | K80 G86 I103 K104 A105 | K80-K92 HydrophobicContact CB-CG 4.27Å; K80-K92 CarbonylContact O-C 3.56Å; K80-K92 VanDerWaalsContact O-CA 3.3Å; K80-K92 WeakPolarHBondContact O-CA 3.31Å; G86-K92 PolarHBondContact O-NZ 3.46Å; K92-I103 PolarHBondContact N-O 2.84Å; K92-K104 HydrophobicContact CB-CG 4.18Å; K92-K104 HydrophobicContact CD-CD 4.48Å; K92-K104 CarbonylContact O-C 3.53Å; K92-K104 VanDerWaalsContact O-CA 3.29Å; K92-K104 WeakPolarHBondContact O-CA 3.29Å; K92-A105 PolarHBondContact O-N 3.06Å |
| 93 | A | 70.9 | Confident | 69.1 | Low | 48 Ų | 48 | 48.9 Ų | 48.9 | 40% | 0.397 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | K80 A81 G82 A105 | K80-A93 PolarHBondContact O-N 2.91Å; A81-A93 CarbonylContact C-O 3.51Å; A81-A93 WeakPolarHBondContact CA-O 3.3Å; G82-A93 PolarHBondContact N-O 3.43Å; A93-A105 CarbonylContact C-O 3.44Å; A93-A105 WeakPolarHBondContact CA-O 3.18Å |
| 94 | G | 72.2 | Confident | 68.9 | Low | 36 Ų | 36 | 45.8 Ų | 45.8 | 37% | 0.371 | 31% | 0.31 | S | S | . | . | S | Bend | trans | 126.9 | -167.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114 | A105 | G94-A105 PolarHBondContact N-O 2.9Š|
| 95 | L | 65.9 | Low | 68.7 | Low | 88 Ų | 88 | 46.8 Ų | 46.8 | 46% | 0.461 | 32% | 0.316 | S | S | . | . | trans | -93.4 | 131.2 | 179.2 | -36.9 | 171.3 | 0 | 0 | 0 | 110.6 | L83 G84 L107 | L83-L95 WeakPolarHBondContact CA-O 3.33Å; L83-L95 HydrophobicContact CD2-CB 3.45Å; L83-L95 VanDerWaalsContact CD2-CB 3.45Å; L83-L95 HydrophobicContact CD2-CD1 3.64Å; L83-L95 HydrophobicContact CD2-CG 3.49Å; L83-L95 VanDerWaalsContact CD2-CG 3.49Å; G84-L95 PolarHBondContact N-O 3.03Å; L95-L107 WeakPolarHBondContact CA-O 3.24Å; L95-L107 HydrophobicContact CD2-CB 3.6Å; L95-L107 HydrophobicContact CD2-CD1 3.91Å; L95-L107 HydrophobicContact CD2-CG 3.95Å | ||
| 96 | G | 65.4 | Low | 68.6 | Low | 23 Ų | 23 | 44.9 Ų | 44.9 | 24% | 0.237 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.9 | 153.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | G84 L107 G108 V109 | G84-G96 CarbonylContact O-C 3.53Å; G84-G96 WeakPolarHBondContact O-CA 3.03Å; G96-L107 PolarHBondContact N-O 2.9Å; G96-L107 VanDerWaalsContact N-O 3.16Å; G96-G108 CarbonylContact O-C 3.51Å; G96-G108 WeakPolarHBondContact O-CA 3.2Å; G96-V109 PolarHBondContact O-N 2.94Å |
| 97 | L | 64.8 | Low | 68.2 | Low | 91 Ų | 91 | 49 Ų | 49 | 48% | 0.476 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 140.5 | 174.4 | -54.3 | 174.3 | 0 | 0 | 0 | 109.3 | G84 V85 G86 V109 | G84-L97 PolarHBondContact O-N 2.97Å; V85-L97 CarbonylContact C-O 3.49Å; V85-L97 WeakPolarHBondContact CA-O 3.31Å; V85-L97 HydrophobicContact CB-CB 4.49Å; V85-L97 HydrophobicContact CG1-CB 4.11Å; V85-L97 HydrophobicContact CG2-CB 4.07Å; V85-L97 HydrophobicContact CG2-CD1 4.26Å; V85-L97 HydrophobicContact CG2-CG 4.45Å; G86-L97 PolarHBondContact N-O 3.01Å; L97-V109 CarbonylContact C-O 3.51Å; L97-V109 VanDerWaalsContact CA-O 3.25Å; L97-V109 WeakPolarHBondContact CA-O 3.3Å; L97-V109 HydrophobicContact CD2-CB 3.57Å; L97-V109 HydrophobicContact CD2-CG2 3.99Å |
| 98 | G | 66.9 | Low | 67.8 | Low | 13 Ų | 13 | 46 Ų | 46 | 13% | 0.134 | 31% | 0.314 | C | S | . | . | trans | 134.9 | 172.3 | 162 | 0 | 0 | 0 | 0 | 0 | 116.1 | K104 V109 R114 | G98-K104 PolarHBondContact O-NZ 3.05Å; G98-V109 PolarHBondContact N-O 3.16Å; G98-R114 PolarHBondContact O-NH1 3.47Å | ||
| 99 | D | 67.1 | Low | 67.3 | Low | 79 Ų | 79 | 48.6 Ų | 48.6 | 42% | 0.422 | 33% | 0.326 | S | S | . | . | trans | -104.9 | 150.4 | -158.1 | -57.4 | -25.5 | 0 | 0 | 0 | 111.9 | V87 G88 G110 G111 | V87-D99 CarbonylContact C-O 3.46Å; V87-D99 WeakPolarHBondContact CA-O 3.27Å; V87-D99 HydrophobicContact CG1-CB 4.45Å; V87-D99 HydrophobicContact CG2-CB 4.41Å; G88-D99 PolarHBondContact N-O 2.91Å; D99-G110 WeakPolarHBondContact OD1-CA 3.45Å; D99-G111 CarbonylContact C-O 3.5Å; D99-G111 WeakPolarHBondContact CA-O 3.34Å; D99-G111 PolarHBondContact OD1-N 2.83Å | ||
| 100 | G | 68.5 | Low | 66.9 | Low | 22 Ų | 22 | 46.8 Ų | 46.8 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | trans | 135.6 | 177.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | G88 G111 | G88-G100 WeakPolarHBondContact O-CA 3.29Å; G100-G111 PolarHBondContact N-O 2.83Å | ||
| 101 | A | 65.9 | Low | 66.1 | Low | 51 Ų | 51 | 46.5 Ų | 46.5 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -94.3 | 144.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | A89 G90 A113 | A89-A101 CarbonylContact C-O 3.56Å; A89-A101 WeakPolarHBondContact CA-O 3.27Å; G90-A101 PolarHBondContact N-O 2.9Å; A101-A113 WeakPolarHBondContact CA-O 3.47Å |
| 102 | G | 69.7 | Low | 65.6 | Low | 22 Ų | 22 | 43.7 Ų | 43.7 | 23% | 0.227 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 138.6 | -168.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G90 A113 R114 I115 | G90-G102 WeakPolarHBondContact O-CA 3.18Å; G102-A113 PolarHBondContact N-O 3.09Å; G102-A113 VanDerWaalsContact N-O 3.1Å; G102-R114 VanDerWaalsContact O-CA 3.24Å; G102-R114 WeakPolarHBondContact O-CA 3.2Å; G102-R114 WeakPolarHBondContact O-CB 3.1Å; G102-I115 PolarHBondContact O-N 3.01Å; G102-I115 VanDerWaalsContact O-N 3.17Å |
| 103 | I | 65.8 | Low | 65.3 | Low | 83 Ų | 83 | 45.2 Ų | 45.2 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 124 | -172.1 | -51.3 | 178.5 | 0 | 0 | 0 | 108.6 | G90 I91 K92 I115 | G90-I103 PolarHBondContact O-N 3.2Å; I91-I103 CarbonylContact C-O 3.49Å; I91-I103 VanDerWaalsContact CA-O 3.28Å; I91-I103 WeakPolarHBondContact CA-O 3.23Å; I91-I103 HydrophobicContact CG1-CB 4.31Å; K92-I103 PolarHBondContact N-O 2.84Å; I103-I115 CarbonylContact C-O 3.51Å; I103-I115 VanDerWaalsContact CA-O 3.28Å; I103-I115 WeakPolarHBondContact CA-O 3.34Å; I103-I115 HydrophobicContact CG1-CB 4.27Å; I103-I115 HydrophobicContact CG1-CD1 4.44Å |
| 104 | K | 66.4 | Low | 64.8 | Low | 19 Ų | 19 | 43.6 Ų | 43.6 | 8% | 0.083 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.3 | 174 | -56.1 | -168.8 | -177.1 | 179.4 | 0 | 110.6 | K92 G98 I115 K116 A117 | K92-K104 HydrophobicContact CB-CG 4.18Å; K92-K104 HydrophobicContact CD-CD 4.48Å; K92-K104 CarbonylContact O-C 3.53Å; K92-K104 VanDerWaalsContact O-CA 3.29Å; K92-K104 WeakPolarHBondContact O-CA 3.29Å; G98-K104 PolarHBondContact O-NZ 3.05Å; K104-I115 PolarHBondContact N-O 3.17Å; K104-K116 HydrophobicContact CB-CG 4.28Å; K104-K116 WeakPolarHBondContact O-CA 3.16Å; K104-A117 PolarHBondContact O-N 3.37Å |
| 105 | A | 66.7 | Low | 64.3 | Low | 51 Ų | 51 | 47.1 Ų | 47.1 | 42% | 0.421 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 113.5 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | K92 A93 G94 | K92-A105 PolarHBondContact O-N 3.06Å; A93-A105 CarbonylContact C-O 3.44Å; A93-A105 WeakPolarHBondContact CA-O 3.18Å; G94-A105 PolarHBondContact N-O 2.9Å |
| 106 | G | 66.6 | Low | 63.9 | Low | 28 Ų | 28 | 44.1 Ų | 44.1 | 29% | 0.289 | 30% | 0.296 | S | S | . | . | S | Bend | trans | 129.7 | -177 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | A117 | G106-A117 PolarHBondContact N-O 2.94Š|
| 107 | L | 60.7 | Low | 63.7 | Low | 92 Ų | 92 | 46.5 Ų | 46.5 | 48% | 0.482 | 31% | 0.314 | S | S | . | . | trans | -87.4 | 128.9 | -178.8 | -54.6 | 166.5 | 0 | 0 | 0 | 110.5 | L95 G96 L119 | L95-L107 WeakPolarHBondContact CA-O 3.24Å; L95-L107 HydrophobicContact CD2-CB 3.6Å; L95-L107 HydrophobicContact CD2-CD1 3.91Å; L95-L107 HydrophobicContact CD2-CG 3.95Å; G96-L107 PolarHBondContact N-O 2.9Å; G96-L107 VanDerWaalsContact N-O 3.16Å; L107-L119 WeakPolarHBondContact CA-O 3.27Å; L107-L119 HydrophobicContact CD2-CB 3.54Å; L107-L119 VanDerWaalsContact CD2-O 3.28Å; L107-L119 WeakPolarHBondContact CD2-O 3.37Å | ||
| 108 | G | 61.9 | Low | 63.2 | Low | 10 Ų | 10 | 44 Ų | 44 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -167 | 143.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | G96 K116 G120 | G96-G108 CarbonylContact O-C 3.51Å; G96-G108 WeakPolarHBondContact O-CA 3.2Å; G108-K116 PolarHBondContact O-NZ 3.07Å; G108-G120 VanDerWaalsContact O-CA 3.24Å; G108-G120 WeakPolarHBondContact O-CA 3.21Å |
| 109 | V | 60.4 | Low | 62.5 | Low | 73 Ų | 73 | 48.6 Ų | 48.6 | 44% | 0.442 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 136.7 | 177.5 | -174.4 | 0 | 0 | 0 | 0 | 109.7 | G96 L97 G98 V121 | G96-V109 PolarHBondContact O-N 2.94Å; L97-V109 CarbonylContact C-O 3.51Å; L97-V109 VanDerWaalsContact CA-O 3.25Å; L97-V109 WeakPolarHBondContact CA-O 3.3Å; L97-V109 HydrophobicContact CD2-CB 3.57Å; L97-V109 HydrophobicContact CD2-CG2 3.99Å; G98-V109 PolarHBondContact N-O 3.16Å; V109-V121 WeakPolarHBondContact CA-O 3.37Å; V109-V121 HydrophobicContact CG1-CB 4.44Å; V109-V121 VanDerWaalsContact CG1-O 3.3Å; V109-V121 WeakPolarHBondContact CG1-O 3.31Å; V109-V121 HydrophobicContact CG2-CB 4.29Å |
| 110 | G | 62.1 | Low | 61.7 | Low | 12 Ų | 12 | 45 Ų | 45 | 12% | 0.124 | 31% | 0.313 | C | S | . | . | trans | 166.1 | -178.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D99 R114 V121 G122 | D99-G110 WeakPolarHBondContact OD1-CA 3.45Å; G110-R114 PolarHBondContact O-NH1 3.11Å; G110-R114 PolarHBondContact O-NH2 2.8Å; G110-V121 PolarHBondContact N-O 3.03Å; G110-G122 WeakPolarHBondContact O-CA 3.49Å | ||
| 111 | G | 57.6 | Low | 61 | Low | 15 Ų | 15 | 48 Ų | 48 | 16% | 0.155 | 33% | 0.327 | C | S | . | . | trans | -115 | 153.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D99 G100 R114 R123 | D99-G111 CarbonylContact C-O 3.5Å; D99-G111 WeakPolarHBondContact CA-O 3.34Å; D99-G111 PolarHBondContact OD1-N 2.83Å; G100-G111 PolarHBondContact N-O 2.83Å; G111-R114 VanDerWaalsContact N-NH1 3.13Å; G111-R114 VanDerWaalsContact O-CZ 3.25Å; G111-R114 PolarHBondContact O-NH1 2.92Å; G111-R114 PolarHBondContact O-NH2 3.37Å; G111-R123 WeakPolarHBondContact CA-O 3.46Å | ||
| 112 | G | 61.7 | Low | 60.2 | Low | 27 Ų | 27 | 46.5 Ų | 46.5 | 28% | 0.278 | 32% | 0.316 | S | S | . | . | S | Bend | trans | 119.6 | 163.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | R114 R123 | G112-R114 PolarHBondContact O-N 3.1Å; G112-R114 PolarHBondContact O-NE 3Å; G112-R114 VanDerWaalsContact O-NE 3.09Å; G112-R114 PolarHBondContact O-NH2 2.89Å; G112-R123 PolarHBondContact N-O 3.03Å |
| 113 | A | 62.8 | Low | 59.3 | Low | 66 Ų | 66 | 54.6 Ų | 54.6 | 55% | 0.545 | 34% | 0.34 | S | S | . | . | trans | -72.9 | 112.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A101 G102 | A101-A113 WeakPolarHBondContact CA-O 3.47Å; G102-A113 PolarHBondContact N-O 3.09Å; G102-A113 VanDerWaalsContact N-O 3.1Å | ||
| 114 | R | 61.2 | Low | 58.4 | Low | 15 Ų | 15 | 52.6 Ų | 52.6 | 6% | 0.057 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 141.3 | -169.3 | -68.5 | 172.3 | -75.8 | -134.9 | -2.6 | 113 | G98 G102 G110 G111 G112 K116 | G98-R114 PolarHBondContact O-NH1 3.47Å; G102-R114 VanDerWaalsContact O-CA 3.24Å; G102-R114 WeakPolarHBondContact O-CA 3.2Å; G102-R114 WeakPolarHBondContact O-CB 3.1Å; G110-R114 PolarHBondContact O-NH1 3.11Å; G110-R114 PolarHBondContact O-NH2 2.8Å; G111-R114 VanDerWaalsContact N-NH1 3.13Å; G111-R114 VanDerWaalsContact O-CZ 3.25Å; G111-R114 PolarHBondContact O-NH1 2.92Å; G111-R114 PolarHBondContact O-NH2 3.37Å; G112-R114 PolarHBondContact O-N 3.1Å; G112-R114 PolarHBondContact O-NE 3Å; G112-R114 VanDerWaalsContact O-NE 3.09Å; G112-R114 PolarHBondContact O-NH2 2.89Å; R114-K116 HydrophobicContact CB-CG 3.91Å |
| 115 | I | 61 | Low | 57.2 | Low | 110 Ų | 110 | 55.8 Ų | 55.8 | 56% | 0.564 | 37% | 0.369 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 110.2 | 162.2 | -55.9 | 173.6 | 0 | 0 | 0 | 105.4 | G102 I103 K104 | G102-I115 PolarHBondContact O-N 3.01Å; G102-I115 VanDerWaalsContact O-N 3.17Å; I103-I115 CarbonylContact C-O 3.51Å; I103-I115 VanDerWaalsContact CA-O 3.28Å; I103-I115 WeakPolarHBondContact CA-O 3.34Å; I103-I115 HydrophobicContact CG1-CB 4.27Å; I103-I115 HydrophobicContact CG1-CD1 4.44Å; K104-I115 PolarHBondContact N-O 3.17Å |
| 116 | K | 59.3 | Low | 56.1 | Low | 24 Ų | 24 | 57.4 Ų | 57.4 | 10% | 0.104 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 129 | -177.6 | -65.6 | -166.4 | -178.5 | -179.9 | 0 | 110.9 | K104 G108 R114 | K104-K116 HydrophobicContact CB-CG 4.28Å; K104-K116 WeakPolarHBondContact O-CA 3.16Å; G108-K116 PolarHBondContact O-NZ 3.07Å; R114-K116 HydrophobicContact CB-CG 3.91Å |
| 117 | A | 59.4 | Low | 54.7 | Low | 74 Ų | 74 | 63.4 Ų | 63.4 | 61% | 0.612 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 93.3 | 158 | 0 | 0 | 0 | 0 | 0 | 107.6 | K104 G106 | K104-A117 PolarHBondContact O-N 3.37Å; G106-A117 PolarHBondContact N-O 2.94Å |
| 118 | G | 55.6 | Low | 53.7 | Low | 38 Ų | 38 | 61 Ų | 61 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | S | Bend | trans | 151.2 | 163.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | G120 | G118-G120 PolarHBondContact O-N 3.06Š|
| 119 | L | 52 | Low | 52.5 | Low | 109 Ų | 109 | 69.5 Ų | 69.5 | 57% | 0.571 | 43% | 0.429 | S | S | * | . | trans | -73 | 120.6 | 174.6 | -78.2 | 69.9 | 0 | 0 | 0 | 109.6 | L107 I132 | L107-L119 WeakPolarHBondContact CA-O 3.27Å; L107-L119 HydrophobicContact CD2-CB 3.54Å; L107-L119 VanDerWaalsContact CD2-O 3.28Å; L107-L119 WeakPolarHBondContact CD2-O 3.37Å; L119-I132 HydrophobicContact CB-CD1 3.96Å; L119-I132 HydrophobicContact CD2-CD1 3.56Å; L119-I132 HydrophobicContact CG-CD1 3.59Å | ||
| 120 | G | 49.4 | Very low | 51.3 | Low | 4 Ų | 4 | 68.8 Ų | 68.8 | 4% | 0.041 | 44% | 0.437 | C | S | . | . | trans | -140 | 146.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G108 G118 R126 | G108-G120 VanDerWaalsContact O-CA 3.24Å; G108-G120 WeakPolarHBondContact O-CA 3.21Å; G118-G120 PolarHBondContact O-N 3.06Å; G120-R126 PolarHBondContact O-NH1 2.8Å | ||
| 121 | V | 54.6 | Low | 49.9 | Very low | 86 Ų | 86 | 73.2 Ų | 73.2 | 52% | 0.521 | 47% | 0.465 | S | S | . | . | trans | -102.1 | 123.7 | 171.8 | -172.7 | 0 | 0 | 0 | 0 | 107.2 | V109 G110 | V109-V121 WeakPolarHBondContact CA-O 3.37Å; V109-V121 HydrophobicContact CG1-CB 4.44Å; V109-V121 VanDerWaalsContact CG1-O 3.3Å; V109-V121 WeakPolarHBondContact CG1-O 3.31Å; V109-V121 HydrophobicContact CG2-CB 4.29Å; G110-V121 PolarHBondContact N-O 3.03Å | ||
| 122 | G | 49.8 | Very low | 48.9 | Very low | 19 Ų | 19 | 75.4 Ų | 75.4 | 20% | 0.196 | 47% | 0.473 | C | S | . | . | trans | -164.6 | 149.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115 | G110 | G110-G122 WeakPolarHBondContact O-CA 3.49Š| ||
| 123 | R | 50.9 | Low | 47.9 | Very low | 192 Ų | 192 | 78.7 Ų | 78.7 | 73% | 0.725 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -92.4 | 108.1 | 171.2 | -117.3 | 174.6 | -179.2 | 172 | -3.8 | 108.5 | G111 G112 | G111-R123 WeakPolarHBondContact CA-O 3.46Å; G112-R123 PolarHBondContact N-O 3.03Å |
| 124 | G | 47.1 | Very low | 46.6 | Very low | 41 Ų | 41 | 78 Ų | 78 | 42% | 0.423 | 48% | 0.482 | S | S | . | . | S | Bend | trans | 154.6 | 155.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | R126 | G124-R126 PolarHBondContact O-N 2.82Š|
| 125 | A | 39.9 | Very low | 46 | Very low | 85 Ų | 85 | 85.9 Ų | 85.9 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | trans | -55.9 | 124.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 126 | R | 43.4 | Very low | 45 | Very low | 85 Ų | 85 | 82.6 Ų | 82.6 | 32% | 0.321 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 128.1 | -177.3 | -85.5 | -162.6 | -81.4 | -150.5 | -9.5 | 109.7 | G120 G124 I132 | G120-R126 PolarHBondContact O-NH1 2.8Å; G124-R126 PolarHBondContact O-N 2.82Å; R126-I132 VanDerWaalsContact CZ-O 3.25Å; R126-I132 PolarHBondContact NH1-O 2.75Å; R126-I132 PolarHBondContact NH2-O 2.82Å |
| 127 | I | 38.3 | Very low | 44.1 | Very low | 154 Ų | 154 | 81.9 Ų | 81.9 | 79% | 0.79 | 50% | 0.504 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 105.6 | 159.3 | -53.5 | 175.9 | 0 | 0 | 0 | 104.8 | ||
| 128 | G | 38.3 | Very low | 43.2 | Very low | 43 Ų | 43 | 87.6 Ų | 87.6 | 44% | 0.443 | 51% | 0.512 | S | S | . | . | trans | -167.5 | 120.3 | 179 | 0 | 0 | 0 | 0 | 0 | 109.6 | G130 | G128-G130 PolarHBondContact O-N 3.23Š| ||
| 129 | N | 36.7 | Very low | 42.8 | Very low | 187 Ų | 187 | 95.4 Ų | 95.4 | 100% | 1 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -67.7 | 94.5 | 174.8 | -78.1 | -19.1 | 0 | 0 | 0 | 108.8 | ||
| 130 | G | 36.1 | Very low | 42.5 | Very low | 59 Ų | 59 | 95.5 Ų | 95.5 | 61% | 0.608 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 155.4 | 98.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | G128 | G128-G130 PolarHBondContact O-N 3.23Š|
| 131 | S | 33.1 | Very low | 42.4 | Very low | 104 Ų | 104 | 100.8 Ų | 100.8 | 73% | 0.727 | 56% | 0.557 | S | S | * | * | trans | -31.6 | 138.7 | 178.8 | -65.4 | 0 | 0 | 0 | 0 | 117 | ||||
| 132 | I | 37.3 | Very low | 41.8 | Very low | 62 Ų | 62 | 104 Ų | 104 | 32% | 0.318 | 56% | 0.56 | S | S | . | * | 177.8 | 102.1 | 119.3 | -80.4 | 151.5 | 0 | 0 | 0 | 108.5 | L119 R126 G134 | L119-I132 HydrophobicContact CB-CD1 3.96Å; L119-I132 HydrophobicContact CD2-CD1 3.56Å; L119-I132 HydrophobicContact CG-CD1 3.59Å; R126-I132 VanDerWaalsContact CZ-O 3.25Å; R126-I132 PolarHBondContact NH1-O 2.75Å; R126-I132 PolarHBondContact NH2-O 2.82Å; I132-G134 PolarHBondContact O-N 3.15Å | |||
| 133 | I | 39.3 | Very low | 41.7 | Very low | 95 Ų | 95 | 108 Ų | 108 | 49% | 0.487 | 58% | 0.576 | S | S | . | * | trans | 36.3 | 78.7 | 132.4 | -49.8 | -175 | 0 | 0 | 0 | 115.9 | G137 | I133-G137 VanDerWaalsContact CG1-CA 3.5Š| ||
| 134 | G | 35.8 | Very low | 41.8 | Very low | 51 Ų | 51 | 103.4 Ų | 103.4 | 53% | 0.526 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -90.5 | 108 | 155.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | I132 G136 | I132-G134 PolarHBondContact O-N 3.15Å; G134-G136 PolarHBondContact O-N 2.85Å |
| 135 | R | 47.9 | Very low | 42 | Very low | 182 Ų | 182 | 105.1 Ų | 105.1 | 69% | 0.687 | 57% | 0.565 | S | S | * | * | S | Bend | trans | 46.5 | -9.5 | 177.3 | -152.7 | 170.8 | -68.5 | -114.2 | -7.2 | 119 | ||
| 136 | G | 41 | Very low | 42.4 | Very low | 40 Ų | 40 | 106.6 Ų | 106.6 | 41% | 0.412 | 56% | 0.56 | S | S | . | * | trans | -108.6 | -3.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | G134 Y138 R139 | G134-G136 PolarHBondContact O-N 2.85Å; G136-Y138 VanDerWaalsContact C-N 3.25Å; G136-Y138 PolarHBondContact O-N 2.82Å; G136-R139 PolarHBondContact O-N 2.98Å | ||
| 137 | G | 39.6 | Very low | 42.6 | Very low | 9 Ų | 9 | 106.5 Ų | 106.5 | 9% | 0.093 | 58% | 0.577 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -78 | -5.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | I133 R139 N140 L141 | I133-G137 VanDerWaalsContact CG1-CA 3.5Å; G137-R139 PolarHBondContact O-N 3.12Å; G137-N140 PolarHBondContact O-N 3.15Å; G137-L141 PolarHBondContact O-N 3.08Å |
| 138 | Y | 40.5 | Very low | 43.2 | Very low | 194 Ų | 194 | 106.9 Ų | 106.9 | 76% | 0.761 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.6 | -21.2 | 165.7 | -78.1 | -78.7 | 0 | 0 | 0 | 112.5 | G136 N140 | G136-Y138 VanDerWaalsContact C-N 3.25Å; G136-Y138 PolarHBondContact O-N 2.82Å; Y138-N140 VanDerWaalsContact C-N 3.32Å |
| 139 | R | 47.3 | Very low | 43.4 | Very low | 202 Ų | 202 | 107.8 Ų | 107.8 | 76% | 0.762 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -69.8 | -28.8 | 170 | -89.4 | -170.2 | -75.9 | 153.2 | -5.9 | 113.1 | G136 G137 N143 | G136-R139 PolarHBondContact O-N 2.98Å; G137-R139 PolarHBondContact O-N 3.12Å; R139-N143 PolarHBondContact O-N 3.1Å |
| 140 | N | 47.1 | Very low | 43.7 | Very low | 111 Ų | 111 | 104.7 Ų | 104.7 | 59% | 0.594 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -81.3 | -27.5 | -179.8 | -127.4 | -59 | 0 | 0 | 0 | 112.5 | G137 Y138 R142 N143 L144 | G137-N140 PolarHBondContact O-N 3.15Å; Y138-N140 VanDerWaalsContact C-N 3.32Å; N140-R142 VanDerWaalsContact C-N 3.32Å; N140-R142 PolarHBondContact O-N 3.04Å; N140-N143 PolarHBondContact O-N 2.94Å; N140-L144 WeakPolarHBondContact O-CB 3.25Å; N140-L144 PolarHBondContact O-N 3.45Å |
| 141 | L | 45.7 | Very low | 43.8 | Very low | 115 Ų | 115 | 104.7 Ų | 104.7 | 60% | 0.602 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.5 | -36.9 | 170.8 | -124.8 | 82.5 | 0 | 0 | 0 | 111.6 | G137 L144 L145 | G137-L141 PolarHBondContact O-N 3.08Å; L141-L144 PolarHBondContact O-N 2.82Å; L141-L145 VanDerWaalsContact O-CB 3.24Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 PolarHBondContact O-N 3.43Å |
| 142 | R | 43.9 | Very low | 44.1 | Very low | 155 Ų | 155 | 112 Ų | 112 | 59% | 0.585 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.7 | -44.7 | 174.7 | -156.5 | -174.8 | -152.8 | -175.7 | 7.9 | 111.3 | N140 L145 I146 | N140-R142 VanDerWaalsContact C-N 3.32Å; N140-R142 PolarHBondContact O-N 3.04Å; R142-L145 PolarHBondContact O-N 3.11Å; R142-I146 HydrophobicContact CG-CD1 4.13Å; R142-I146 WeakPolarHBondContact O-CB 3.35Å; R142-I146 WeakPolarHBondContact O-CD1 3.33Å; R142-I146 WeakPolarHBondContact O-CG1 3.41Å; R142-I146 PolarHBondContact O-N 2.84Å |
| 143 | N | 47.4 | Very low | 44.1 | Very low | 101 Ų | 101 | 116 Ų | 116 | 54% | 0.54 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -72.4 | -28.8 | 177.8 | -76.7 | 3.7 | 0 | 0 | 0 | 113 | R139 N140 A147 | R139-N143 PolarHBondContact O-N 3.1Å; N140-N143 PolarHBondContact O-N 2.94Å; N143-A147 WeakPolarHBondContact O-CB 3.35Å; N143-A147 PolarHBondContact O-N 3.23Å |
| 144 | L | 52 | Low | 44.1 | Very low | 97 Ų | 97 | 116 Ų | 116 | 51% | 0.508 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -73.8 | -33.4 | 173.4 | -170.9 | 62 | 0 | 0 | 0 | 111.6 | N140 L141 A147 K148 | N140-L144 WeakPolarHBondContact O-CB 3.25Å; N140-L144 PolarHBondContact O-N 3.45Å; L141-L144 PolarHBondContact O-N 2.82Å; L144-A147 PolarHBondContact O-N 2.86Å; L144-K148 WeakPolarHBondContact O-CB 3.2Å; L144-K148 PolarHBondContact O-N 2.89Å |
| 145 | L | 51.9 | Low | 44.2 | Very low | 77 Ų | 77 | 125 Ų | 125 | 40% | 0.403 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74.3 | -35.7 | 174.2 | -158 | 71 | 0 | 0 | 0 | 111.7 | L141 R142 K148 G149 L150 | L141-L145 VanDerWaalsContact O-CB 3.24Å; L141-L145 WeakPolarHBondContact O-CB 3.36Å; L141-L145 PolarHBondContact O-N 3.43Å; R142-L145 PolarHBondContact O-N 3.11Å; L145-K148 CarbonylContact O-C 3.56Å; L145-K148 PolarHBondContact O-N 3.41Å; L145-G149 PolarHBondContact O-N 3.26Å; L145-G149 VanDerWaalsContact O-N 3.15Å; L145-L150 HydrophobicContact CD1-CB 4.01Å; L145-L150 HydrophobicContact CD1-CD1 4.4Å; L145-L150 HydrophobicContact CG-CB 4.23Å; L145-L150 PolarHBondContact O-N 3.11Å |
| 146 | I | 47.3 | Very low | 43.5 | Very low | 116 Ų | 116 | 119.1 Ų | 119.1 | 60% | 0.595 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -67.1 | -41.5 | 169.6 | -67.3 | 165.7 | 0 | 0 | 0 | 110.4 | R142 K148 G149 | R142-I146 HydrophobicContact CG-CD1 4.13Å; R142-I146 WeakPolarHBondContact O-CB 3.35Å; R142-I146 WeakPolarHBondContact O-CD1 3.33Å; R142-I146 WeakPolarHBondContact O-CG1 3.41Å; R142-I146 PolarHBondContact O-N 2.84Å; I146-K148 VanDerWaalsContact C-N 3.29Å; I146-K148 PolarHBondContact O-N 3.23Å; I146-G149 PolarHBondContact O-N 3.27Å; I146-G149 VanDerWaalsContact O-N 3.07Å |
| 147 | A | 49.1 | Very low | 43 | Very low | 83 Ų | 83 | 124 Ų | 124 | 69% | 0.686 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -67.2 | -29.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | N143 L144 G149 | N143-A147 WeakPolarHBondContact O-CB 3.35Å; N143-A147 PolarHBondContact O-N 3.23Å; L144-A147 PolarHBondContact O-N 2.86Å; A147-G149 VanDerWaalsContact C-N 3.33Å |
| 148 | K | 49 | Very low | 42.8 | Very low | 162 Ų | 162 | 130.2 Ų | 130.2 | 70% | 0.704 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | 8.1 | 171.7 | -72.5 | -155.9 | 170.7 | -169 | 0 | 114.1 | L144 L145 I146 L150 | L144-K148 WeakPolarHBondContact O-CB 3.2Å; L144-K148 PolarHBondContact O-N 2.89Å; L145-K148 CarbonylContact O-C 3.56Å; L145-K148 PolarHBondContact O-N 3.41Å; I146-K148 VanDerWaalsContact C-N 3.29Å; I146-K148 PolarHBondContact O-N 3.23Å; K148-L150 PolarHBondContact O-N 2.64Å; K148-L150 VanDerWaalsContact O-N 3.14Å |
| 149 | G | 43.2 | Very low | 42.3 | Very low | 62 Ų | 62 | 126.5 Ų | 126.5 | 64% | 0.639 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 67.2 | 12.7 | 170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L145 I146 A147 G151 | L145-G149 PolarHBondContact O-N 3.26Å; L145-G149 VanDerWaalsContact O-N 3.15Å; I146-G149 PolarHBondContact O-N 3.27Å; I146-G149 VanDerWaalsContact O-N 3.07Å; A147-G149 VanDerWaalsContact C-N 3.33Å; G149-G151 PolarHBondContact O-N 3.03Å; G149-G151 VanDerWaalsContact O-N 3.17Å |
| 150 | L | 42.9 | Very low | 41.5 | Very low | 121 Ų | 121 | 120.7 Ų | 120.7 | 63% | 0.634 | 68% | 0.683 | S | S | * | * | trans | -90.3 | 84.7 | -179.4 | -68 | 174.8 | 0 | 0 | 0 | 110.5 | L145 K148 | L145-L150 HydrophobicContact CD1-CB 4.01Å; L145-L150 HydrophobicContact CD1-CD1 4.4Å; L145-L150 HydrophobicContact CG-CB 4.23Å; L145-L150 PolarHBondContact O-N 3.11Å; K148-L150 PolarHBondContact O-N 2.64Å; K148-L150 VanDerWaalsContact O-N 3.14Å | ||
| 151 | G | 38.7 | Very low | 40.6 | Very low | 59 Ų | 59 | 125.4 Ų | 125.4 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | trans | 48.4 | 109.1 | 138.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | G149 L153 | G149-G151 PolarHBondContact O-N 3.03Å; G149-G151 VanDerWaalsContact O-N 3.17Å; G151-L153 PolarHBondContact O-N 2.93Å | ||
| 152 | R | 38.3 | Very low | 40.1 | Very low | 259 Ų | 259 | 126 Ų | 126 | 98% | 0.977 | 70% | 0.701 | S | S | * | * | trans | 7.5 | 94 | 149.4 | -72.9 | 176 | 170.6 | 177.6 | -2.9 | 116.7 | ||||
| 153 | L | 38.2 | Very low | 39.3 | Very low | 144 Ų | 144 | 122.4 Ų | 122.4 | 75% | 0.754 | 71% | 0.712 | S | S | * | * | trans | -98.1 | 119.2 | 157.4 | -95.6 | 155.1 | 0 | 0 | 0 | 110.1 | G151 | G151-L153 PolarHBondContact O-N 2.93Š| ||
| 154 | A | 39.7 | Very low | 38.4 | Very low | 95 Ų | 95 | 121.5 Ų | 121.5 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | -53.9 | 144.3 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G156 | A154-G156 PolarHBondContact O-N 2.89Š| ||
| 155 | R | 37.3 | Very low | 37.3 | Very low | 240 Ų | 240 | 120.1 Ų | 120.1 | 91% | 0.906 | 74% | 0.735 | S | S | * | * | trans | -65.1 | 92.7 | 178.1 | -76.5 | 175.1 | -85.4 | -168.2 | -4.9 | 110 | ||||
| 156 | G | 32.5 | Very low | 36.2 | Very low | 60 Ų | 60 | 123.5 Ų | 123.5 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | trans | -102 | 117.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | A154 T158 | A154-G156 PolarHBondContact O-N 2.89Å; G156-T158 PolarHBondContact O-N 3.11Å; G156-T158 VanDerWaalsContact O-N 3.14Å | ||
| 157 | T | 31.3 | Very low | 35.5 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 87% | 0.871 | 77% | 0.773 | S | S | * | * | trans | -67.1 | 100.5 | 178.6 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | S159 | T157-S159 PolarHBondContact O-N 3.13Š| ||
| 158 | T | 34.6 | Very low | 34.5 | Very low | 139 Ų | 139 | 126 Ų | 126 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -90.7 | 89.3 | 169.1 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | G156 A160 | G156-T158 PolarHBondContact O-N 3.11Å; G156-T158 VanDerWaalsContact O-N 3.14Å; T158-A160 PolarHBondContact O-N 3.18Å | ||
| 159 | S | 29.8 | Very low | 33.5 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -68.4 | 108.7 | 173 | -169.7 | 0 | 0 | 0 | 0 | 109.2 | T157 | T157-S159 PolarHBondContact O-N 3.13Š| ||
| 160 | A | 32.1 | Very low | 32.8 | Very low | 81 Ų | 81 | 127.6 Ų | 127.6 | 67% | 0.669 | 79% | 0.789 | S | S | * | * | trans | -106 | 104 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | T158 I162 | T158-A160 PolarHBondContact O-N 3.18Å; A160-I162 PolarHBondContact O-N 3.26Å | ||
| 161 | K | 27.1 | Very low | 32.5 | Very low | 210 Ų | 210 | 130 Ų | 130 | 91% | 0.913 | 80% | 0.802 | S | S | * | * | trans | -56 | 107.4 | 169.4 | -84.5 | 179 | 176.8 | 177.1 | 0 | 109 | ||||
| 162 | I | 34.9 | Very low | 32.4 | Very low | 128 Ų | 128 | 132.4 Ų | 132.4 | 66% | 0.656 | 81% | 0.809 | S | S | * | * | trans | -99.7 | 108 | 163.9 | -58.8 | 176.8 | 0 | 0 | 0 | 105 | A160 G164 | A160-I162 PolarHBondContact O-N 3.26Å; I162-G164 PolarHBondContact O-N 3.18Å | ||
| 163 | G | 28.4 | Very low | 32.1 | Very low | 79 Ų | 79 | 124 Ų | 124 | 81% | 0.814 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -59.8 | 133.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 164 | G | 27.7 | Very low | 31.8 | Very low | 81 Ų | 81 | 120.9 Ų | 120.9 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | S | Bend | trans | 109.3 | 73 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I162 | I162-G164 PolarHBondContact O-N 3.18Š|
| 165 | G | 29.2 | Very low | 31.3 | Very low | 69 Ų | 69 | 119.9 Ų | 119.9 | 71% | 0.711 | 80% | 0.804 | S | S | * | * | trans | 104.8 | 96.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | I167 | G165-I167 PolarHBondContact O-N 3.18Š| ||
| 166 | T | 29.8 | Very low | 31.2 | Very low | 148 Ų | 148 | 114 Ų | 114 | 91% | 0.908 | 81% | 0.807 | S | S | * | * | trans | -69.9 | 102.9 | 165.2 | 32.7 | 0 | 0 | 0 | 0 | 110 | G168 | T166-G168 PolarHBondContact O-N 2.96Š| ||
| 167 | I | 31.7 | Very low | 31.2 | Very low | 173 Ų | 173 | 114.3 Ų | 114.3 | 89% | 0.887 | 81% | 0.81 | S | S | * | * | trans | -90.4 | 91.4 | 158.2 | -34 | 175.9 | 0 | 0 | 0 | 105.3 | G165 G169 | G165-I167 PolarHBondContact O-N 3.18Å; I167-G169 PolarHBondContact O-N 3.33Å | ||
| 168 | G | 27.8 | Very low | 31.2 | Very low | 77 Ų | 77 | 117.6 Ų | 117.6 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -67 | 113 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | T166 | T166-G168 PolarHBondContact O-N 2.96Š| ||
| 169 | G | 27.9 | Very low | 31.2 | Very low | 65 Ų | 65 | 116 Ų | 116 | 67% | 0.67 | 81% | 0.81 | S | S | * | * | trans | -129.4 | 105.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | I167 I171 | I167-G169 PolarHBondContact O-N 3.33Å; G169-I171 PolarHBondContact O-N 2.82Å | ||
| 170 | E | 29.4 | Very low | 31.4 | Very low | 193 Ų | 193 | 116.1 Ų | 116.1 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | trans | -69 | 117 | 172.4 | -65.3 | -177.1 | 164.6 | 0 | 0 | 108.8 | S172 | E170-S172 PolarHBondContact O-N 3.14Š| ||
| 171 | I | 35.8 | Very low | 31.6 | Very low | 173 Ų | 173 | 123.4 Ų | 123.4 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | -87.1 | 84.2 | 168.6 | 1.6 | 174 | 0 | 0 | 0 | 106.7 | G169 G173 | G169-I171 PolarHBondContact O-N 2.82Å; I171-G173 PolarHBondContact O-N 3.1Å | ||
| 172 | S | 37.3 | Very low | 31.6 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | trans | -64.9 | 117.4 | 169.8 | 61.2 | 0 | 0 | 0 | 0 | 108.9 | E170 G174 | E170-S172 PolarHBondContact O-N 3.14Å; S172-G174 PolarHBondContact O-N 3.49Å; S172-G174 VanDerWaalsContact O-N 3.1Å | ||
| 173 | G | 32.2 | Very low | 31.6 | Very low | 83 Ų | 83 | 118.3 Ų | 118.3 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -66 | 105 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I171 | I171-G173 PolarHBondContact O-N 3.1Š| ||
| 174 | G | 31 | Very low | 31.7 | Very low | 77 Ų | 77 | 124.1 Ų | 124.1 | 79% | 0.794 | 82% | 0.816 | S | S | * | * | trans | -84.6 | 111.3 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | S172 | S172-G174 PolarHBondContact O-N 3.49Å; S172-G174 VanDerWaalsContact O-N 3.1Å | ||
| 175 | G | 30.5 | Very low | 32 | Very low | 74 Ų | 74 | 130.2 Ų | 130.2 | 76% | 0.763 | 81% | 0.814 | S | S | * | * | trans | -62.3 | 162.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 176 | A | 34.6 | Very low | 32.2 | Very low | 117 Ų | 117 | 135.4 Ų | 135.4 | 97% | 0.967 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -52.2 | 130.4 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 177 | G | 32.1 | Very low | 32.3 | Very low | 67 Ų | 67 | 133.7 Ų | 133.7 | 69% | 0.691 | 81% | 0.809 | S | S | * | * | trans | 173.4 | 114.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S179 | G177-S179 PolarHBondContact O-N 2.91Å; G177-S179 VanDerWaalsContact O-N 3.14Å | ||
| 178 | E | 31.7 | Very low | 32.5 | Very low | 211 Ų | 211 | 132.1 Ų | 132.1 | 99% | 0.986 | 80% | 0.801 | S | S | * | * | trans | -52.4 | 115.1 | 172.1 | -73.3 | 170.1 | 132.6 | 0 | 0 | 109.6 | ||||
| 179 | S | 33.8 | Very low | 32.8 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 80% | 0.802 | S | S | * | * | trans | -143.2 | 113.8 | 165.2 | -160.8 | 0 | 0 | 0 | 0 | 109.7 | G177 R181 | G177-S179 PolarHBondContact O-N 2.91Å; G177-S179 VanDerWaalsContact O-N 3.14Å; S179-R181 PolarHBondContact O-N 3.49Å; S179-R181 VanDerWaalsContact O-N 3.09Å | ||
| 180 | S | 34.8 | Very low | 33.1 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -44.6 | 104.1 | 179.2 | -158.7 | 0 | 0 | 0 | 0 | 111.3 | T182 | S180-T182 PolarHBondContact O-N 2.88Š| ||
| 181 | R | 36.1 | Very low | 33.5 | Very low | 235 Ų | 235 | 138.6 Ų | 138.6 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | -80.1 | 100.9 | 176 | -76.3 | -177 | -176 | 154.6 | 2 | 109.4 | S179 V183 | S179-R181 PolarHBondContact O-N 3.49Å; S179-R181 VanDerWaalsContact O-N 3.09Å; R181-V183 PolarHBondContact O-N 3.32Å | ||
| 182 | T | 27.1 | Very low | 33.7 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 76% | 0.761 | 80% | 0.796 | S | S | * | * | trans | -57.7 | 112.1 | 165.2 | 47.7 | 0 | 0 | 0 | 0 | 109.9 | S180 K184 | S180-T182 PolarHBondContact O-N 2.88Å; T182-K184 PolarHBondContact O-N 3.48Å | ||
| 183 | V | 34.6 | Very low | 33.6 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 65% | 0.648 | 80% | 0.796 | S | S | * | * | trans | -78.5 | 99.8 | 178.5 | -175.7 | 0 | 0 | 0 | 0 | 108.6 | R181 R185 | R181-V183 PolarHBondContact O-N 3.32Å; V183-R185 HydrophobicContact CG1-CG 3.86Å; V183-R185 PolarHBondContact O-N 2.84Å | ||
| 184 | K | 30.8 | Very low | 33.7 | Very low | 200 Ų | 200 | 144.8 Ų | 144.8 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | trans | -70 | 97.4 | 163.8 | -70.1 | -174 | 177.9 | -176.4 | 0 | 107.5 | T182 E186 | T182-K184 PolarHBondContact O-N 3.48Å; K184-E186 PolarHBondContact O-N 3.46Å | ||
| 185 | R | 34.5 | Very low | 33.9 | Very low | 209 Ų | 209 | 147.6 Ų | 147.6 | 79% | 0.789 | 80% | 0.795 | S | S | * | * | trans | -77.4 | 99.6 | 172.1 | -73 | -174.5 | 170.9 | 95.3 | -4.1 | 107.8 | V183 V187 | V183-R185 HydrophobicContact CG1-CG 3.86Å; V183-R185 PolarHBondContact O-N 2.84Å; R185-V187 PolarHBondContact O-N 3.45Å | ||
| 186 | E | 33.2 | Very low | 34.1 | Very low | 179 Ų | 179 | 148.8 Ų | 148.8 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -78.7 | 103.8 | 169.1 | -162.8 | 150 | -157.3 | 0 | 0 | 107.4 | K184 I188 | K184-E186 PolarHBondContact O-N 3.46Å; E186-I188 PolarHBondContact O-N 2.82Å; E186-I188 VanDerWaalsContact O-N 3.08Å | ||
| 187 | V | 31.7 | Very low | 34.1 | Very low | 111 Ų | 111 | 151.7 Ų | 151.7 | 67% | 0.673 | 79% | 0.785 | S | S | * | * | trans | -77.5 | 92.4 | 178.5 | 179.2 | 0 | 0 | 0 | 0 | 107.2 | R185 R189 | R185-V187 PolarHBondContact O-N 3.45Å; V187-R189 HydrophobicContact CG1-CG 4.41Å; V187-R189 PolarHBondContact O-N 2.74Å | ||
| 188 | I | 35.5 | Very low | 34.1 | Very low | 140 Ų | 140 | 157 Ų | 157 | 72% | 0.718 | 79% | 0.792 | S | S | * | * | trans | -69.6 | 108.1 | 167.6 | -59.5 | 171.7 | 0 | 0 | 0 | 105.9 | E186 | E186-I188 PolarHBondContact O-N 2.82Å; E186-I188 VanDerWaalsContact O-N 3.08Å | ||
| 189 | R | 33.5 | Very low | 33.9 | Very low | 216 Ų | 216 | 152.9 Ų | 152.9 | 82% | 0.815 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 116.9 | 170.5 | -85.7 | -172.9 | -93.6 | -102.8 | 1.2 | 108 | V187 | V187-R189 HydrophobicContact CG1-CG 4.41Å; V187-R189 PolarHBondContact O-N 2.74Å |
| 190 | D | 35.2 | Very low | 34 | Very low | 135 Ų | 135 | 154 Ų | 154 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 139.4 | 170.3 | -66.1 | -41.5 | 0 | 0 | 0 | 109.7 | V192 | D190-V192 PolarHBondContact O-N 3.03Š|
| 191 | P | 37.3 | Very low | 33.8 | Very low | 121 Ų | 121 | 155.9 Ų | 155.9 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 119.5 | -178.7 | 27.3 | -32.3 | 0 | 0 | 0 | 109.8 | Q193 | P191-Q193 PolarHBondContact O-N 2.8Š|
| 192 | V | 40.3 | Very low | 33.9 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -63.8 | 114.2 | 170.3 | 178.5 | 0 | 0 | 0 | 0 | 107.3 | D190 E194 | D190-V192 PolarHBondContact O-N 3.03Å; V192-E194 PolarHBondContact O-N 2.87Å | ||
| 193 | Q | 34.7 | Very low | 34.3 | Very low | 165 Ų | 165 | 154.9 Ų | 154.9 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | -66.5 | 119 | 167.3 | -69.4 | -171.6 | -90.3 | 0 | 0 | 107.5 | P191 D195 | P191-Q193 PolarHBondContact O-N 2.8Å; Q193-D195 PolarHBondContact O-N 2.77Å | ||
| 194 | E | 33.9 | Very low | 34.4 | Very low | 192 Ų | 192 | 158.5 Ų | 158.5 | 90% | 0.897 | 79% | 0.785 | S | S | * | * | trans | -72.5 | 78.7 | 175.4 | -120.9 | 170.3 | -169.1 | 0 | 0 | 108.3 | V192 S196 | V192-E194 PolarHBondContact O-N 2.87Å; E194-S196 PolarHBondContact O-N 3.45Å | ||
| 195 | D | 36.2 | Very low | 34.5 | Very low | 136 Ų | 136 | 155.2 Ų | 155.2 | 73% | 0.727 | 78% | 0.782 | S | S | * | * | trans | -84.5 | 104.2 | 166.1 | -57.8 | -3.5 | 0 | 0 | 0 | 105.4 | Q193 | Q193-D195 PolarHBondContact O-N 2.77Š| ||
| 196 | S | 33.9 | Very low | 34.8 | Very low | 99 Ų | 99 | 155.2 Ų | 155.2 | 69% | 0.692 | 78% | 0.782 | S | S | * | * | trans | -49.8 | 143.9 | 176.4 | 50.2 | 0 | 0 | 0 | 0 | 112.7 | E194 | E194-S196 PolarHBondContact O-N 3.45Š| ||
| 197 | E | 34.6 | Very low | 35 | Very low | 179 Ų | 179 | 154.2 Ų | 154.2 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | 118.3 | 115.6 | 154 | -60.6 | 175.8 | -174.7 | 0 | 0 | 116.6 | ||||
| 198 | E | 32.1 | Very low | 35.3 | Very low | 177 Ų | 177 | 156.1 Ų | 156.1 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | 78.1 | 86.2 | 148.8 | -101.1 | 178.5 | 168.4 | 0 | 0 | 121.7 | ||||
| 199 | T | 28 | Very low | 35.2 | Very low | 125 Ų | 125 | 159.5 Ų | 159.5 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | 12.8 | 108.4 | 126.6 | 54.6 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 200 | V | 36.3 | Very low | 35.3 | Very low | 131 Ų | 131 | 157.9 Ų | 157.9 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -142.9 | 116.7 | 131.7 | -178.7 | 0 | 0 | 0 | 0 | 109.1 | L202 | V200-L202 PolarHBondContact O-N 2.92Š| ||
| 201 | Q | 31 | Very low | 35.3 | Very low | 156 Ų | 156 | 157.3 Ų | 157.3 | 73% | 0.729 | 79% | 0.788 | S | S | * | * | trans | -67.5 | 109.7 | 175.6 | -66.6 | -125.4 | 38.5 | 0 | 0 | 111.3 | ||||
| 202 | L | 37.2 | Very low | 35.3 | Very low | 157 Ų | 157 | 157 Ų | 157 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -128.6 | 73.9 | 158.3 | -77.2 | 168.7 | 0 | 0 | 0 | 109 | V200 K204 | V200-L202 PolarHBondContact O-N 2.92Å; L202-K204 PolarHBondContact O-N 3.02Å | ||
| 203 | K | 35.5 | Very low | 35.4 | Very low | 181 Ų | 181 | 156.9 Ų | 156.9 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -65.1 | 83.3 | 161.7 | -84.4 | 179.4 | 174.7 | 177.1 | 0 | 108.8 | T205 | K203-T205 PolarHBondContact O-N 3.29Š| ||
| 204 | K | 36.5 | Very low | 35.7 | Very low | 183 Ų | 183 | 157.5 Ų | 157.5 | 80% | 0.796 | 79% | 0.789 | S | S | * | * | trans | -90 | 82.8 | 170 | -149.8 | 167 | -172.3 | 173.1 | 0 | 108.5 | L202 R206 | L202-K204 PolarHBondContact O-N 3.02Å; K204-R206 PolarHBondContact O-N 3.11Å | ||
| 205 | T | 34 | Very low | 35.7 | Very low | 130 Ų | 130 | 156.1 Ų | 156.1 | 80% | 0.798 | 79% | 0.787 | S | S | * | * | trans | -60.6 | 101.3 | 172.3 | -51.1 | 0 | 0 | 0 | 0 | 108.8 | K203 E207 | K203-T205 PolarHBondContact O-N 3.29Å; T205-E207 PolarHBondContact O-N 2.99Å | ||
| 206 | R | 39.6 | Very low | 35.9 | Very low | 209 Ų | 209 | 158.6 Ų | 158.6 | 79% | 0.789 | 79% | 0.794 | S | S | * | * | trans | -84.5 | 105 | 172.2 | -77.5 | -173 | 175.1 | -159.5 | -2.8 | 108.5 | K204 | K204-R206 PolarHBondContact O-N 3.11Š| ||
| 207 | E | 37.2 | Very low | 35.8 | Very low | 159 Ų | 159 | 159.4 Ų | 159.4 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | trans | -72.3 | 118.4 | 175 | -164.7 | 177.6 | -145.6 | 0 | 0 | 109.4 | T205 R209 | T205-E207 PolarHBondContact O-N 2.99Å; E207-R209 PolarHBondContact O-N 3.02Å | ||
| 208 | I | 38 | Very low | 35.8 | Very low | 151 Ų | 151 | 155.3 Ų | 155.3 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | trans | -82.1 | 108.3 | 178.6 | -63.7 | 160.2 | 0 | 0 | 0 | 107.1 | ||||
| 209 | R | 34.4 | Very low | 35.7 | Very low | 210 Ų | 210 | 152.7 Ų | 152.7 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | trans | -88.7 | 109.8 | 167.8 | -70.5 | -173.4 | 178 | -170.2 | -1.1 | 108.7 | E207 | E207-R209 PolarHBondContact O-N 3.02Š| ||
| 210 | E | 35.1 | Very low | 35.9 | Very low | 182 Ų | 182 | 156 Ų | 156 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 124.2 | 171.7 | -64.8 | -177.1 | 165.3 | 0 | 0 | 109.2 | ||
| 211 | V | 35 | Very low | 35.6 | Very low | 123 Ų | 123 | 155.4 Ų | 155.4 | 75% | 0.745 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 121.8 | 172.4 | -165 | 0 | 0 | 0 | 0 | 107 | V213 | V211-V213 PolarHBondContact O-N 3.39Š|
| 212 | P | 38.6 | Very low | 35.4 | Very low | 115 Ų | 115 | 159.5 Ų | 159.5 | 75% | 0.747 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 131.3 | -178.9 | 26.7 | -31.9 | 0 | 0 | 0 | 110.4 | ||
| 213 | V | 42.5 | Very low | 35.2 | Very low | 135 Ų | 135 | 160.3 Ų | 160.3 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -91.6 | 113 | 174.9 | 178.7 | 0 | 0 | 0 | 0 | 107.3 | V211 | V211-V213 PolarHBondContact O-N 3.39Š| ||
| 214 | E | 40.2 | Very low | 35.1 | Very low | 178 Ų | 178 | 157.6 Ų | 157.6 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -74.8 | 138.1 | 172 | -65 | -147.4 | 161.1 | 0 | 0 | 111.3 | E216 | E214-E216 PolarHBondContact O-N 3.43Å; E214-E216 VanDerWaalsContact O-N 3.15Å | ||
| 215 | D | 34.4 | Very low | 35.2 | Very low | 162 Ų | 162 | 154.8 Ų | 154.8 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | -71.4 | 96.1 | -177.8 | -72.3 | -47.1 | 0 | 0 | 0 | 111.5 | ||||
| 216 | E | 40 | Very low | 35.1 | Very low | 188 Ų | 188 | 155.3 Ų | 155.3 | 88% | 0.879 | 78% | 0.783 | S | S | * | * | trans | -108.3 | 89.2 | 160.9 | -74.1 | -156.8 | 164 | 0 | 0 | 111.8 | E214 S218 | E214-E216 PolarHBondContact O-N 3.43Å; E214-E216 VanDerWaalsContact O-N 3.15Å; E216-S218 PolarHBondContact O-N 3.37Å | ||
| 217 | S | 31.9 | Very low | 35.1 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -46.1 | 110.6 | 148.3 | 131.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 218 | S | 34.7 | Very low | 35 | Very low | 93 Ų | 93 | 156.4 Ų | 156.4 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | 174.8 | 113.7 | 129.5 | 55.1 | 0 | 0 | 0 | 0 | 112.7 | E216 | E216-S218 PolarHBondContact O-N 3.37Š| |||
| 219 | T | 29.2 | Very low | 34.8 | Very low | 122 Ų | 122 | 154.9 Ų | 154.9 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 31 | 107.3 | 135.3 | 61.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 220 | K | 31.7 | Very low | 35.1 | Very low | 194 Ų | 194 | 151.1 Ų | 151.1 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | 155.9 | 134.9 | 113.2 | -91 | 169.5 | 179.9 | 172.9 | 0 | 113.6 | |||||
| 221 | T | 30.4 | Very low | 35.4 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | 73.4 | 84.1 | 153.7 | -30.8 | 0 | 0 | 0 | 0 | 118 | K223 | T221-K223 PolarHBondContact O-N 3.22Š| ||
| 222 | R | 27.5 | Very low | 35.7 | Very low | 242 Ų | 242 | 149.4 Ų | 149.4 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | trans | -35.2 | 88.9 | 152.8 | -156.5 | 179.9 | -158.8 | 167.6 | 4.5 | 112.9 | ||||
| 223 | K | 33.4 | Very low | 35.8 | Very low | 174 Ų | 174 | 149.9 Ų | 149.9 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | trans | -118.4 | 93.4 | 156.9 | -87.9 | -175.3 | 178.4 | 176.6 | 0 | 107.6 | T221 I225 | T221-K223 PolarHBondContact O-N 3.22Å; K223-I225 PolarHBondContact O-N 3.47Å | ||
| 224 | T | 32.3 | Very low | 35.8 | Very low | 124 Ų | 124 | 152.9 Ų | 152.9 | 76% | 0.761 | 77% | 0.77 | S | S | * | * | trans | -68.4 | 83.8 | 174.2 | -45 | 0 | 0 | 0 | 0 | 108.7 | N226 | T224-N226 PolarHBondContact O-N 2.92Š| ||
| 225 | I | 38.1 | Very low | 35.7 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -82.3 | 101.3 | 167.8 | -66.2 | 176 | 0 | 0 | 0 | 106.2 | K223 K227 | K223-I225 PolarHBondContact O-N 3.47Å; I225-K227 HydrophobicContact CG2-CB 4.48Å; I225-K227 HydrophobicContact CG2-CD 4.05Å; I225-K227 HydrophobicContact CG2-CG 3.79Å; I225-K227 PolarHBondContact O-N 3.21Å | ||
| 226 | N | 33 | Very low | 36 | Very low | 142 Ų | 142 | 152.2 Ų | 152.2 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -74.9 | 69.4 | 179.3 | -149.7 | 5.6 | 0 | 0 | 0 | 109.2 | T224 R228 | T224-N226 PolarHBondContact O-N 2.92Å; N226-R228 PolarHBondContact O-N 2.98Å | ||
| 227 | K | 40.2 | Very low | 35.8 | Very low | 173 Ų | 173 | 150.4 Ų | 150.4 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | trans | -86 | 98.8 | 171.7 | -87 | 177 | -178.6 | -172.2 | 0 | 108.1 | I225 T229 | I225-K227 HydrophobicContact CG2-CB 4.48Å; I225-K227 HydrophobicContact CG2-CD 4.05Å; I225-K227 HydrophobicContact CG2-CG 3.79Å; I225-K227 PolarHBondContact O-N 3.21Å; K227-T229 VanDerWaalsContact C-N 3.35Å; K227-T229 PolarHBondContact O-N 3.01Å; K227-T229 VanDerWaalsContact O-N 3.12Å | ||
| 228 | R | 34.9 | Very low | 36 | Very low | 217 Ų | 217 | 152.2 Ų | 152.2 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | trans | -66.9 | 100.8 | 155.3 | -76.4 | -175.3 | -158.5 | 126 | 4.6 | 106.7 | N226 I230 | N226-R228 PolarHBondContact O-N 2.98Å; R228-I230 PolarHBondContact O-N 2.74Å | ||
| 229 | T | 34.4 | Very low | 36.1 | Very low | 120 Ų | 120 | 155.5 Ų | 155.5 | 74% | 0.736 | 78% | 0.779 | S | S | * | * | trans | -70.1 | 103.9 | 157.3 | 22.5 | 0 | 0 | 0 | 0 | 106.8 | K227 I231 | K227-T229 VanDerWaalsContact C-N 3.35Å; K227-T229 PolarHBondContact O-N 3.01Å; K227-T229 VanDerWaalsContact O-N 3.12Å; T229-I231 PolarHBondContact O-N 3.42Å | ||
| 230 | I | 38.7 | Very low | 36.5 | Very low | 131 Ų | 131 | 157.5 Ų | 157.5 | 67% | 0.672 | 78% | 0.78 | S | S | * | * | trans | -74.9 | 111.5 | 161.9 | -60.7 | 173.2 | 0 | 0 | 0 | 103.9 | R228 D232 | R228-I230 PolarHBondContact O-N 2.74Å; I230-D232 WeakPolarHBondContact CG2-OD1 3.28Å | ||
| 231 | I | 41.8 | Very low | 36.8 | Very low | 133 Ų | 133 | 155.2 Ų | 155.2 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | trans | -88.2 | 101.5 | 169.2 | -59.7 | 172.1 | 0 | 0 | 0 | 103.6 | T229 D233 | T229-I231 PolarHBondContact O-N 3.42Å; I231-D233 PolarHBondContact O-N 3.43Å | ||
| 232 | D | 41.7 | Very low | 37.2 | Very low | 136 Ų | 136 | 157.6 Ų | 157.6 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -76.1 | 103.7 | 165.8 | -66.5 | -44.8 | 0 | 0 | 0 | 106.2 | I230 E234 | I230-D232 WeakPolarHBondContact CG2-OD1 3.28Å; D232-E234 VanDerWaalsContact C-N 3.28Å; D232-E234 PolarHBondContact O-N 3.34Å | ||
| 233 | D | 41.2 | Very low | 37.9 | Very low | 124 Ų | 124 | 151.6 Ų | 151.6 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | trans | -69.1 | 89.1 | 166.1 | -76.6 | -31.9 | 0 | 0 | 0 | 107.1 | I231 S235 | I231-D233 PolarHBondContact O-N 3.43Å; D233-S235 PolarHBondContact O-N 3.31Å | ||
| 234 | E | 41.7 | Very low | 38.3 | Very low | 199 Ų | 199 | 149.8 Ų | 149.8 | 93% | 0.93 | 77% | 0.771 | S | S | * | * | trans | -71.3 | 86 | 158.5 | -99.2 | -179.2 | 167.7 | 0 | 0 | 107.5 | D232 | D232-E234 VanDerWaalsContact C-N 3.28Å; D232-E234 PolarHBondContact O-N 3.34Å | ||
| 235 | S | 38.5 | Very low | 38.8 | Very low | 90 Ų | 90 | 152 Ų | 152 | 63% | 0.629 | 77% | 0.772 | S | S | * | * | trans | -102 | 98.3 | 163.4 | 57 | 0 | 0 | 0 | 0 | 108.8 | D233 | D233-S235 PolarHBondContact O-N 3.31Š| ||
| 236 | D | 41.4 | Very low | 38.9 | Very low | 235 Ų | 235 | 154.5 Ų | 154.5 | 100% | 1.257 | 78% | 0.784 | S | S | * | * | 157.2 | 0 | 129.4 | -76.6 | -15.1 | 0 | 0 | 0 | 111 |
Retrieved 236 of 236 residues in 50.2 ms
(Link to these results)