| 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 | 38.3 | Very low | 40.6 | Very low | 236 Ų | 236 | 166 Ų | 166 | 100% | 1.163 | 86% | 0.856 | S | S | * | * | 0 | 74.1 | 0 | -59.2 | -157.8 | -151.3 | 0 | 0 | 106.5 | |||||
| 2 | S | 36.9 | Very low | 41.6 | Very low | 120 Ų | 120 | 161.8 Ų | 161.8 | 84% | 0.839 | 84% | 0.843 | S | S | * | * | 50.7 | 109.1 | 103.3 | 32.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 3 | E | 40.8 | Very low | 42.7 | Very low | 181 Ų | 181 | 160.5 Ų | 160.5 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | trans | -54.4 | 147.1 | 171 | -66.3 | 155.3 | 107.5 | 0 | 0 | 112.8 | ||||
| 4 | L | 38.7 | Very low | 43.6 | Very low | 156 Ų | 156 | 161.7 Ų | 161.7 | 82% | 0.817 | 84% | 0.835 | S | S | * | * | trans | -157.7 | 74.7 | 149.1 | -150.8 | 71.4 | 0 | 0 | 0 | 110.7 | K6 | L4-K6 PolarHBondContact O-N 2.95Š| ||
| 5 | T | 41.8 | Very low | 44.1 | Very low | 133 Ų | 133 | 163.4 Ų | 163.4 | 82% | 0.816 | 83% | 0.834 | S | S | * | * | trans | -74.9 | 103 | 160.2 | 38.3 | 0 | 0 | 0 | 0 | 107.9 | K7 | T5-K7 PolarHBondContact O-N 2.71Å; T5-K7 VanDerWaalsContact O-N 3.14Å | ||
| 6 | K | 40.4 | Very low | 45.2 | Very low | 181 Ų | 181 | 160.2 Ų | 160.2 | 79% | 0.787 | 83% | 0.827 | S | S | * | * | trans | -60.2 | 112.5 | 170.6 | -75.1 | 177.9 | 174.7 | -180 | 0 | 108.8 | L4 | L4-K6 PolarHBondContact O-N 2.95Š| ||
| 7 | K | 36.3 | Very low | 46.1 | Very low | 209 Ų | 209 | 160.1 Ų | 160.1 | 91% | 0.909 | 83% | 0.827 | S | S | * | * | trans | -83.5 | 107.1 | 168.6 | -154.1 | 175.5 | -173.9 | -178.7 | 0 | 106.1 | T5 | T5-K7 PolarHBondContact O-N 2.71Å; T5-K7 VanDerWaalsContact O-N 3.14Å | ||
| 8 | T | 40.4 | Very low | 46.9 | Very low | 125 Ų | 125 | 157.1 Ų | 157.1 | 77% | 0.767 | 82% | 0.819 | S | S | * | * | trans | -73.8 | 136.4 | -177.8 | -42.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 9 | D | 41.5 | Very low | 48 | Very low | 153 Ų | 153 | 153.4 Ų | 153.4 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -11.1 | 132 | 177 | -75.2 | -72.3 | 0 | 0 | 0 | 119.6 | ||||
| 10 | E | 46.5 | Very low | 49.9 | Very low | 175 Ų | 175 | 151.5 Ų | 151.5 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -56.3 | 129.1 | 166.7 | -62 | -179.1 | 127.5 | 0 | 0 | 110.9 | V12 | E10-V12 PolarHBondContact O-N 3.09Š| ||
| 11 | D | 44.9 | Very low | 51.8 | Low | 157 Ų | 157 | 151.3 Ų | 151.3 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | -58.1 | 88.4 | 155.6 | -98.6 | -56.3 | 0 | 0 | 0 | 108.5 | I13 | D11-I13 PolarHBondContact O-N 2.73Š| ||
| 12 | V | 52.5 | Low | 54.3 | Low | 115 Ų | 115 | 141.7 Ų | 141.7 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | trans | -71 | 89 | 161.6 | -179.6 | 0 | 0 | 0 | 0 | 106 | E10 E14 | E10-V12 PolarHBondContact O-N 3.09Å; V12-E14 VanDerWaalsContact C-N 3.28Å; V12-E14 PolarHBondContact O-N 2.72Å | ||
| 13 | I | 56.4 | Low | 56.8 | Low | 146 Ų | 146 | 140.2 Ų | 140.2 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | trans | -58.6 | 97.9 | 164.1 | -60 | 169.2 | 0 | 0 | 0 | 105.8 | D11 K15 | D11-I13 PolarHBondContact O-N 2.73Å; I13-K15 PolarHBondContact O-N 2.77Å | ||
| 14 | E | 54.3 | Low | 59.3 | Low | 177 Ų | 177 | 137.3 Ų | 137.3 | 83% | 0.827 | 71% | 0.707 | S | S | * | * | trans | -58.6 | 95.2 | 165.7 | -81.3 | -167.3 | 162.3 | 0 | 0 | 106.9 | V12 P16 | V12-E14 VanDerWaalsContact C-N 3.28Å; V12-E14 PolarHBondContact O-N 2.72Å; E14-P16 VanDerWaalsContact O-CD 3.26Å; E14-P16 WeakPolarHBondContact O-CD 3.27Å; E14-P16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | K | 52.5 | Low | 61.9 | Low | 187 Ų | 187 | 132.2 Ų | 132.2 | 81% | 0.813 | 68% | 0.679 | S | S | * | * | trans | -62.1 | 115.5 | 173.5 | -168.9 | 173.1 | -176.4 | 175.4 | 0 | 105.7 | I13 L17 | I13-K15 PolarHBondContact O-N 2.77Å; K15-L17 PolarHBondContact O-N 3.12Å | ||
| 16 | P | 60.9 | Low | 64.4 | Low | 112 Ų | 112 | 130.4 Ų | 130.4 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -56 | 130.7 | -179.8 | 20.9 | -30.4 | 0 | 0 | 0 | 107.7 | E14 | E14-P16 VanDerWaalsContact O-CD 3.26Å; E14-P16 WeakPolarHBondContact O-CD 3.27Å; E14-P16 VanDerWaalsContact O-N 3.11Å |
| 17 | L | 60.9 | Low | 67.1 | Low | 159 Ų | 159 | 123.4 Ų | 123.4 | 83% | 0.832 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 133.4 | 177.1 | -71.2 | 167 | 0 | 0 | 0 | 108 | K15 | K15-L17 PolarHBondContact O-N 3.12Š|
| 18 | P | 59.4 | Low | 69.9 | Low | 105 Ų | 105 | 114.5 Ų | 114.5 | 68% | 0.682 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 136.5 | 179 | 19.8 | -29.8 | 0 | 0 | 0 | 108.6 | N20 | P18-N20 PolarHBondContact O-N 2.89Š|
| 19 | P | 68.8 | Low | 72.5 | Confident | 87 Ų | 87 | 113.1 Ų | 113.1 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 137.6 | -178.4 | -3.1 | 0.1 | 0 | 0 | 0 | 109.9 | W21 | P19-W21 VanDerWaalsContact C-N 3.31Å; P19-W21 PolarHBondContact O-N 3.24Å |
| 20 | N | 84.8 | Confident | 75.1 | Confident | 116 Ų | 116 | 109.4 Ų | 109.4 | 62% | 0.62 | 56% | 0.563 | S | S | * | * | trans | -60.6 | 94.8 | 176 | -73.5 | -25.6 | 0 | 0 | 0 | 109 | P18 I22 L23 | P18-N20 PolarHBondContact O-N 2.89Å; N20-I22 PolarHBondContact O-N 3.14Å; N20-I22 VanDerWaalsContact O-N 3.12Å; N20-L23 HydrophobicContact CB-CB 4.46Å; N20-L23 HydrophobicContact CB-CD1 3.83Å; N20-L23 HydrophobicContact CB-CG 3.86Å; N20-L23 WeakPolarHBondContact O-CB 3.48Å; N20-L23 PolarHBondContact O-N 2.95Å | ||
| 21 | W | 90.4 | Very high | 77.4 | Confident | 147 Ų | 147 | 101.1 Ų | 101.1 | 56% | 0.557 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57 | -31.5 | -172.9 | 65.9 | -94.1 | 0 | 0 | 0 | 112.5 | P19 L23 Q24 H25 F46 L50 | P19-W21 VanDerWaalsContact C-N 3.31Å; P19-W21 PolarHBondContact O-N 3.24Å; W21-L23 VanDerWaalsContact C-N 3.29Å; W21-L23 PolarHBondContact O-N 3.25Å; W21-Q24 CarbonylContact O-C 3.57Å; W21-Q24 PolarHBondContact O-N 3.23Å; W21-Q24 VanDerWaalsContact O-N 3.1Å; W21-H25 PolarHBondContact O-N 3.45Å; W21-F46 HydrophobicContact CH2-CE1 4.01Å; W21-F46 HydrophobicContact CH2-CZ 4.4Å; W21-F46 AromaticContact CZ3-CE1 3.88Å; W21-F46 HydrophobicContact CZ3-CE1 3.88Å; W21-F46 AromaticContact CZ3-CZ 3.9Å; W21-F46 HydrophobicContact CZ3-CZ 3.9Å; W21-L50 HydrophobicContact CH2-CD1 3.98Å |
| 22 | I | 90.6 | Very high | 79.7 | Confident | 34 Ų | 34 | 97 Ų | 97 | 17% | 0.174 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -56.6 | -45.1 | 175.3 | -63.7 | -177.8 | 0 | 0 | 0 | 110.5 | N20 Q24 H25 Y28 F46 | N20-I22 PolarHBondContact O-N 3.14Å; N20-I22 VanDerWaalsContact O-N 3.12Å; I22-Q24 PolarHBondContact O-N 3.34Å; I22-H25 WeakPolarHBondContact O-CB 3.31Å; I22-H25 PolarHBondContact O-N 3.43Å; I22-H25 VanDerWaalsContact O-N 3.09Å; I22-Y28 HydrophobicContact CG2-CD1 4.24Å; I22-Y28 HydrophobicContact CG2-CD2 3.56Å; I22-Y28 HydrophobicContact CG2-CE1 4.33Å; I22-Y28 HydrophobicContact CG2-CE2 3.65Å; I22-Y28 HydrophobicContact CG2-CG 3.85Å; I22-Y28 WeakPolarHBondContact O-CB 3.44Å; I22-Y28 WeakPolarHBondContact O-CD1 3.26Å; I22-Y28 VanDerWaalsContact O-CG 3.3Å; I22-F46 HydrophobicContact CB-CE1 4.28Å; I22-F46 HydrophobicContact CG1-CE1 4.06Å; I22-F46 HydrophobicContact CG2-CD1 3.76Å; I22-F46 HydrophobicContact CG2-CE1 3.75Å |
| 23 | L | 90.1 | Very high | 81.7 | Confident | 90 Ų | 90 | 97.7 Ų | 97.7 | 47% | 0.471 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.2 | -20.7 | -178.2 | -56.2 | -176.7 | 0 | 0 | 0 | 112.8 | N20 W21 Y28 Q29 | N20-L23 HydrophobicContact CB-CB 4.46Å; N20-L23 HydrophobicContact CB-CD1 3.83Å; N20-L23 HydrophobicContact CB-CG 3.86Å; N20-L23 WeakPolarHBondContact O-CB 3.48Å; N20-L23 PolarHBondContact O-N 2.95Å; W21-L23 VanDerWaalsContact C-N 3.29Å; W21-L23 PolarHBondContact O-N 3.25Å; L23-Y28 HydrophobicContact CD2-CD1 4.26Å; L23-Y28 HydrophobicContact CD2-CE1 3.45Å; L23-Y28 VanDerWaalsContact CD2-CE1 3.45Å; L23-Q29 WeakPolarHBondContact O-CG 3.49Å; L23-Q29 PolarHBondContact O-NE2 2.99Å |
| 24 | Q | 92.3 | Very high | 83.4 | Confident | 120 Ų | 120 | 93 Ų | 93 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -95.3 | -9.8 | 177.7 | -60.4 | -178.3 | -5.6 | 0 | 0 | 112.3 | W21 I22 | W21-Q24 CarbonylContact O-C 3.57Å; W21-Q24 PolarHBondContact O-N 3.23Å; W21-Q24 VanDerWaalsContact O-N 3.1Å; I22-Q24 PolarHBondContact O-N 3.34Å |
| 25 | H | 94.3 | Very high | 84.5 | Confident | 48 Ų | 48 | 91.8 Ų | 91.8 | 22% | 0.222 | 48% | 0.476 | C | S | . | . | trans | -67.5 | 126 | -178 | -170.4 | -79.1 | 0 | 0 | 0 | 109.8 | W21 I22 M27 Y28 Q29 F46 Y49 | W21-H25 PolarHBondContact O-N 3.45Å; I22-H25 WeakPolarHBondContact O-CB 3.31Å; I22-H25 PolarHBondContact O-N 3.43Å; I22-H25 VanDerWaalsContact O-N 3.09Å; H25-M27 VanDerWaalsContact CE1-CB 3.46Å; H25-M27 WeakPolarHBondContact CE1-CB 3.44Å; H25-M27 WeakPolarHBondContact ND1-CB 3.35Å; H25-M27 PolarHBondContact ND1-N 2.95Å; H25-M27 PolarHBondContact O-N 3.48Å; H25-M27 VanDerWaalsContact O-N 3.16Å; H25-Y28 WeakPolarHBondContact O-CB 3.49Å; H25-Y28 PolarHBondContact O-N 3.37Å; H25-Q29 PolarHBondContact O-N 3.07Å; H25-F46 HydrophobicContact CB-CE2 4.12Å; H25-F46 HydrophobicContact CB-CZ 3.82Å; H25-F46 AromaticContact CD2-CZ 3.86Å; H25-F46 AromaticContact CE1-CE2 3.74Å; H25-F46 AromaticContact CG-CE2 3.6Å; H25-F46 AromaticContact CG-CZ 3.53Å; H25-F46 AromaticContact ND1-CE2 3.33Å; H25-F46 VanDerWaalsContact ND1-CE2 3.33Å; H25-F46 WeakPolarHBondContact ND1-CE2 3.36Å; H25-F46 AromaticContact ND1-CZ 3.78Å; H25-Y49 AromaticContact CE1-CE1 3.92Å | ||
| 26 | P | 95.1 | Very high | 85.8 | Confident | 95 Ų | 95 | 83.9 Ų | 83.9 | 62% | 0.617 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -55.8 | -39.7 | -175.1 | -27.3 | 34.1 | 0 | 0 | 0 | 112.9 | Q29 H30 | P26-Q29 PolarHBondContact O-N 3.26Å; P26-H30 WeakPolarHBondContact O-CB 3.48Å; P26-H30 PolarHBondContact O-N 3.47Å |
| 27 | M | 96 | Very high | 86.3 | Confident | 35 Ų | 35 | 82.4 Ų | 82.4 | 17% | 0.172 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 176.1 | -169.8 | 49.4 | 38.1 | 0 | 0 | 112.9 | H25 Q29 H30 L31 F46 Y49 | H25-M27 VanDerWaalsContact CE1-CB 3.46Å; H25-M27 WeakPolarHBondContact CE1-CB 3.44Å; H25-M27 WeakPolarHBondContact ND1-CB 3.35Å; H25-M27 PolarHBondContact ND1-N 2.95Å; H25-M27 PolarHBondContact O-N 3.48Å; H25-M27 VanDerWaalsContact O-N 3.16Å; M27-Q29 VanDerWaalsContact C-N 3.3Å; M27-Q29 PolarHBondContact O-N 2.9Å; M27-H30 HydrophobicContact CE-CB 4.2Å; M27-H30 WeakPolarHBondContact O-CB 3.42Å; M27-H30 PolarHBondContact O-N 3.06Å; M27-H30 HydrophobicContact SD-CB 4.17Å; M27-L31 HydrophobicContact CG-CG 4.41Å; M27-L31 VanDerWaalsContact O-CG 3.28Å; M27-L31 WeakPolarHBondContact O-CG 3.33Å; M27-L31 PolarHBondContact O-N 2.76Å; M27-L31 HydrophobicContact SD-CD2 4.06Å; M27-L31 HydrophobicContact SD-CG 4.31Å; M27-F46 HydrophobicContact CB-CE2 4.45Å; M27-Y49 HydrophobicContact CB-CD1 4.33Å; M27-Y49 HydrophobicContact CB-CE1 4.01Å; M27-Y49 HydrophobicContact CB-CE2 4.43Å; M27-Y49 HydrophobicContact CG-CD1 3.94Å; M27-Y49 HydrophobicContact CG-CD2 3.74Å; M27-Y49 HydrophobicContact CG-CE1 3.95Å; M27-Y49 HydrophobicContact CG-CE2 3.72Å; M27-Y49 HydrophobicContact CG-CG 3.86Å; M27-Y49 HydrophobicContact SD-CE2 4.43Å |
| 28 | Y | 95.4 | Very high | 87.6 | Confident | 22 Ų | 22 | 76.6 Ų | 76.6 | 9% | 0.086 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 177.1 | -174.7 | -96.3 | 0 | 0 | 0 | 111.4 | I22 L23 H25 L31 M32 V42 F46 | I22-Y28 HydrophobicContact CG2-CD1 4.24Å; I22-Y28 HydrophobicContact CG2-CD2 3.56Å; I22-Y28 HydrophobicContact CG2-CE1 4.33Å; I22-Y28 HydrophobicContact CG2-CE2 3.65Å; I22-Y28 HydrophobicContact CG2-CG 3.85Å; I22-Y28 WeakPolarHBondContact O-CB 3.44Å; I22-Y28 WeakPolarHBondContact O-CD1 3.26Å; I22-Y28 VanDerWaalsContact O-CG 3.3Å; L23-Y28 HydrophobicContact CD2-CD1 4.26Å; L23-Y28 HydrophobicContact CD2-CE1 3.45Å; L23-Y28 VanDerWaalsContact CD2-CE1 3.45Å; H25-Y28 WeakPolarHBondContact O-CB 3.49Å; H25-Y28 PolarHBondContact O-N 3.37Å; Y28-L31 PolarHBondContact O-N 3.39Å; Y28-M32 HydrophobicContact CD1-CG 4.21Å; Y28-M32 HydrophobicContact CE1-CE 3.62Å; Y28-M32 HydrophobicContact CE1-CG 3.93Å; Y28-M32 HydrophobicContact CE2-CE 4.15Å; Y28-M32 WeakPolarHBondContact O-CG 3.43Å; Y28-M32 PolarHBondContact O-N 3.07Å; Y28-M32 WeakPolarHBondContact OH-CE 3.44Å; Y28-V42 HydrophobicContact CD2-CG1 4.43Å; Y28-V42 HydrophobicContact CE2-CG1 4.13Å; Y28-F46 HydrophobicContact CD2-CB 3.67Å; Y28-F46 AromaticContact CD2-CD1 3.88Å; Y28-F46 HydrophobicContact CD2-CD1 3.88Å; Y28-F46 HydrophobicContact CD2-CD2 4.22Å; Y28-F46 AromaticContact CD2-CG 3.64Å; Y28-F46 HydrophobicContact CD2-CG 3.64Å; Y28-F46 HydrophobicContact CE2-CB 4.28Å; Y28-F46 HydrophobicContact CG-CG 4.42Å |
| 29 | Q | 94.6 | Very high | 89.1 | Confident | 96 Ų | 96 | 75.6 Ų | 75.6 | 45% | 0.449 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -62.7 | -43.6 | 173.8 | -65.5 | -178.9 | -25.8 | 0 | 0 | 111.7 | L23 H25 P26 M27 L31 M32 N33 | L23-Q29 WeakPolarHBondContact O-CG 3.49Å; L23-Q29 PolarHBondContact O-NE2 2.99Å; H25-Q29 PolarHBondContact O-N 3.07Å; P26-Q29 PolarHBondContact O-N 3.26Å; M27-Q29 VanDerWaalsContact C-N 3.3Å; M27-Q29 PolarHBondContact O-N 2.9Å; Q29-L31 PolarHBondContact O-N 3.33Å; Q29-M32 PolarHBondContact O-N 3.48Å; Q29-N33 PolarHBondContact O-N 3.07Å; Q29-N33 PolarHBondContact O-ND2 3.44Å |
| 30 | H | 95.7 | Very high | 90.2 | Very high | 75 Ų | 75 | 73 Ų | 73 | 35% | 0.347 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.1 | -49 | 173.3 | 176.7 | 70 | 0 | 0 | 0 | 111.6 | P26 M27 M32 N33 L34 G63 | P26-H30 WeakPolarHBondContact O-CB 3.48Å; P26-H30 PolarHBondContact O-N 3.47Å; M27-H30 HydrophobicContact CE-CB 4.2Å; M27-H30 WeakPolarHBondContact O-CB 3.42Å; M27-H30 PolarHBondContact O-N 3.06Å; M27-H30 HydrophobicContact SD-CB 4.17Å; H30-M32 VanDerWaalsContact C-N 3.33Å; H30-M32 PolarHBondContact O-N 2.98Å; H30-N33 PolarHBondContact O-N 3.06Å; H30-N33 VanDerWaalsContact O-N 3.08Å; H30-L34 PolarHBondContact O-N 2.85Å; H30-G63 PolarHBondContact NE2-O 3.39Å; H30-G63 VanDerWaalsContact NE2-O 3.09Å |
| 31 | L | 95.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62 | -38.9 | 179.1 | -62.2 | -170.9 | 0 | 0 | 0 | 112.6 | M27 Y28 Q29 N33 L34 V42 A45 F46 V72 L74 | M27-L31 HydrophobicContact CG-CG 4.41Å; M27-L31 VanDerWaalsContact O-CG 3.28Å; M27-L31 WeakPolarHBondContact O-CG 3.33Å; M27-L31 PolarHBondContact O-N 2.76Å; M27-L31 HydrophobicContact SD-CD2 4.06Å; M27-L31 HydrophobicContact SD-CG 4.31Å; Y28-L31 PolarHBondContact O-N 3.39Å; Q29-L31 PolarHBondContact O-N 3.33Å; L31-N33 VanDerWaalsContact C-N 3.28Å; L31-N33 PolarHBondContact O-N 2.77Å; L31-L34 HydrophobicContact CD2-CD1 4.04Å; L31-L34 WeakPolarHBondContact O-CB 3.49Å; L31-L34 PolarHBondContact O-N 2.79Å; L31-V42 HydrophobicContact CB-CG1 3.73Å; L31-A45 HydrophobicContact CD1-CB 3.89Å; L31-F46 HydrophobicContact CD1-CB 4.16Å; L31-V72 HydrophobicContact CD2-CG1 3.77Å; L31-L74 HydrophobicContact CD2-CD2 4.29Å |
| 32 | M | 93.5 | Very high | 90.9 | Very high | 70 Ų | 70 | 60.7 Ų | 60.7 | 35% | 0.345 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.9 | -34.7 | 174.5 | -78.4 | -65.3 | 179.7 | 0 | 0 | 112.5 | Y28 Q29 H30 L34 V42 | Y28-M32 HydrophobicContact CD1-CG 4.21Å; Y28-M32 HydrophobicContact CE1-CE 3.62Å; Y28-M32 HydrophobicContact CE1-CG 3.93Å; Y28-M32 HydrophobicContact CE2-CE 4.15Å; Y28-M32 WeakPolarHBondContact O-CG 3.43Å; Y28-M32 PolarHBondContact O-N 3.07Å; Y28-M32 WeakPolarHBondContact OH-CE 3.44Å; Q29-M32 PolarHBondContact O-N 3.48Å; H30-M32 VanDerWaalsContact C-N 3.33Å; H30-M32 PolarHBondContact O-N 2.98Å; M32-L34 PolarHBondContact O-N 3.28Å; M32-V42 HydrophobicContact CE-CB 3.87Å; M32-V42 HydrophobicContact CE-CG1 3.62Å; M32-V42 HydrophobicContact CG-CG1 3.82Å; M32-V42 HydrophobicContact SD-CB 4.01Å; M32-V42 HydrophobicContact SD-CG1 3.69Å; M32-V42 HydrophobicContact SD-CG2 4.08Å |
| 33 | N | 94.3 | Very high | 91.2 | Very high | 131 Ų | 131 | 62.4 Ų | 62.4 | 70% | 0.701 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -6 | -179.2 | -66.4 | -22.5 | 0 | 0 | 0 | 113.9 | Q29 H30 L31 D35 | Q29-N33 PolarHBondContact O-N 3.07Å; Q29-N33 PolarHBondContact O-ND2 3.44Å; H30-N33 PolarHBondContact O-N 3.06Å; H30-N33 VanDerWaalsContact O-N 3.08Å; L31-N33 VanDerWaalsContact C-N 3.28Å; L31-N33 PolarHBondContact O-N 2.77Å; N33-D35 PolarHBondContact O-N 3.16Å |
| 34 | L | 92 | Very high | 91.5 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | 0.6 | 174.1 | -63.3 | 172 | 0 | 0 | 0 | 113.2 | H30 L31 M32 V36 V72 | H30-L34 PolarHBondContact O-N 2.85Å; L31-L34 HydrophobicContact CD2-CD1 4.04Å; L31-L34 WeakPolarHBondContact O-CB 3.49Å; L31-L34 PolarHBondContact O-N 2.79Å; M32-L34 PolarHBondContact O-N 3.28Å; L34-V36 HydrophobicContact CB-CG2 3.87Å; L34-V36 WeakPolarHBondContact O-CG2 3.41Å; L34-V36 PolarHBondContact O-N 2.8Å; L34-V72 HydrophobicContact CB-CG2 4.42Å; L34-V72 HydrophobicContact CD1-CG1 4.02Å; L34-V72 HydrophobicContact CD1-CG2 4.1Å |
| 35 | D | 78.3 | Confident | 91.7 | Very high | 150 Ų | 150 | 52.5 Ų | 52.5 | 80% | 0.802 | 30% | 0.304 | S | S | * | . | trans | 53.3 | 45 | 172 | -161.9 | 31.1 | 0 | 0 | 0 | 114.9 | N33 | N33-D35 PolarHBondContact O-N 3.16Š| ||
| 36 | V | 78.6 | Confident | 91.9 | Very high | 22 Ų | 22 | 50.2 Ų | 50.2 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | trans | -91.3 | -9.9 | -175.1 | -164.6 | 0 | 0 | 0 | 0 | 113.1 | L34 D38 R70 V72 | L34-V36 HydrophobicContact CB-CG2 3.87Å; L34-V36 WeakPolarHBondContact O-CG2 3.41Å; L34-V36 PolarHBondContact O-N 2.8Å; V36-D38 VanDerWaalsContact C-N 3.28Å; V36-D38 PolarHBondContact O-N 2.87Å; V36-R70 WeakPolarHBondContact CG1-O 3.39Å; V36-V72 HydrophobicContact CB-CG2 4.14Å; V36-V72 HydrophobicContact CG2-CG2 3.51Å | ||
| 37 | G | 71.6 | Confident | 92 | Very high | 80 Ų | 80 | 47.1 Ų | 47.1 | 83% | 0.825 | 27% | 0.271 | S | S | * | . | S | Bend | trans | 72.6 | 4.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||
| 38 | D | 87.8 | Confident | 92.1 | Very high | 38 Ų | 38 | 45.5 Ų | 45.5 | 20% | 0.203 | 26% | 0.263 | C | S | . | . | trans | -123.4 | 101.5 | 175.8 | -176.9 | -10.3 | 0 | 0 | 0 | 111 | V36 A40 Q41 V42 R94 | V36-D38 VanDerWaalsContact C-N 3.28Å; V36-D38 PolarHBondContact O-N 2.87Å; D38-A40 VanDerWaalsContact C-N 3.32Å; D38-A40 PolarHBondContact O-N 3.39Å; D38-A40 WeakPolarHBondContact OD1-CB 3.38Å; D38-A40 PolarHBondContact OD1-N 3.41Å; D38-Q41 HydrophobicContact CB-CB 4.01Å; D38-Q41 PolarHBondContact O-N 3.22Å; D38-Q41 PolarHBondContact OD1-N 2.77Å; D38-V42 WeakPolarHBondContact O-CG2 3.49Å; D38-V42 PolarHBondContact O-N 3.44Å; D38-R94 VanDerWaalsContact CB-NH1 3.29Å; D38-R94 WeakPolarHBondContact OD2-CD 3.41Å; D38-R94 IonicContact OD2-CZ 3.86Å; D38-R94 IonicContact OD2-NE 2.64Å; D38-R94 IonicContact OD2-NH1 3.61Å; D38-R94 PolarHBondContact OD2-NH1 3.09Å | ||
| 39 | S | 90.8 | Very high | 92.3 | Very high | 83 Ų | 83 | 46.2 Ų | 46.2 | 58% | 0.58 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -65.6 | -32.7 | -179.9 | 58.3 | 0 | 0 | 0 | 0 | 113.3 | Q41 V42 H43 | S39-Q41 VanDerWaalsContact C-N 3.3Å; S39-V42 PolarHBondContact O-N 2.87Å; S39-H43 WeakPolarHBondContact O-CB 3.21Å; S39-H43 PolarHBondContact O-N 3.23Å |
| 40 | A | 92.6 | Very high | 92.4 | Very high | 33 Ų | 33 | 43.5 Ų | 43.5 | 27% | 0.273 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -68.1 | -36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | D38 A44 H93 | D38-A40 VanDerWaalsContact C-N 3.32Å; D38-A40 PolarHBondContact O-N 3.39Å; D38-A40 WeakPolarHBondContact OD1-CB 3.38Å; D38-A40 PolarHBondContact OD1-N 3.41Å; A40-A44 WeakPolarHBondContact O-CB 3.47Å; A40-A44 PolarHBondContact O-N 3.33Å; A40-H93 WeakPolarHBondContact CB-NE2 3.41Å |
| 41 | Q | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.8 | -36.4 | 174.3 | -165.4 | -94.7 | -18.8 | 0 | 0 | 113.5 | D38 S39 H43 A44 A45 L71 V72 P89 P91 | D38-Q41 HydrophobicContact CB-CB 4.01Å; D38-Q41 PolarHBondContact O-N 3.22Å; D38-Q41 PolarHBondContact OD1-N 2.77Å; S39-Q41 VanDerWaalsContact C-N 3.3Å; Q41-H43 VanDerWaalsContact C-N 3.3Å; Q41-H43 PolarHBondContact O-N 3.41Å; Q41-A44 PolarHBondContact O-N 3.43Å; Q41-A45 WeakPolarHBondContact O-CB 3.35Å; Q41-A45 PolarHBondContact O-N 2.89Å; Q41-L71 HydrophobicContact CB-CD2 3.95Å; Q41-L71 VanDerWaalsContact CD-CD2 3.42Å; Q41-L71 HydrophobicContact CG-CD2 3.35Å; Q41-V72 PolarHBondContact NE2-O 2.82Å; Q41-P89 PolarHBondContact NE2-O 3.1Å; Q41-P89 VanDerWaalsContact NE2-O 3.08Å; Q41-P91 HydrophobicContact CB-CG 4.27Å; Q41-P91 HydrophobicContact CG-CG 4.41Å |
| 42 | V | 95.7 | Very high | 92.6 | Very high | 5 Ų | 5 | 41.3 Ų | 41.3 | 3% | 0.03 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.5 | -42.2 | 172.2 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | Y28 L31 M32 D38 S39 A45 F46 V72 | Y28-V42 HydrophobicContact CD2-CG1 4.43Å; Y28-V42 HydrophobicContact CE2-CG1 4.13Å; L31-V42 HydrophobicContact CB-CG1 3.73Å; M32-V42 HydrophobicContact CE-CB 3.87Å; M32-V42 HydrophobicContact CE-CG1 3.62Å; M32-V42 HydrophobicContact CG-CG1 3.82Å; M32-V42 HydrophobicContact SD-CB 4.01Å; M32-V42 HydrophobicContact SD-CG1 3.69Å; M32-V42 HydrophobicContact SD-CG2 4.08Å; D38-V42 WeakPolarHBondContact O-CG2 3.49Å; D38-V42 PolarHBondContact O-N 3.44Å; S39-V42 PolarHBondContact O-N 2.87Å; V42-A45 PolarHBondContact O-N 3.11Å; V42-F46 PolarHBondContact O-N 2.81Å; V42-V72 HydrophobicContact CG2-CG2 4.13Å |
| 43 | H | 95.4 | Very high | 92.8 | Very high | 69 Ų | 69 | 38.8 Ų | 38.8 | 32% | 0.319 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.1 | -46 | 173.7 | -175.9 | -92.9 | 0 | 0 | 0 | 111.9 | S39 Q41 A45 F46 L47 | S39-H43 WeakPolarHBondContact O-CB 3.21Å; S39-H43 PolarHBondContact O-N 3.23Å; Q41-H43 VanDerWaalsContact C-N 3.3Å; Q41-H43 PolarHBondContact O-N 3.41Å; H43-A45 VanDerWaalsContact C-N 3.35Å; H43-A45 PolarHBondContact O-N 2.84Å; H43-F46 PolarHBondContact O-N 2.87Å; H43-L47 WeakPolarHBondContact O-CG 3.37Å; H43-L47 PolarHBondContact O-N 3.43Å |
| 44 | A | 97 | Very high | 92.9 | Very high | 3 Ų | 3 | 38.2 Ų | 38.2 | 3% | 0.025 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59 | -44.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112 | A40 Q41 F46 L47 V48 P91 V116 | A40-A44 WeakPolarHBondContact O-CB 3.47Å; A40-A44 PolarHBondContact O-N 3.33Å; Q41-A44 PolarHBondContact O-N 3.43Å; A44-F46 VanDerWaalsContact C-N 3.29Å; A44-F46 PolarHBondContact O-N 2.79Å; A44-L47 PolarHBondContact O-N 2.89Å; A44-V48 WeakPolarHBondContact O-CG2 3.38Å; A44-V48 PolarHBondContact O-N 2.76Å; A44-V48 VanDerWaalsContact O-N 3.07Å; A44-P91 HydrophobicContact CB-CB 4.05Å; A44-P91 HydrophobicContact CB-CG 4.26Å; A44-V116 HydrophobicContact CB-CB 3.96Å; A44-V116 HydrophobicContact CB-CG1 4.14Å; A44-V116 HydrophobicContact CB-CG2 3.87Å |
| 45 | A | 97.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.3 | -37.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L31 Q41 V42 H43 V48 Y49 V72 P89 | L31-A45 HydrophobicContact CD1-CB 3.89Å; Q41-A45 WeakPolarHBondContact O-CB 3.35Å; Q41-A45 PolarHBondContact O-N 2.89Å; V42-A45 PolarHBondContact O-N 3.11Å; H43-A45 VanDerWaalsContact C-N 3.35Å; H43-A45 PolarHBondContact O-N 2.84Å; A45-V48 PolarHBondContact O-N 2.76Å; A45-Y49 WeakPolarHBondContact O-CB 3.24Å; A45-Y49 PolarHBondContact O-N 3.2Å; A45-V72 HydrophobicContact CB-CB 4.16Å; A45-V72 HydrophobicContact CB-CG1 3.88Å; A45-P89 HydrophobicContact CB-CB 3.94Å; A45-P89 HydrophobicContact CB-CG 3.74Å |
| 46 | F | 97.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.1 | -41 | 175.9 | -177.4 | -115.1 | 0 | 0 | 0 | 113.2 | W21 I22 H25 M27 Y28 L31 V42 H43 A44 V48 Y49 L50 | W21-F46 HydrophobicContact CH2-CE1 4.01Å; W21-F46 HydrophobicContact CH2-CZ 4.4Å; W21-F46 AromaticContact CZ3-CE1 3.88Å; W21-F46 HydrophobicContact CZ3-CE1 3.88Å; W21-F46 AromaticContact CZ3-CZ 3.9Å; W21-F46 HydrophobicContact CZ3-CZ 3.9Å; I22-F46 HydrophobicContact CB-CE1 4.28Å; I22-F46 HydrophobicContact CG1-CE1 4.06Å; I22-F46 HydrophobicContact CG2-CD1 3.76Å; I22-F46 HydrophobicContact CG2-CE1 3.75Å; H25-F46 HydrophobicContact CB-CE2 4.12Å; H25-F46 HydrophobicContact CB-CZ 3.82Å; H25-F46 AromaticContact CD2-CZ 3.86Å; H25-F46 AromaticContact CE1-CE2 3.74Å; H25-F46 AromaticContact CG-CE2 3.6Å; H25-F46 AromaticContact CG-CZ 3.53Å; H25-F46 AromaticContact ND1-CE2 3.33Å; H25-F46 VanDerWaalsContact ND1-CE2 3.33Å; H25-F46 WeakPolarHBondContact ND1-CE2 3.36Å; H25-F46 AromaticContact ND1-CZ 3.78Å; M27-F46 HydrophobicContact CB-CE2 4.45Å; Y28-F46 HydrophobicContact CD2-CB 3.67Å; Y28-F46 AromaticContact CD2-CD1 3.88Å; Y28-F46 HydrophobicContact CD2-CD1 3.88Å; Y28-F46 HydrophobicContact CD2-CD2 4.22Å; Y28-F46 AromaticContact CD2-CG 3.64Å; Y28-F46 HydrophobicContact CD2-CG 3.64Å; Y28-F46 HydrophobicContact CE2-CB 4.28Å; Y28-F46 HydrophobicContact CG-CG 4.42Å; L31-F46 HydrophobicContact CD1-CB 4.16Å; V42-F46 PolarHBondContact O-N 2.81Å; H43-F46 PolarHBondContact O-N 2.87Å; A44-F46 VanDerWaalsContact C-N 3.29Å; A44-F46 PolarHBondContact O-N 2.79Å; F46-V48 VanDerWaalsContact C-N 3.3Å; F46-V48 PolarHBondContact O-N 3.43Å; F46-Y49 HydrophobicContact CD2-CD1 4.2Å; F46-Y49 HydrophobicContact CE2-CD1 4.07Å; F46-Y49 WeakPolarHBondContact O-CB 3.25Å; F46-Y49 PolarHBondContact O-N 2.58Å; F46-L50 HydrophobicContact CD1-CD1 4.21Å; F46-L50 HydrophobicContact CE1-CD1 3.67Å; F46-L50 HydrophobicContact CE1-CG 4.2Å; F46-L50 HydrophobicContact CE2-CD2 4.26Å; F46-L50 HydrophobicContact CE2-CG 4.26Å; F46-L50 HydrophobicContact CZ-CD1 3.89Å; F46-L50 HydrophobicContact CZ-CD2 3.97Å; F46-L50 HydrophobicContact CZ-CG 3.99Å; F46-L50 WeakPolarHBondContact O-CG 3.35Å; F46-L50 PolarHBondContact O-N 2.86Å |
| 47 | L | 97.6 | Very high | 94.8 | Very high | 30 Ų | 30 | 43.8 Ų | 43.8 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.1 | -41.6 | 174.3 | -66.1 | -179.9 | 0 | 0 | 0 | 111.7 | H43 A44 L50 D51 V116 | H43-L47 WeakPolarHBondContact O-CG 3.37Å; H43-L47 PolarHBondContact O-N 3.43Å; A44-L47 PolarHBondContact O-N 2.89Å; L47-L50 PolarHBondContact O-N 2.81Å; L47-D51 PolarHBondContact O-N 3.25Å; L47-D51 VanDerWaalsContact O-N 3.12Å; L47-V116 HydrophobicContact CD1-CG1 3.92Å |
| 48 | V | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 175.6 | 179.7 | 0 | 0 | 0 | 0 | 111 | A44 A45 F46 L50 D51 L52 L74 V87 P89 C114 V116 L122 Y124 | A44-V48 WeakPolarHBondContact O-CG2 3.38Å; A44-V48 PolarHBondContact O-N 2.76Å; A44-V48 VanDerWaalsContact O-N 3.07Å; A45-V48 PolarHBondContact O-N 2.76Å; F46-V48 VanDerWaalsContact C-N 3.3Å; F46-V48 PolarHBondContact O-N 3.43Å; V48-L50 VanDerWaalsContact C-N 3.32Å; V48-L50 PolarHBondContact O-N 3.01Å; V48-D51 PolarHBondContact O-N 2.83Å; V48-L52 HydrophobicContact CG1-CD1 3.8Å; V48-L52 HydrophobicContact CG1-CG 4.07Å; V48-L52 WeakPolarHBondContact O-CB 3.09Å; V48-L52 VanDerWaalsContact O-CG 3.24Å; V48-L52 WeakPolarHBondContact O-CG 3.23Å; V48-L52 PolarHBondContact O-N 2.85Å; V48-L74 HydrophobicContact CB-CD1 3.87Å; V48-L74 HydrophobicContact CG1-CD1 3.67Å; V48-V87 HydrophobicContact CG1-CG1 3.96Å; V48-P89 HydrophobicContact CB-CB 4.32Å; V48-P89 HydrophobicContact CB-CG 4.24Å; V48-P89 HydrophobicContact CG1-CG 4.43Å; V48-P89 HydrophobicContact CG2-CB 3.9Å; V48-P89 HydrophobicContact CG2-CG 4.33Å; V48-C114 HydrophobicContact CG1-CB 4.08Å; V48-C114 HydrophobicContact CG2-CB 3.9Å; V48-C114 WeakPolarHBondContact CG2-SG 3.38Å; V48-V116 HydrophobicContact CG2-CG2 3.61Å; V48-L122 HydrophobicContact CG2-CD2 4.02Å; V48-Y124 HydrophobicContact CG1-CE1 4.24Å |
| 49 | Y | 98.2 | Very high | 96.4 | Very high | 37 Ų | 37 | 43.5 Ų | 43.5 | 15% | 0.145 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.9 | -46.3 | 174.2 | 165.4 | -90.2 | 0 | 0 | 0 | 111.6 | H25 M27 A45 F46 D51 L52 A53 V61 | H25-Y49 AromaticContact CE1-CE1 3.92Å; M27-Y49 HydrophobicContact CB-CD1 4.33Å; M27-Y49 HydrophobicContact CB-CE1 4.01Å; M27-Y49 HydrophobicContact CB-CE2 4.43Å; M27-Y49 HydrophobicContact CG-CD1 3.94Å; M27-Y49 HydrophobicContact CG-CD2 3.74Å; M27-Y49 HydrophobicContact CG-CE1 3.95Å; M27-Y49 HydrophobicContact CG-CE2 3.72Å; M27-Y49 HydrophobicContact CG-CG 3.86Å; M27-Y49 HydrophobicContact SD-CE2 4.43Å; A45-Y49 WeakPolarHBondContact O-CB 3.24Å; A45-Y49 PolarHBondContact O-N 3.2Å; F46-Y49 HydrophobicContact CD2-CD1 4.2Å; F46-Y49 HydrophobicContact CE2-CD1 4.07Å; F46-Y49 WeakPolarHBondContact O-CB 3.25Å; F46-Y49 PolarHBondContact O-N 2.58Å; Y49-D51 PolarHBondContact O-N 2.95Å; Y49-L52 PolarHBondContact O-N 2.8Å; Y49-A53 HydrophobicContact CE1-CB 4.42Å; Y49-A53 HydrophobicContact CE2-CB 4.3Å; Y49-A53 VanDerWaalsContact O-CB 3.26Å; Y49-A53 WeakPolarHBondContact O-CB 3.43Å; Y49-A53 PolarHBondContact O-N 2.82Å; Y49-V61 HydrophobicContact CD2-CB 4.07Å; Y49-V61 HydrophobicContact CD2-CG1 3.65Å; Y49-V61 HydrophobicContact CE2-CB 4.06Å; Y49-V61 HydrophobicContact CE2-CG1 4.16Å |
| 50 | L | 97.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 46 Ų | 46 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 178.5 | -68.8 | 174.8 | 0 | 0 | 0 | 111.9 | W21 F46 L47 V48 E54 | W21-L50 HydrophobicContact CH2-CD1 3.98Å; F46-L50 HydrophobicContact CD1-CD1 4.21Å; F46-L50 HydrophobicContact CE1-CD1 3.67Å; F46-L50 HydrophobicContact CE1-CG 4.2Å; F46-L50 HydrophobicContact CE2-CD2 4.26Å; F46-L50 HydrophobicContact CE2-CG 4.26Å; F46-L50 HydrophobicContact CZ-CD1 3.89Å; F46-L50 HydrophobicContact CZ-CD2 3.97Å; F46-L50 HydrophobicContact CZ-CG 3.99Å; F46-L50 WeakPolarHBondContact O-CG 3.35Å; F46-L50 PolarHBondContact O-N 2.86Å; L47-L50 PolarHBondContact O-N 2.81Å; V48-L50 VanDerWaalsContact C-N 3.32Å; V48-L50 PolarHBondContact O-N 3.01Å; L50-E54 HydrophobicContact CD2-CG 4.48Å; L50-E54 WeakPolarHBondContact O-CA 3.22Å; L50-E54 WeakPolarHBondContact O-CB 3.49Å; L50-E54 PolarHBondContact O-N 2.64Å |
| 51 | D | 98.2 | Very high | 96.8 | Very high | 29 Ų | 29 | 45.3 Ų | 45.3 | 16% | 0.155 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -64.3 | -44.2 | 176.9 | -177.6 | 70.4 | 0 | 0 | 0 | 111.9 | L47 V48 Y49 V55 R56 L122 Y124 | L47-D51 PolarHBondContact O-N 3.25Å; L47-D51 VanDerWaalsContact O-N 3.12Å; V48-D51 PolarHBondContact O-N 2.83Å; Y49-D51 PolarHBondContact O-N 2.95Å; D51-V55 WeakPolarHBondContact O-CA 3.49Å; D51-V55 WeakPolarHBondContact O-CB 3.18Å; D51-V55 PolarHBondContact O-N 2.79Å; D51-V55 VanDerWaalsContact O-N 3.14Å; D51-R56 PolarHBondContact O-N 3.17Å; D51-R56 WeakPolarHBondContact OD2-CD 3.37Å; D51-R56 IonicContact OD2-CZ 3.88Å; D51-R56 IonicContact OD2-NE 2.82Å; D51-R56 PolarHBondContact OD2-NE 2.77Å; D51-L122 HydrophobicContact CB-CD1 3.32Å; D51-Y124 WeakPolarHBondContact OD2-CE2 3.26Å; D51-Y124 VanDerWaalsContact OD2-CZ 3.23Å; D51-Y124 PolarHBondContact OD2-OH 3.38Å |
| 52 | L | 97.9 | Very high | 96.9 | Very high | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -63.9 | -48.9 | 178.6 | -67.3 | 175 | 0 | 0 | 0 | 111.5 | V48 Y49 R56 Q57 W58 V61 L74 V87 Y124 | V48-L52 HydrophobicContact CG1-CD1 3.8Å; V48-L52 HydrophobicContact CG1-CG 4.07Å; V48-L52 WeakPolarHBondContact O-CB 3.09Å; V48-L52 VanDerWaalsContact O-CG 3.24Å; V48-L52 WeakPolarHBondContact O-CG 3.23Å; V48-L52 PolarHBondContact O-N 2.85Å; Y49-L52 PolarHBondContact O-N 2.8Å; L52-R56 CarbonylContact O-C 3.53Å; L52-Q57 PolarHBondContact O-N 2.87Å; L52-W58 HydrophobicContact CB-CB 4.32Å; L52-W58 HydrophobicContact CB-CD2 4.49Å; L52-W58 HydrophobicContact CB-CG 4.28Å; L52-W58 HydrophobicContact CD2-CD2 3.82Å; L52-W58 HydrophobicContact CD2-CE3 4.13Å; L52-W58 HydrophobicContact CD2-CG 4.26Å; L52-W58 HydrophobicContact CD2-CH2 4.45Å; L52-W58 HydrophobicContact CD2-CZ2 4.15Å; L52-W58 HydrophobicContact CD2-CZ3 4.43Å; L52-W58 WeakPolarHBondContact O-CB 3.27Å; L52-W58 PolarHBondContact O-N 2.86Å; L52-V61 HydrophobicContact CB-CG1 4.32Å; L52-V61 HydrophobicContact CB-CG2 4.25Å; L52-V61 HydrophobicContact CD1-CG1 4.23Å; L52-L74 HydrophobicContact CD1-CD1 3.9Å; L52-V87 HydrophobicContact CD1-CB 4.36Å; L52-V87 HydrophobicContact CD1-CG1 4.44Å; L52-V87 HydrophobicContact CD1-CG2 3.95Å; L52-Y124 HydrophobicContact CD2-CE1 4.11Å |
| 53 | A | 96.9 | Very high | 96.9 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 13% | 0.132 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -77 | -46.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y49 Q57 V61 | Y49-A53 HydrophobicContact CE1-CB 4.42Å; Y49-A53 HydrophobicContact CE2-CB 4.3Å; Y49-A53 VanDerWaalsContact O-CB 3.26Å; Y49-A53 WeakPolarHBondContact O-CB 3.43Å; Y49-A53 PolarHBondContact O-N 2.82Å; A53-Q57 WeakPolarHBondContact O-CA 3.42Å; A53-Q57 PolarHBondContact O-NE2 2.87Å; A53-V61 HydrophobicContact CB-CG2 4.49Å |
| 54 | E | 95.9 | Very high | 96.9 | Very high | 120 Ų | 120 | 45.3 Ų | 45.3 | 56% | 0.561 | 22% | 0.224 | S | C | * | . | I | π-helix | trans | -93.8 | -41.6 | -170.8 | -56.9 | -60.6 | 151.7 | 0 | 0 | 112.7 | L50 Q57 | L50-E54 HydrophobicContact CD2-CG 4.48Å; L50-E54 WeakPolarHBondContact O-CA 3.22Å; L50-E54 WeakPolarHBondContact O-CB 3.49Å; L50-E54 PolarHBondContact O-N 2.64Å; E54-Q57 PolarHBondContact O-NE2 3.08Å |
| 55 | V | 96.4 | Very high | 96.8 | Very high | 108 Ų | 108 | 47.4 Ų | 47.4 | 66% | 0.655 | 25% | 0.246 | S | C | * | . | I | π-helix | trans | -87.1 | -50 | -176.1 | -176.8 | 0 | 0 | 0 | 0 | 110.7 | D51 | D51-V55 WeakPolarHBondContact O-CA 3.49Å; D51-V55 WeakPolarHBondContact O-CB 3.18Å; D51-V55 PolarHBondContact O-N 2.79Å; D51-V55 VanDerWaalsContact O-N 3.14Å |
| 56 | R | 95.6 | Very high | 96.5 | Very high | 127 Ų | 127 | 47.8 Ų | 47.8 | 48% | 0.479 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -90.3 | -8.8 | -177 | -62.4 | 172.8 | 178.5 | -87.1 | -5.5 | 113.4 | D51 L52 W58 Y124 | D51-R56 PolarHBondContact O-N 3.17Å; D51-R56 WeakPolarHBondContact OD2-CD 3.37Å; D51-R56 IonicContact OD2-CZ 3.88Å; D51-R56 IonicContact OD2-NE 2.82Å; D51-R56 PolarHBondContact OD2-NE 2.77Å; L52-R56 CarbonylContact O-C 3.53Å; R56-W58 PolarHBondContact O-N 3.26Å; R56-Y124 VanDerWaalsContact NH2-CD2 3.29Å |
| 57 | Q | 96.6 | Very high | 96.1 | Very high | 101 Ų | 101 | 52.2 Ų | 52.2 | 47% | 0.472 | 28% | 0.28 | S | S | . | . | trans | 58.9 | 31.4 | 174.6 | -65.7 | -70.5 | -44.9 | 0 | 0 | 114.2 | L52 A53 E54 K59 | L52-Q57 PolarHBondContact O-N 2.87Å; A53-Q57 WeakPolarHBondContact O-CA 3.42Å; A53-Q57 PolarHBondContact O-NE2 2.87Å; E54-Q57 PolarHBondContact O-NE2 3.08Å; Q57-K59 WeakPolarHBondContact O-CE 3.25Å | ||
| 58 | W | 97.2 | Very high | 95.6 | Very high | 18 Ų | 18 | 55.4 Ų | 55.4 | 7% | 0.068 | 29% | 0.294 | C | S | . | . | trans | -59.9 | 149.4 | 172.4 | -76.7 | 35.1 | 0 | 0 | 0 | 110.5 | L52 R56 V61 R77 E78 Q85 V87 L112 | L52-W58 HydrophobicContact CB-CB 4.32Å; L52-W58 HydrophobicContact CB-CD2 4.49Å; L52-W58 HydrophobicContact CB-CG 4.28Å; L52-W58 HydrophobicContact CD2-CD2 3.82Å; L52-W58 HydrophobicContact CD2-CE3 4.13Å; L52-W58 HydrophobicContact CD2-CG 4.26Å; L52-W58 HydrophobicContact CD2-CH2 4.45Å; L52-W58 HydrophobicContact CD2-CZ2 4.15Å; L52-W58 HydrophobicContact CD2-CZ3 4.43Å; L52-W58 WeakPolarHBondContact O-CB 3.27Å; L52-W58 PolarHBondContact O-N 2.86Å; R56-W58 PolarHBondContact O-N 3.26Å; W58-V61 HydrophobicContact CB-CG2 3.49Å; W58-V61 VanDerWaalsContact CB-CG2 3.49Å; W58-R77 CarbonylContact C-O 3.57Å; W58-R77 VanDerWaalsContact CA-O 3.25Å; W58-R77 WeakPolarHBondContact CA-O 3.33Å; W58-R77 WeakPolarHBondContact CB-O 3.42Å; W58-E78 HydrophobicContact CD2-CB 4.27Å; W58-E78 HydrophobicContact CH2-CB 4.39Å; W58-E78 HydrophobicContact CZ2-CB 3.79Å; W58-E78 HydrophobicContact CZ2-CG 4.04Å; W58-Q85 HydrophobicContact CH2-CB 3.97Å; W58-Q85 HydrophobicContact CH2-CG 4.49Å; W58-Q85 HydrophobicContact CZ3-CB 3.97Å; W58-V87 HydrophobicContact CH2-CG2 4.19Å; W58-V87 HydrophobicContact CZ3-CG2 3.98Å; W58-L112 HydrophobicContact CH2-CD2 4.37Å | ||
| 59 | K | 95.8 | Very high | 95.2 | Very high | 94 Ų | 94 | 56 Ų | 56 | 41% | 0.409 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 149.6 | -179.6 | -54.3 | -55 | 176 | -166.3 | 0 | 110.6 | Q57 V61 R77 | Q57-K59 WeakPolarHBondContact O-CE 3.25Å; K59-V61 PolarHBondContact O-N 2.93Å; K59-R77 HydrophobicContact CB-CB 4.48Å; K59-R77 PolarHBondContact N-O 3.26Å; K59-R77 PolarHBondContact O-N 3.49Å |
| 60 | E | 95.3 | Very high | 94.8 | Very high | 136 Ų | 136 | 63.2 Ų | 63.2 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 55.7 | 35.6 | 175 | -56.7 | 174.6 | 177.9 | 0 | 0 | 112.9 | S62 R77 | E60-S62 PolarHBondContact O-N 3.04Å; E60-R77 IonicContact OE2-CZ 3.55Å; E60-R77 IonicContact OE2-NE 2.76Å; E60-R77 PolarHBondContact OE2-NE 3.12Å; E60-R77 IonicContact OE2-NH2 3.43Å; E60-R77 PolarHBondContact OE2-NH2 2.85Å |
| 61 | V | 97.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 11% | 0.109 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.2 | 119.1 | 179.6 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | Y49 L52 A53 W58 K59 E75 | Y49-V61 HydrophobicContact CD2-CB 4.07Å; Y49-V61 HydrophobicContact CD2-CG1 3.65Å; Y49-V61 HydrophobicContact CE2-CB 4.06Å; Y49-V61 HydrophobicContact CE2-CG1 4.16Å; L52-V61 HydrophobicContact CB-CG1 4.32Å; L52-V61 HydrophobicContact CB-CG2 4.25Å; L52-V61 HydrophobicContact CD1-CG1 4.23Å; A53-V61 HydrophobicContact CB-CG2 4.49Å; W58-V61 HydrophobicContact CB-CG2 3.49Å; W58-V61 VanDerWaalsContact CB-CG2 3.49Å; K59-V61 PolarHBondContact O-N 2.93Å; V61-E75 CarbonylContact C-O 3.47Å; V61-E75 VanDerWaalsContact CA-O 3.25Å; V61-E75 WeakPolarHBondContact CA-O 3.26Å |
| 62 | S | 96.8 | Very high | 94.5 | Very high | 33 Ų | 33 | 60 Ų | 60 | 23% | 0.231 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 156.6 | -177.9 | 107.9 | 0 | 0 | 0 | 0 | 110.6 | E60 L74 E75 | E60-S62 PolarHBondContact O-N 3.04Å; S62-L74 CarbonylContact O-C 3.44Å; S62-L74 VanDerWaalsContact O-CA 3.27Å; S62-L74 WeakPolarHBondContact O-CA 3.45Å; S62-E75 PolarHBondContact N-O 3.34Å; S62-E75 PolarHBondContact O-N 2.94Å; S62-E75 VanDerWaalsContact OG-CG 3.22Å; S62-E75 WeakPolarHBondContact OG-CG 3.47Å; S62-E75 PolarHBondContact OG-OE1 2.89Å |
| 63 | G | 96 | Very high | 94.4 | Very high | 3 Ų | 3 | 60 Ų | 60 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 136 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | H30 L73 | H30-G63 PolarHBondContact NE2-O 3.39Å; H30-G63 VanDerWaalsContact NE2-O 3.09Å; G63-L73 WeakPolarHBondContact CA-O 3.37Å |
| 64 | V | 94.8 | Very high | 94.4 | Very high | 39 Ų | 39 | 59.3 Ų | 59.3 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 137.7 | 177.9 | -61 | 0 | 0 | 0 | 0 | 111 | L73 E75 M86 | V64-L73 HydrophobicContact CG2-CB 3.91Å; V64-L73 PolarHBondContact N-O 2.88Å; V64-L73 PolarHBondContact O-N 3.44Å; V64-E75 HydrophobicContact CG1-CG 4.1Å; V64-M86 HydrophobicContact CG2-CE 3.85Å |
| 65 | G | 94.1 | Very high | 94.4 | Very high | 46 Ų | 46 | 56.7 Ų | 56.7 | 47% | 0.474 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 132.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 66 | C | 91.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 51.6 Ų | 51.6 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 108.3 | 172.8 | 176 | 0 | 0 | 0 | 0 | 110.2 | E68 R70 L71 L73 | C66-E68 VanDerWaalsContact C-N 3.3Å; C66-E68 PolarHBondContact O-N 2.81Å; C66-E68 PolarHBondContact SG-OE2 3.39Å; C66-R70 VanDerWaalsContact O-CA 3.23Å; C66-R70 WeakPolarHBondContact O-CA 3.47Å; C66-R70 PolarHBondContact O-N 3.07Å; C66-L71 WeakPolarHBondContact CB-O 3.47Å; C66-L71 PolarHBondContact N-O 2.94Å; C66-L71 PolarHBondContact O-N 3.22Å; C66-L71 VanDerWaalsContact O-N 3.17Å; C66-L73 HydrophobicContact CB-CD1 3.63Å; C66-L73 HydrophobicContact CB-CD2 4.48Å; C66-L73 HydrophobicContact CB-CG 3.7Å |
| 67 | S | 88.8 | Confident | 94.3 | Very high | 94 Ų | 94 | 48.9 Ų | 48.9 | 66% | 0.657 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -33.3 | -178.3 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | R70 | S67-R70 WeakPolarHBondContact O-CG 3.44Å; S67-R70 PolarHBondContact O-N 3.31Å |
| 68 | E | 88.4 | Confident | 94.2 | Very high | 97 Ų | 97 | 48.5 Ų | 48.5 | 45% | 0.453 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -38.4 | -175.9 | -60.9 | 89.1 | 151.5 | 0 | 0 | 111.5 | C66 V104 | C66-E68 VanDerWaalsContact C-N 3.3Å; C66-E68 PolarHBondContact O-N 2.81Å; C66-E68 PolarHBondContact SG-OE2 3.39Å; E68-V104 HydrophobicContact CB-CG2 4.39Å |
| 69 | L | 89.1 | Confident | 94 | Very high | 11 Ų | 11 | 54 Ų | 54 | 6% | 0.058 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -16.9 | 177.2 | -62 | -175 | 0 | 0 | 0 | 112.6 | L71 L73 L88 R94 S100 V104 | L69-L71 VanDerWaalsContact C-N 3.25Å; L69-L71 HydrophobicContact CB-CB 3.81Å; L69-L71 HydrophobicContact CB-CD1 4.02Å; L69-L71 HydrophobicContact CB-CG 3.92Å; L69-L71 HydrophobicContact CD1-CD1 4.36Å; L69-L73 HydrophobicContact CD1-CD2 4.37Å; L69-L88 HydrophobicContact CD1-CD1 4Å; L69-L88 HydrophobicContact CD1-CD2 4.19Å; L69-R94 PolarHBondContact O-NH2 3.27Å; L69-S100 VanDerWaalsContact CD2-O 3.26Å; L69-S100 WeakPolarHBondContact CD2-O 3.48Å; L69-V104 HydrophobicContact CD1-CG2 3.74Å; L69-V104 HydrophobicContact CD2-CG2 3.89Å; L69-V104 HydrophobicContact CG-CG2 3.59Å |
| 70 | R | 90.9 | Very high | 93.6 | Very high | 189 Ų | 189 | 58.1 Ų | 58.1 | 71% | 0.713 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.2 | 56.2 | -163.2 | -57.4 | 177.3 | 177.8 | 179.5 | -4.2 | 108.9 | V36 C66 S67 R94 | V36-R70 WeakPolarHBondContact CG1-O 3.39Å; C66-R70 VanDerWaalsContact O-CA 3.23Å; C66-R70 WeakPolarHBondContact O-CA 3.47Å; C66-R70 PolarHBondContact O-N 3.07Å; S67-R70 WeakPolarHBondContact O-CG 3.44Å; S67-R70 PolarHBondContact O-N 3.31Å; R70-R94 PolarHBondContact O-NH2 2.95Å |
| 71 | L | 93.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 151.1 | -179.3 | -75.3 | -174.6 | 0 | 0 | 0 | 112.5 | Q41 C66 L69 L88 L96 | Q41-L71 HydrophobicContact CB-CD2 3.95Å; Q41-L71 VanDerWaalsContact CD-CD2 3.42Å; Q41-L71 HydrophobicContact CG-CD2 3.35Å; C66-L71 WeakPolarHBondContact CB-O 3.47Å; C66-L71 PolarHBondContact N-O 2.94Å; C66-L71 PolarHBondContact O-N 3.22Å; C66-L71 VanDerWaalsContact O-N 3.17Å; L69-L71 VanDerWaalsContact C-N 3.25Å; L69-L71 HydrophobicContact CB-CB 3.81Å; L69-L71 HydrophobicContact CB-CD1 4.02Å; L69-L71 HydrophobicContact CB-CG 3.92Å; L69-L71 HydrophobicContact CD1-CD1 4.36Å; L71-L88 HydrophobicContact CD1-CD1 3.73Å; L71-L96 HydrophobicContact CD1-CD1 4.25Å; L71-L96 HydrophobicContact CD1-CD2 3.9Å |
| 72 | V | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 127.5 | 162.9 | 175.2 | 0 | 0 | 0 | 0 | 108.3 | L31 L34 V36 Q41 V42 A45 P89 | L31-V72 HydrophobicContact CD2-CG1 3.77Å; L34-V72 HydrophobicContact CB-CG2 4.42Å; L34-V72 HydrophobicContact CD1-CG1 4.02Å; L34-V72 HydrophobicContact CD1-CG2 4.1Å; V36-V72 HydrophobicContact CB-CG2 4.14Å; V36-V72 HydrophobicContact CG2-CG2 3.51Å; Q41-V72 PolarHBondContact NE2-O 2.82Å; V42-V72 HydrophobicContact CG2-CG2 4.13Å; A45-V72 HydrophobicContact CB-CB 4.16Å; A45-V72 HydrophobicContact CB-CG1 3.88Å; V72-P89 WeakPolarHBondContact O-CD 3.46Å |
| 73 | L | 95.2 | Very high | 92.7 | Very high | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 159.2 | 164 | -55.8 | 179.4 | 0 | 0 | 0 | 108.8 | G63 V64 C66 L69 M86 L88 V104 M111 | G63-L73 WeakPolarHBondContact CA-O 3.37Å; V64-L73 HydrophobicContact CG2-CB 3.91Å; V64-L73 PolarHBondContact N-O 2.88Å; V64-L73 PolarHBondContact O-N 3.44Å; C66-L73 HydrophobicContact CB-CD1 3.63Å; C66-L73 HydrophobicContact CB-CD2 4.48Å; C66-L73 HydrophobicContact CB-CG 3.7Å; L69-L73 HydrophobicContact CD1-CD2 4.37Å; L73-M86 HydrophobicContact CB-CE 3.71Å; L73-M86 HydrophobicContact CD1-CE 3.59Å; L73-M86 HydrophobicContact CG-CE 4.3Å; L73-L88 HydrophobicContact CD2-CB 3.96Å; L73-L88 HydrophobicContact CD2-CD1 3.46Å; L73-L88 VanDerWaalsContact CD2-CD1 3.46Å; L73-L88 HydrophobicContact CD2-CG 4.26Å; L73-V104 HydrophobicContact CD1-CG1 4.48Å; L73-M111 HydrophobicContact CD1-CE 4.16Å |
| 74 | L | 97 | Very high | 92.6 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 144.6 | 166.8 | -55.5 | 174.6 | 0 | 0 | 0 | 109.1 | L31 V48 L52 S62 M86 V87 P89 | L31-L74 HydrophobicContact CD2-CD2 4.29Å; V48-L74 HydrophobicContact CB-CD1 3.87Å; V48-L74 HydrophobicContact CG1-CD1 3.67Å; L52-L74 HydrophobicContact CD1-CD1 3.9Å; S62-L74 CarbonylContact O-C 3.44Å; S62-L74 VanDerWaalsContact O-CA 3.27Å; S62-L74 WeakPolarHBondContact O-CA 3.45Å; L74-M86 CarbonylContact O-C 3.57Å; L74-M86 WeakPolarHBondContact O-CA 3.34Å; L74-V87 HydrophobicContact CB-CB 4.25Å; L74-V87 PolarHBondContact N-O 2.96Å; L74-V87 PolarHBondContact O-N 2.94Å; L74-P89 HydrophobicContact CD1-CG 4.06Å; L74-P89 HydrophobicContact CG-CG 4Å |
| 75 | E | 95.7 | Very high | 92.5 | Very high | 66 Ų | 66 | 64.8 Ų | 64.8 | 31% | 0.308 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 146.2 | 169.3 | 61.2 | 179.6 | -166.6 | 0 | 0 | 108.6 | V61 S62 V64 T84 Q85 M86 | V61-E75 CarbonylContact C-O 3.47Å; V61-E75 VanDerWaalsContact CA-O 3.25Å; V61-E75 WeakPolarHBondContact CA-O 3.26Å; S62-E75 PolarHBondContact N-O 3.34Å; S62-E75 PolarHBondContact O-N 2.94Å; S62-E75 VanDerWaalsContact OG-CG 3.22Å; S62-E75 WeakPolarHBondContact OG-CG 3.47Å; S62-E75 PolarHBondContact OG-OE1 2.89Å; V64-E75 HydrophobicContact CG1-CG 4.1Å; E75-T84 HydrophobicContact CB-CG2 3.79Å; E75-Q85 WeakPolarHBondContact CA-O 3.46Å; E75-M86 HydrophobicContact CB-SD 3.82Å |
| 76 | G | 95.7 | Very high | 92.5 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -179.3 | 173.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | T84 Q85 | G76-T84 WeakPolarHBondContact O-CA 3.22Å; G76-Q85 PolarHBondContact N-O 3.26Å; G76-Q85 VanDerWaalsContact N-O 3.11Å; G76-Q85 PolarHBondContact O-N 3.14Å |
| 77 | R | 95.6 | Very high | 92.8 | Very high | 71 Ų | 71 | 63.9 Ų | 63.9 | 27% | 0.268 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 126.9 | -180 | -57.9 | 179 | -169.6 | -104.5 | 4.3 | 110 | W58 K59 E60 K79 E82 | W58-R77 CarbonylContact C-O 3.57Å; W58-R77 VanDerWaalsContact CA-O 3.25Å; W58-R77 WeakPolarHBondContact CA-O 3.33Å; W58-R77 WeakPolarHBondContact CB-O 3.42Å; K59-R77 HydrophobicContact CB-CB 4.48Å; K59-R77 PolarHBondContact N-O 3.26Å; K59-R77 PolarHBondContact O-N 3.49Å; E60-R77 IonicContact OE2-CZ 3.55Å; E60-R77 IonicContact OE2-NE 2.76Å; E60-R77 PolarHBondContact OE2-NE 3.12Å; E60-R77 IonicContact OE2-NH2 3.43Å; E60-R77 PolarHBondContact OE2-NH2 2.85Å; R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.4Å; R77-E82 PolarHBondContact NH1-O 2.83Å |
| 78 | E | 93.8 | Very high | 93.1 | Very high | 93 Ų | 93 | 59.5 Ų | 59.5 | 44% | 0.435 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -64.3 | -37.6 | 177.7 | -175.8 | 175.6 | 175.5 | 0 | 0 | 112.2 | W58 Q85 | W58-E78 HydrophobicContact CD2-CB 4.27Å; W58-E78 HydrophobicContact CH2-CB 4.39Å; W58-E78 HydrophobicContact CZ2-CB 3.79Å; W58-E78 HydrophobicContact CZ2-CG 4.04Å; E78-Q85 PolarHBondContact OE2-NE2 2.96Å; E78-Q85 VanDerWaalsContact OE2-NE2 3.1Å |
| 79 | K | 92.4 | Very high | 93.5 | Very high | 133 Ų | 133 | 54.9 Ų | 54.9 | 58% | 0.578 | 28% | 0.276 | S | S | * | . | S | Bend | trans | -138.7 | 160.2 | 174.8 | -61 | 175.5 | -175.6 | 169.9 | 0 | 109.8 | R77 G81 E82 | R77-K79 VanDerWaalsContact C-N 3.3Å; R77-K79 PolarHBondContact O-N 3.4Å; K79-G81 PolarHBondContact O-N 3.34Å; K79-E82 HydrophobicContact CB-CG 3.82Å; K79-E82 WeakPolarHBondContact O-CB 3.49Å; K79-E82 PolarHBondContact O-N 2.84Å |
| 80 | E | 88.9 | Confident | 93.8 | Very high | 180 Ų | 180 | 55.4 Ų | 55.4 | 84% | 0.841 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 132.2 | 174.3 | -170.3 | 169.1 | -161 | 0 | 0 | 110.6 | E82 | E80-E82 VanDerWaalsContact C-N 3.28Å; E80-E82 PolarHBondContact O-N 3.03Å |
| 81 | G | 87 | Confident | 94.1 | Very high | 73 Ų | 73 | 46.6 Ų | 46.6 | 75% | 0.753 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -11.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | K79 | K79-G81 PolarHBondContact O-N 3.34Š|
| 82 | E | 90.5 | Very high | 94.2 | Very high | 97 Ų | 97 | 50.1 Ų | 50.1 | 45% | 0.453 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -74.7 | 156.1 | 174.6 | -70.2 | -65.6 | 157 | 0 | 0 | 111.6 | R77 K79 E80 | R77-E82 PolarHBondContact NH1-O 2.83Å; K79-E82 HydrophobicContact CB-CG 3.82Å; K79-E82 WeakPolarHBondContact O-CB 3.49Å; K79-E82 PolarHBondContact O-N 2.84Å; E80-E82 VanDerWaalsContact C-N 3.28Å; E80-E82 PolarHBondContact O-N 3.03Å |
| 83 | P | 91.8 | Very high | 94 | Very high | 85 Ų | 85 | 56.4 Ų | 56.4 | 55% | 0.552 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 147.3 | 176.4 | 27.9 | -33.7 | 0 | 0 | 0 | 111 | Q85 | P83-Q85 PolarHBondContact O-N 3.41Š|
| 84 | T | 93.3 | Very high | 93.8 | Very high | 67 Ų | 67 | 59 Ų | 59 | 41% | 0.411 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 124.4 | 173 | -54.6 | 0 | 0 | 0 | 0 | 109.7 | E75 G76 | E75-T84 HydrophobicContact CB-CG2 3.79Å; G76-T84 WeakPolarHBondContact O-CA 3.22Å |
| 85 | Q | 93.6 | Very high | 93.5 | Very high | 48 Ų | 48 | 62.1 Ų | 62.1 | 22% | 0.224 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 145.9 | 175.7 | -62.7 | -171.4 | 54.5 | 0 | 0 | 110 | W58 E75 G76 E78 P83 | W58-Q85 HydrophobicContact CH2-CB 3.97Å; W58-Q85 HydrophobicContact CH2-CG 4.49Å; W58-Q85 HydrophobicContact CZ3-CB 3.97Å; E75-Q85 WeakPolarHBondContact CA-O 3.46Å; G76-Q85 PolarHBondContact N-O 3.26Å; G76-Q85 VanDerWaalsContact N-O 3.11Å; G76-Q85 PolarHBondContact O-N 3.14Å; E78-Q85 PolarHBondContact OE2-NE2 2.96Å; E78-Q85 VanDerWaalsContact OE2-NE2 3.1Å; P83-Q85 PolarHBondContact O-N 3.41Å |
| 86 | M | 94.6 | Very high | 93.2 | Very high | 35 Ų | 35 | 61.4 Ų | 61.4 | 17% | 0.172 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 133.1 | 174.6 | -63.7 | -62.7 | -58.2 | 0 | 0 | 110 | V64 L73 L74 E75 M111 L112 | V64-M86 HydrophobicContact CG2-CE 3.85Å; L73-M86 HydrophobicContact CB-CE 3.71Å; L73-M86 HydrophobicContact CD1-CE 3.59Å; L73-M86 HydrophobicContact CG-CE 4.3Å; L74-M86 CarbonylContact O-C 3.57Å; L74-M86 WeakPolarHBondContact O-CA 3.34Å; E75-M86 HydrophobicContact CB-SD 3.82Å; M86-M111 HydrophobicContact CB-CE 3.92Å; M86-M111 HydrophobicContact CB-CG 4.41Å; M86-L112 PolarHBondContact O-N 3.41Å |
| 87 | V | 96.6 | Very high | 93 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 134.5 | 175.3 | -169.9 | 0 | 0 | 0 | 0 | 109.2 | V48 L52 W58 L74 P89 L112 C114 Y124 | V48-V87 HydrophobicContact CG1-CG1 3.96Å; L52-V87 HydrophobicContact CD1-CB 4.36Å; L52-V87 HydrophobicContact CD1-CG1 4.44Å; L52-V87 HydrophobicContact CD1-CG2 3.95Å; W58-V87 HydrophobicContact CH2-CG2 4.19Å; W58-V87 HydrophobicContact CZ3-CG2 3.98Å; L74-V87 HydrophobicContact CB-CB 4.25Å; L74-V87 PolarHBondContact N-O 2.96Å; L74-V87 PolarHBondContact O-N 2.94Å; V87-P89 WeakPolarHBondContact O-CD 3.18Å; V87-L112 CarbonylContact C-O 3.5Å; V87-L112 WeakPolarHBondContact CA-O 3.19Å; V87-L112 HydrophobicContact CG1-CB 4.34Å; V87-L112 WeakPolarHBondContact CG1-O 3.36Å; V87-L112 HydrophobicContact CG2-CB 4.16Å; V87-L112 HydrophobicContact CG2-CD2 4.27Å; V87-C114 HydrophobicContact CG1-CB 4.06Å; V87-Y124 HydrophobicContact CG1-CE1 4.36Å |
| 88 | L | 95.8 | Very high | 92.7 | Very high | 1 Ų | 1 | 68.3 Ų | 68.3 | 1% | 0.005 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 102.1 | 175.9 | 169.8 | 59 | 0 | 0 | 0 | 109.4 | L69 L71 L73 L90 L96 M111 L112 L113 C114 M127 | L69-L88 HydrophobicContact CD1-CD1 4Å; L69-L88 HydrophobicContact CD1-CD2 4.19Å; L71-L88 HydrophobicContact CD1-CD1 3.73Å; L73-L88 HydrophobicContact CD2-CB 3.96Å; L73-L88 HydrophobicContact CD2-CD1 3.46Å; L73-L88 VanDerWaalsContact CD2-CD1 3.46Å; L73-L88 HydrophobicContact CD2-CG 4.26Å; L88-L90 PolarHBondContact O-N 3.21Å; L88-L96 HydrophobicContact CD2-CD1 3.73Å; L88-M111 HydrophobicContact CB-CG 4.22Å; L88-M111 HydrophobicContact CB-SD 3.65Å; L88-M111 HydrophobicContact CD2-SD 4.13Å; L88-L112 PolarHBondContact N-O 2.79Å; L88-L113 HydrophobicContact CB-CD1 4.4Å; L88-L113 HydrophobicContact CD2-CD1 3.97Å; L88-L113 HydrophobicContact CG-CD1 3.99Å; L88-C114 PolarHBondContact O-N 3.34Å; L88-M127 HydrophobicContact CB-CE 4.5Å; L88-M127 HydrophobicContact CD2-CE 3.8Å |
| 89 | P | 97.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 118.7 | 171.6 | -15.7 | 32.1 | 0 | 0 | 0 | 110.1 | Q41 A45 V48 V72 L74 V87 | Q41-P89 PolarHBondContact NE2-O 3.1Å; Q41-P89 VanDerWaalsContact NE2-O 3.08Å; A45-P89 HydrophobicContact CB-CB 3.94Å; A45-P89 HydrophobicContact CB-CG 3.74Å; V48-P89 HydrophobicContact CB-CB 4.32Å; V48-P89 HydrophobicContact CB-CG 4.24Å; V48-P89 HydrophobicContact CG1-CG 4.43Å; V48-P89 HydrophobicContact CG2-CB 3.9Å; V48-P89 HydrophobicContact CG2-CG 4.33Å; V72-P89 WeakPolarHBondContact O-CD 3.46Å; L74-P89 HydrophobicContact CD1-CG 4.06Å; L74-P89 HydrophobicContact CG-CG 4Å; V87-P89 WeakPolarHBondContact O-CD 3.18Å |
| 90 | L | 96.4 | Very high | 92.3 | Very high | 22 Ų | 22 | 69.4 Ų | 69.4 | 12% | 0.115 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 109.3 | -179.6 | -174.2 | 64.7 | 0 | 0 | 0 | 110.5 | L88 R94 L96 L113 C114 V115 V116 | L88-L90 PolarHBondContact O-N 3.21Å; L90-R94 HydrophobicContact CD1-CB 4.2Å; L90-R94 HydrophobicContact CD1-CG 4.23Å; L90-R94 WeakPolarHBondContact CD1-O 3.28Å; L90-L96 HydrophobicContact CD1-CD1 3.78Å; L90-L96 HydrophobicContact CD1-CG 3.76Å; L90-L96 HydrophobicContact CD2-CD1 4.09Å; L90-L96 HydrophobicContact CD2-CG 4.33Å; L90-L113 HydrophobicContact CB-CD1 3.83Å; L90-L113 HydrophobicContact CD2-CD1 4.08Å; L90-C114 PolarHBondContact N-O 2.87Å; L90-V115 WeakPolarHBondContact O-CA 3.33Å; L90-V116 PolarHBondContact O-N 3.34Å |
| 91 | P | 96.3 | Very high | 92.4 | Very high | 4 Ų | 4 | 62.1 Ų | 62.1 | 3% | 0.026 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 141.7 | 172.7 | 24.4 | -30.2 | 0 | 0 | 0 | 111.1 | Q41 A44 H93 R94 V116 | Q41-P91 HydrophobicContact CB-CG 4.27Å; Q41-P91 HydrophobicContact CG-CG 4.41Å; A44-P91 HydrophobicContact CB-CB 4.05Å; A44-P91 HydrophobicContact CB-CG 4.26Å; P91-H93 PolarHBondContact O-N 3.22Å; P91-R94 HydrophobicContact CG-CB 3.86Å; P91-R94 PolarHBondContact O-N 3.44Å; P91-V116 WeakPolarHBondContact CA-O 3.47Å |
| 92 | V | 94.7 | Very high | 92.5 | Very high | 75 Ų | 75 | 65.8 Ų | 65.8 | 46% | 0.455 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | -26.3 | -174.6 | -75.5 | 0 | 0 | 0 | 0 | 115.3 | V115 V116 A117 | V92-V115 HydrophobicContact CG1-CG1 3.59Å; V92-V116 WeakPolarHBondContact CG1-O 3.4Å; V92-V116 PolarHBondContact N-O 3.32Å; V92-A117 HydrophobicContact CG1-CB 4.15Å |
| 93 | H | 91.7 | Very high | 92.4 | Very high | 132 Ų | 132 | 63.8 Ų | 63.8 | 61% | 0.611 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.9 | -179.9 | 55.3 | -92.5 | 0 | 0 | 0 | 113.2 | A40 P91 | A40-H93 WeakPolarHBondContact CB-NE2 3.41Å; P91-H93 PolarHBondContact O-N 3.22Å |
| 94 | R | 91.3 | Very high | 92.2 | Very high | 56 Ų | 56 | 60 Ų | 60 | 21% | 0.211 | 31% | 0.311 | C | S | . | . | trans | -103.4 | 123.5 | 177.9 | -175 | 167.4 | 176.7 | 167.1 | -7.3 | 110.5 | D38 L69 R70 L90 P91 | D38-R94 VanDerWaalsContact CB-NH1 3.29Å; D38-R94 WeakPolarHBondContact OD2-CD 3.41Å; D38-R94 IonicContact OD2-CZ 3.86Å; D38-R94 IonicContact OD2-NE 2.64Å; D38-R94 IonicContact OD2-NH1 3.61Å; D38-R94 PolarHBondContact OD2-NH1 3.09Å; L69-R94 PolarHBondContact O-NH2 3.27Å; R70-R94 PolarHBondContact O-NH2 2.95Å; L90-R94 HydrophobicContact CD1-CB 4.2Å; L90-R94 HydrophobicContact CD1-CG 4.23Å; L90-R94 WeakPolarHBondContact CD1-O 3.28Å; P91-R94 HydrophobicContact CG-CB 3.86Å; P91-R94 PolarHBondContact O-N 3.44Å | ||
| 95 | G | 90.3 | Very high | 91.9 | Very high | 67 Ų | 67 | 57.4 Ų | 57.4 | 69% | 0.691 | 30% | 0.295 | S | S | * | . | trans | -84.9 | 153.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 96 | L | 89.5 | Confident | 91.5 | Very high | 51 Ų | 51 | 58.1 Ų | 58.1 | 27% | 0.267 | 31% | 0.309 | S | S | . | . | trans | -124.1 | 143.1 | 167 | -72.8 | 178.5 | 0 | 0 | 0 | 110.3 | L71 L88 L90 V101 | L71-L96 HydrophobicContact CD1-CD1 4.25Å; L71-L96 HydrophobicContact CD1-CD2 3.9Å; L88-L96 HydrophobicContact CD2-CD1 3.73Å; L90-L96 HydrophobicContact CD1-CD1 3.78Å; L90-L96 HydrophobicContact CD1-CG 3.76Å; L90-L96 HydrophobicContact CD2-CD1 4.09Å; L90-L96 HydrophobicContact CD2-CG 4.33Å; L96-V101 HydrophobicContact CB-CG2 4.02Å; L96-V101 HydrophobicContact CD1-CG2 4.17Å | ||
| 97 | S | 91 | Very high | 90.8 | Very high | 59 Ų | 59 | 65 Ų | 65 | 41% | 0.413 | 33% | 0.333 | S | S | . | . | trans | -80.5 | 145.8 | 173.1 | 88.3 | 0 | 0 | 0 | 0 | 110.5 | R99 S100 V101 | S97-R99 PolarHBondContact O-N 3.25Å; S97-S100 WeakPolarHBondContact O-CB 3.41Å; S97-S100 PolarHBondContact O-N 2.96Å; S97-S100 WeakPolarHBondContact OG-CB 3.4Å; S97-S100 PolarHBondContact OG-N 3.06Å; S97-S100 VanDerWaalsContact OG-N 3.07Å; S97-S100 PolarHBondContact OG-OG 2.96Å; S97-V101 PolarHBondContact O-N 3.47Å; S97-V101 VanDerWaalsContact O-N 3.07Å | ||
| 98 | H | 89.3 | Confident | 89.8 | Confident | 157 Ų | 157 | 68.1 Ų | 68.1 | 73% | 0.727 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.2 | -36.3 | 174.1 | -173.4 | -84 | 0 | 0 | 0 | 112.2 | S100 V101 R102 | H98-S100 PolarHBondContact O-N 3.4Å; H98-V101 PolarHBondContact O-N 3.24Å; H98-R102 VanDerWaalsContact O-CB 3.31Å; H98-R102 WeakPolarHBondContact O-CB 3.49Å; H98-R102 PolarHBondContact O-N 3.44Å |
| 99 | R | 90.8 | Very high | 89 | Confident | 214 Ų | 214 | 71.8 Ų | 71.8 | 81% | 0.808 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.2 | -45.1 | 176 | -178.8 | -177.3 | 177.8 | -133.8 | -0 | 111.6 | S97 R102 S103 | S97-R99 PolarHBondContact O-N 3.25Å; R99-R102 PolarHBondContact O-N 2.92Å; R99-S103 PolarHBondContact O-N 3.44Å; R99-S103 VanDerWaalsContact O-N 3.07Å |
| 100 | S | 89.1 | Confident | 88.4 | Confident | 35 Ų | 35 | 74.3 Ų | 74.3 | 25% | 0.245 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -66.1 | -44.1 | -180 | -56.7 | 0 | 0 | 0 | 0 | 111.4 | L69 S97 H98 R102 S103 | L69-S100 VanDerWaalsContact CD2-O 3.26Å; L69-S100 WeakPolarHBondContact CD2-O 3.48Å; S97-S100 WeakPolarHBondContact O-CB 3.41Å; S97-S100 PolarHBondContact O-N 2.96Å; S97-S100 WeakPolarHBondContact OG-CB 3.4Å; S97-S100 PolarHBondContact OG-N 3.06Å; S97-S100 VanDerWaalsContact OG-N 3.07Å; S97-S100 PolarHBondContact OG-OG 2.96Å; H98-S100 PolarHBondContact O-N 3.4Å; S100-R102 VanDerWaalsContact C-N 3.34Å; S100-R102 PolarHBondContact O-N 3.18Å; S100-S103 PolarHBondContact O-N 3.48Å; S100-S103 PolarHBondContact O-OG 3.34Å |
| 101 | V | 89.4 | Confident | 88.1 | Confident | 27 Ų | 27 | 73.7 Ų | 73.7 | 16% | 0.164 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 176.6 | 176.1 | 0 | 0 | 0 | 0 | 110.5 | L96 S97 H98 S103 V104 L105 M127 | L96-V101 HydrophobicContact CB-CG2 4.02Å; L96-V101 HydrophobicContact CD1-CG2 4.17Å; S97-V101 PolarHBondContact O-N 3.47Å; S97-V101 VanDerWaalsContact O-N 3.07Å; H98-V101 PolarHBondContact O-N 3.24Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.24Å; V101-V104 PolarHBondContact O-N 3.42Å; V101-V104 VanDerWaalsContact O-N 3.16Å; V101-L105 HydrophobicContact CG1-CD1 3.69Å; V101-L105 HydrophobicContact CG1-CG 4.2Å; V101-L105 WeakPolarHBondContact O-CG 3.01Å; V101-L105 PolarHBondContact O-N 3.07Å; V101-M127 HydrophobicContact CG1-CE 4.19Å; V101-M127 HydrophobicContact CG1-SD 3.79Å |
| 102 | R | 89.5 | Confident | 88 | Confident | 149 Ų | 149 | 75 Ų | 75 | 56% | 0.562 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -62.1 | -37 | 179.5 | -170.7 | 176.7 | 175.9 | -167.8 | -2.9 | 113 | H98 R99 S100 V104 L105 A106 | H98-R102 VanDerWaalsContact O-CB 3.31Å; H98-R102 WeakPolarHBondContact O-CB 3.49Å; H98-R102 PolarHBondContact O-N 3.44Å; R99-R102 PolarHBondContact O-N 2.92Å; S100-R102 VanDerWaalsContact C-N 3.34Å; S100-R102 PolarHBondContact O-N 3.18Å; R102-V104 PolarHBondContact O-N 2.91Å; R102-L105 PolarHBondContact O-N 3.03Å; R102-A106 VanDerWaalsContact O-CB 3.27Å; R102-A106 WeakPolarHBondContact O-CB 3.43Å; R102-A106 PolarHBondContact O-N 3.01Å |
| 103 | S | 87.9 | Confident | 88.1 | Confident | 56 Ų | 56 | 72.5 Ų | 72.5 | 39% | 0.392 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.1 | -29.6 | 178.1 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | R99 S100 V101 | R99-S103 PolarHBondContact O-N 3.44Å; R99-S103 VanDerWaalsContact O-N 3.07Å; S100-S103 PolarHBondContact O-N 3.48Å; S100-S103 PolarHBondContact O-OG 3.34Å; V101-S103 VanDerWaalsContact C-N 3.34Å; V101-S103 PolarHBondContact O-N 3.24Å |
| 104 | V | 87.3 | Confident | 88.3 | Confident | 6 Ų | 6 | 66.2 Ų | 66.2 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -84.8 | -38.9 | 177.5 | -168.6 | 0 | 0 | 0 | 0 | 111.8 | E68 L69 L73 V101 R102 A106 R107 M111 | E68-V104 HydrophobicContact CB-CG2 4.39Å; L69-V104 HydrophobicContact CD1-CG2 3.74Å; L69-V104 HydrophobicContact CD2-CG2 3.89Å; L69-V104 HydrophobicContact CG-CG2 3.59Å; L73-V104 HydrophobicContact CD1-CG1 4.48Å; V101-V104 PolarHBondContact O-N 3.42Å; V101-V104 VanDerWaalsContact O-N 3.16Å; R102-V104 PolarHBondContact O-N 2.91Å; V104-A106 VanDerWaalsContact C-N 3.32Å; V104-A106 PolarHBondContact O-N 3.08Å; V104-R107 WeakPolarHBondContact O-CB 3.42Å; V104-R107 WeakPolarHBondContact O-CG 3.47Å; V104-R107 PolarHBondContact O-N 3.19Å; V104-M111 HydrophobicContact CB-CE 4.35Å; V104-M111 HydrophobicContact CG1-CE 3.32Å; V104-M111 HydrophobicContact CG1-SD 4.36Å |
| 105 | L | 88.8 | Confident | 88.6 | Confident | 12 Ų | 12 | 65.7 Ų | 65.7 | 6% | 0.063 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -68.7 | -28.7 | 177.1 | -67.2 | 175.7 | 0 | 0 | 0 | 113.4 | V101 R102 R107 G108 M111 M127 D129 | V101-L105 HydrophobicContact CG1-CD1 3.69Å; V101-L105 HydrophobicContact CG1-CG 4.2Å; V101-L105 WeakPolarHBondContact O-CG 3.01Å; V101-L105 PolarHBondContact O-N 3.07Å; R102-L105 PolarHBondContact O-N 3.03Å; L105-R107 PolarHBondContact O-N 3.5Å; L105-G108 PolarHBondContact O-N 3.39Å; L105-M111 HydrophobicContact CD2-CB 3.71Å; L105-M127 HydrophobicContact CD1-CB 4.08Å; L105-M127 HydrophobicContact CD2-CB 3.99Å; L105-D129 HydrophobicContact CB-CB 4.12Å |
| 106 | A | 84.5 | Confident | 89 | Confident | 63 Ų | 63 | 62.8 Ų | 62.8 | 52% | 0.521 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -10.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | R102 V104 G108 | R102-A106 VanDerWaalsContact O-CB 3.27Å; R102-A106 WeakPolarHBondContact O-CB 3.43Å; R102-A106 PolarHBondContact O-N 3.01Å; V104-A106 VanDerWaalsContact C-N 3.32Å; V104-A106 PolarHBondContact O-N 3.08Å; A106-G108 PolarHBondContact O-N 3.32Å |
| 107 | R | 80.7 | Confident | 89.3 | Confident | 180 Ų | 180 | 61.8 Ų | 61.8 | 68% | 0.679 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -7.2 | 171.7 | -59 | 176 | 77.1 | -172.5 | 3.9 | 112.9 | V104 L105 | V104-R107 WeakPolarHBondContact O-CB 3.42Å; V104-R107 WeakPolarHBondContact O-CG 3.47Å; V104-R107 PolarHBondContact O-N 3.19Å; L105-R107 PolarHBondContact O-N 3.5Å |
| 108 | G | 73.8 | Confident | 89.5 | Confident | 64 Ų | 64 | 64.1 Ų | 64.1 | 66% | 0.66 | 35% | 0.352 | S | S | * | . | S | Bend | trans | 90.3 | -8.3 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | L105 A106 | L105-G108 PolarHBondContact O-N 3.39Å; A106-G108 PolarHBondContact O-N 3.32Å |
| 109 | S | 78.9 | Confident | 89.8 | Confident | 79 Ų | 79 | 62.1 Ų | 62.1 | 55% | 0.552 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -96.5 | 129.7 | 178.1 | -61.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 110 | P | 84.6 | Confident | 89.9 | Confident | 53 Ų | 53 | 55.1 Ų | 55.1 | 34% | 0.344 | 33% | 0.33 | S | S | . | . | trans | -52.3 | 142 | 166.9 | -27.5 | 36.7 | 0 | 0 | 0 | 111.3 | ||||
| 111 | M | 90.9 | Very high | 90.3 | Very high | 9 Ų | 9 | 56.2 Ų | 56.2 | 4% | 0.044 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 141.9 | 178.3 | 177 | 173.3 | -72 | 0 | 0 | 109.7 | L73 M86 L88 V104 L105 M127 | L73-M111 HydrophobicContact CD1-CE 4.16Å; M86-M111 HydrophobicContact CB-CE 3.92Å; M86-M111 HydrophobicContact CB-CG 4.41Å; L88-M111 HydrophobicContact CB-CG 4.22Å; L88-M111 HydrophobicContact CB-SD 3.65Å; L88-M111 HydrophobicContact CD2-SD 4.13Å; V104-M111 HydrophobicContact CB-CE 4.35Å; V104-M111 HydrophobicContact CG1-CE 3.32Å; V104-M111 HydrophobicContact CG1-SD 4.36Å; L105-M111 HydrophobicContact CD2-CB 3.71Å; M111-M127 HydrophobicContact CB-CE 4.3Å; M111-M127 HydrophobicContact CG-CE 3.92Å; M111-M127 PolarHBondContact N-O 3.03Å; M111-M127 PolarHBondContact O-N 3.22Å; M111-M127 HydrophobicContact SD-CE 3.8Å |
| 112 | L | 94.6 | Very high | 90.7 | Very high | 30 Ų | 30 | 57 Ų | 57 | 16% | 0.157 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 112.7 | 173.5 | -165.5 | 66 | 0 | 0 | 0 | 109.4 | W58 M86 V87 L88 Y124 | W58-L112 HydrophobicContact CH2-CD2 4.37Å; M86-L112 PolarHBondContact O-N 3.41Å; V87-L112 CarbonylContact C-O 3.5Å; V87-L112 WeakPolarHBondContact CA-O 3.19Å; V87-L112 HydrophobicContact CG1-CB 4.34Å; V87-L112 WeakPolarHBondContact CG1-O 3.36Å; V87-L112 HydrophobicContact CG2-CB 4.16Å; V87-L112 HydrophobicContact CG2-CD2 4.27Å; L88-L112 PolarHBondContact N-O 2.79Å; L112-Y124 HydrophobicContact CD2-CD1 3.43Å; L112-Y124 VanDerWaalsContact CD2-CD1 3.43Å; L112-Y124 HydrophobicContact CD2-CE1 4.05Å; L112-Y124 HydrophobicContact CD2-CG 4.26Å; L112-Y124 HydrophobicContact CG-CD1 3.82Å |
| 113 | L | 95.4 | Very high | 91.1 | Very high | 23 Ų | 23 | 54.2 Ų | 54.2 | 12% | 0.12 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 130.5 | 167.4 | 179.5 | 63.3 | 0 | 0 | 0 | 108.7 | L88 L90 V115 Y124 Q125 M127 | L88-L113 HydrophobicContact CB-CD1 4.4Å; L88-L113 HydrophobicContact CD2-CD1 3.97Å; L88-L113 HydrophobicContact CG-CD1 3.99Å; L90-L113 HydrophobicContact CB-CD1 3.83Å; L90-L113 HydrophobicContact CD2-CD1 4.08Å; L113-V115 HydrophobicContact CD2-CG2 4.03Å; L113-V115 HydrophobicContact CG-CG2 4.08Å; L113-Y124 CarbonylContact O-C 3.58Å; L113-Y124 WeakPolarHBondContact O-CA 3.44Å; L113-Q125 WeakPolarHBondContact CB-O 3.33Å; L113-Q125 PolarHBondContact N-O 3.09Å; L113-Q125 PolarHBondContact O-N 2.97Å; L113-M127 HydrophobicContact CB-CE 3.84Å; L113-M127 HydrophobicContact CB-CG 3.91Å; L113-M127 HydrophobicContact CB-SD 3.88Å; L113-M127 HydrophobicContact CD1-CE 4.37Å; L113-M127 HydrophobicContact CD2-SD 4.16Å; L113-M127 HydrophobicContact CG-SD 4.45Å |
| 114 | C | 97.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 109.9 | 167.6 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | V48 V87 L88 L90 V123 Y124 | V48-C114 HydrophobicContact CG1-CB 4.08Å; V48-C114 HydrophobicContact CG2-CB 3.9Å; V48-C114 WeakPolarHBondContact CG2-SG 3.38Å; V87-C114 HydrophobicContact CG1-CB 4.06Å; L88-C114 PolarHBondContact O-N 3.34Å; L90-C114 PolarHBondContact N-O 2.87Å; C114-V123 CarbonylContact C-O 3.55Å; C114-V123 WeakPolarHBondContact CA-O 3.15Å; C114-Y124 HydrophobicContact CB-CD1 3.76Å; C114-Y124 HydrophobicContact CB-CE1 3.63Å; C114-Y124 WeakPolarHBondContact SG-CE1 3.46Å; C114-Y124 VanDerWaalsContact SG-CZ 3.59Å |
| 115 | V | 97.6 | Very high | 91.8 | Very high | 45 Ų | 45 | 59.5 Ų | 59.5 | 27% | 0.273 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 124 | 174.8 | -178.9 | 0 | 0 | 0 | 0 | 108.7 | L90 V92 L113 V123 | L90-V115 WeakPolarHBondContact O-CA 3.33Å; V92-V115 HydrophobicContact CG1-CG1 3.59Å; L113-V115 HydrophobicContact CD2-CG2 4.03Å; L113-V115 HydrophobicContact CG-CG2 4.08Å; V115-V123 PolarHBondContact N-O 2.94Å; V115-V123 PolarHBondContact O-N 3.2Å |
| 116 | V | 97.9 | Very high | 92 | Very high | 7 Ų | 7 | 66.3 Ų | 66.3 | 4% | 0.042 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 109.9 | -176.4 | -172 | 0 | 0 | 0 | 0 | 109.4 | A44 L47 V48 L90 P91 V92 L122 | A44-V116 HydrophobicContact CB-CB 3.96Å; A44-V116 HydrophobicContact CB-CG1 4.14Å; A44-V116 HydrophobicContact CB-CG2 3.87Å; L47-V116 HydrophobicContact CD1-CG1 3.92Å; V48-V116 HydrophobicContact CG2-CG2 3.61Å; L90-V116 PolarHBondContact O-N 3.34Å; P91-V116 WeakPolarHBondContact CA-O 3.47Å; V92-V116 WeakPolarHBondContact CG1-O 3.4Å; V92-V116 PolarHBondContact N-O 3.32Å; V116-L122 HydrophobicContact CB-CD2 4.07Å; V116-L122 HydrophobicContact CG1-CD2 3.76Å; V116-L122 HydrophobicContact CG2-CD2 3.68Å |
| 117 | A | 96.8 | Very high | 92.2 | Very high | 29 Ų | 29 | 64.5 Ų | 64.5 | 24% | 0.24 | 36% | 0.363 | C | S | . | . | trans | -77 | 160.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | V92 D119 S120 S121 | V92-A117 HydrophobicContact CG1-CB 4.15Å; A117-D119 WeakPolarHBondContact CB-OD1 3.34Å; A117-D119 PolarHBondContact O-N 3.03Å; A117-S120 WeakPolarHBondContact O-CA 3.49Å; A117-S120 PolarHBondContact O-N 3.41Å; A117-S121 PolarHBondContact N-O 2.91Å | ||
| 118 | S | 94.4 | Very high | 92.5 | Very high | 108 Ų | 108 | 57.5 Ų | 57.5 | 76% | 0.755 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -21.9 | -179.4 | -54.6 | 0 | 0 | 0 | 0 | 113.5 | S120 | S118-S120 PolarHBondContact O-N 3.42Š|
| 119 | D | 95.3 | Very high | 93 | Very high | 116 Ų | 116 | 59 Ų | 59 | 62% | 0.62 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.1 | 9.5 | 172.8 | 67 | -3.9 | 0 | 0 | 0 | 112.8 | A117 S121 | A117-D119 WeakPolarHBondContact CB-OD1 3.34Å; A117-D119 PolarHBondContact O-N 3.03Å; D119-S121 VanDerWaalsContact C-N 3.25Å; D119-S121 VanDerWaalsContact CG-OG 3.29Å; D119-S121 PolarHBondContact O-N 3.16Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 2.94Å; D119-S121 PolarHBondContact OD1-OG 3.09Å; D119-S121 PolarHBondContact OD2-OG 3.29Å |
| 120 | S | 94.1 | Very high | 93 | Very high | 66 Ų | 66 | 58 Ų | 58 | 46% | 0.462 | 34% | 0.336 | S | S | . | . | trans | 69.2 | 11.4 | -176 | -47 | 0 | 0 | 0 | 0 | 115.4 | A117 S118 | A117-S120 WeakPolarHBondContact O-CA 3.49Å; A117-S120 PolarHBondContact O-N 3.41Å; S118-S120 PolarHBondContact O-N 3.42Å | ||
| 121 | S | 96.6 | Very high | 92.5 | Very high | 59 Ų | 59 | 64 Ų | 64 | 41% | 0.413 | 36% | 0.364 | S | S | . | . | trans | -67 | 138.9 | 170.9 | -60.8 | 0 | 0 | 0 | 0 | 111.2 | A117 D119 | A117-S121 PolarHBondContact N-O 2.91Å; D119-S121 VanDerWaalsContact C-N 3.25Å; D119-S121 VanDerWaalsContact CG-OG 3.29Å; D119-S121 PolarHBondContact O-N 3.16Å; D119-S121 WeakPolarHBondContact OD1-CB 3.44Å; D119-S121 PolarHBondContact OD1-N 2.94Å; D119-S121 PolarHBondContact OD1-OG 3.09Å; D119-S121 PolarHBondContact OD2-OG 3.29Å | ||
| 122 | L | 98.2 | Very high | 91.7 | Very high | 42 Ų | 42 | 68.9 Ų | 68.9 | 22% | 0.22 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 126.2 | -176.7 | -58 | -177.6 | 0 | 0 | 0 | 111 | V48 D51 V116 Y124 | V48-L122 HydrophobicContact CG2-CD2 4.02Å; D51-L122 HydrophobicContact CB-CD1 3.32Å; V116-L122 HydrophobicContact CB-CD2 4.07Å; V116-L122 HydrophobicContact CG1-CD2 3.76Å; V116-L122 HydrophobicContact CG2-CD2 3.68Å; L122-Y124 HydrophobicContact CB-CE2 4.05Å |
| 123 | V | 97.4 | Very high | 90.8 | Very high | 92 Ų | 92 | 73.6 Ų | 73.6 | 56% | 0.558 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 120.4 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 109.9 | C114 V115 | C114-V123 CarbonylContact C-O 3.55Å; C114-V123 WeakPolarHBondContact CA-O 3.15Å; V115-V123 PolarHBondContact N-O 2.94Å; V115-V123 PolarHBondContact O-N 3.2Å |
| 124 | Y | 96.6 | Very high | 89.9 | Confident | 48 Ų | 48 | 77.6 Ų | 77.6 | 19% | 0.188 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 130.2 | -179 | -67.3 | -86.5 | 0 | 0 | 0 | 111.5 | V48 D51 L52 R56 V87 L112 L113 C114 L122 | V48-Y124 HydrophobicContact CG1-CE1 4.24Å; D51-Y124 WeakPolarHBondContact OD2-CE2 3.26Å; D51-Y124 VanDerWaalsContact OD2-CZ 3.23Å; D51-Y124 PolarHBondContact OD2-OH 3.38Å; L52-Y124 HydrophobicContact CD2-CE1 4.11Å; R56-Y124 VanDerWaalsContact NH2-CD2 3.29Å; V87-Y124 HydrophobicContact CG1-CE1 4.36Å; L112-Y124 HydrophobicContact CD2-CD1 3.43Å; L112-Y124 VanDerWaalsContact CD2-CD1 3.43Å; L112-Y124 HydrophobicContact CD2-CE1 4.05Å; L112-Y124 HydrophobicContact CD2-CG 4.26Å; L112-Y124 HydrophobicContact CG-CD1 3.82Å; L113-Y124 CarbonylContact O-C 3.58Å; L113-Y124 WeakPolarHBondContact O-CA 3.44Å; C114-Y124 HydrophobicContact CB-CD1 3.76Å; C114-Y124 HydrophobicContact CB-CE1 3.63Å; C114-Y124 WeakPolarHBondContact SG-CE1 3.46Å; C114-Y124 VanDerWaalsContact SG-CZ 3.59Å; L122-Y124 HydrophobicContact CB-CE2 4.05Å |
| 125 | Q | 93.7 | Very high | 88.9 | Confident | 125 Ų | 125 | 84.8 Ų | 84.8 | 58% | 0.584 | 49% | 0.486 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 129.6 | 176.8 | -178.3 | 173.9 | -11.4 | 0 | 0 | 110.4 | L113 | L113-Q125 WeakPolarHBondContact CB-O 3.33Å; L113-Q125 PolarHBondContact N-O 3.09Å; L113-Q125 PolarHBondContact O-N 2.97Å |
| 126 | R | 91.8 | Very high | 87.9 | Confident | 154 Ų | 154 | 87.8 Ų | 87.8 | 58% | 0.581 | 51% | 0.507 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 129.9 | 176.1 | -166.8 | 172.4 | -175.3 | 154.6 | 2.8 | 110.5 | ||
| 127 | M | 90.3 | Very high | 87.1 | Confident | 26 Ų | 26 | 91.8 Ų | 91.8 | 13% | 0.128 | 53% | 0.532 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 138.8 | 172.7 | -58.3 | -168.9 | -67.8 | 0 | 0 | 109.9 | L88 V101 L105 M111 L113 | L88-M127 HydrophobicContact CB-CE 4.5Å; L88-M127 HydrophobicContact CD2-CE 3.8Å; V101-M127 HydrophobicContact CG1-CE 4.19Å; V101-M127 HydrophobicContact CG1-SD 3.79Å; L105-M127 HydrophobicContact CD1-CB 4.08Å; L105-M127 HydrophobicContact CD2-CB 3.99Å; M111-M127 HydrophobicContact CB-CE 4.3Å; M111-M127 HydrophobicContact CG-CE 3.92Å; M111-M127 PolarHBondContact N-O 3.03Å; M111-M127 PolarHBondContact O-N 3.22Å; M111-M127 HydrophobicContact SD-CE 3.8Å; L113-M127 HydrophobicContact CB-CE 3.84Å; L113-M127 HydrophobicContact CB-CG 3.91Å; L113-M127 HydrophobicContact CB-SD 3.88Å; L113-M127 HydrophobicContact CD1-CE 4.37Å; L113-M127 HydrophobicContact CD2-SD 4.16Å; L113-M127 HydrophobicContact CG-SD 4.45Å |
| 128 | C | 86.5 | Confident | 86.1 | Confident | 33 Ų | 33 | 97.8 Ų | 97.8 | 22% | 0.223 | 57% | 0.566 | C | S | . | * | trans | -140.1 | 152.5 | 178.3 | -69.4 | 0 | 0 | 0 | 0 | 109.8 | G130 L132 | C128-G130 PolarHBondContact O-N 3.1Å; C128-L132 HydrophobicContact CB-CD1 4.06Å; C128-L132 HydrophobicContact CB-CD2 4.35Å; C128-L132 HydrophobicContact CB-CG 3.99Å; C128-L132 VanDerWaalsContact SG-CD1 3.53Å | ||
| 129 | D | 84.1 | Confident | 84.8 | Confident | 94 Ų | 94 | 96.1 Ų | 96.1 | 50% | 0.503 | 57% | 0.565 | S | S | . | * | S | Bend | trans | -81 | 104.1 | 170.1 | -166.7 | 13.7 | 0 | 0 | 0 | 109 | L105 | L105-D129 HydrophobicContact CB-CB 4.12Š|
| 130 | G | 79.9 | Confident | 83.1 | Confident | 58 Ų | 58 | 96.8 Ų | 96.8 | 60% | 0.598 | 57% | 0.568 | S | S | * | * | S | Bend | trans | 103.2 | -158.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | C128 | C128-G130 PolarHBondContact O-N 3.1Š|
| 131 | L | 73.9 | Confident | 81.4 | Confident | 180 Ų | 180 | 101.1 Ų | 101.1 | 94% | 0.942 | 58% | 0.581 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 128.2 | -175.1 | -61.5 | 175.7 | 0 | 0 | 0 | 110.5 | ||
| 132 | L | 73.2 | Confident | 79.6 | Confident | 111 Ų | 111 | 104.1 Ų | 104.1 | 58% | 0.581 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 130 | 165.4 | -76.2 | 172.7 | 0 | 0 | 0 | 109.2 | C128 | C128-L132 HydrophobicContact CB-CD1 4.06Å; C128-L132 HydrophobicContact CB-CD2 4.35Å; C128-L132 HydrophobicContact CB-CG 3.99Å; C128-L132 VanDerWaalsContact SG-CD1 3.53Å |
| 133 | T | 75.4 | Confident | 77.4 | Confident | 130 Ų | 130 | 110.3 Ų | 110.3 | 80% | 0.798 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 124.3 | 167.4 | -51.3 | 0 | 0 | 0 | 0 | 107.9 | ||
| 134 | P | 77.1 | Confident | 75.3 | Confident | 107 Ų | 107 | 108.5 Ų | 108.5 | 70% | 0.695 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 150.1 | 176.7 | 27.7 | -34.2 | 0 | 0 | 0 | 109.8 | ||
| 135 | D | 76.2 | Confident | 73.2 | Confident | 150 Ų | 150 | 116.8 Ų | 116.8 | 80% | 0.802 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 137.4 | 170.8 | -68.9 | -43.1 | 0 | 0 | 0 | 109.3 | ||
| 136 | P | 77.6 | Confident | 71.4 | Confident | 109 Ų | 109 | 121.2 Ų | 121.2 | 71% | 0.708 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 136.5 | 179.6 | 23.1 | -31.3 | 0 | 0 | 0 | 109.3 | V138 | P136-V138 PolarHBondContact O-N 2.76Š|
| 137 | P | 80.4 | Confident | 69.6 | Low | 90 Ų | 90 | 122.4 Ų | 122.4 | 58% | 0.584 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -59 | 128 | 179.6 | 22.8 | -33.1 | 0 | 0 | 0 | 110.3 | G139 I140 | P137-G139 PolarHBondContact O-N 3.12Å; P137-G139 VanDerWaalsContact O-N 3.14Å; P137-I140 HydrophobicContact CB-CD1 4.25Å; P137-I140 HydrophobicContact CB-CG1 4.3Å; P137-I140 HydrophobicContact CG-CD1 3.31Å; P137-I140 HydrophobicContact CG-CG1 3.78Å |
| 138 | V | 75.2 | Confident | 67.6 | Low | 156 Ų | 156 | 130.3 Ų | 130.3 | 95% | 0.945 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 112.8 | 176.9 | -168.9 | 0 | 0 | 0 | 0 | 108.1 | P136 | P136-V138 PolarHBondContact O-N 2.76Š|
| 139 | G | 68.2 | Low | 66.2 | Low | 72 Ų | 72 | 139.7 Ų | 139.7 | 74% | 0.742 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 107.2 | 14.9 | 170 | 0 | 0 | 0 | 0 | 0 | 117.4 | P137 Q141 | P137-G139 PolarHBondContact O-N 3.12Å; P137-G139 VanDerWaalsContact O-N 3.14Å; G139-Q141 PolarHBondContact O-N 3.34Å |
| 140 | I | 59.1 | Low | 64.7 | Low | 130 Ų | 130 | 144.1 Ų | 144.1 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | -72.9 | 86.9 | 160.9 | -55.4 | -176.5 | 0 | 0 | 0 | 107.9 | P137 D142 | P137-I140 HydrophobicContact CB-CD1 4.25Å; P137-I140 HydrophobicContact CB-CG1 4.3Å; P137-I140 HydrophobicContact CG-CD1 3.31Å; P137-I140 HydrophobicContact CG-CG1 3.78Å; I140-D142 PolarHBondContact O-N 3.18Å; I140-D142 VanDerWaalsContact O-N 3.12Å | ||
| 141 | Q | 58.1 | Low | 63.4 | Low | 158 Ų | 158 | 150.8 Ų | 150.8 | 74% | 0.738 | 76% | 0.763 | S | S | * | * | trans | -61.6 | 109.7 | 150.9 | -81.3 | 179.5 | 8.9 | 0 | 0 | 105.7 | G139 Q143 | G139-Q141 PolarHBondContact O-N 3.34Å; Q141-Q143 HydrophobicContact CB-CG 4.45Å; Q141-Q143 PolarHBondContact O-N 2.86Å | ||
| 142 | D | 58.5 | Low | 62.1 | Low | 121 Ų | 121 | 154.5 Ų | 154.5 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | trans | -60.6 | 84.8 | 168.4 | -166.5 | 6.1 | 0 | 0 | 0 | 107 | I140 G144 | I140-D142 PolarHBondContact O-N 3.18Å; I140-D142 VanDerWaalsContact O-N 3.12Å; D142-G144 PolarHBondContact O-N 2.79Å | ||
| 143 | Q | 52.5 | Low | 61 | Low | 173 Ų | 173 | 155.3 Ų | 155.3 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | -71.3 | 79.9 | 178 | -78.5 | -162.9 | 2 | 0 | 0 | 108 | Q141 | Q141-Q143 HydrophobicContact CB-CG 4.45Å; Q141-Q143 PolarHBondContact O-N 2.86Å | ||
| 144 | G | 53 | Low | 59.4 | Low | 53 Ų | 53 | 157.1 Ų | 157.1 | 55% | 0.546 | 77% | 0.765 | S | S | . | * | trans | 66.7 | 86.1 | 165.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | D142 R146 | D142-G144 PolarHBondContact O-N 2.79Å; G144-R146 PolarHBondContact O-N 2.94Å | ||
| 145 | R | 52.4 | Low | 57.7 | Low | 222 Ų | 222 | 164.8 Ų | 164.8 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | trans | -54.8 | 91 | 130.9 | -96 | -176.1 | 173 | -175.8 | 0.1 | 107.6 | Q147 | R145-Q147 PolarHBondContact O-N 2.84Å; R145-Q147 VanDerWaalsContact O-N 3.09Å | ||
| 146 | R | 56.8 | Low | 56.8 | Low | 218 Ų | 218 | 165.6 Ų | 165.6 | 82% | 0.823 | 79% | 0.79 | S | S | * | * | trans | -39.1 | 118.7 | 173.7 | -75.7 | 175.1 | 172.2 | 178.1 | -2.6 | 107.9 | G144 H148 | G144-R146 PolarHBondContact O-N 2.94Å; R146-H148 PolarHBondContact O-N 3.24Å | ||
| 147 | Q | 53.3 | Low | 55.7 | Low | 179 Ų | 179 | 168.5 Ų | 168.5 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -50.8 | 85.6 | 164 | -67.7 | 175.8 | -15.6 | 0 | 0 | 109 | R145 R149 | R145-Q147 PolarHBondContact O-N 2.84Å; R145-Q147 VanDerWaalsContact O-N 3.09Å; Q147-R149 PolarHBondContact O-N 3.14Å | ||
| 148 | H | 49 | Very low | 54.3 | Low | 193 Ų | 193 | 172.9 Ų | 172.9 | 89% | 0.894 | 81% | 0.806 | S | S | * | * | trans | -78.9 | 51 | 163.4 | -116.4 | -96.3 | 0 | 0 | 0 | 108.8 | R146 | R146-H148 PolarHBondContact O-N 3.24Š| ||
| 149 | R | 56.4 | Low | 53.1 | Low | 229 Ų | 229 | 173.9 Ų | 173.9 | 86% | 0.864 | 80% | 0.798 | S | S | * | * | trans | -117.4 | 70.2 | 165.8 | -169 | -179.2 | 178.8 | 175 | -0.4 | 107.6 | Q147 | Q147-R149 PolarHBondContact O-N 3.14Š| ||
| 150 | K | 52 | Low | 52.1 | Low | 187 Ų | 187 | 180.3 Ų | 180.3 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | trans | -139.6 | 112.2 | 158.7 | -75.8 | -165.7 | 177.8 | 174.4 | 0 | 111.8 | ||||
| 151 | R | 52.6 | Low | 51.7 | Low | 199 Ų | 199 | 183.6 Ų | 183.6 | 75% | 0.751 | 81% | 0.81 | S | S | * | * | trans | 72.3 | 103.6 | 139.6 | -70.4 | 179.4 | 154 | -176.6 | -7.9 | 117.7 | ||||
| 152 | R | 47.4 | Very low | 51.2 | Low | 257 Ų | 257 | 185.4 Ų | 185.4 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | -123.1 | 102.3 | 115.7 | -78.4 | -170.9 | 159 | -166 | -6.4 | 109.4 | |||||
| 153 | Q | 49.4 | Very low | 50.6 | Low | 128 Ų | 128 | 190.4 Ų | 190.4 | 60% | 0.598 | 83% | 0.829 | S | S | * | * | trans | -77 | 144 | 156.4 | -91.5 | 177.5 | -11 | 0 | 0 | 107.6 | ||||
| 154 | Q | 43.1 | Very low | 50.5 | Low | 169 Ų | 169 | 191.8 Ų | 191.8 | 79% | 0.79 | 83% | 0.83 | S | S | * | * | trans | 64.2 | 104.5 | 146.6 | -63.2 | 170 | 7.7 | 0 | 0 | 117.6 | ||||
| 155 | H | 40.3 | Very low | 50.3 | Low | 268 Ų | 268 | 204.5 Ų | 204.5 | 100% | 1.241 | 86% | 0.856 | S | S | * | * | -155.1 | 0 | 98.5 | -124.6 | -178.5 | 0 | 0 | 0 | 110 |
Retrieved 155 of 155 residues in 87.4 ms
(Link to these results)