| 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 | 37.3 | Very low | 43.6 | Very low | 232 Ų | 232 | 137.2 Ų | 137.2 | 100% | 1.143 | 83% | 0.827 | S | S | * | * | 0 | 91.5 | 0 | -76.3 | 172.9 | 160.4 | 0 | 0 | 106.3 | |||||
| 2 | T | 43.8 | Very low | 43.6 | Very low | 122 Ų | 122 | 132.8 Ų | 132.8 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | 47.6 | 117.4 | 99.5 | 58.7 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 3 | S | 37.2 | Very low | 43.7 | Very low | 111 Ų | 111 | 131.2 Ų | 131.2 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | -156.6 | 142.8 | 71.1 | -63.2 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 4 | H | 42.1 | Very low | 43.9 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -71.9 | 129.8 | 163.4 | -61.4 | -94 | 0 | 0 | 0 | 109.1 | ||||
| 5 | S | 45.2 | Very low | 44.2 | Very low | 122 Ų | 122 | 128.1 Ų | 128.1 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -96.1 | 95.1 | 166.7 | -68.9 | 0 | 0 | 0 | 0 | 108.5 | S7 | S5-S7 PolarHBondContact O-N 3.05Š| ||
| 6 | T | 45.4 | Very low | 44.7 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -60.8 | 109.7 | 167.9 | -54.5 | 0 | 0 | 0 | 0 | 108.6 | A8 | T6-A8 PolarHBondContact O-N 3.08Å; T6-A8 VanDerWaalsContact O-N 3.12Å | ||
| 7 | S | 48.2 | Very low | 45.3 | Very low | 106 Ų | 106 | 122.7 Ų | 122.7 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | trans | -71.2 | 101.8 | 165.5 | 44.6 | 0 | 0 | 0 | 0 | 107.9 | S5 Q9 | S5-S7 PolarHBondContact O-N 3.05Å; S7-Q9 PolarHBondContact O-N 3.28Å | ||
| 8 | A | 46.1 | Very low | 45.7 | Very low | 85 Ų | 85 | 126.9 Ų | 126.9 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | trans | -59 | 109.9 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | T6 C10 | T6-A8 PolarHBondContact O-N 3.08Å; T6-A8 VanDerWaalsContact O-N 3.12Å; A8-C10 PolarHBondContact O-N 3.3Å | ||
| 9 | Q | 45 | Very low | 46.3 | Very low | 184 Ų | 184 | 123.8 Ų | 123.8 | 86% | 0.86 | 75% | 0.75 | S | S | * | * | trans | -67.6 | 109.1 | 165.8 | -71.7 | -175.9 | -33 | 0 | 0 | 107.3 | S7 S11 | S7-Q9 PolarHBondContact O-N 3.28Å; Q9-S11 PolarHBondContact O-N 3.09Å | ||
| 10 | C | 42.6 | Very low | 47.2 | Very low | 120 Ų | 120 | 120.1 Ų | 120.1 | 81% | 0.811 | 73% | 0.729 | S | S | * | * | trans | -66.1 | 103.5 | 166.5 | -63.2 | 0 | 0 | 0 | 0 | 107.5 | A8 A12 | A8-C10 PolarHBondContact O-N 3.3Å; C10-A12 PolarHBondContact O-N 2.9Å | ||
| 11 | S | 46.7 | Very low | 47.8 | Very low | 124 Ų | 124 | 119 Ų | 119 | 87% | 0.867 | 73% | 0.728 | S | S | * | * | trans | -63.8 | 81.5 | 161.5 | -90 | 0 | 0 | 0 | 0 | 108.8 | Q9 S13 | Q9-S11 PolarHBondContact O-N 3.09Å; S11-S13 PolarHBondContact O-N 3.12Å | ||
| 12 | A | 43.6 | Very low | 48.9 | Very low | 85 Ų | 85 | 115.6 Ų | 115.6 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | trans | -75.4 | 115.7 | 158 | 0 | 0 | 0 | 0 | 0 | 106.4 | C10 D14 | C10-A12 PolarHBondContact O-N 2.9Å; A12-D14 PolarHBondContact O-N 2.99Å | ||
| 13 | S | 44.8 | Very low | 49.8 | Very low | 112 Ų | 112 | 114.2 Ų | 114.2 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | trans | -58.6 | 99.6 | 173.6 | -76 | 0 | 0 | 0 | 0 | 109.7 | S11 S15 | S11-S13 PolarHBondContact O-N 3.12Å; S13-S15 PolarHBondContact O-N 3.41Å; S13-S15 VanDerWaalsContact O-N 3.15Å | ||
| 14 | D | 47 | Very low | 51.3 | Low | 106 Ų | 106 | 112.4 Ų | 112.4 | 57% | 0.567 | 68% | 0.675 | S | S | * | * | trans | -85.2 | 51.3 | 177 | -166.7 | 4.8 | 0 | 0 | 0 | 110.7 | A12 R18 | A12-D14 PolarHBondContact O-N 2.99Å; D14-R18 IonicContact OD1-NE 3.97Å; D14-R18 IonicContact OD2-CZ 3.06Å; D14-R18 IonicContact OD2-NE 2.64Å; D14-R18 PolarHBondContact OD2-NE 3.36Å; D14-R18 IonicContact OD2-NH2 2.62Å; D14-R18 PolarHBondContact OD2-NH2 2.92Å | ||
| 15 | S | 48.6 | Very low | 52.8 | Low | 110 Ų | 110 | 108.4 Ų | 108.4 | 77% | 0.769 | 67% | 0.666 | S | S | * | * | trans | -104.2 | 1.9 | 178.2 | 62.2 | 0 | 0 | 0 | 0 | 113.7 | S13 C17 | S13-S15 PolarHBondContact O-N 3.41Å; S13-S15 VanDerWaalsContact O-N 3.15Å; S15-C17 PolarHBondContact O-N 3.5Å | ||
| 16 | A | 51.2 | Low | 54.7 | Low | 83 Ų | 83 | 106.2 Ų | 106.2 | 69% | 0.686 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -87.3 | 99.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 17 | C | 55.7 | Low | 57 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 55% | 0.547 | 63% | 0.632 | S | S | . | * | trans | 72.3 | 45.4 | 155.4 | -66 | 0 | 0 | 0 | 0 | 119.6 | S15 I19 | S15-C17 PolarHBondContact O-N 3.5Å; C17-I19 VanDerWaalsContact C-N 3.26Å; C17-I19 PolarHBondContact O-N 3.21Å; C17-I19 VanDerWaalsContact O-N 3.11Å | ||
| 18 | R | 51.9 | Low | 59.3 | Low | 199 Ų | 199 | 101 Ų | 101 | 75% | 0.751 | 60% | 0.598 | S | S | * | * | trans | -81.8 | 73.2 | 155.8 | -64.7 | -169.3 | -175.3 | -149.5 | 4.3 | 110.6 | D14 S20 | D14-R18 IonicContact OD1-NE 3.97Å; D14-R18 IonicContact OD2-CZ 3.06Å; D14-R18 IonicContact OD2-NE 2.64Å; D14-R18 PolarHBondContact OD2-NE 3.36Å; D14-R18 IonicContact OD2-NH2 2.62Å; D14-R18 PolarHBondContact OD2-NH2 2.92Å; R18-S20 PolarHBondContact O-N 3.29Å | ||
| 19 | I | 57.4 | Low | 61.7 | Low | 67 Ų | 67 | 102.7 Ų | 102.7 | 34% | 0.344 | 59% | 0.586 | S | S | . | * | trans | -67.8 | 116.6 | 164.2 | -57.3 | -179.9 | 0 | 0 | 0 | 106.2 | C17 Q23 I24 Y100 | C17-I19 VanDerWaalsContact C-N 3.26Å; C17-I19 PolarHBondContact O-N 3.21Å; C17-I19 VanDerWaalsContact O-N 3.11Å; I19-Q23 HydrophobicContact CG2-CB 3.57Å; I19-I24 HydrophobicContact CG2-CG1 3.83Å; I19-Y100 HydrophobicContact CD1-CE1 4.2Å | ||
| 20 | S | 63.3 | Low | 64.2 | Low | 49 Ų | 49 | 94.3 Ų | 94.3 | 34% | 0.343 | 55% | 0.548 | S | S | . | . | trans | -65.8 | 151.2 | 178.2 | 64.8 | 0 | 0 | 0 | 0 | 110.8 | R18 E22 Q23 I24 | R18-S20 PolarHBondContact O-N 3.29Å; S20-E22 PolarHBondContact O-N 2.64Å; S20-E22 VanDerWaalsContact O-N 3.07Å; S20-Q23 WeakPolarHBondContact O-CB 3.5Å; S20-Q23 PolarHBondContact O-N 3.01Å; S20-Q23 PolarHBondContact OG-N 2.71Å; S20-I24 PolarHBondContact O-N 2.9Å | ||
| 21 | S | 59.8 | Low | 66.8 | Low | 99 Ų | 99 | 93.7 Ų | 93.7 | 69% | 0.692 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -55 | -28.1 | 176.1 | -57.2 | 0 | 0 | 0 | 0 | 112.8 | I24 S25 | S21-I24 PolarHBondContact O-N 3.11Å; S21-S25 PolarHBondContact O-N 3.03Å; S21-S25 PolarHBondContact O-OG 3.44Å; S21-S25 VanDerWaalsContact O-OG 3.1Å |
| 22 | E | 61.2 | Low | 69.2 | Low | 160 Ų | 160 | 93.3 Ų | 93.3 | 75% | 0.748 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.5 | -41.8 | 174.6 | -66 | 163.5 | 162.1 | 0 | 0 | 111.9 | S20 I24 S25 Q26 | S20-E22 PolarHBondContact O-N 2.64Å; S20-E22 VanDerWaalsContact O-N 3.07Å; E22-I24 VanDerWaalsContact C-N 3.29Å; E22-I24 PolarHBondContact O-N 2.88Å; E22-S25 PolarHBondContact O-N 3.4Å; E22-Q26 PolarHBondContact O-N 2.87Å |
| 23 | Q | 63.4 | Low | 71.8 | Confident | 93 Ų | 93 | 93.3 Ų | 93.3 | 44% | 0.435 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.5 | -30.4 | 174.6 | -101.8 | -179.9 | -76.3 | 0 | 0 | 113 | I19 S20 S25 Q26 M50 | I19-Q23 HydrophobicContact CG2-CB 3.57Å; S20-Q23 WeakPolarHBondContact O-CB 3.5Å; S20-Q23 PolarHBondContact O-N 3.01Å; S20-Q23 PolarHBondContact OG-N 2.71Å; Q23-S25 VanDerWaalsContact C-N 3.29Å; Q23-Q26 WeakPolarHBondContact O-CB 3.48Å; Q23-M50 WeakPolarHBondContact O-CG 3.48Å |
| 24 | I | 67.2 | Low | 74.3 | Confident | 73 Ų | 73 | 88 Ų | 88 | 37% | 0.374 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.5 | -32.9 | 176.6 | -63 | 176.6 | 0 | 0 | 0 | 111 | I19 S20 S21 E22 K51 | I19-I24 HydrophobicContact CG2-CG1 3.83Å; S20-I24 PolarHBondContact O-N 2.9Å; S21-I24 PolarHBondContact O-N 3.11Å; E22-I24 VanDerWaalsContact C-N 3.29Å; E22-I24 PolarHBondContact O-N 2.88Å; I24-K51 HydrophobicContact CG2-CB 4.06Å |
| 25 | S | 74 | Confident | 76.7 | Confident | 90 Ų | 90 | 83.8 Ų | 83.8 | 63% | 0.629 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -90.9 | -6.1 | -178.3 | -50.1 | 0 | 0 | 0 | 0 | 112.9 | S21 E22 Q23 Q27 | S21-S25 PolarHBondContact O-N 3.03Å; S21-S25 PolarHBondContact O-OG 3.44Å; S21-S25 VanDerWaalsContact O-OG 3.1Å; E22-S25 PolarHBondContact O-N 3.4Å; Q23-S25 VanDerWaalsContact C-N 3.29Å; S25-Q27 PolarHBondContact O-N 2.99Å |
| 26 | Q | 85.3 | Confident | 79.1 | Confident | 76 Ų | 76 | 83.7 Ų | 83.7 | 36% | 0.355 | 43% | 0.43 | S | S | . | . | trans | -67 | 128.4 | 179.2 | -172.2 | 165.9 | 40.1 | 0 | 0 | 110.7 | E22 Q23 T109 | E22-Q26 PolarHBondContact O-N 2.87Å; Q23-Q26 WeakPolarHBondContact O-CB 3.48Å; Q26-T109 HydrophobicContact CG-CG2 4.06Å | ||
| 27 | Q | 93.8 | Very high | 81.3 | Confident | 121 Ų | 121 | 79.7 Ų | 79.7 | 57% | 0.565 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 133.1 | 173.5 | -71.5 | -175.2 | 74.3 | 0 | 0 | 110.1 | S25 V47 F48 S110 | S25-Q27 PolarHBondContact O-N 2.99Å; Q27-V47 HydrophobicContact CB-CG1 3.84Å; Q27-V47 HydrophobicContact CG-CG1 4.16Å; Q27-V47 VanDerWaalsContact OE1-CG1 3.32Å; Q27-F48 CarbonylContact C-O 3.1Å; Q27-F48 WeakPolarHBondContact CA-O 3.32Å; Q27-S110 PolarHBondContact O-N 3.2Å; Q27-S110 VanDerWaalsContact O-N 3.12Å |
| 28 | V | 95.6 | Very high | 83.4 | Confident | 5 Ų | 5 | 75.9 Ų | 75.9 | 3% | 0.03 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 144.5 | -179.5 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | V47 F48 M50 V53 L107 V108 | V28-V47 WeakPolarHBondContact O-CA 3.28Å; V28-F48 WeakPolarHBondContact CG2-O 3.12Å; V28-F48 PolarHBondContact N-O 3.34Å; V28-F48 PolarHBondContact O-N 2.85Å; V28-M50 HydrophobicContact CG1-SD 4.12Å; V28-M50 HydrophobicContact CG2-SD 4.33Å; V28-V53 HydrophobicContact CG2-CG2 4.05Å; V28-L107 HydrophobicContact CB-CB 4.28Å; V28-L107 HydrophobicContact CB-CD1 4.4Å; V28-L107 HydrophobicContact CB-CD2 4.2Å; V28-L107 HydrophobicContact CG1-CB 4.47Å; V28-L107 HydrophobicContact CG1-CD1 4.46Å; V28-L107 HydrophobicContact CG2-CD1 4.13Å; V28-L107 HydrophobicContact CG2-CD2 3.95Å; V28-V108 CarbonylContact C-O 3.57Å; V28-V108 WeakPolarHBondContact CA-O 3.44Å |
| 29 | R | 97.5 | Very high | 85.6 | Confident | 119 Ų | 119 | 70.2 Ų | 70.2 | 45% | 0.449 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 108.9 | 173.3 | -174.4 | 178.7 | -109.2 | -98.1 | 1.5 | 109.1 | E46 V108 | R29-E46 IonicContact CZ-OE2 3.93Å; R29-E46 IonicContact NH1-OE2 3.86Å; R29-E46 PolarHBondContact NH1-OE2 3.4Å; R29-E46 IonicContact NH2-OE2 3.39Å; R29-E46 PolarHBondContact NH2-OE2 2.94Å; R29-V108 PolarHBondContact N-O 3.42Å; R29-V108 PolarHBondContact O-N 3.47Å |
| 30 | P | 97.6 | Very high | 87.5 | Confident | 9 Ų | 9 | 70.1 Ų | 70.1 | 6% | 0.058 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 143.4 | 176.4 | -21.3 | 33.3 | 0 | 0 | 0 | 112.6 | L34 L35 L38 E46 F48 N106 L107 | P30-L34 HydrophobicContact CB-CB 4.12Å; P30-L34 HydrophobicContact CB-CD2 4.03Å; P30-L34 HydrophobicContact CB-CG 3.99Å; P30-L35 HydrophobicContact CB-CB 4.34Å; P30-L38 HydrophobicContact CB-CD1 4.25Å; P30-L38 HydrophobicContact CG-CD1 3.69Å; P30-E46 WeakPolarHBondContact CD-O 3.44Å; P30-F48 HydrophobicContact CG-CD2 3.62Å; P30-F48 HydrophobicContact CG-CE2 4.05Å; P30-N106 CarbonylContact C-O 3.5Å; P30-N106 WeakPolarHBondContact CA-O 3.41Å; P30-L107 HydrophobicContact CB-CD2 3.99Å; P30-L107 HydrophobicContact CG-CD2 3.81Å |
| 31 | K | 97.7 | Very high | 89.1 | Confident | 107 Ų | 107 | 68.5 Ų | 68.5 | 47% | 0.465 | 35% | 0.353 | S | S | . | . | trans | -64.5 | 157.2 | 166.6 | -68.5 | -177.2 | -176.2 | 168.5 | 0 | 110.2 | Q33 L34 L35 K105 N106 | K31-Q33 VanDerWaalsContact C-N 3.26Å; K31-Q33 PolarHBondContact O-N 3.04Å; K31-Q33 VanDerWaalsContact O-N 3.07Å; K31-L34 PolarHBondContact O-N 2.91Å; K31-L35 PolarHBondContact O-N 2.74Å; K31-K105 WeakPolarHBondContact CE-O 3.4Å; K31-K105 PolarHBondContact NZ-O 3.48Å; K31-N106 PolarHBondContact N-O 3.05Å | ||
| 32 | L | 97.1 | Very high | 90.9 | Very high | 115 Ų | 115 | 66.2 Ų | 66.2 | 60% | 0.602 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -49.8 | -41.1 | -172.6 | -177.4 | 62.1 | 0 | 0 | 0 | 114.4 | L35 K36 | L32-L35 PolarHBondContact O-N 3.24Å; L32-K36 WeakPolarHBondContact O-CG 3.35Å; L32-K36 PolarHBondContact O-N 2.75Å |
| 33 | Q | 96.7 | Very high | 92.6 | Very high | 86 Ų | 86 | 58.9 Ų | 58.9 | 40% | 0.402 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -64.4 | -48.5 | -179.9 | -67.8 | -73.6 | -25.4 | 0 | 0 | 111.8 | K31 K36 I37 L81 L85 | K31-Q33 VanDerWaalsContact C-N 3.26Å; K31-Q33 PolarHBondContact O-N 3.04Å; K31-Q33 VanDerWaalsContact O-N 3.07Å; Q33-K36 PolarHBondContact O-N 3.47Å; Q33-I37 PolarHBondContact O-N 3.44Å; Q33-L81 VanDerWaalsContact OE1-CD1 3.27Å; Q33-L85 HydrophobicContact CB-CD1 3.8Å |
| 34 | L | 97.7 | Very high | 94.2 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.6 | -41 | 175.5 | -179.5 | 55.7 | 0 | 0 | 0 | 111.1 | P30 K31 K36 I37 L38 V53 L57 L85 M102 L103 N106 L107 | P30-L34 HydrophobicContact CB-CB 4.12Å; P30-L34 HydrophobicContact CB-CD2 4.03Å; P30-L34 HydrophobicContact CB-CG 3.99Å; K31-L34 PolarHBondContact O-N 2.91Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.8Å; L34-I37 WeakPolarHBondContact O-CB 3.4Å; L34-I37 PolarHBondContact O-N 3.06Å; L34-L38 HydrophobicContact CD1-CD2 4.38Å; L34-L38 HydrophobicContact CD1-CG 4.4Å; L34-L38 HydrophobicContact CG-CD1 4.38Å; L34-L38 HydrophobicContact CG-CG 4.44Å; L34-L38 WeakPolarHBondContact O-CG 3.25Å; L34-L38 PolarHBondContact O-N 2.7Å; L34-V53 HydrophobicContact CD2-CG1 4.44Å; L34-L57 HydrophobicContact CD1-CD1 4.42Å; L34-L57 HydrophobicContact CD1-CD2 4Å; L34-L85 HydrophobicContact CB-CD2 3.9Å; L34-L85 HydrophobicContact CD1-CD2 3.94Å; L34-L85 HydrophobicContact CG-CD2 4.47Å; L34-M102 HydrophobicContact CD1-CE 4.22Å; L34-M102 HydrophobicContact CD1-SD 4.2Å; L34-M102 HydrophobicContact CD2-SD 4.34Å; L34-L103 HydrophobicContact CD2-CD2 4.11Å; L34-N106 HydrophobicContact CB-CB 4.09Å; L34-N106 HydrophobicContact CD2-CB 3.82Å; L34-L107 HydrophobicContact CD2-CD2 3.67Å; L34-L107 HydrophobicContact CD2-CG 4.18Å |
| 35 | L | 98.1 | Very high | 95.6 | Very high | 18 Ų | 18 | 61.3 Ų | 61.3 | 9% | 0.094 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -57.7 | -41.6 | 178.7 | -172.2 | 62.6 | 0 | 0 | 0 | 112.3 | P30 K31 L32 I37 L38 H39 E46 F48 | P30-L35 HydrophobicContact CB-CB 4.34Å; K31-L35 PolarHBondContact O-N 2.74Å; L32-L35 PolarHBondContact O-N 3.24Å; L35-I37 VanDerWaalsContact C-N 3.31Å; L35-I37 PolarHBondContact O-N 2.89Å; L35-L38 PolarHBondContact O-N 3.39Å; L35-H39 WeakPolarHBondContact CD1-NE2 3.33Å; L35-H39 PolarHBondContact O-N 3.16Å; L35-E46 HydrophobicContact CD2-CG 4.43Å; L35-F48 HydrophobicContact CD1-CE2 3.64Å; L35-F48 HydrophobicContact CD1-CZ 4.17Å |
| 36 | K | 98.1 | Very high | 96.7 | Very high | 107 Ų | 107 | 61.5 Ų | 61.5 | 47% | 0.465 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.4 | -40.3 | 175.1 | -74.3 | 173.8 | 179.2 | -178.2 | 0 | 112.6 | L32 Q33 L34 A40 L81 | L32-K36 WeakPolarHBondContact O-CG 3.35Å; L32-K36 PolarHBondContact O-N 2.75Å; Q33-K36 PolarHBondContact O-N 3.47Å; L34-K36 VanDerWaalsContact C-N 3.3Å; L34-K36 PolarHBondContact O-N 2.8Å; K36-A40 VanDerWaalsContact O-CB 3.32Å; K36-A40 WeakPolarHBondContact O-CB 3.16Å; K36-A40 PolarHBondContact O-N 2.81Å; K36-L81 HydrophobicContact CB-CD2 4.12Å |
| 37 | I | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 60.7 Ų | 60.7 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -47.1 | 176.3 | -63.8 | 175.5 | 0 | 0 | 0 | 109.9 | Q33 L34 L35 H39 A40 A41 L57 Y60 L81 L82 L85 | Q33-I37 PolarHBondContact O-N 3.44Å; L34-I37 WeakPolarHBondContact O-CB 3.4Å; L34-I37 PolarHBondContact O-N 3.06Å; L35-I37 VanDerWaalsContact C-N 3.31Å; L35-I37 PolarHBondContact O-N 2.89Å; I37-H39 PolarHBondContact O-N 2.95Å; I37-A40 PolarHBondContact O-N 2.91Å; I37-A41 PolarHBondContact O-N 3.36Å; I37-A41 VanDerWaalsContact O-N 3.1Å; I37-L57 HydrophobicContact CG2-CD2 3.89Å; I37-Y60 HydrophobicContact CB-CD2 4.46Å; I37-Y60 HydrophobicContact CB-CE2 4.41Å; I37-Y60 HydrophobicContact CG2-CD1 3.78Å; I37-Y60 HydrophobicContact CG2-CD2 3.6Å; I37-Y60 HydrophobicContact CG2-CE1 4.05Å; I37-Y60 HydrophobicContact CG2-CE2 3.88Å; I37-Y60 HydrophobicContact CG2-CG 3.53Å; I37-Y60 WeakPolarHBondContact O-CD2 3.33Å; I37-L81 HydrophobicContact CD1-CB 4.45Å; I37-L81 HydrophobicContact CD1-CD2 4.34Å; I37-L81 HydrophobicContact CD1-CG 4.06Å; I37-L81 HydrophobicContact CG1-CB 4.3Å; I37-L81 HydrophobicContact CG1-CD2 3.62Å; I37-L81 HydrophobicContact CG1-CG 3.87Å; I37-L82 HydrophobicContact CD1-CB 4.35Å; I37-L82 HydrophobicContact CD1-CD1 4.32Å; I37-L85 HydrophobicContact CD1-CB 4.4Å; I37-L85 HydrophobicContact CD1-CD2 3.73Å |
| 38 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 179.8 | -56.7 | 177.7 | 0 | 0 | 0 | 111.3 | P30 L34 L35 A41 G42 A43 F48 V53 L57 | P30-L38 HydrophobicContact CB-CD1 4.25Å; P30-L38 HydrophobicContact CG-CD1 3.69Å; L34-L38 HydrophobicContact CD1-CD2 4.38Å; L34-L38 HydrophobicContact CD1-CG 4.4Å; L34-L38 HydrophobicContact CG-CD1 4.38Å; L34-L38 HydrophobicContact CG-CG 4.44Å; L34-L38 WeakPolarHBondContact O-CG 3.25Å; L34-L38 PolarHBondContact O-N 2.7Å; L35-L38 PolarHBondContact O-N 3.39Å; L38-A41 CarbonylContact O-C 3.49Å; L38-A41 WeakPolarHBondContact O-CA 3.3Å; L38-A41 WeakPolarHBondContact O-CB 3.22Å; L38-A41 PolarHBondContact O-N 3.4Å; L38-A41 VanDerWaalsContact O-N 3.08Å; L38-G42 PolarHBondContact O-N 3.47Å; L38-A43 VanDerWaalsContact C-CB 3.49Å; L38-A43 HydrophobicContact CB-CB 3.8Å; L38-A43 WeakPolarHBondContact O-CB 3.35Å; L38-A43 PolarHBondContact O-N 3.06Å; L38-F48 HydrophobicContact CD1-CD2 4.12Å; L38-F48 HydrophobicContact CD1-CE2 4.08Å; L38-F48 HydrophobicContact CD1-CZ 4.48Å; L38-V53 HydrophobicContact CD1-CG2 4.25Å; L38-V53 HydrophobicContact CD2-CG1 4.37Å; L38-L57 HydrophobicContact CD2-CG 4.1Å |
| 39 | H | 98.4 | Very high | 97.4 | Very high | 80 Ų | 80 | 56.6 Ų | 56.6 | 37% | 0.37 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 176.5 | -70.3 | 174.5 | 0 | 0 | 0 | 112.5 | L35 I37 A41 G42 A43 G45 | L35-H39 WeakPolarHBondContact CD1-NE2 3.33Å; L35-H39 PolarHBondContact O-N 3.16Å; I37-H39 PolarHBondContact O-N 2.95Å; H39-A41 PolarHBondContact O-N 3.43Å; H39-G42 PolarHBondContact O-N 3.32Å; H39-A43 PolarHBondContact CD2-O 3.04Å; H39-G45 PolarHBondContact NE2-O 3.21Å |
| 40 | A | 97.8 | Very high | 97.2 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.6 | -22.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | K36 I37 Y60 | K36-A40 VanDerWaalsContact O-CB 3.32Å; K36-A40 WeakPolarHBondContact O-CB 3.16Å; K36-A40 PolarHBondContact O-N 2.81Å; I37-A40 PolarHBondContact O-N 2.91Å; A40-Y60 HydrophobicContact CB-CD2 4.06Å; A40-Y60 HydrophobicContact CB-CE2 3.82Å |
| 41 | A | 97.7 | Very high | 97 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 13% | 0.132 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | 0.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | I37 L38 H39 Y56 Q59 Y60 | I37-A41 PolarHBondContact O-N 3.36Å; I37-A41 VanDerWaalsContact O-N 3.1Å; L38-A41 CarbonylContact O-C 3.49Å; L38-A41 WeakPolarHBondContact O-CA 3.3Å; L38-A41 WeakPolarHBondContact O-CB 3.22Å; L38-A41 PolarHBondContact O-N 3.4Å; L38-A41 VanDerWaalsContact O-N 3.08Å; H39-A41 PolarHBondContact O-N 3.43Å; A41-Y56 HydrophobicContact CB-CD1 4.37Å; A41-Y56 VanDerWaalsContact CB-O 3.23Å; A41-Y56 WeakPolarHBondContact CB-O 3.38Å; A41-Q59 HydrophobicContact CB-CB 4.18Å; A41-Y60 HydrophobicContact CB-CD2 4.46Å |
| 42 | G | 97.2 | Very high | 97 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 52% | 0.515 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.3 | 7.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | L38 H39 | L38-G42 PolarHBondContact O-N 3.47Å; H39-G42 PolarHBondContact O-N 3.32Å |
| 43 | A | 97.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 52.6 Ų | 52.6 | 5% | 0.05 | 29% | 0.29 | C | S | . | . | trans | -67.4 | 151.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L38 H39 F48 Y56 | L38-A43 VanDerWaalsContact C-CB 3.49Å; L38-A43 HydrophobicContact CB-CB 3.8Å; L38-A43 WeakPolarHBondContact O-CB 3.35Å; L38-A43 PolarHBondContact O-N 3.06Å; H39-A43 PolarHBondContact CD2-O 3.04Å; A43-F48 HydrophobicContact CB-CE1 3.81Å; A43-F48 HydrophobicContact CB-CZ 4.03Å; A43-Y56 HydrophobicContact CB-CD1 3.83Å; A43-Y56 HydrophobicContact CB-CD2 3.6Å; A43-Y56 HydrophobicContact CB-CE1 3.82Å; A43-Y56 HydrophobicContact CB-CE2 3.61Å; A43-Y56 HydrophobicContact CB-CG 3.73Å | ||
| 44 | Q | 96.7 | Very high | 96.9 | Very high | 171 Ų | 171 | 51.7 Ų | 51.7 | 80% | 0.799 | 29% | 0.286 | S | S | * | . | trans | -128.3 | 153.1 | 175.1 | -62.5 | -177.3 | 4.2 | 0 | 0 | 110.2 | F48 | Q44-F48 WeakPolarHBondContact O-CE1 3.47Š| ||
| 45 | G | 96.1 | Very high | 96.8 | Very high | 47 Ų | 47 | 56.6 Ų | 56.6 | 49% | 0.485 | 31% | 0.309 | S | S | . | . | S | Bend | trans | 84 | -172.1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | H39 | H39-G45 PolarHBondContact NE2-O 3.21Š|
| 46 | E | 96.9 | Very high | 96.8 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 44% | 0.439 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -123.9 | -8.7 | -174 | -57.7 | -170.1 | 161.9 | 0 | 0 | 113.5 | R29 P30 L35 | R29-E46 IonicContact CZ-OE2 3.93Å; R29-E46 IonicContact NH1-OE2 3.86Å; R29-E46 PolarHBondContact NH1-OE2 3.4Å; R29-E46 IonicContact NH2-OE2 3.39Å; R29-E46 PolarHBondContact NH2-OE2 2.94Å; P30-E46 WeakPolarHBondContact CD-O 3.44Å; L35-E46 HydrophobicContact CD2-CG 4.43Å |
| 47 | V | 96.9 | Very high | 96.8 | Very high | 59 Ų | 59 | 53.5 Ų | 53.5 | 36% | 0.358 | 29% | 0.294 | S | S | . | . | trans | -122.8 | 134.7 | -178.2 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | Q27 V28 | Q27-V47 HydrophobicContact CB-CG1 3.84Å; Q27-V47 HydrophobicContact CG-CG1 4.16Å; Q27-V47 VanDerWaalsContact OE1-CG1 3.32Å; V28-V47 WeakPolarHBondContact O-CA 3.28Å | ||
| 48 | F | 96.9 | Very high | 96.7 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 165.4 | -175.4 | -58.5 | -84.3 | 0 | 0 | 0 | 109.9 | Q27 V28 P30 L35 L38 A43 Q44 E52 V53 Y56 | Q27-F48 CarbonylContact C-O 3.1Å; Q27-F48 WeakPolarHBondContact CA-O 3.32Å; V28-F48 WeakPolarHBondContact CG2-O 3.12Å; V28-F48 PolarHBondContact N-O 3.34Å; V28-F48 PolarHBondContact O-N 2.85Å; P30-F48 HydrophobicContact CG-CD2 3.62Å; P30-F48 HydrophobicContact CG-CE2 4.05Å; L35-F48 HydrophobicContact CD1-CE2 3.64Å; L35-F48 HydrophobicContact CD1-CZ 4.17Å; L38-F48 HydrophobicContact CD1-CD2 4.12Å; L38-F48 HydrophobicContact CD1-CE2 4.08Å; L38-F48 HydrophobicContact CD1-CZ 4.48Å; A43-F48 HydrophobicContact CB-CE1 3.81Å; A43-F48 HydrophobicContact CB-CZ 4.03Å; Q44-F48 WeakPolarHBondContact O-CE1 3.47Å; F48-E52 WeakPolarHBondContact CA-OE2 3.39Å; F48-E52 HydrophobicContact CB-CB 4.19Å; F48-E52 HydrophobicContact CD1-CB 4.23Å; F48-V53 HydrophobicContact CB-CG2 3.78Å; F48-V53 HydrophobicContact CG-CG2 4.42Å; F48-Y56 HydrophobicContact CD1-CE2 4.39Å; F48-Y56 HydrophobicContact CE1-CE2 4.3Å |
| 49 | T | 95.6 | Very high | 96.7 | Very high | 33 Ų | 33 | 58.3 Ų | 58.3 | 20% | 0.202 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 160.5 | 161.9 | 59.6 | 0 | 0 | 0 | 0 | 110.6 | K51 E52 V53 | T49-K51 PolarHBondContact O-N 3.36Å; T49-E52 WeakPolarHBondContact CB-OE2 3.34Å; T49-E52 PolarHBondContact N-OE2 2.94Å; T49-E52 PolarHBondContact O-N 3.14Å; T49-E52 VanDerWaalsContact O-N 3.13Å; T49-E52 VanDerWaalsContact OG1-CG 3.31Å; T49-E52 WeakPolarHBondContact OG1-CG 3.43Å; T49-E52 PolarHBondContact OG1-N 2.79Å; T49-E52 PolarHBondContact OG1-OE2 3.31Å; T49-V53 WeakPolarHBondContact O-CG2 3.32Å; T49-V53 PolarHBondContact O-N 3.08Å |
| 50 | M | 93.2 | Very high | 96.7 | Very high | 36 Ų | 36 | 54.8 Ų | 54.8 | 18% | 0.177 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -54.8 | -36.5 | 171 | -72.2 | -57.4 | -57.4 | 0 | 0 | 112 | Q23 V28 V53 M54 L103 L107 | Q23-M50 WeakPolarHBondContact O-CG 3.48Å; V28-M50 HydrophobicContact CG1-SD 4.12Å; V28-M50 HydrophobicContact CG2-SD 4.33Å; M50-V53 PolarHBondContact O-N 3.1Å; M50-M54 VanDerWaalsContact O-CG 3.24Å; M50-M54 WeakPolarHBondContact O-CG 3.37Å; M50-M54 PolarHBondContact O-N 2.99Å; M50-L103 HydrophobicContact CE-CD1 3.98Å; M50-L107 HydrophobicContact CE-CD1 3.87Å; M50-L107 HydrophobicContact SD-CD1 3.36Å; M50-L107 WeakPolarHBondContact SD-CD1 3.5Å |
| 51 | K | 94.2 | Very high | 96.7 | Very high | 149 Ų | 149 | 52.7 Ų | 52.7 | 65% | 0.648 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -61.8 | -46.6 | 176.8 | -176 | -179.4 | 176.5 | -174.8 | 0 | 112.1 | I24 T49 M54 H55 | I24-K51 HydrophobicContact CG2-CB 4.06Å; T49-K51 PolarHBondContact O-N 3.36Å; K51-M54 PolarHBondContact O-N 3.37Å; K51-H55 WeakPolarHBondContact O-CB 3.4Å; K51-H55 PolarHBondContact O-N 3.34Å |
| 52 | E | 96.6 | Very high | 96.7 | Very high | 81 Ų | 81 | 57.5 Ų | 57.5 | 38% | 0.379 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | 178.8 | -73.9 | 162 | 143.1 | 0 | 0 | 111.4 | F48 T49 M54 H55 Y56 | F48-E52 WeakPolarHBondContact CA-OE2 3.39Å; F48-E52 HydrophobicContact CB-CB 4.19Å; F48-E52 HydrophobicContact CD1-CB 4.23Å; T49-E52 WeakPolarHBondContact CB-OE2 3.34Å; T49-E52 PolarHBondContact N-OE2 2.94Å; T49-E52 PolarHBondContact O-N 3.14Å; T49-E52 VanDerWaalsContact O-N 3.13Å; T49-E52 VanDerWaalsContact OG1-CG 3.31Å; T49-E52 WeakPolarHBondContact OG1-CG 3.43Å; T49-E52 PolarHBondContact OG1-N 2.79Å; T49-E52 PolarHBondContact OG1-OE2 3.31Å; E52-M54 VanDerWaalsContact C-N 3.33Å; E52-M54 PolarHBondContact O-N 3.46Å; E52-H55 WeakPolarHBondContact O-CB 3.41Å; E52-H55 PolarHBondContact O-N 2.86Å; E52-Y56 HydrophobicContact CB-CD2 4.31Å; E52-Y56 HydrophobicContact CB-CE2 4.25Å; E52-Y56 WeakPolarHBondContact O-CD2 3.21Å; E52-Y56 PolarHBondContact O-N 3.31Å |
| 53 | V | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 176.2 | 174.7 | 0 | 0 | 0 | 0 | 110.8 | V28 L34 L38 F48 T49 M50 H55 Y56 L57 L103 L107 | V28-V53 HydrophobicContact CG2-CG2 4.05Å; L34-V53 HydrophobicContact CD2-CG1 4.44Å; L38-V53 HydrophobicContact CD1-CG2 4.25Å; L38-V53 HydrophobicContact CD2-CG1 4.37Å; F48-V53 HydrophobicContact CB-CG2 3.78Å; F48-V53 HydrophobicContact CG-CG2 4.42Å; T49-V53 WeakPolarHBondContact O-CG2 3.32Å; T49-V53 PolarHBondContact O-N 3.08Å; M50-V53 PolarHBondContact O-N 3.1Å; V53-H55 VanDerWaalsContact C-N 3.35Å; V53-H55 PolarHBondContact O-N 3.13Å; V53-Y56 PolarHBondContact O-N 3.35Å; V53-L57 HydrophobicContact CG1-CD1 3.87Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.97Å; V53-L103 HydrophobicContact CG1-CD2 3.51Å; V53-L107 HydrophobicContact CG2-CD2 4.23Å |
| 54 | M | 95.3 | Very high | 96.6 | Very high | 66 Ų | 66 | 64.6 Ų | 64.6 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.8 | -41.6 | 177.4 | -69.1 | -65.1 | -69.9 | 0 | 0 | 112.1 | M50 K51 E52 L57 G58 L99 Y100 L103 | M50-M54 VanDerWaalsContact O-CG 3.24Å; M50-M54 WeakPolarHBondContact O-CG 3.37Å; M50-M54 PolarHBondContact O-N 2.99Å; K51-M54 PolarHBondContact O-N 3.37Å; E52-M54 VanDerWaalsContact C-N 3.33Å; E52-M54 PolarHBondContact O-N 3.46Å; M54-L57 PolarHBondContact O-N 2.75Å; M54-G58 PolarHBondContact O-N 3.24Å; M54-G58 VanDerWaalsContact O-N 3.09Å; M54-L99 HydrophobicContact CE-CD2 3.67Å; M54-L99 HydrophobicContact SD-CD2 3.89Å; M54-Y100 HydrophobicContact CE-CE1 4.49Å; M54-L103 HydrophobicContact SD-CD1 3.61Å |
| 55 | H | 96.5 | Very high | 96.7 | Very high | 104 Ų | 104 | 62.7 Ų | 62.7 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.4 | -52.9 | 177.6 | 176.1 | 68.8 | 0 | 0 | 0 | 111.6 | K51 E52 V53 L57 G58 Q59 | K51-H55 WeakPolarHBondContact O-CB 3.4Å; K51-H55 PolarHBondContact O-N 3.34Å; E52-H55 WeakPolarHBondContact O-CB 3.41Å; E52-H55 PolarHBondContact O-N 2.86Å; V53-H55 VanDerWaalsContact C-N 3.35Å; V53-H55 PolarHBondContact O-N 3.13Å; H55-L57 VanDerWaalsContact C-N 3.33Å; H55-L57 PolarHBondContact O-N 3.45Å; H55-G58 PolarHBondContact O-N 3.07Å; H55-G58 VanDerWaalsContact O-N 3.15Å; H55-Q59 WeakPolarHBondContact O-CG 3.11Å; H55-Q59 PolarHBondContact O-N 2.9Å |
| 56 | Y | 98.5 | Very high | 96.8 | Very high | 55 Ų | 55 | 61.6 Ų | 61.6 | 22% | 0.216 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -67.8 | -30.6 | -178.7 | -73.2 | -61.5 | 0 | 0 | 0 | 113.2 | A41 A43 F48 E52 V53 Q59 Y60 | A41-Y56 HydrophobicContact CB-CD1 4.37Å; A41-Y56 VanDerWaalsContact CB-O 3.23Å; A41-Y56 WeakPolarHBondContact CB-O 3.38Å; A43-Y56 HydrophobicContact CB-CD1 3.83Å; A43-Y56 HydrophobicContact CB-CD2 3.6Å; A43-Y56 HydrophobicContact CB-CE1 3.82Å; A43-Y56 HydrophobicContact CB-CE2 3.61Å; A43-Y56 HydrophobicContact CB-CG 3.73Å; F48-Y56 HydrophobicContact CD1-CE2 4.39Å; F48-Y56 HydrophobicContact CE1-CE2 4.3Å; E52-Y56 HydrophobicContact CB-CD2 4.31Å; E52-Y56 HydrophobicContact CB-CE2 4.25Å; E52-Y56 WeakPolarHBondContact O-CD2 3.21Å; E52-Y56 PolarHBondContact O-N 3.31Å; V53-Y56 PolarHBondContact O-N 3.35Å; Y56-Q59 PolarHBondContact O-N 3.43Å; Y56-Y60 WeakPolarHBondContact O-CB 3.42Å; Y56-Y60 PolarHBondContact O-N 2.87Å |
| 57 | L | 97.5 | Very high | 96.8 | Very high | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64 | -42.1 | 170.5 | -77.5 | 167.6 | 0 | 0 | 0 | 111.9 | L34 I37 L38 V53 M54 H55 Y60 I61 L82 L99 M102 L103 | L34-L57 HydrophobicContact CD1-CD1 4.42Å; L34-L57 HydrophobicContact CD1-CD2 4Å; I37-L57 HydrophobicContact CG2-CD2 3.89Å; L38-L57 HydrophobicContact CD2-CG 4.1Å; V53-L57 HydrophobicContact CG1-CD1 3.87Å; V53-L57 WeakPolarHBondContact O-CB 3.45Å; V53-L57 WeakPolarHBondContact O-CG 3.45Å; V53-L57 PolarHBondContact O-N 2.97Å; M54-L57 PolarHBondContact O-N 2.75Å; H55-L57 VanDerWaalsContact C-N 3.33Å; H55-L57 PolarHBondContact O-N 3.45Å; L57-Y60 PolarHBondContact O-N 3Å; L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.49Å; L57-I61 VanDerWaalsContact O-N 3.13Å; L57-L82 HydrophobicContact CD2-CD1 4.07Å; L57-L99 HydrophobicContact CD1-CD1 4.09Å; L57-M102 HydrophobicContact CD1-CE 4.02Å; L57-M102 HydrophobicContact CD2-CE 4.42Å; L57-L103 HydrophobicContact CD1-CD2 3.84Å |
| 58 | G | 96.7 | Very high | 96.9 | Very high | 30 Ų | 30 | 60 Ų | 60 | 31% | 0.309 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | M54 H55 Y60 I61 M62 | M54-G58 PolarHBondContact O-N 3.24Å; M54-G58 VanDerWaalsContact O-N 3.09Å; H55-G58 PolarHBondContact O-N 3.07Å; H55-G58 VanDerWaalsContact O-N 3.15Å; G58-Y60 PolarHBondContact O-N 3.41Å; G58-I61 PolarHBondContact O-N 2.89Å; G58-M62 WeakPolarHBondContact O-CG 3.45Å; G58-M62 PolarHBondContact O-N 3.19Å |
| 59 | Q | 98.3 | Very high | 96.8 | Very high | 72 Ų | 72 | 66.9 Ų | 66.9 | 34% | 0.336 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 176.9 | -66.2 | -60.2 | 101.4 | 0 | 0 | 112.4 | A41 H55 Y56 I61 M62 V63 | A41-Q59 HydrophobicContact CB-CB 4.18Å; H55-Q59 WeakPolarHBondContact O-CG 3.11Å; H55-Q59 PolarHBondContact O-N 2.9Å; Y56-Q59 PolarHBondContact O-N 3.43Å; Q59-I61 PolarHBondContact O-N 3.04Å; Q59-M62 PolarHBondContact O-N 3.05Å; Q59-V63 WeakPolarHBondContact O-CB 3.04Å; Q59-V63 WeakPolarHBondContact O-CG2 3.21Å; Q59-V63 PolarHBondContact O-N 2.94Å |
| 60 | Y | 98.4 | Very high | 96.9 | Very high | 5 Ų | 5 | 74.1 Ų | 74.1 | 2% | 0.02 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.7 | -48 | 177.3 | -175.6 | -94.8 | 0 | 0 | 0 | 111.7 | I37 A40 A41 Y56 L57 G58 M62 V63 K64 L66 D80 L82 | I37-Y60 HydrophobicContact CB-CD2 4.46Å; I37-Y60 HydrophobicContact CB-CE2 4.41Å; I37-Y60 HydrophobicContact CG2-CD1 3.78Å; I37-Y60 HydrophobicContact CG2-CD2 3.6Å; I37-Y60 HydrophobicContact CG2-CE1 4.05Å; I37-Y60 HydrophobicContact CG2-CE2 3.88Å; I37-Y60 HydrophobicContact CG2-CG 3.53Å; I37-Y60 WeakPolarHBondContact O-CD2 3.33Å; A40-Y60 HydrophobicContact CB-CD2 4.06Å; A40-Y60 HydrophobicContact CB-CE2 3.82Å; A41-Y60 HydrophobicContact CB-CD2 4.46Å; Y56-Y60 WeakPolarHBondContact O-CB 3.42Å; Y56-Y60 PolarHBondContact O-N 2.87Å; L57-Y60 PolarHBondContact O-N 3Å; G58-Y60 PolarHBondContact O-N 3.41Å; Y60-M62 VanDerWaalsContact C-N 3.31Å; Y60-M62 PolarHBondContact O-N 3.49Å; Y60-V63 PolarHBondContact O-N 3.41Å; Y60-K64 HydrophobicContact CE1-CD 3.91Å; Y60-K64 HydrophobicContact CE2-CD 4.09Å; Y60-K64 WeakPolarHBondContact O-CB 3.23Å; Y60-K64 PolarHBondContact O-N 3.09Å; Y60-K64 WeakPolarHBondContact OH-CE 3.44Å; Y60-K64 PolarHBondContact OH-NZ 3.2Å; Y60-L66 HydrophobicContact CD1-CD1 4.26Å; Y60-L66 HydrophobicContact CE1-CD1 3.95Å; Y60-D80 WeakPolarHBondContact CE1-OD1 3.44Å; Y60-D80 VanDerWaalsContact OH-CG 3.26Å; Y60-D80 PolarHBondContact OH-OD1 3.24Å; Y60-D80 PolarHBondContact OH-OD2 3.01Å; Y60-L82 HydrophobicContact CD1-CB 4.43Å; Y60-L82 HydrophobicContact CD1-CD2 4.25Å; Y60-L82 HydrophobicContact CE1-CB 3.88Å; Y60-L82 HydrophobicContact CE1-CD2 4.43Å |
| 61 | I | 97.7 | Very high | 97 | Very high | 22 Ų | 22 | 77.3 Ų | 77.3 | 11% | 0.113 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.5 | -42.8 | 177.3 | -69.7 | 164.3 | 0 | 0 | 0 | 110.7 | L57 G58 Q59 Q65 L66 V75 L82 F91 | L57-I61 WeakPolarHBondContact O-CG1 3.37Å; L57-I61 PolarHBondContact O-N 3.49Å; L57-I61 VanDerWaalsContact O-N 3.13Å; G58-I61 PolarHBondContact O-N 2.89Å; Q59-I61 PolarHBondContact O-N 3.04Å; I61-Q65 WeakPolarHBondContact O-CA 3.39Å; I61-Q65 PolarHBondContact O-N 3.3Å; I61-L66 HydrophobicContact CG2-CB 4.26Å; I61-L66 PolarHBondContact O-N 3.48Å; I61-V75 HydrophobicContact CD1-CG1 4.36Å; I61-V75 HydrophobicContact CD1-CG2 4.34Å; I61-V75 HydrophobicContact CG1-CG1 4.29Å; I61-V75 HydrophobicContact CG2-CG1 4.22Å; I61-V75 HydrophobicContact CG2-CG2 4.05Å; I61-L82 HydrophobicContact CD1-CD2 4.06Å; I61-L82 HydrophobicContact CG1-CD2 3.65Å; I61-F91 HydrophobicContact CD1-CZ 4.05Å |
| 62 | M | 96.9 | Very high | 97.1 | Very high | 117 Ų | 117 | 76.8 Ų | 76.8 | 58% | 0.576 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.6 | -49.5 | 178.9 | -72 | -176.6 | 62.8 | 0 | 0 | 112.6 | G58 Q59 Y60 K64 Q65 | G58-M62 WeakPolarHBondContact O-CG 3.45Å; G58-M62 PolarHBondContact O-N 3.19Å; Q59-M62 PolarHBondContact O-N 3.05Å; Y60-M62 VanDerWaalsContact C-N 3.31Å; Y60-M62 PolarHBondContact O-N 3.49Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.15Å; M62-Q65 PolarHBondContact O-N 2.62Å; M62-Q65 VanDerWaalsContact O-N 3.08Å |
| 63 | V | 96.6 | Very high | 97 | Very high | 104 Ų | 104 | 75.1 Ų | 75.1 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.7 | -39.6 | -177.8 | 169.2 | 0 | 0 | 0 | 0 | 111.2 | Q59 Y60 Q65 | Q59-V63 WeakPolarHBondContact O-CB 3.04Å; Q59-V63 WeakPolarHBondContact O-CG2 3.21Å; Q59-V63 PolarHBondContact O-N 2.94Å; Y60-V63 PolarHBondContact O-N 3.41Å; V63-Q65 VanDerWaalsContact C-N 3.3Å |
| 64 | K | 97.6 | Very high | 97.1 | Very high | 100 Ų | 100 | 76.7 Ų | 76.7 | 44% | 0.435 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -3.4 | 176.8 | -73.3 | -152.9 | 173 | -169.6 | 0 | 114.6 | Y60 M62 L66 D80 | Y60-K64 HydrophobicContact CE1-CD 3.91Å; Y60-K64 HydrophobicContact CE2-CD 4.09Å; Y60-K64 WeakPolarHBondContact O-CB 3.23Å; Y60-K64 PolarHBondContact O-N 3.09Å; Y60-K64 WeakPolarHBondContact OH-CE 3.44Å; Y60-K64 PolarHBondContact OH-NZ 3.2Å; M62-K64 VanDerWaalsContact C-N 3.31Å; M62-K64 PolarHBondContact O-N 3.15Å; K64-L66 HydrophobicContact CB-CD1 4.17Å; K64-L66 HydrophobicContact CB-CD2 4.05Å; K64-L66 HydrophobicContact CB-CG 3.7Å; K64-L66 PolarHBondContact O-N 2.99Å; K64-D80 VanDerWaalsContact CD-OD2 3.25Å; K64-D80 WeakPolarHBondContact CD-OD2 3.35Å; K64-D80 IonicContact NZ-OD2 2.78Å; K64-D80 PolarHBondContact NZ-OD2 3.28Å |
| 65 | Q | 97.6 | Very high | 97.2 | Very high | 132 Ų | 132 | 73.7 Ų | 73.7 | 62% | 0.617 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 42.6 | -176.9 | -55.6 | -177.4 | 20.1 | 0 | 0 | 112.5 | I61 M62 V63 Y67 | I61-Q65 WeakPolarHBondContact O-CA 3.39Å; I61-Q65 PolarHBondContact O-N 3.3Å; M62-Q65 PolarHBondContact O-N 2.62Å; M62-Q65 VanDerWaalsContact O-N 3.08Å; V63-Q65 VanDerWaalsContact C-N 3.3Å; Q65-Y67 HydrophobicContact CB-CE1 4.39Å; Q65-Y67 PolarHBondContact O-N 2.78Å |
| 66 | L | 97.9 | Very high | 97.3 | Very high | 24 Ų | 24 | 74 Ų | 74 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | trans | -76.6 | -2.8 | -179.9 | -59.7 | 178.5 | 0 | 0 | 0 | 112.7 | Y60 I61 K64 V75 Y76 C77 D80 L82 | Y60-L66 HydrophobicContact CD1-CD1 4.26Å; Y60-L66 HydrophobicContact CE1-CD1 3.95Å; I61-L66 HydrophobicContact CG2-CB 4.26Å; I61-L66 PolarHBondContact O-N 3.48Å; K64-L66 HydrophobicContact CB-CD1 4.17Å; K64-L66 HydrophobicContact CB-CD2 4.05Å; K64-L66 HydrophobicContact CB-CG 3.7Å; K64-L66 PolarHBondContact O-N 2.99Å; L66-V75 HydrophobicContact CB-CG1 3.92Å; L66-V75 CarbonylContact O-C 3.46Å; L66-V75 VanDerWaalsContact O-CA 3.28Å; L66-V75 WeakPolarHBondContact O-CA 3.42Å; L66-Y76 PolarHBondContact O-N 3.32Å; L66-C77 HydrophobicContact CD1-CB 4.36Å; L66-D80 HydrophobicContact CD1-CB 4.46Å; L66-D80 HydrophobicContact CD2-CB 4.44Å; L66-L82 HydrophobicContact CD1-CD2 4.08Å | ||
| 67 | Y | 97.9 | Very high | 97.2 | Very high | 73 Ų | 73 | 71.5 Ų | 71.5 | 29% | 0.286 | 35% | 0.345 | S | S | . | . | B | Isolated β-bridge | trans | -88.9 | 151.3 | 179 | 63.4 | -88.4 | 0 | 0 | 0 | 111.4 | Q65 Q72 M74 | Q65-Y67 HydrophobicContact CB-CE1 4.39Å; Q65-Y67 PolarHBondContact O-N 2.78Å; Y67-Q72 HydrophobicContact CD2-CG 4.27Å; Y67-M74 CarbonylContact C-O 3.57Å; Y67-M74 VanDerWaalsContact CA-O 3.32Å; Y67-M74 WeakPolarHBondContact CA-O 3.43Å |
| 68 | D | 98.1 | Very high | 97.2 | Very high | 45 Ų | 45 | 73.6 Ų | 73.6 | 24% | 0.241 | 37% | 0.368 | C | S | . | . | trans | -73.6 | 137 | 172 | -167.2 | -89.3 | 0 | 0 | 0 | 111.6 | Q70 E71 Q72 M74 Y76 | D68-Q70 VanDerWaalsContact C-N 3.35Å; D68-Q70 PolarHBondContact O-N 2.76Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.45Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.46Å; D68-Q70 PolarHBondContact OD1-N 3.06Å; D68-E71 HydrophobicContact CB-CB 4.21Å; D68-E71 CarbonylContact O-C 3.48Å; D68-E71 PolarHBondContact OD1-N 2.94Å; D68-Q72 WeakPolarHBondContact O-CA 3.4Å; D68-Q72 WeakPolarHBondContact O-CG 3.48Å; D68-Q72 PolarHBondContact O-N 2.83Å; D68-Q72 VanDerWaalsContact O-N 3.16Å; D68-M74 HydrophobicContact CB-CB 4.16Å; D68-M74 PolarHBondContact N-O 3.3Å; D68-Y76 HydrophobicContact CB-CD2 4.31Å; D68-Y76 HydrophobicContact CB-CE2 3.82Å | ||
| 69 | Q | 95.3 | Very high | 97.1 | Very high | 153 Ų | 153 | 76.3 Ų | 76.3 | 72% | 0.715 | 40% | 0.396 | S | S | * | . | S | Bend | trans | -71.5 | -29 | -178.1 | -68.3 | -173.4 | -17.3 | 0 | 0 | 113.5 | ||
| 70 | Q | 96.7 | Very high | 97.1 | Very high | 185 Ų | 185 | 73.6 Ų | 73.6 | 86% | 0.864 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -91.8 | -42.5 | 179.9 | -57.9 | -175.3 | 3.2 | 0 | 0 | 110.4 | D68 | D68-Q70 VanDerWaalsContact C-N 3.35Å; D68-Q70 PolarHBondContact O-N 2.76Å; D68-Q70 WeakPolarHBondContact OD1-CA 3.45Å; D68-Q70 WeakPolarHBondContact OD1-CB 3.46Å; D68-Q70 PolarHBondContact OD1-N 3.06Å |
| 71 | E | 96.8 | Very high | 97 | Very high | 103 Ų | 103 | 75.6 Ų | 75.6 | 48% | 0.481 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -111.4 | 64.4 | 179.5 | -65.4 | -163.1 | 153.1 | 0 | 0 | 110.8 | D68 H73 M74 | D68-E71 HydrophobicContact CB-CB 4.21Å; D68-E71 CarbonylContact O-C 3.48Å; D68-E71 PolarHBondContact OD1-N 2.94Å; E71-H73 CarbonylContact O-C 3.59Å; E71-H73 PolarHBondContact O-N 2.83Å; E71-H73 PolarHBondContact O-ND1 3.07Å; E71-H73 IonicContact OE2-CE1 2.76Å; E71-M74 HydrophobicContact CB-CB 4.35Å; E71-M74 HydrophobicContact CB-CG 4.16Å; E71-M74 WeakPolarHBondContact O-CB 3.42Å; E71-M74 PolarHBondContact O-N 3.04Å |
| 72 | Q | 95.3 | Very high | 97 | Very high | 138 Ų | 138 | 74.6 Ų | 74.6 | 65% | 0.645 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -16.1 | -173.7 | -65.3 | -174 | -27.2 | 0 | 0 | 116.8 | Y67 D68 M74 | Y67-Q72 HydrophobicContact CD2-CG 4.27Å; D68-Q72 WeakPolarHBondContact O-CA 3.4Å; D68-Q72 WeakPolarHBondContact O-CG 3.48Å; D68-Q72 PolarHBondContact O-N 2.83Å; D68-Q72 VanDerWaalsContact O-N 3.16Å; Q72-M74 VanDerWaalsContact C-N 3.32Å |
| 73 | H | 94.8 | Very high | 97 | Very high | 45 Ų | 45 | 69.2 Ų | 69.2 | 21% | 0.208 | 36% | 0.364 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -16.1 | 171.8 | 76.8 | -63.5 | 0 | 0 | 0 | 114.3 | E71 S92 V93 K94 | E71-H73 CarbonylContact O-C 3.59Å; E71-H73 PolarHBondContact O-N 2.83Å; E71-H73 PolarHBondContact O-ND1 3.07Å; E71-H73 IonicContact OE2-CE1 2.76Å; H73-S92 PolarHBondContact CD2-OG 3.47Å; H73-S92 VanDerWaalsContact CD2-OG 3.24Å; H73-S92 CarbonylContact O-C 3.59Å; H73-S92 WeakPolarHBondContact O-CA 3.39Å; H73-V93 HydrophobicContact CB-CG2 3.71Å; H73-V93 WeakPolarHBondContact O-CG2 3.39Å; H73-V93 PolarHBondContact O-N 3.21Å; H73-K94 HydrophobicContact CB-CG 4.23Å; H73-K94 VanDerWaalsContact CD2-CD 3.46Å; H73-K94 WeakPolarHBondContact CD2-CD 3.46Å; H73-K94 VanDerWaalsContact CD2-CE 3.45Å; H73-K94 WeakPolarHBondContact CD2-CE 3.49Å; H73-K94 PolarHBondContact NE2-NZ 3.14Å |
| 74 | M | 97.8 | Very high | 97 | Very high | 34 Ų | 34 | 70 Ų | 70 | 17% | 0.167 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 131.5 | 175.6 | -73.2 | -61.4 | -65 | 0 | 0 | 109.8 | Y67 D68 E71 Q72 Y76 | Y67-M74 CarbonylContact C-O 3.57Å; Y67-M74 VanDerWaalsContact CA-O 3.32Å; Y67-M74 WeakPolarHBondContact CA-O 3.43Å; D68-M74 HydrophobicContact CB-CB 4.16Å; D68-M74 PolarHBondContact N-O 3.3Å; E71-M74 HydrophobicContact CB-CB 4.35Å; E71-M74 HydrophobicContact CB-CG 4.16Å; E71-M74 WeakPolarHBondContact O-CB 3.42Å; E71-M74 PolarHBondContact O-N 3.04Å; Q72-M74 VanDerWaalsContact C-N 3.32Å; M74-Y76 HydrophobicContact CB-CE2 4.28Å; M74-Y76 HydrophobicContact CE-CE1 4.49Å |
| 75 | V | 98.1 | Very high | 96.9 | Very high | 2 Ų | 2 | 66.7 Ų | 66.7 | 1% | 0.012 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 124.2 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | I61 L66 S90 F91 V93 | I61-V75 HydrophobicContact CD1-CG1 4.36Å; I61-V75 HydrophobicContact CD1-CG2 4.34Å; I61-V75 HydrophobicContact CG1-CG1 4.29Å; I61-V75 HydrophobicContact CG2-CG1 4.22Å; I61-V75 HydrophobicContact CG2-CG2 4.05Å; L66-V75 HydrophobicContact CB-CG1 3.92Å; L66-V75 CarbonylContact O-C 3.46Å; L66-V75 VanDerWaalsContact O-CA 3.28Å; L66-V75 WeakPolarHBondContact O-CA 3.42Å; V75-S90 CarbonylContact O-C 3.59Å; V75-S90 WeakPolarHBondContact O-CA 3.38Å; V75-S90 WeakPolarHBondContact O-CB 3.48Å; V75-F91 HydrophobicContact CB-CD1 4.06Å; V75-F91 HydrophobicContact CB-CE1 3.65Å; V75-F91 HydrophobicContact CB-CE2 4.3Å; V75-F91 HydrophobicContact CB-CZ 3.78Å; V75-F91 HydrophobicContact CG1-CD1 4.28Å; V75-F91 HydrophobicContact CG1-CE1 3.54Å; V75-F91 HydrophobicContact CG1-CZ 3.86Å; V75-F91 HydrophobicContact CG2-CE1 4.3Å; V75-F91 HydrophobicContact CG2-CE2 4.2Å; V75-F91 HydrophobicContact CG2-CZ 3.91Å; V75-F91 PolarHBondContact N-O 2.83Å; V75-F91 PolarHBondContact O-N 3.4Å; V75-V93 HydrophobicContact CG2-CG1 3.98Å |
| 76 | Y | 98.2 | Very high | 96.8 | Very high | 112 Ų | 112 | 61.6 Ų | 61.6 | 44% | 0.439 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 110.5 | 174.1 | -63.4 | -76.1 | 0 | 0 | 0 | 109.3 | L66 D68 M74 | L66-Y76 PolarHBondContact O-N 3.32Å; D68-Y76 HydrophobicContact CB-CD2 4.31Å; D68-Y76 HydrophobicContact CB-CE2 3.82Å; M74-Y76 HydrophobicContact CB-CE2 4.28Å; M74-Y76 HydrophobicContact CE-CE1 4.49Å |
| 77 | C | 97.4 | Very high | 96.7 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.007 | 36% | 0.358 | C | S | . | . | trans | -123.1 | 13.3 | -173.7 | 53.4 | 0 | 0 | 0 | 0 | 113.1 | L66 G79 D80 L82 G83 Q89 | L66-C77 HydrophobicContact CD1-CB 4.36Å; C77-G79 PolarHBondContact O-N 2.92Å; C77-D80 WeakPolarHBondContact O-CB 3.33Å; C77-D80 PolarHBondContact O-N 3.05Å; C77-L82 HydrophobicContact CB-CB 4.31Å; C77-L82 HydrophobicContact CB-CD2 4.45Å; C77-L82 HydrophobicContact CB-CG 4.38Å; C77-G83 WeakPolarHBondContact O-CA 3.41Å; C77-G83 PolarHBondContact O-N 3.23Å; C77-G83 VanDerWaalsContact SG-CA 3.54Å; C77-Q89 PolarHBondContact N-O 2.66Å | ||
| 78 | G | 96.8 | Very high | 96.6 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 51% | 0.505 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | 127.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | D80 Q89 | G78-D80 PolarHBondContact O-N 2.93Å; G78-Q89 PolarHBondContact N-O 3.06Å; G78-Q89 VanDerWaalsContact N-O 3.11Å |
| 79 | G | 95.6 | Very high | 96.6 | Very high | 86 Ų | 86 | 67.4 Ų | 67.4 | 89% | 0.887 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 4.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | C77 | C77-G79 PolarHBondContact O-N 2.92Š|
| 80 | D | 97.9 | Very high | 96.6 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 9% | 0.086 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -104.3 | 152.1 | 170.2 | -170.8 | -93.3 | 0 | 0 | 0 | 111.2 | Y60 K64 L66 C77 G78 L82 G83 D84 | Y60-D80 WeakPolarHBondContact CE1-OD1 3.44Å; Y60-D80 VanDerWaalsContact OH-CG 3.26Å; Y60-D80 PolarHBondContact OH-OD1 3.24Å; Y60-D80 PolarHBondContact OH-OD2 3.01Å; K64-D80 VanDerWaalsContact CD-OD2 3.25Å; K64-D80 WeakPolarHBondContact CD-OD2 3.35Å; K64-D80 IonicContact NZ-OD2 2.78Å; K64-D80 PolarHBondContact NZ-OD2 3.28Å; L66-D80 HydrophobicContact CD1-CB 4.46Å; L66-D80 HydrophobicContact CD2-CB 4.44Å; C77-D80 WeakPolarHBondContact O-CB 3.33Å; C77-D80 PolarHBondContact O-N 3.05Å; G78-D80 PolarHBondContact O-N 2.93Å; D80-L82 PolarHBondContact O-N 3.41Å; D80-L82 VanDerWaalsContact O-N 3.12Å; D80-L82 VanDerWaalsContact OD1-CB 3.3Å; D80-L82 WeakPolarHBondContact OD1-CB 3.48Å; D80-L82 PolarHBondContact OD1-N 2.83Å; D80-G83 WeakPolarHBondContact O-CA 3.12Å; D80-G83 PolarHBondContact O-N 2.99Å; D80-D84 PolarHBondContact O-N 3.04Å; D80-D84 VanDerWaalsContact O-N 3.09Å |
| 81 | L | 96.6 | Very high | 96.7 | Very high | 47 Ų | 47 | 54.2 Ų | 54.2 | 25% | 0.246 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -53.7 | -33.1 | 176 | -169 | 61.4 | 0 | 0 | 0 | 113 | Q33 K36 I37 L85 | Q33-L81 VanDerWaalsContact OE1-CD1 3.27Å; K36-L81 HydrophobicContact CB-CD2 4.12Å; I37-L81 HydrophobicContact CD1-CB 4.45Å; I37-L81 HydrophobicContact CD1-CD2 4.34Å; I37-L81 HydrophobicContact CD1-CG 4.06Å; I37-L81 HydrophobicContact CG1-CB 4.3Å; I37-L81 HydrophobicContact CG1-CD2 3.62Å; I37-L81 HydrophobicContact CG1-CG 3.87Å; L81-L85 WeakPolarHBondContact O-CB 3.36Å; L81-L85 PolarHBondContact O-N 3.45Å |
| 82 | L | 97.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -64.8 | -41.1 | 175.2 | -179 | 61 | 0 | 0 | 0 | 111.7 | I37 L57 Y60 I61 L66 C77 D80 L85 L86 F91 | I37-L82 HydrophobicContact CD1-CB 4.35Å; I37-L82 HydrophobicContact CD1-CD1 4.32Å; L57-L82 HydrophobicContact CD2-CD1 4.07Å; Y60-L82 HydrophobicContact CD1-CB 4.43Å; Y60-L82 HydrophobicContact CD1-CD2 4.25Å; Y60-L82 HydrophobicContact CE1-CB 3.88Å; Y60-L82 HydrophobicContact CE1-CD2 4.43Å; I61-L82 HydrophobicContact CD1-CD2 4.06Å; I61-L82 HydrophobicContact CG1-CD2 3.65Å; L66-L82 HydrophobicContact CD1-CD2 4.08Å; C77-L82 HydrophobicContact CB-CB 4.31Å; C77-L82 HydrophobicContact CB-CD2 4.45Å; C77-L82 HydrophobicContact CB-CG 4.38Å; D80-L82 PolarHBondContact O-N 3.41Å; D80-L82 VanDerWaalsContact O-N 3.12Å; D80-L82 VanDerWaalsContact OD1-CB 3.3Å; D80-L82 WeakPolarHBondContact OD1-CB 3.48Å; D80-L82 PolarHBondContact OD1-N 2.83Å; L82-L85 PolarHBondContact O-N 3.47Å; L82-L86 HydrophobicContact CD1-CD1 3.91Å; L82-L86 HydrophobicContact CD1-CG 4.23Å; L82-L86 HydrophobicContact CG-CD1 3.76Å; L82-L86 HydrophobicContact CG-CG 4.49Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 WeakPolarHBondContact O-CD1 3.37Å; L82-L86 WeakPolarHBondContact O-CG 3.31Å; L82-L86 PolarHBondContact O-N 2.73Å; L82-F91 HydrophobicContact CD2-CE1 4.47Å |
| 83 | G | 97.1 | Very high | 96.5 | Very high | 5 Ų | 5 | 47.7 Ų | 47.7 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68 | -40.3 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | C77 D80 L85 L86 G87 C88 | C77-G83 WeakPolarHBondContact O-CA 3.41Å; C77-G83 PolarHBondContact O-N 3.23Å; C77-G83 VanDerWaalsContact SG-CA 3.54Å; D80-G83 WeakPolarHBondContact O-CA 3.12Å; D80-G83 PolarHBondContact O-N 2.99Å; G83-L85 VanDerWaalsContact C-N 3.28Å; G83-L85 PolarHBondContact O-N 3.02Å; G83-L86 PolarHBondContact O-N 3.17Å; G83-G87 WeakPolarHBondContact O-CA 3.46Å; G83-G87 PolarHBondContact O-N 3.04Å; G83-C88 WeakPolarHBondContact CA-O 3.38Å; G83-C88 PolarHBondContact O-N 3.13Å |
| 84 | D | 96.1 | Very high | 96.5 | Very high | 121 Ų | 121 | 53 Ų | 53 | 65% | 0.647 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.1 | -40.2 | 173.7 | -68.1 | -22 | 0 | 0 | 0 | 111.5 | D80 | D80-D84 PolarHBondContact O-N 3.04Å; D80-D84 VanDerWaalsContact O-N 3.09Å |
| 85 | L | 96.1 | Very high | 96.3 | Very high | 30 Ų | 30 | 55.7 Ų | 55.7 | 16% | 0.157 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -73.7 | -36.7 | -179.7 | -164.3 | 66.2 | 0 | 0 | 0 | 112.9 | Q33 L34 I37 L81 L82 G83 M102 N106 | Q33-L85 HydrophobicContact CB-CD1 3.8Å; L34-L85 HydrophobicContact CB-CD2 3.9Å; L34-L85 HydrophobicContact CD1-CD2 3.94Å; L34-L85 HydrophobicContact CG-CD2 4.47Å; I37-L85 HydrophobicContact CD1-CB 4.4Å; I37-L85 HydrophobicContact CD1-CD2 3.73Å; L81-L85 WeakPolarHBondContact O-CB 3.36Å; L81-L85 PolarHBondContact O-N 3.45Å; L82-L85 PolarHBondContact O-N 3.47Å; G83-L85 VanDerWaalsContact C-N 3.28Å; G83-L85 PolarHBondContact O-N 3.02Å; L85-M102 HydrophobicContact CB-CG 4.37Å; L85-M102 HydrophobicContact CD2-CE 4.3Å; L85-M102 HydrophobicContact CD2-CG 3.97Å; L85-M102 HydrophobicContact CD2-SD 3.46Å; L85-M102 WeakPolarHBondContact CD2-SD 3.5Å; L85-M102 HydrophobicContact CG-CG 3.67Å; L85-M102 HydrophobicContact CG-SD 3.86Å; L85-M102 WeakPolarHBondContact O-CG 3.33Å; L85-N106 WeakPolarHBondContact CD1-OD1 3.21Å |
| 86 | L | 95.4 | Very high | 95.7 | Very high | 25 Ų | 25 | 57.4 Ų | 57.4 | 13% | 0.131 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -75.7 | -29 | 175.7 | -71.1 | 164.8 | 0 | 0 | 0 | 112.1 | L82 G83 C88 F91 P98 L99 M102 | L82-L86 HydrophobicContact CD1-CD1 3.91Å; L82-L86 HydrophobicContact CD1-CG 4.23Å; L82-L86 HydrophobicContact CG-CD1 3.76Å; L82-L86 HydrophobicContact CG-CG 4.49Å; L82-L86 WeakPolarHBondContact O-CB 3.36Å; L82-L86 WeakPolarHBondContact O-CD1 3.37Å; L82-L86 WeakPolarHBondContact O-CG 3.31Å; L82-L86 PolarHBondContact O-N 2.73Å; G83-L86 PolarHBondContact O-N 3.17Å; L86-C88 VanDerWaalsContact C-N 3.34Å; L86-F91 HydrophobicContact CD1-CD1 3.58Å; L86-F91 HydrophobicContact CD1-CE1 3.39Å; L86-F91 HydrophobicContact CD1-CZ 4.28Å; L86-P98 HydrophobicContact CD2-CB 4.36Å; L86-P98 WeakPolarHBondContact CD2-O 3.35Å; L86-L99 HydrophobicContact CD2-CD1 4.39Å; L86-M102 HydrophobicContact CD2-CB 3.7Å; L86-M102 HydrophobicContact CD2-CE 4.46Å; L86-M102 HydrophobicContact CD2-CG 4.09Å; L86-M102 HydrophobicContact CG-CG 4.5Å |
| 87 | G | 95.2 | Very high | 95.5 | Very high | 71 Ų | 71 | 54.8 Ų | 54.8 | 73% | 0.732 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 24 | -172 | 0 | 0 | 0 | 0 | 0 | 113.4 | G83 | G83-G87 WeakPolarHBondContact O-CA 3.46Å; G83-G87 PolarHBondContact O-N 3.04Å |
| 88 | C | 95.5 | Very high | 95.3 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 26% | 0.264 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -138.5 | 158.3 | 177.7 | 71.2 | 0 | 0 | 0 | 0 | 111.7 | G83 L86 S90 | G83-C88 WeakPolarHBondContact CA-O 3.38Å; G83-C88 PolarHBondContact O-N 3.13Å; L86-C88 VanDerWaalsContact C-N 3.34Å; C88-S90 PolarHBondContact SG-O 3.21Å; C88-S90 VanDerWaalsContact SG-O 3.37Å |
| 89 | Q | 97.3 | Very high | 95.1 | Very high | 153 Ų | 153 | 55.2 Ų | 55.2 | 72% | 0.715 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -83.9 | -24.5 | 176.3 | -64.9 | -168.3 | 77.7 | 0 | 0 | 112.6 | C77 G78 | C77-Q89 PolarHBondContact N-O 2.66Å; G78-Q89 PolarHBondContact N-O 3.06Å; G78-Q89 VanDerWaalsContact N-O 3.11Å |
| 90 | S | 97.2 | Very high | 94.9 | Very high | 49 Ų | 49 | 53.7 Ų | 53.7 | 34% | 0.343 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.3 | 157.1 | 179.7 | 59.3 | 0 | 0 | 0 | 0 | 111.6 | V75 C88 | V75-S90 CarbonylContact O-C 3.59Å; V75-S90 WeakPolarHBondContact O-CA 3.38Å; V75-S90 WeakPolarHBondContact O-CB 3.48Å; C88-S90 PolarHBondContact SG-O 3.21Å; C88-S90 VanDerWaalsContact SG-O 3.37Å |
| 91 | F | 96.8 | Very high | 94.7 | Very high | 13 Ų | 13 | 56.3 Ų | 56.3 | 6% | 0.057 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 163.4 | 170.5 | 68.1 | -82.3 | 0 | 0 | 0 | 110.8 | I61 V75 L82 L86 V93 P98 | I61-F91 HydrophobicContact CD1-CZ 4.05Å; V75-F91 HydrophobicContact CB-CD1 4.06Å; V75-F91 HydrophobicContact CB-CE1 3.65Å; V75-F91 HydrophobicContact CB-CE2 4.3Å; V75-F91 HydrophobicContact CB-CZ 3.78Å; V75-F91 HydrophobicContact CG1-CD1 4.28Å; V75-F91 HydrophobicContact CG1-CE1 3.54Å; V75-F91 HydrophobicContact CG1-CZ 3.86Å; V75-F91 HydrophobicContact CG2-CE1 4.3Å; V75-F91 HydrophobicContact CG2-CE2 4.2Å; V75-F91 HydrophobicContact CG2-CZ 3.91Å; V75-F91 PolarHBondContact N-O 2.83Å; V75-F91 PolarHBondContact O-N 3.4Å; L82-F91 HydrophobicContact CD2-CE1 4.47Å; L86-F91 HydrophobicContact CD1-CD1 3.58Å; L86-F91 HydrophobicContact CD1-CE1 3.39Å; L86-F91 HydrophobicContact CD1-CZ 4.28Å; F91-V93 HydrophobicContact CE2-CG1 4.33Å; F91-P98 HydrophobicContact CB-CB 4.38Å; F91-P98 HydrophobicContact CB-CG 4.15Å |
| 92 | S | 96.4 | Very high | 94.7 | Very high | 27 Ų | 27 | 54.2 Ų | 54.2 | 19% | 0.189 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 130.8 | 176.1 | 179.6 | 0 | 0 | 0 | 0 | 109.8 | H73 K94 D95 | H73-S92 PolarHBondContact CD2-OG 3.47Å; H73-S92 VanDerWaalsContact CD2-OG 3.24Å; H73-S92 CarbonylContact O-C 3.59Å; H73-S92 WeakPolarHBondContact O-CA 3.39Å; S92-K94 PolarHBondContact O-N 3.44Å; S92-K94 PolarHBondContact OG-N 2.76Å; S92-D95 CarbonylContact O-C 3.53Å; S92-D95 PolarHBondContact O-N 3.01Å |
| 93 | V | 93.5 | Very high | 94.6 | Very high | 76 Ų | 76 | 54.4 Ų | 54.4 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -15.6 | 172.8 | -51.8 | 0 | 0 | 0 | 0 | 112.4 | H73 V75 F91 D95 | H73-V93 HydrophobicContact CB-CG2 3.71Å; H73-V93 WeakPolarHBondContact O-CG2 3.39Å; H73-V93 PolarHBondContact O-N 3.21Å; V75-V93 HydrophobicContact CG2-CG1 3.98Å; F91-V93 HydrophobicContact CE2-CG1 4.33Å; V93-D95 VanDerWaalsContact C-N 3.3Å |
| 94 | K | 93.6 | Very high | 94.4 | Very high | 158 Ų | 158 | 63 Ų | 63 | 69% | 0.687 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -24.6 | 170.8 | -64.9 | 179.8 | -174.6 | 159.7 | 0 | 112.2 | H73 S92 P96 | H73-K94 HydrophobicContact CB-CG 4.23Å; H73-K94 VanDerWaalsContact CD2-CD 3.46Å; H73-K94 WeakPolarHBondContact CD2-CD 3.46Å; H73-K94 VanDerWaalsContact CD2-CE 3.45Å; H73-K94 WeakPolarHBondContact CD2-CE 3.49Å; H73-K94 PolarHBondContact NE2-NZ 3.14Å; S92-K94 PolarHBondContact O-N 3.44Å; S92-K94 PolarHBondContact OG-N 2.76Å; K94-P96 WeakPolarHBondContact O-CD 3.49Å |
| 95 | D | 92.8 | Very high | 94.3 | Very high | 90 Ų | 90 | 64 Ų | 64 | 48% | 0.481 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -120.3 | 80.8 | 171.3 | -179.5 | 15.1 | 0 | 0 | 0 | 109.8 | S92 V93 S97 P98 | S92-D95 CarbonylContact O-C 3.53Å; S92-D95 PolarHBondContact O-N 3.01Å; V93-D95 VanDerWaalsContact C-N 3.3Å; D95-S97 PolarHBondContact O-N 2.76Å; D95-S97 WeakPolarHBondContact OD1-CB 3.44Å; D95-S97 PolarHBondContact OD1-N 3.44Å; D95-S97 PolarHBondContact OD1-OG 3.12Å; D95-P98 VanDerWaalsContact O-CD 3.24Å; D95-P98 WeakPolarHBondContact O-CD 3.36Å |
| 96 | P | 86.6 | Confident | 94.3 | Very high | 37 Ų | 37 | 63.5 Ų | 63.5 | 24% | 0.24 | 34% | 0.339 | C | S | . | . | trans | -74.9 | 8.9 | -175.1 | 32.9 | -38.4 | 0 | 0 | 0 | 113.6 | K94 P98 L99 Y100 | K94-P96 WeakPolarHBondContact O-CD 3.49Å; P96-P98 VanDerWaalsContact C-CD 3.47Å; P96-L99 WeakPolarHBondContact O-CA 3.29Å; P96-L99 VanDerWaalsContact O-CB 3.28Å; P96-L99 WeakPolarHBondContact O-CB 3.28Å; P96-L99 PolarHBondContact O-N 3.06Å; P96-Y100 HydrophobicContact CB-CD2 4.07Å; P96-Y100 HydrophobicContact CB-CE2 3.77Å; P96-Y100 HydrophobicContact CG-CD2 4.08Å; P96-Y100 HydrophobicContact CG-CE2 3.55Å; P96-Y100 WeakPolarHBondContact O-CD2 3.5Å; P96-Y100 PolarHBondContact O-N 3.33Å | ||
| 97 | S | 92.9 | Very high | 94.3 | Very high | 58 Ų | 58 | 63.6 Ų | 63.6 | 41% | 0.406 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -52.6 | -45.5 | -178.3 | -53.9 | 0 | 0 | 0 | 0 | 113.3 | D95 L99 Y100 D101 | D95-S97 PolarHBondContact O-N 2.76Å; D95-S97 WeakPolarHBondContact OD1-CB 3.44Å; D95-S97 PolarHBondContact OD1-N 3.44Å; D95-S97 PolarHBondContact OD1-OG 3.12Å; S97-L99 VanDerWaalsContact C-N 3.26Å; S97-L99 PolarHBondContact O-N 3.21Å; S97-Y100 PolarHBondContact O-N 3.4Å; S97-D101 PolarHBondContact O-N 3.43Å |
| 98 | P | 93.4 | Very high | 94.2 | Very high | 40 Ų | 40 | 64 Ų | 64 | 26% | 0.26 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.4 | -37 | 176.6 | -24.1 | 35.8 | 0 | 0 | 0 | 113 | L86 F91 D95 P96 M102 | L86-P98 HydrophobicContact CD2-CB 4.36Å; L86-P98 WeakPolarHBondContact CD2-O 3.35Å; F91-P98 HydrophobicContact CB-CB 4.38Å; F91-P98 HydrophobicContact CB-CG 4.15Å; D95-P98 VanDerWaalsContact O-CD 3.24Å; D95-P98 WeakPolarHBondContact O-CD 3.36Å; P96-P98 VanDerWaalsContact C-CD 3.47Å; P98-M102 WeakPolarHBondContact O-CB 3.49Å; P98-M102 PolarHBondContact O-N 2.93Å |
| 99 | L | 93.1 | Very high | 93.8 | Very high | 18 Ų | 18 | 66.3 Ų | 66.3 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -66.4 | -49.2 | 178.1 | -169.7 | 71.8 | 0 | 0 | 0 | 110.7 | M54 L57 L86 P96 S97 D101 M102 L103 | M54-L99 HydrophobicContact CE-CD2 3.67Å; M54-L99 HydrophobicContact SD-CD2 3.89Å; L57-L99 HydrophobicContact CD1-CD1 4.09Å; L86-L99 HydrophobicContact CD2-CD1 4.39Å; P96-L99 WeakPolarHBondContact O-CA 3.29Å; P96-L99 VanDerWaalsContact O-CB 3.28Å; P96-L99 WeakPolarHBondContact O-CB 3.28Å; P96-L99 PolarHBondContact O-N 3.06Å; S97-L99 VanDerWaalsContact C-N 3.26Å; S97-L99 PolarHBondContact O-N 3.21Å; L99-D101 VanDerWaalsContact C-N 3.32Å; L99-D101 PolarHBondContact O-N 3.26Å; L99-M102 HydrophobicContact CD1-CE 3.9Å; L99-M102 WeakPolarHBondContact O-CB 3.24Å; L99-M102 PolarHBondContact O-N 3.35Å; L99-L103 HydrophobicContact CG-CD1 4.44Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.24Å; L99-L103 PolarHBondContact O-N 3.28Å |
| 100 | Y | 92.4 | Very high | 92.5 | Very high | 54 Ų | 54 | 64.4 Ų | 64.4 | 21% | 0.212 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.5 | -37.9 | 179.5 | -70.8 | -53.9 | 0 | 0 | 0 | 112.7 | I19 M54 P96 S97 L103 R104 | I19-Y100 HydrophobicContact CD1-CE1 4.2Å; M54-Y100 HydrophobicContact CE-CE1 4.49Å; P96-Y100 HydrophobicContact CB-CD2 4.07Å; P96-Y100 HydrophobicContact CB-CE2 3.77Å; P96-Y100 HydrophobicContact CG-CD2 4.08Å; P96-Y100 HydrophobicContact CG-CE2 3.55Å; P96-Y100 WeakPolarHBondContact O-CD2 3.5Å; P96-Y100 PolarHBondContact O-N 3.33Å; S97-Y100 PolarHBondContact O-N 3.4Å; Y100-L103 HydrophobicContact CD1-CD1 4.28Å; Y100-L103 PolarHBondContact O-N 3.11Å; Y100-R104 VanDerWaalsContact O-CG 3.29Å; Y100-R104 WeakPolarHBondContact O-CG 3.47Å; Y100-R104 PolarHBondContact O-N 3.39Å |
| 101 | D | 94.1 | Very high | 92.3 | Very high | 71 Ų | 71 | 65.2 Ų | 65.2 | 38% | 0.38 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -66 | -38.9 | 175.5 | -74.7 | -15.9 | 0 | 0 | 0 | 112.4 | S97 L99 R104 K105 | S97-D101 PolarHBondContact O-N 3.43Å; L99-D101 VanDerWaalsContact C-N 3.32Å; L99-D101 PolarHBondContact O-N 3.26Å; D101-R104 IonicContact OD1-CZ 2.69Å; D101-R104 IonicContact OD1-NH1 3.43Å; D101-R104 PolarHBondContact OD1-NH1 3.38Å; D101-K105 VanDerWaalsContact O-CG 3.31Å; D101-K105 WeakPolarHBondContact O-CG 3.39Å; D101-K105 PolarHBondContact O-N 2.9Å |
| 102 | M | 95.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 67.9 Ų | 67.9 | 2% | 0.02 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63 | -45 | 172.6 | 178.9 | -76.6 | -71.2 | 0 | 0 | 111.3 | L34 L57 L85 L86 P98 L99 R104 K105 N106 | L34-M102 HydrophobicContact CD1-CE 4.22Å; L34-M102 HydrophobicContact CD1-SD 4.2Å; L34-M102 HydrophobicContact CD2-SD 4.34Å; L57-M102 HydrophobicContact CD1-CE 4.02Å; L57-M102 HydrophobicContact CD2-CE 4.42Å; L85-M102 HydrophobicContact CB-CG 4.37Å; L85-M102 HydrophobicContact CD2-CE 4.3Å; L85-M102 HydrophobicContact CD2-CG 3.97Å; L85-M102 HydrophobicContact CD2-SD 3.46Å; L85-M102 WeakPolarHBondContact CD2-SD 3.5Å; L85-M102 HydrophobicContact CG-CG 3.67Å; L85-M102 HydrophobicContact CG-SD 3.86Å; L85-M102 WeakPolarHBondContact O-CG 3.33Å; L86-M102 HydrophobicContact CD2-CB 3.7Å; L86-M102 HydrophobicContact CD2-CE 4.46Å; L86-M102 HydrophobicContact CD2-CG 4.09Å; L86-M102 HydrophobicContact CG-CG 4.5Å; P98-M102 WeakPolarHBondContact O-CB 3.49Å; P98-M102 PolarHBondContact O-N 2.93Å; L99-M102 HydrophobicContact CD1-CE 3.9Å; L99-M102 WeakPolarHBondContact O-CB 3.24Å; L99-M102 PolarHBondContact O-N 3.35Å; M102-R104 PolarHBondContact O-N 3.1Å; M102-K105 PolarHBondContact O-N 3.07Å; M102-K105 VanDerWaalsContact O-N 3.14Å; M102-N106 WeakPolarHBondContact O-CB 3.29Å; M102-N106 PolarHBondContact O-N 2.69Å; M102-N106 PolarHBondContact O-ND2 3.17Å; M102-N106 HydrophobicContact SD-CB 4.14Å |
| 103 | L | 94.6 | Very high | 91.8 | Very high | 4 Ų | 4 | 70.2 Ų | 70.2 | 2% | 0.021 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61 | -45.8 | 179.4 | -69.6 | 175.4 | 0 | 0 | 0 | 111.9 | L34 M50 V53 M54 L57 L99 Y100 K105 N106 L107 | L34-L103 HydrophobicContact CD2-CD2 4.11Å; M50-L103 HydrophobicContact CE-CD1 3.98Å; V53-L103 HydrophobicContact CG1-CD2 3.51Å; M54-L103 HydrophobicContact SD-CD1 3.61Å; L57-L103 HydrophobicContact CD1-CD2 3.84Å; L99-L103 HydrophobicContact CG-CD1 4.44Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.24Å; L99-L103 PolarHBondContact O-N 3.28Å; Y100-L103 HydrophobicContact CD1-CD1 4.28Å; Y100-L103 PolarHBondContact O-N 3.11Å; L103-K105 PolarHBondContact O-N 3.15Å; L103-N106 PolarHBondContact O-N 2.83Å; L103-L107 HydrophobicContact CB-CD1 4.1Å; L103-L107 HydrophobicContact CD2-CD1 4.07Å; L103-L107 HydrophobicContact CD2-CG 4.47Å; L103-L107 WeakPolarHBondContact O-CB 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 3.02Å |
| 104 | R | 92.6 | Very high | 91.7 | Very high | 184 Ų | 184 | 69.9 Ų | 69.9 | 69% | 0.694 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -57 | -33.7 | 176.1 | -71.1 | 168.1 | -175 | 147.4 | -1.6 | 112.7 | Y100 D101 M102 | Y100-R104 VanDerWaalsContact O-CG 3.29Å; Y100-R104 WeakPolarHBondContact O-CG 3.47Å; Y100-R104 PolarHBondContact O-N 3.39Å; D101-R104 IonicContact OD1-CZ 2.69Å; D101-R104 IonicContact OD1-NH1 3.43Å; D101-R104 PolarHBondContact OD1-NH1 3.38Å; M102-R104 PolarHBondContact O-N 3.1Å |
| 105 | K | 94.1 | Very high | 91.6 | Very high | 144 Ų | 144 | 64.4 Ų | 64.4 | 63% | 0.626 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -82.5 | -22.3 | 179.2 | -67.4 | 169.6 | -172.2 | 171.9 | 0 | 113.2 | K31 D101 M102 L103 | K31-K105 WeakPolarHBondContact CE-O 3.4Å; K31-K105 PolarHBondContact NZ-O 3.48Å; D101-K105 VanDerWaalsContact O-CG 3.31Å; D101-K105 WeakPolarHBondContact O-CG 3.39Å; D101-K105 PolarHBondContact O-N 2.9Å; M102-K105 PolarHBondContact O-N 3.07Å; M102-K105 VanDerWaalsContact O-N 3.14Å; L103-K105 PolarHBondContact O-N 3.15Å |
| 106 | N | 96.3 | Very high | 91.5 | Very high | 19 Ų | 19 | 62.7 Ų | 62.7 | 10% | 0.102 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -116.1 | -2.5 | -168.2 | -71.9 | -69.9 | 0 | 0 | 0 | 115.2 | P30 K31 L34 L85 M102 L103 | P30-N106 CarbonylContact C-O 3.5Å; P30-N106 WeakPolarHBondContact CA-O 3.41Å; K31-N106 PolarHBondContact N-O 3.05Å; L34-N106 HydrophobicContact CB-CB 4.09Å; L34-N106 HydrophobicContact CD2-CB 3.82Å; L85-N106 WeakPolarHBondContact CD1-OD1 3.21Å; M102-N106 WeakPolarHBondContact O-CB 3.29Å; M102-N106 PolarHBondContact O-N 2.69Å; M102-N106 PolarHBondContact O-ND2 3.17Å; M102-N106 HydrophobicContact SD-CB 4.14Å; L103-N106 PolarHBondContact O-N 2.83Å |
| 107 | L | 95.3 | Very high | 91.9 | Very high | 27 Ų | 27 | 64.5 Ų | 64.5 | 14% | 0.141 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 141.4 | 175.2 | -62.9 | 177.9 | 0 | 0 | 0 | 111 | V28 P30 L34 M50 V53 L103 | V28-L107 HydrophobicContact CB-CB 4.28Å; V28-L107 HydrophobicContact CB-CD1 4.4Å; V28-L107 HydrophobicContact CB-CD2 4.2Å; V28-L107 HydrophobicContact CG1-CB 4.47Å; V28-L107 HydrophobicContact CG1-CD1 4.46Å; V28-L107 HydrophobicContact CG2-CD1 4.13Å; V28-L107 HydrophobicContact CG2-CD2 3.95Å; P30-L107 HydrophobicContact CB-CD2 3.99Å; P30-L107 HydrophobicContact CG-CD2 3.81Å; L34-L107 HydrophobicContact CD2-CD2 3.67Å; L34-L107 HydrophobicContact CD2-CG 4.18Å; M50-L107 HydrophobicContact CE-CD1 3.87Å; M50-L107 HydrophobicContact SD-CD1 3.36Å; M50-L107 WeakPolarHBondContact SD-CD1 3.5Å; V53-L107 HydrophobicContact CG2-CD2 4.23Å; L103-L107 HydrophobicContact CB-CD1 4.1Å; L103-L107 HydrophobicContact CD2-CD1 4.07Å; L103-L107 HydrophobicContact CD2-CG 4.47Å; L103-L107 WeakPolarHBondContact O-CB 3.31Å; L103-L107 WeakPolarHBondContact O-CG 3.39Å; L103-L107 PolarHBondContact O-N 3.02Å |
| 108 | V | 93.9 | Very high | 91.8 | Very high | 79 Ų | 79 | 65 Ų | 65 | 48% | 0.479 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 127.9 | 170.7 | -175.9 | 0 | 0 | 0 | 0 | 108 | V28 R29 S110 | V28-V108 CarbonylContact C-O 3.57Å; V28-V108 WeakPolarHBondContact CA-O 3.44Å; R29-V108 PolarHBondContact N-O 3.42Å; R29-V108 PolarHBondContact O-N 3.47Å; V108-S110 PolarHBondContact O-N 3.12Å |
| 109 | T | 87.6 | Confident | 91.7 | Very high | 87 Ų | 87 | 67.1 Ų | 67.1 | 53% | 0.534 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 131.3 | 174 | -52.5 | 0 | 0 | 0 | 0 | 109.7 | Q26 | Q26-T109 HydrophobicContact CG-CG2 4.06Å |
| 110 | S | 70.3 | Confident | 91.5 | Very high | 114 Ų | 114 | 71.5 Ų | 71.5 | 80% | 0.797 | 36% | 0.364 | S | S | * | . | trans | -97.6 | 0 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 112 | Q27 V108 | Q27-S110 PolarHBondContact O-N 3.2Å; Q27-S110 VanDerWaalsContact O-N 3.12Å; V108-S110 PolarHBondContact O-N 3.12Å |
Retrieved 110 of 110 residues in 382.5 ms
(Link to these results)