| 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 | 61.2 | Low | 82.8 | Confident | 215 Ų | 215 | 89 Ų | 89 | 100% | 1.059 | 51% | 0.511 | S | S | * | . | 0 | 120.8 | 0 | -170.4 | -177.6 | -66.2 | 0 | 0 | 105.7 | |||||
| 2 | V | 71.8 | Confident | 83.4 | Confident | 149 Ų | 149 | 81.6 Ų | 81.6 | 90% | 0.903 | 47% | 0.468 | S | S | * | . | trans | -93.6 | 128.1 | 171 | 179.9 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 3 | A | 78 | Confident | 83.6 | Confident | 43 Ų | 43 | 79.1 Ų | 79.1 | 36% | 0.355 | 46% | 0.458 | S | S | . | . | trans | -150.7 | 141.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P16 | A3-P16 HydrophobicContact CB-CB 4.04Š| ||
| 4 | D | 79.2 | Confident | 82.6 | Confident | 107 Ų | 107 | 77.2 Ų | 77.2 | 57% | 0.572 | 45% | 0.448 | S | S | * | . | trans | -85.5 | 153.5 | 170.7 | -55.6 | -34.9 | 0 | 0 | 0 | 110 | I19 | D4-I19 HydrophobicContact CB-CD1 3.38Å; D4-I19 HydrophobicContact CB-CG1 4.14Å | ||
| 5 | I | 81.5 | Confident | 81.4 | Confident | 37 Ų | 37 | 76.3 Ų | 76.3 | 19% | 0.19 | 44% | 0.439 | C | S | . | . | trans | -123 | 119.2 | 179.6 | -55.1 | -162.6 | 0 | 0 | 0 | 109.1 | I7 I12 M15 L35 V355 | I5-I7 HydrophobicContact CG2-CG1 4.33Å; I5-I12 HydrophobicContact CG2-CG1 4.25Å; I5-I12 HydrophobicContact CG2-CG2 3.79Å; I5-M15 HydrophobicContact CD1-SD 3.82Å; I5-M15 HydrophobicContact CG1-CG 4.2Å; I5-M15 HydrophobicContact CG1-SD 4.11Å; I5-L35 HydrophobicContact CB-CD2 4.17Å; I5-L35 HydrophobicContact CD1-CD2 3.34Å; I5-L35 HydrophobicContact CD1-CG 4.18Å; I5-L35 HydrophobicContact CG1-CD2 3.69Å; I5-V355 HydrophobicContact CD1-CG1 3.21Å | ||
| 6 | L | 85.9 | Confident | 79.7 | Confident | 45 Ų | 45 | 77.3 Ų | 77.3 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 125.3 | 169 | -177.9 | 62.8 | 0 | 0 | 0 | 110.1 | C13 V14 I19 | L6-C13 HydrophobicContact CD2-CB 4.43Å; L6-C13 HydrophobicContact CG-CB 4.48Å; L6-C13 PolarHBondContact O-N 3.37Å; L6-V14 HydrophobicContact CB-CB 4.02Å; L6-V14 HydrophobicContact CB-CG2 4.3Å; L6-V14 HydrophobicContact CD2-CG2 4.02Å; L6-I19 HydrophobicContact CB-CD1 4.43Å |
| 7 | I | 87.9 | Confident | 78.2 | Confident | 55 Ų | 55 | 75.5 Ų | 75.5 | 28% | 0.282 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 129.2 | 173 | -62.2 | 168.1 | 0 | 0 | 0 | 108.7 | I5 K11 A361 L363 I401 | I5-I7 HydrophobicContact CG2-CG1 4.33Å; I7-K11 CarbonylContact C-O 3.59Å; I7-K11 WeakPolarHBondContact CA-O 3.42Å; I7-A361 HydrophobicContact CB-CB 4.33Å; I7-A361 HydrophobicContact CD1-CB 4.04Å; I7-A361 HydrophobicContact CG1-CB 3.91Å; I7-A361 HydrophobicContact CG2-CB 3.53Å; I7-L363 HydrophobicContact CD1-CD1 3.93Å; I7-I401 HydrophobicContact CD1-CD1 4.35Å; I7-I401 HydrophobicContact CD1-CG2 4.43Å |
| 8 | K | 89.4 | Confident | 76.8 | Confident | 155 Ų | 155 | 82.4 Ų | 82.4 | 67% | 0.674 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -143 | 132.7 | 173.9 | -172.2 | 177.7 | -179.6 | 173.8 | 0 | 110.2 | G10 K11 | K8-G10 PolarHBondContact O-N 3.05Å; K8-G10 VanDerWaalsContact O-N 3.15Å; K8-K11 PolarHBondContact N-O 3.38Å; K8-K11 PolarHBondContact O-N 3.45Å |
| 9 | G | 90.1 | Very high | 76.1 | Confident | 83 Ų | 83 | 80.9 Ų | 80.9 | 86% | 0.856 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 28.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | K11 | G9-K11 VanDerWaalsContact C-N 3.33Š|
| 10 | G | 92.5 | Very high | 75.1 | Confident | 17 Ų | 17 | 84.8 Ų | 84.8 | 18% | 0.175 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78 | 11.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | K8 A361 G403 | K8-G10 PolarHBondContact O-N 3.05Å; K8-G10 VanDerWaalsContact O-N 3.15Å; G10-A361 WeakPolarHBondContact O-CB 3.43Å; G10-A361 PolarHBondContact O-N 3.27Å; G10-G403 VanDerWaalsContact CA-C 3.43Å; G10-G403 WeakPolarHBondContact CA-O 3.42Å |
| 11 | K | 93.6 | Very high | 74.1 | Confident | 73 Ų | 73 | 92.6 Ų | 92.6 | 32% | 0.317 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 155.1 | 177.4 | -65.6 | -62.8 | -161 | 163.3 | 0 | 111.4 | I7 K8 G9 D358 S359 D360 | I7-K11 CarbonylContact C-O 3.59Å; I7-K11 WeakPolarHBondContact CA-O 3.42Å; K8-K11 PolarHBondContact N-O 3.38Å; K8-K11 PolarHBondContact O-N 3.45Å; G9-K11 VanDerWaalsContact C-N 3.33Å; K11-D358 PolarHBondContact NZ-O 3.49Å; K11-S359 WeakPolarHBondContact CA-O 3.31Å; K11-S359 WeakPolarHBondContact CD-O 3.34Å; K11-D360 WeakPolarHBondContact CE-OD1 3.37Å; K11-D360 IonicContact NZ-OD1 2.66Å; K11-D360 PolarHBondContact NZ-OD1 3.33Å |
| 12 | I | 89.7 | Confident | 73.8 | Confident | 0 Ų | 0 | 89.9 Ų | 89.9 | 0% | 0 | 49% | 0.493 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 124 | 169.5 | -61.6 | 173.5 | 0 | 0 | 0 | 108.7 | I5 M15 V355 A356 V357 D358 S359 A361 L363 | I5-I12 HydrophobicContact CG2-CG1 4.25Å; I5-I12 HydrophobicContact CG2-CG2 3.79Å; I12-M15 HydrophobicContact CG2-CG 4.18Å; I12-M15 HydrophobicContact CG2-SD 4.36Å; I12-V355 HydrophobicContact CD1-CG1 3.9Å; I12-A356 WeakPolarHBondContact CB-O 3.3Å; I12-V357 CarbonylContact O-C 3.56Å; I12-V357 WeakPolarHBondContact O-CA 3.36Å; I12-D358 PolarHBondContact O-N 2.87Å; I12-S359 PolarHBondContact N-O 2.9Å; I12-A361 HydrophobicContact CG1-CB 4.31Å; I12-L363 HydrophobicContact CD1-CD2 4.19Å |
| 13 | C | 85.4 | Confident | 73.1 | Confident | 49 Ų | 49 | 85.4 Ų | 85.4 | 33% | 0.331 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | -34.1 | -173 | -70.1 | 0 | 0 | 0 | 0 | 114.8 | L6 | L6-C13 HydrophobicContact CD2-CB 4.43Å; L6-C13 HydrophobicContact CG-CB 4.48Å; L6-C13 PolarHBondContact O-N 3.37Å |
| 14 | V | 70.8 | Confident | 72.1 | Confident | 53 Ų | 53 | 92.3 Ų | 92.3 | 32% | 0.321 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.6 | 132 | -175.1 | -179.9 | 0 | 0 | 0 | 0 | 110.4 | L6 | L6-V14 HydrophobicContact CB-CB 4.02Å; L6-V14 HydrophobicContact CB-CG2 4.3Å; L6-V14 HydrophobicContact CD2-CG2 4.02Å |
| 15 | M | 63.4 | Low | 71.1 | Confident | 63 Ų | 63 | 94 Ų | 94 | 31% | 0.31 | 50% | 0.5 | S | S | . | . | trans | -161.1 | 135.6 | 165.1 | -61.6 | -167.5 | -39.6 | 0 | 0 | 109.8 | I5 I12 V355 | I5-M15 HydrophobicContact CD1-SD 3.82Å; I5-M15 HydrophobicContact CG1-CG 4.2Å; I5-M15 HydrophobicContact CG1-SD 4.11Å; I12-M15 HydrophobicContact CG2-CG 4.18Å; I12-M15 HydrophobicContact CG2-SD 4.36Å; M15-V355 HydrophobicContact CE-CG1 4.26Å; M15-V355 WeakPolarHBondContact CE-O 3.4Å; M15-V355 HydrophobicContact SD-CB 4.45Å; M15-V355 HydrophobicContact SD-CG1 3.42Å; M15-V355 WeakPolarHBondContact SD-CG1 3.26Å | ||
| 16 | P | 54.3 | Low | 70.3 | Confident | 92 Ų | 92 | 99.6 Ų | 99.6 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | S | Bend | cis | -93.1 | 152.2 | -32.1 | 26.2 | -11.1 | 0 | 0 | 0 | 112.1 | A3 | A3-P16 HydrophobicContact CB-CB 4.04Š|
| 17 | G | 55 | Low | 69.1 | Low | 48 Ų | 48 | 100.6 Ų | 100.6 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | S | Bend | trans | 166 | 165.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I19 | G17-I19 PolarHBondContact O-N 3.3Š|
| 18 | E | 53.1 | Low | 67.8 | Low | 199 Ų | 199 | 105.7 Ų | 105.7 | 93% | 0.93 | 55% | 0.554 | S | S | * | * | trans | -54.8 | 113.6 | 175.5 | -78.4 | -173.1 | 158.2 | 0 | 0 | 109.7 | E20 | E18-E20 PolarHBondContact O-N 3.2Š| ||
| 19 | I | 62.5 | Low | 66.4 | Low | 55 Ų | 55 | 102.6 Ų | 102.6 | 28% | 0.282 | 55% | 0.55 | S | S | . | . | trans | -68.1 | 116.3 | 167.1 | -61.8 | -177.9 | 0 | 0 | 0 | 106.1 | D4 L6 G17 R21 C23 | D4-I19 HydrophobicContact CB-CD1 3.38Å; D4-I19 HydrophobicContact CB-CG1 4.14Å; L6-I19 HydrophobicContact CB-CD1 4.43Å; G17-I19 PolarHBondContact O-N 3.3Å; I19-R21 PolarHBondContact O-N 3.44Å; I19-C23 HydrophobicContact CG2-CB 3.96Å; I19-C23 WeakPolarHBondContact CG2-SG 3.18Å | ||
| 20 | E | 57.7 | Low | 65.1 | Low | 158 Ų | 158 | 102.7 Ų | 102.7 | 74% | 0.738 | 53% | 0.53 | S | S | * | . | trans | -54.2 | 138.3 | 176.9 | -73.2 | -177.4 | 160.4 | 0 | 0 | 110.6 | E18 D22 C23 | E18-E20 PolarHBondContact O-N 3.2Å; E20-D22 PolarHBondContact O-N 3.23Å; E20-C23 PolarHBondContact O-N 3.33Å; E20-C23 PolarHBondContact O-SG 2.76Å; E20-C23 VanDerWaalsContact O-SG 3.38Å | ||
| 21 | R | 53.4 | Low | 63.4 | Low | 249 Ų | 249 | 108.5 Ų | 108.5 | 94% | 0.94 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -6.7 | -170.6 | -74.5 | -175.7 | 178.2 | 177.5 | -0.1 | 115.8 | I19 C23 | I19-R21 PolarHBondContact O-N 3.44Å; R21-C23 PolarHBondContact O-N 2.87Å |
| 22 | D | 55.7 | Low | 61.7 | Low | 158 Ų | 158 | 111.8 Ų | 111.8 | 85% | 0.845 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 4.3 | -179.5 | -66.6 | -9.8 | 0 | 0 | 0 | 113.1 | E20 | E20-D22 PolarHBondContact O-N 3.23Š|
| 23 | C | 56.6 | Low | 60.7 | Low | 55 Ų | 55 | 113.8 Ų | 113.8 | 37% | 0.372 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -80.7 | 125.5 | 172.8 | -59.3 | 0 | 0 | 0 | 0 | 110.6 | I19 E20 R21 L25 | I19-C23 HydrophobicContact CG2-CB 3.96Å; I19-C23 WeakPolarHBondContact CG2-SG 3.18Å; E20-C23 PolarHBondContact O-N 3.33Å; E20-C23 PolarHBondContact O-SG 2.76Å; E20-C23 VanDerWaalsContact O-SG 3.38Å; R21-C23 PolarHBondContact O-N 2.87Å; C23-L25 PolarHBondContact O-N 3.18Å |
| 24 | Q | 56.7 | Low | 60.1 | Low | 187 Ų | 187 | 115 Ų | 115 | 87% | 0.874 | 59% | 0.589 | S | S | * | * | trans | -68.1 | 120.1 | 166.8 | -80 | -174 | -20.7 | 0 | 0 | 109.2 | E26 | Q24-E26 PolarHBondContact O-N 2.99Š| ||
| 25 | L | 58.3 | Low | 60.3 | Low | 142 Ų | 142 | 116.1 Ų | 116.1 | 74% | 0.743 | 59% | 0.593 | S | S | * | * | trans | -68.5 | 109.7 | 165.3 | -84.4 | 146.6 | 0 | 0 | 0 | 107.9 | C23 N27 | C23-L25 PolarHBondContact O-N 3.18Å; L25-N27 VanDerWaalsContact C-N 3.31Å; L25-N27 WeakPolarHBondContact CD2-O 3.38Å | ||
| 26 | E | 64 | Low | 61 | Low | 156 Ų | 156 | 113.8 Ų | 113.8 | 73% | 0.729 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -72.2 | -29.1 | 172 | -76 | -169.8 | 163.4 | 0 | 0 | 111.7 | Q24 | Q24-E26 PolarHBondContact O-N 2.99Š|
| 27 | N | 61.3 | Low | 62.8 | Low | 65 Ų | 65 | 109.7 Ų | 109.7 | 35% | 0.348 | 56% | 0.557 | S | S | . | * | S | Bend | trans | -139.5 | 153.8 | 179.6 | -84.6 | -22.6 | 0 | 0 | 0 | 111 | L25 I406 E409 | L25-N27 VanDerWaalsContact C-N 3.31Å; L25-N27 WeakPolarHBondContact CD2-O 3.38Å; N27-I406 WeakPolarHBondContact ND2-CD1 3.34Å; N27-E409 PolarHBondContact ND2-OE1 3.05Å |
| 28 | E | 59.7 | Low | 64.7 | Low | 162 Ų | 162 | 107.4 Ų | 107.4 | 76% | 0.757 | 53% | 0.534 | S | S | * | . | trans | -60.1 | 152.5 | 173.2 | -71.9 | -67.4 | 162.8 | 0 | 0 | 111.7 | L30 | E28-L30 PolarHBondContact O-N 2.86Š| ||
| 29 | P | 60 | Low | 66.9 | Low | 90 Ų | 90 | 98 Ų | 98 | 58% | 0.584 | 49% | 0.49 | S | S | * | . | trans | -55.1 | 123.3 | 177.3 | -23.5 | 32.9 | 0 | 0 | 0 | 112.2 | I31 | P29-I31 PolarHBondContact O-N 2.98Š| ||
| 30 | L | 63 | Low | 68.6 | Low | 86 Ų | 86 | 95.4 Ų | 95.4 | 45% | 0.45 | 48% | 0.477 | S | S | . | . | trans | -87.2 | 100.6 | -178.2 | -67.3 | 164.9 | 0 | 0 | 0 | 110.1 | E28 L33 V365 I399 | E28-L30 PolarHBondContact O-N 2.86Å; L30-L33 HydrophobicContact CB-CB 4.39Å; L30-L33 HydrophobicContact CB-CD1 3.87Å; L30-L33 HydrophobicContact CB-CG 4.36Å; L30-L33 HydrophobicContact CD1-CD1 4.47Å; L30-L33 HydrophobicContact CD2-CD1 3.69Å; L30-L33 HydrophobicContact CG-CD1 4.19Å; L30-V365 HydrophobicContact CD1-CB 4.41Å; L30-V365 HydrophobicContact CD1-CG1 3.77Å; L30-V365 HydrophobicContact CD1-CG2 3.81Å; L30-I399 HydrophobicContact CD1-CD1 4.07Å | ||
| 31 | I | 56.5 | Low | 70.6 | Confident | 139 Ų | 139 | 87.9 Ų | 87.9 | 71% | 0.713 | 44% | 0.442 | S | S | * | . | trans | -87.9 | 139 | -177.7 | -60 | 173.6 | 0 | 0 | 0 | 109.7 | P29 L33 | P29-I31 PolarHBondContact O-N 2.98Å; I31-L33 PolarHBondContact O-N 2.93Å | ||
| 32 | L | 57.9 | Low | 72.7 | Confident | 141 Ų | 141 | 76 Ų | 76 | 74% | 0.738 | 40% | 0.397 | S | S | * | . | S | Bend | trans | 65.8 | 8.4 | -179.9 | -62.9 | 162.9 | 0 | 0 | 0 | 116.3 | ||
| 33 | L | 68.8 | Low | 74.7 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | trans | -93 | 145.8 | 174.9 | -56.8 | -173.9 | 0 | 0 | 0 | 111.2 | L30 I31 V365 D367 | L30-L33 HydrophobicContact CB-CB 4.39Å; L30-L33 HydrophobicContact CB-CD1 3.87Å; L30-L33 HydrophobicContact CB-CG 4.36Å; L30-L33 HydrophobicContact CD1-CD1 4.47Å; L30-L33 HydrophobicContact CD2-CD1 3.69Å; L30-L33 HydrophobicContact CG-CD1 4.19Å; I31-L33 PolarHBondContact O-N 2.93Å; L33-V365 HydrophobicContact CB-CG1 3.76Å; L33-V365 HydrophobicContact CD1-CG1 3.31Å; L33-V365 HydrophobicContact CG-CG1 4.12Å; L33-D367 HydrophobicContact CD2-CB 3.45Å; L33-D367 VanDerWaalsContact CD2-CB 3.45Å | ||
| 34 | L | 74.4 | Confident | 76.7 | Confident | 75 Ų | 75 | 66.1 Ų | 66.1 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 117 | 174.3 | -65.9 | 171.8 | 0 | 0 | 0 | 108.7 | A36 W320 W366 P368 | L34-A36 PolarHBondContact O-N 2.99Å; L34-W320 HydrophobicContact CD1-CH2 3.44Å; L34-W320 VanDerWaalsContact CD1-CH2 3.44Å; L34-W320 HydrophobicContact CD1-CZ2 4.14Å; L34-W320 HydrophobicContact CD1-CZ3 4.29Å; L34-W366 HydrophobicContact CB-CB 4.32Å; L34-W366 PolarHBondContact N-O 3.02Å; L34-W366 PolarHBondContact O-N 3.43Å; L34-P368 HydrophobicContact CD1-CB 4.37Å; L34-P368 HydrophobicContact CD1-CG 4.43Å |
| 35 | L | 74.5 | Confident | 78.6 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 40% | 0.398 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 110.3 | 167.3 | -169.4 | 58.5 | 0 | 0 | 0 | 108.7 | I5 L363 V365 | I5-L35 HydrophobicContact CB-CD2 4.17Å; I5-L35 HydrophobicContact CD1-CD2 3.34Å; I5-L35 HydrophobicContact CD1-CG 4.18Å; I5-L35 HydrophobicContact CG1-CD2 3.69Å; L35-L363 HydrophobicContact CD1-CB 4.06Å; L35-L363 HydrophobicContact CD1-CD1 4.25Å; L35-V365 HydrophobicContact CD1-CG2 4.06Å |
| 36 | A | 77.9 | Confident | 80.5 | Confident | 15 Ų | 15 | 51.7 Ų | 51.7 | 12% | 0.124 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 165.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L34 V335 L363 V364 | L34-A36 PolarHBondContact O-N 2.99Å; A36-V335 HydrophobicContact CB-CG2 4.22Å; A36-L363 WeakPolarHBondContact O-CA 3.2Å; A36-V364 HydrophobicContact CB-CG1 3.83Å; A36-V364 PolarHBondContact N-O 3.37Å; A36-V364 PolarHBondContact O-N 3.25Å |
| 37 | V | 91 | Very high | 82 | Confident | 5 Ų | 5 | 44.6 Ų | 44.6 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 142.4 | 167.4 | -62.5 | 0 | 0 | 0 | 0 | 109.6 | V335 V355 | V37-V335 HydrophobicContact CG2-CG1 3.57Å; V37-V355 HydrophobicContact CG1-CB 4.44Å; V37-V355 HydrophobicContact CG1-CG2 3.49Å; V37-V355 VanDerWaalsContact CG1-CG2 3.49Å; V37-V355 VanDerWaalsContact CG1-N 3.31Å |
| 38 | G | 95.9 | Very high | 83.5 | Confident | 1 Ų | 1 | 41.8 Ų | 41.8 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 145.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | T72 S339 D362 | G38-T72 WeakPolarHBondContact CA-OG1 3.46Å; G38-S339 WeakPolarHBondContact O-CB 3.43Å; G38-S339 PolarHBondContact O-OG 2.98Å; G38-D362 PolarHBondContact N-O 2.93Å |
| 39 | G | 98.5 | Very high | 85 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 143.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | G70 T71 T72 M73 | G39-G70 PolarHBondContact N-O 2.78Å; G39-T71 CarbonylContact O-C 3.51Å; G39-T71 WeakPolarHBondContact O-CA 3.26Å; G39-T71 VanDerWaalsContact O-CG2 3.31Å; G39-T71 WeakPolarHBondContact O-CG2 3.46Å; G39-T72 PolarHBondContact O-N 3.16Å; G39-T72 PolarHBondContact O-OG1 2.86Å; G39-M73 PolarHBondContact O-N 2.88Å |
| 40 | I | 98.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 114.9 | 168.4 | -56.8 | 175.2 | 0 | 0 | 0 | 107.4 | M73 R315 I338 A342 A343 K352 | I40-M73 WeakPolarHBondContact CA-O 3.27Å; I40-M73 HydrophobicContact CG1-CB 4.23Å; I40-M73 HydrophobicContact CG2-CB 4.37Å; I40-M73 HydrophobicContact CG2-CG 4.41Å; I40-M73 HydrophobicContact CG2-SD 4.3Å; I40-R315 PolarHBondContact O-NH1 3.28Å; I40-I338 PolarHBondContact N-O 2.58Å; I40-I338 VanDerWaalsContact O-O 3.04Å; I40-A342 HydrophobicContact CB-CB 4.11Å; I40-A342 HydrophobicContact CG2-CB 3.94Å; I40-A343 HydrophobicContact CD1-CB 3.71Å; I40-K352 HydrophobicContact CD1-CB 3.95Å |
| 41 | D | 98.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 104.8 | 175.6 | -165.6 | -12.1 | 0 | 0 | 0 | 110.3 | H43 T44 T71 M73 I74 I75 S284 S285 R315 | D41-H43 PolarHBondContact O-N 3.1Å; D41-H43 PolarHBondContact OD1-N 2.87Å; D41-T44 HydrophobicContact CB-CG2 4.17Å; D41-T71 HydrophobicContact CB-CG2 3.89Å; D41-M73 PolarHBondContact N-O 3.38Å; D41-I74 HydrophobicContact CB-CG2 4.28Å; D41-I74 CarbonylContact O-C 3.58Å; D41-I74 WeakPolarHBondContact O-CA 3.34Å; D41-I75 PolarHBondContact O-N 3.48Å; D41-S284 WeakPolarHBondContact OD1-CA 3.26Å; D41-S284 WeakPolarHBondContact OD1-CB 3Å; D41-S285 VanDerWaalsContact CG-OG 3.32Å; D41-S285 PolarHBondContact OD1-N 3.37Å; D41-S285 PolarHBondContact OD1-OG 3.42Å; D41-S285 WeakPolarHBondContact OD2-CB 3.46Å; D41-S285 PolarHBondContact OD2-N 2.87Å; D41-S285 PolarHBondContact OD2-OG 3.34Å; D41-R315 IonicContact OD2-NE 2.74Å |
| 42 | S | 98.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.007 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | -3.9 | -175.4 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | R166 E231 I282 | S42-R166 PolarHBondContact O-NH2 3.2Å; S42-E231 PolarHBondContact OG-OE2 2.94Å; S42-I282 VanDerWaalsContact OG-CG2 3.31Å; S42-I282 WeakPolarHBondContact OG-CG2 3.3Å |
| 43 | H | 97.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.019 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 91.9 | -173.5 | -150.6 | 139.6 | 0 | 0 | 0 | 113.2 | D41 H45 R166 P207 F208 S285 G286 | D41-H43 PolarHBondContact O-N 3.1Å; D41-H43 PolarHBondContact OD1-N 2.87Å; H43-H45 AromaticContact CD2-CD2 3.8Å; H43-H45 AromaticContact CD2-CE1 3.93Å; H43-H45 AromaticContact CD2-NE2 3.13Å; H43-H45 PolarHBondContact CD2-NE2 3.36Å; H43-H45 AromaticContact NE2-CE1 3.55Å; H43-H45 AromaticContact NE2-NE2 2.92Å; H43-H45 PolarHBondContact NE2-NE2 3.02Å; H43-R166 PolarHBondContact ND1-NH2 2.98Å; H43-P207 VanDerWaalsContact CE1-CB 3.48Å; H43-P207 WeakPolarHBondContact CE1-CB 3.44Å; H43-P207 VanDerWaalsContact ND1-CB 3.33Å; H43-P207 WeakPolarHBondContact ND1-CB 3.49Å; H43-F208 AromaticContact CD2-CZ 3.78Å; H43-F208 AromaticContact CE1-CE2 3.18Å; H43-F208 WeakPolarHBondContact CE1-CE2 3.42Å; H43-F208 AromaticContact CE1-CZ 3.5Å; H43-F208 VanDerWaalsContact CE1-CZ 3.5Å; H43-F208 WeakPolarHBondContact CE1-CZ 3.47Å; H43-F208 AromaticContact ND1-CE2 3.8Å; H43-F208 AromaticContact ND1-CZ 3.86Å; H43-F208 AromaticContact NE2-CE2 3.47Å; H43-F208 WeakPolarHBondContact NE2-CE2 3.3Å; H43-F208 AromaticContact NE2-CZ 3.43Å; H43-F208 WeakPolarHBondContact NE2-CZ 3.4Å; H43-S285 PolarHBondContact O-OG 3.18Å; H43-G286 VanDerWaalsContact O-CA 3.24Å; H43-G286 WeakPolarHBondContact O-CA 3.49Å; H43-G286 PolarHBondContact O-N 3.33Å |
| 44 | T | 98.3 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 157.5 | 171.5 | 64.4 | 0 | 0 | 0 | 0 | 111.8 | D41 F46 I74 I75 N76 C77 | D41-T44 HydrophobicContact CB-CG2 4.17Å; T44-F46 HydrophobicContact CG2-CE1 4.27Å; T44-F46 HydrophobicContact CG2-CE2 4.12Å; T44-F46 HydrophobicContact CG2-CZ 3.74Å; T44-I74 HydrophobicContact CG2-CB 4.15Å; T44-I74 HydrophobicContact CG2-CG2 4.13Å; T44-I75 PolarHBondContact N-O 2.95Å; T44-N76 VanDerWaalsContact C-OD1 3.25Å; T44-N76 PolarHBondContact O-OD1 3.01Å; T44-N76 WeakPolarHBondContact OG1-CA 3.4Å; T44-N76 WeakPolarHBondContact OG1-CB 3.37Å; T44-N76 PolarHBondContact OG1-OD1 2.97Å; T44-C77 PolarHBondContact O-N 3.44Å |
| 45 | H | 97.3 | Very high | 92.6 | Very high | 25 Ų | 25 | 28 Ų | 28 | 12% | 0.116 | 16% | 0.156 | C | C | . | . | trans | -133.4 | 64.9 | 176.4 | -65 | -80.4 | 0 | 0 | 0 | 111.2 | H43 G47 C48 S55 N76 C77 H287 C288 | H43-H45 AromaticContact CD2-CD2 3.8Å; H43-H45 AromaticContact CD2-CE1 3.93Å; H43-H45 AromaticContact CD2-NE2 3.13Å; H43-H45 PolarHBondContact CD2-NE2 3.36Å; H43-H45 AromaticContact NE2-CE1 3.55Å; H43-H45 AromaticContact NE2-NE2 2.92Å; H43-H45 PolarHBondContact NE2-NE2 3.02Å; H45-G47 PolarHBondContact O-N 2.92Å; H45-C48 HydrophobicContact CB-CB 3.96Å; H45-C48 VanDerWaalsContact CB-SG 3.59Å; H45-S55 PolarHBondContact O-OG 2.86Å; H45-N76 PolarHBondContact N-OD1 3.38Å; H45-C77 VanDerWaalsContact CE1-CB 3.41Å; H45-C77 WeakPolarHBondContact CE1-CB 3.47Å; H45-H287 WeakPolarHBondContact CB-O 3.46Å; H45-H287 PolarHBondContact N-O 2.86Å; H45-C288 HydrophobicContact CB-CB 4.07Å | ||
| 46 | F | 97.7 | Very high | 93.7 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | 119.1 | -178.8 | -59.6 | -37.8 | 0 | 0 | 0 | 112.2 | T44 C48 D57 F59 G62 T63 I74 N76 W93 H287 A312 | T44-F46 HydrophobicContact CG2-CE1 4.27Å; T44-F46 HydrophobicContact CG2-CE2 4.12Å; T44-F46 HydrophobicContact CG2-CZ 3.74Å; F46-C48 VanDerWaalsContact C-N 3.28Å; F46-C48 PolarHBondContact O-N 2.94Å; F46-D57 CarbonylContact C-O 3.57Å; F46-F59 HydrophobicContact CB-CD1 4.32Å; F46-F59 HydrophobicContact CB-CE1 4.49Å; F46-F59 HydrophobicContact CB-CG 4.45Å; F46-F59 AromaticContact CD2-CD1 3.85Å; F46-F59 HydrophobicContact CD2-CD1 3.85Å; F46-F59 HydrophobicContact CD2-CE1 4.15Å; F46-G62 VanDerWaalsContact CE1-CA 3.43Å; F46-T63 HydrophobicContact CE2-CG2 4.21Å; F46-I74 HydrophobicContact CD2-CD1 4.16Å; F46-I74 HydrophobicContact CE2-CB 4.29Å; F46-I74 HydrophobicContact CE2-CD1 3.91Å; F46-I74 HydrophobicContact CE2-CG1 4.03Å; F46-I74 HydrophobicContact CE2-CG2 4.14Å; F46-I74 HydrophobicContact CZ-CG2 4.38Å; F46-N76 PolarHBondContact N-OD1 3.1Å; F46-W93 WeakPolarHBondContact O-CH2 3.47Å; F46-W93 WeakPolarHBondContact O-CZ3 3.45Å; F46-H287 AromaticContact CD1-CD2 3.83Å; F46-H287 HydrophobicContact CE1-CB 4.41Å; F46-H287 AromaticContact CE1-CD2 3.51Å; F46-A312 HydrophobicContact CE1-CB 4.49Å; F46-A312 HydrophobicContact CZ-CB 4.47Å |
| 47 | G | 94.5 | Very high | 94.7 | Very high | 8 Ų | 8 | 25 Ų | 25 | 8% | 0.082 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.8 | 15.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | H45 R54 S55 D57 | H45-G47 PolarHBondContact O-N 2.92Å; G47-R54 PolarHBondContact O-NE 3.11Å; G47-S55 WeakPolarHBondContact CA-OG 3.35Å; G47-S55 PolarHBondContact N-OG 3.01Å; G47-D57 PolarHBondContact N-O 3.17Å |
| 48 | C | 93.3 | Very high | 95.1 | Very high | 6 Ų | 6 | 26.7 Ų | 26.7 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | trans | -71.4 | 173.3 | 179.1 | 78.2 | 0 | 0 | 0 | 0 | 112 | H45 F46 R54 S55 D79 W93 C288 | H45-C48 HydrophobicContact CB-CB 3.96Å; H45-C48 VanDerWaalsContact CB-SG 3.59Å; F46-C48 VanDerWaalsContact C-N 3.28Å; F46-C48 PolarHBondContact O-N 2.94Å; C48-R54 CarbonylContact O-C 3.47Å; C48-R54 VanDerWaalsContact O-CA 3.29Å; C48-R54 WeakPolarHBondContact O-CA 3.12Å; C48-S55 PolarHBondContact N-OG 2.95Å; C48-S55 PolarHBondContact O-N 2.99Å; C48-D79 HydrophobicContact CB-CB 4.35Å; C48-W93 HydrophobicContact CB-CH2 4.19Å; C48-C288 PolarHBondContact SG-SG 3.04Å | ||
| 49 | Q | 90.6 | Very high | 95.2 | Very high | 118 Ų | 118 | 26.8 Ų | 26.8 | 55% | 0.551 | 15% | 0.148 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 138.2 | 169.6 | -65.4 | -173.6 | -24.3 | 0 | 0 | 111.9 | I53 D79 | Q49-I53 CarbonylContact C-O 3.55Å; Q49-I53 WeakPolarHBondContact CA-O 3.29Å; Q49-D79 PolarHBondContact N-OD2 3.37Å |
| 50 | S | 88.2 | Confident | 95.2 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 13% | 0.126 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.5 | 170.8 | -171.1 | 0 | 0 | 0 | 0 | 108.4 | G52 I53 F290 Q307 | S50-G52 PolarHBondContact O-N 3.25Å; S50-G52 VanDerWaalsContact O-N 3.15Å; S50-I53 PolarHBondContact N-O 2.96Å; S50-I53 WeakPolarHBondContact O-CB 3.46Å; S50-I53 PolarHBondContact O-N 2.81Å; S50-F290 VanDerWaalsContact CB-CZ 3.44Å; S50-Q307 PolarHBondContact OG-N 2.63Å; S50-Q307 PolarHBondContact OG-O 2.55Å |
| 51 | M | 84.2 | Confident | 95.1 | Very high | 70 Ų | 70 | 28.1 Ų | 28.1 | 35% | 0.345 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 36.7 | -176.2 | -56.4 | -56.7 | -177.4 | 0 | 0 | 113.7 | I53 Q307 | M51-I53 PolarHBondContact O-N 3.37Å; M51-Q307 HydrophobicContact CE-CG 4.37Å |
| 52 | G | 86.9 | Confident | 95.1 | Very high | 68 Ų | 68 | 28.1 Ų | 28.1 | 70% | 0.701 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 75.7 | 3.9 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115 | S50 | S50-G52 PolarHBondContact O-N 3.25Å; S50-G52 VanDerWaalsContact O-N 3.15Å |
| 53 | I | 91.4 | Very high | 95.2 | Very high | 34 Ų | 34 | 28.1 Ų | 28.1 | 17% | 0.174 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.9 | 179.2 | -62.1 | 170.7 | 0 | 0 | 0 | 108.9 | Q49 S50 M51 F290 Q294 T298 P306 | Q49-I53 CarbonylContact C-O 3.55Å; Q49-I53 WeakPolarHBondContact CA-O 3.29Å; S50-I53 PolarHBondContact N-O 2.96Å; S50-I53 WeakPolarHBondContact O-CB 3.46Å; S50-I53 PolarHBondContact O-N 2.81Å; M51-I53 PolarHBondContact O-N 3.37Å; I53-F290 HydrophobicContact CB-CE1 4.41Å; I53-F290 HydrophobicContact CG2-CD1 3.9Å; I53-F290 HydrophobicContact CG2-CE1 4Å; I53-Q294 HydrophobicContact CG2-CB 4.07Å; I53-Q294 HydrophobicContact CG2-CG 4.06Å; I53-T298 HydrophobicContact CD1-CG2 3.7Å; I53-P306 HydrophobicContact CB-CB 4.24Å; I53-P306 HydrophobicContact CD1-CB 4.26Å; I53-P306 HydrophobicContact CD1-CG 3.95Å; I53-P306 HydrophobicContact CG2-CB 4.49Å; I53-P306 HydrophobicContact CG2-CG 4.48Å |
| 54 | R | 94.8 | Very high | 95.2 | Very high | 130 Ų | 130 | 30.4 Ų | 30.4 | 49% | 0.491 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 137 | 177.4 | -165.1 | 177.9 | -172.9 | -176 | -3.8 | 111.3 | G47 C48 Q294 | G47-R54 PolarHBondContact O-NE 3.11Å; C48-R54 CarbonylContact O-C 3.47Å; C48-R54 VanDerWaalsContact O-CA 3.29Å; C48-R54 WeakPolarHBondContact O-CA 3.12Å; R54-Q294 PolarHBondContact O-NE2 3.37Å |
| 55 | S | 96.6 | Very high | 95.2 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 5% | 0.049 | 17% | 0.169 | C | C | . | . | trans | -62.1 | 145.9 | 172.4 | 70.7 | 0 | 0 | 0 | 0 | 110.9 | H45 G47 C48 D57 A289 | H45-S55 PolarHBondContact O-OG 2.86Å; G47-S55 WeakPolarHBondContact CA-OG 3.35Å; G47-S55 PolarHBondContact N-OG 3.01Å; C48-S55 PolarHBondContact N-OG 2.95Å; C48-S55 PolarHBondContact O-N 2.99Å; S55-D57 PolarHBondContact OG-O 3.39Å; S55-A289 CarbonylContact C-O 3.29Å; S55-A289 WeakPolarHBondContact CA-O 3.38Å; S55-A289 VanDerWaalsContact CB-O 3.27Å; S55-A289 WeakPolarHBondContact CB-O 3.45Å | ||
| 56 | V | 97.8 | Very high | 95.3 | Very high | 28 Ų | 28 | 29.2 Ų | 29.2 | 17% | 0.17 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -76.1 | -31.6 | -174.8 | -64.1 | 0 | 0 | 0 | 0 | 113.1 | A289 N291 K382 A383 | V56-A289 HydrophobicContact CG2-CB 3.69Å; V56-A289 PolarHBondContact N-O 3.35Å; V56-N291 HydrophobicContact CG1-CB 4.38Å; V56-K382 HydrophobicContact CB-CB 4.18Å; V56-K382 HydrophobicContact CG2-CB 4.08Å; V56-K382 VanDerWaalsContact O-CD 3.24Å; V56-K382 WeakPolarHBondContact O-CD 3.29Å; V56-A383 HydrophobicContact CG2-CB 4.4Å |
| 57 | D | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -82.2 | 126.4 | 175.3 | -77.4 | -45.4 | 0 | 0 | 0 | 111.2 | F46 G47 S55 S61 H287 A289 S381 K382 | F46-D57 CarbonylContact C-O 3.57Å; G47-D57 PolarHBondContact N-O 3.17Å; S55-D57 PolarHBondContact OG-O 3.39Å; D57-S61 WeakPolarHBondContact CA-OG 3.44Å; D57-S61 WeakPolarHBondContact OD1-CB 3.42Å; D57-S61 PolarHBondContact OD1-OG 3.11Å; D57-H287 IonicContact OD2-CE1 3.99Å; D57-H287 PolarHBondContact OD2-CE1 2.69Å; D57-H287 IonicContact OD2-NE2 2.86Å; D57-H287 PolarHBondContact OD2-NE2 3.13Å; D57-H287 VanDerWaalsContact OD2-NE2 3.12Å; D57-A289 HydrophobicContact CB-CB 4.22Å; D57-A289 VanDerWaalsContact OD2-CB 3.28Å; D57-A289 WeakPolarHBondContact OD2-CB 3.38Å; D57-S381 WeakPolarHBondContact OD2-CA 3.35Å; D57-S381 WeakPolarHBondContact OD2-CB 3.48Å; D57-S381 PolarHBondContact OD2-OG 2.79Å; D57-S381 VanDerWaalsContact OD2-OG 3.11Å; D57-K382 PolarHBondContact OD1-N 3.08Å; D57-K382 PolarHBondContact OD2-N 3.01Å | ||
| 58 | D | 97.9 | Very high | 95.5 | Very high | 41 Ų | 41 | 28.9 Ų | 28.9 | 22% | 0.219 | 16% | 0.16 | C | C | . | . | trans | -98.5 | -174.9 | 170.6 | 55.5 | 19 | 0 | 0 | 0 | 109.9 | A60 S61 G62 K382 | D58-A60 PolarHBondContact O-N 2.66Å; D58-A60 WeakPolarHBondContact OD1-CB 3.08Å; D58-A60 PolarHBondContact OD1-N 2.7Å; D58-S61 PolarHBondContact N-OG 3.47Å; D58-S61 PolarHBondContact OD1-N 3.35Å; D58-S61 PolarHBondContact OD1-OG 3.04Å; D58-G62 WeakPolarHBondContact O-CA 3.2Å; D58-G62 PolarHBondContact O-N 3.33Å; D58-K382 IonicContact OD1-NZ 2.77Å; D58-K382 PolarHBondContact OD1-NZ 2.91Å; D58-K382 VanDerWaalsContact OD1-NZ 3.08Å; D58-K382 IonicContact OD2-NZ 3.98Å; D58-K382 PolarHBondContact OD2-NZ 3.15Å | ||
| 59 | F | 98.6 | Very high | 95.7 | Very high | 2 Ų | 2 | 28.6 Ų | 28.6 | 1% | 0.009 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -60.6 | -33.3 | 178.7 | -80 | -73.3 | 0 | 0 | 0 | 112.1 | F46 T63 I74 N76 W93 Q96 A97 Q100 V101 | F46-F59 HydrophobicContact CB-CD1 4.32Å; F46-F59 HydrophobicContact CB-CE1 4.49Å; F46-F59 HydrophobicContact CB-CG 4.45Å; F46-F59 AromaticContact CD2-CD1 3.85Å; F46-F59 HydrophobicContact CD2-CD1 3.85Å; F46-F59 HydrophobicContact CD2-CE1 4.15Å; F59-T63 WeakPolarHBondContact O-CB 3.42Å; F59-T63 WeakPolarHBondContact O-CG2 3.46Å; F59-T63 PolarHBondContact O-N 3.15Å; F59-T63 VanDerWaalsContact O-N 3.09Å; F59-T63 PolarHBondContact O-OG1 3.28Å; F59-I74 HydrophobicContact CD1-CD1 4.49Å; F59-I74 HydrophobicContact CE1-CD1 4.17Å; F59-N76 HydrophobicContact CE1-CB 3.84Å; F59-N76 HydrophobicContact CZ-CB 4.14Å; F59-W93 AromaticContact CE2-CE3 3.53Å; F59-W93 HydrophobicContact CE2-CE3 3.53Å; F59-W93 AromaticContact CE2-CZ3 3.76Å; F59-W93 HydrophobicContact CE2-CZ3 3.76Å; F59-W93 AromaticContact CZ-CE3 3.6Å; F59-W93 HydrophobicContact CZ-CE3 3.6Å; F59-W93 AromaticContact CZ-CZ3 3.81Å; F59-W93 HydrophobicContact CZ-CZ3 3.81Å; F59-Q96 HydrophobicContact CD2-CB 4.39Å; F59-A97 HydrophobicContact CD1-CB 3.81Å; F59-A97 HydrophobicContact CD2-CB 3.81Å; F59-A97 HydrophobicContact CE1-CB 3.72Å; F59-A97 HydrophobicContact CE2-CB 3.71Å; F59-A97 HydrophobicContact CG-CB 3.86Å; F59-A97 HydrophobicContact CZ-CB 3.67Å; F59-Q100 HydrophobicContact CB-CB 3.67Å; F59-V101 HydrophobicContact CB-CG1 3.99Å; F59-V101 HydrophobicContact CD1-CG1 3.75Å; F59-V101 HydrophobicContact CG-CG1 4.17Å |
| 60 | A | 98.3 | Very high | 96 | Very high | 20 Ų | 20 | 23 Ų | 23 | 17% | 0.165 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -67.9 | -59.9 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | D58 T63 K64 Q100 Y102 | D58-A60 PolarHBondContact O-N 2.66Å; D58-A60 WeakPolarHBondContact OD1-CB 3.08Å; D58-A60 PolarHBondContact OD1-N 2.7Å; A60-T63 PolarHBondContact O-OG1 2.89Å; A60-K64 VanDerWaalsContact O-CG 3.26Å; A60-K64 WeakPolarHBondContact O-CG 3.46Å; A60-K64 PolarHBondContact O-N 2.74Å; A60-K64 VanDerWaalsContact O-N 3.15Å; A60-Q100 WeakPolarHBondContact CA-O 3.43Å; A60-Q100 HydrophobicContact CB-CB 4.08Å; A60-Q100 HydrophobicContact CB-CG 4.47Å; A60-Y102 HydrophobicContact CB-CE2 4.06Å |
| 61 | S | 98.3 | Very high | 96.5 | Very high | 10 Ų | 10 | 22.1 Ų | 22.1 | 7% | 0.07 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -68.6 | -37.1 | -178.6 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | D57 D58 T63 K64 A65 K382 | D57-S61 WeakPolarHBondContact CA-OG 3.44Å; D57-S61 WeakPolarHBondContact OD1-CB 3.42Å; D57-S61 PolarHBondContact OD1-OG 3.11Å; D58-S61 PolarHBondContact N-OG 3.47Å; D58-S61 PolarHBondContact OD1-N 3.35Å; D58-S61 PolarHBondContact OD1-OG 3.04Å; S61-T63 PolarHBondContact O-N 2.91Å; S61-K64 PolarHBondContact O-N 3.37Å; S61-A65 WeakPolarHBondContact O-CB 3.42Å; S61-A65 PolarHBondContact O-N 3.16Å; S61-K382 WeakPolarHBondContact OG-CD 3.37Å; S61-K382 WeakPolarHBondContact OG-CE 3.16Å; S61-K382 PolarHBondContact OG-NZ 2.83Å |
| 62 | G | 98.5 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F46 D58 A65 A66 | F46-G62 VanDerWaalsContact CE1-CA 3.43Å; D58-G62 WeakPolarHBondContact O-CA 3.2Å; D58-G62 PolarHBondContact O-N 3.33Å; G62-A65 PolarHBondContact O-N 2.95Å; G62-A66 PolarHBondContact O-N 2.81Å |
| 63 | T | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -75.8 | -29.2 | 177.1 | 56.4 | 0 | 0 | 0 | 0 | 113.1 | F46 F59 A60 S61 A66 L67 I74 V101 Y102 | F46-T63 HydrophobicContact CE2-CG2 4.21Å; F59-T63 WeakPolarHBondContact O-CB 3.42Å; F59-T63 WeakPolarHBondContact O-CG2 3.46Å; F59-T63 PolarHBondContact O-N 3.15Å; F59-T63 VanDerWaalsContact O-N 3.09Å; F59-T63 PolarHBondContact O-OG1 3.28Å; A60-T63 PolarHBondContact O-OG1 2.89Å; S61-T63 PolarHBondContact O-N 2.91Å; T63-A66 WeakPolarHBondContact O-CB 3.32Å; T63-A66 PolarHBondContact O-N 3.3Å; T63-L67 WeakPolarHBondContact O-CG 3.46Å; T63-L67 PolarHBondContact O-N 3.37Å; T63-I74 HydrophobicContact CG2-CG1 4.14Å; T63-V101 HydrophobicContact CG2-CB 4.1Å; T63-V101 HydrophobicContact CG2-CG1 3.92Å; T63-Y102 WeakPolarHBondContact OG1-CD2 3.44Å; T63-Y102 PolarHBondContact OG1-N 3.22Å |
| 64 | K | 98.5 | Very high | 98.2 | Very high | 53 Ų | 53 | 14 Ų | 14 | 23% | 0.23 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -61.1 | -46.1 | 168.1 | -70.7 | -175.9 | 178.1 | -171.5 | 0 | 111.6 | A60 S61 A66 L67 A68 Y102 W380 V413 | A60-K64 VanDerWaalsContact O-CG 3.26Å; A60-K64 WeakPolarHBondContact O-CG 3.46Å; A60-K64 PolarHBondContact O-N 2.74Å; A60-K64 VanDerWaalsContact O-N 3.15Å; S61-K64 PolarHBondContact O-N 3.37Å; K64-A66 VanDerWaalsContact C-N 3.34Å; K64-A66 PolarHBondContact O-N 3.07Å; K64-L67 PolarHBondContact O-N 3.27Å; K64-A68 WeakPolarHBondContact O-CB 3.49Å; K64-A68 PolarHBondContact O-N 2.88Å; K64-Y102 HydrophobicContact CD-CE2 4.2Å; K64-Y102 VanDerWaalsContact CE-CE2 3.41Å; K64-Y102 WeakPolarHBondContact CE-OH 3.45Å; K64-Y102 HydrophobicContact CG-CD1 4.36Å; K64-Y102 HydrophobicContact CG-CD2 3.77Å; K64-Y102 HydrophobicContact CG-CE1 4.39Å; K64-Y102 HydrophobicContact CG-CE2 3.86Å; K64-Y102 HydrophobicContact CG-CG 4.06Å; K64-Y102 PolarHBondContact NZ-OH 3.05Å; K64-W380 HydrophobicContact CB-CB 4.46Å; K64-W380 HydrophobicContact CB-CD2 4.2Å; K64-W380 HydrophobicContact CB-CE3 3.78Å; K64-W380 HydrophobicContact CB-CZ3 4.43Å; K64-W380 HydrophobicContact CD-CE3 3.67Å; K64-W380 HydrophobicContact CD-CZ3 3.61Å; K64-W380 HydrophobicContact CG-CE3 4.31Å; K64-V413 HydrophobicContact CB-CG2 4.01Å; K64-V413 HydrophobicContact CD-CG2 4.31Å; K64-V413 HydrophobicContact CG-CG1 4.38Å; K64-V413 HydrophobicContact CG-CG2 3.88Å |
| 65 | A | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -60 | -43.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | S61 G62 L67 A68 G69 A312 E313 W380 | S61-A65 WeakPolarHBondContact O-CB 3.42Å; S61-A65 PolarHBondContact O-N 3.16Å; G62-A65 PolarHBondContact O-N 2.95Å; A65-L67 PolarHBondContact O-N 3.28Å; A65-A68 PolarHBondContact O-N 3.39Å; A65-G69 PolarHBondContact O-N 2.89Å; A65-G69 VanDerWaalsContact O-N 3.08Å; A65-A312 HydrophobicContact CB-CB 4.39Å; A65-E313 HydrophobicContact CB-CB 4.17Å; A65-E313 WeakPolarHBondContact O-CA 3.47Å; A65-E313 WeakPolarHBondContact O-CB 3.29Å; A65-W380 HydrophobicContact CB-CB 3.94Å |
| 66 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 7.7 Ų | 7.7 | 0% | 0 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -57 | -48.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G62 T63 K64 G69 G70 T71 I74 | G62-A66 PolarHBondContact O-N 2.81Å; T63-A66 WeakPolarHBondContact O-CB 3.32Å; T63-A66 PolarHBondContact O-N 3.3Å; K64-A66 VanDerWaalsContact C-N 3.34Å; K64-A66 PolarHBondContact O-N 3.07Å; A66-G69 CarbonylContact O-C 3.6Å; A66-G69 WeakPolarHBondContact O-CA 3.48Å; A66-G69 PolarHBondContact O-N 3.23Å; A66-G69 VanDerWaalsContact O-N 3.09Å; A66-G70 PolarHBondContact O-N 3.47Å; A66-T71 CarbonylContact C-O 3.56Å; A66-T71 VanDerWaalsContact C-O 3.29Å; A66-T71 HydrophobicContact CB-CG2 3.98Å; A66-T71 WeakPolarHBondContact O-CA 3.49Å; A66-T71 WeakPolarHBondContact O-CB 3.49Å; A66-T71 PolarHBondContact O-N 2.81Å; A66-I74 HydrophobicContact CB-CG2 4.09Å |
| 67 | L | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -62.4 | -43.8 | 179 | -72.9 | 178.1 | 0 | 0 | 0 | 113.1 | T63 K64 A65 G69 G70 T71 C103 T400 V402 A407 F408 V413 | T63-L67 WeakPolarHBondContact O-CG 3.46Å; T63-L67 PolarHBondContact O-N 3.37Å; K64-L67 PolarHBondContact O-N 3.27Å; A65-L67 PolarHBondContact O-N 3.28Å; L67-G69 PolarHBondContact O-N 3.22Å; L67-G70 PolarHBondContact O-N 3.12Å; L67-T71 PolarHBondContact N-O 3.05Å; L67-C103 HydrophobicContact CD2-CB 3.8Å; L67-C103 HydrophobicContact CG-CB 4.17Å; L67-T400 HydrophobicContact CD2-CG2 3.73Å; L67-T400 PolarHBondContact O-OG1 2.99Å; L67-V402 HydrophobicContact CD2-CG2 3.5Å; L67-V402 VanDerWaalsContact CD2-CG2 3.5Å; L67-A407 HydrophobicContact CD1-CB 3.95Å; L67-A407 HydrophobicContact CD2-CB 4.02Å; L67-F408 HydrophobicContact CB-CB 4.2Å; L67-V413 HydrophobicContact CD1-CG1 4.38Å |
| 68 | A | 97.9 | Very high | 98.3 | Very high | 2 Ų | 2 | 6.6 Ų | 6.6 | 2% | 0.017 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -63.2 | -22.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | K64 A65 E313 W380 P397 F408 | K64-A68 WeakPolarHBondContact O-CB 3.49Å; K64-A68 PolarHBondContact O-N 2.88Å; A65-A68 PolarHBondContact O-N 3.39Å; A68-E313 HydrophobicContact CB-CG 4.12Å; A68-W380 HydrophobicContact CB-CG 4.1Å; A68-P397 WeakPolarHBondContact O-CG 2.88Å; A68-F408 HydrophobicContact CB-CD2 4.06Å; A68-F408 HydrophobicContact CB-CE1 4.37Å; A68-F408 HydrophobicContact CB-CE2 3.54Å; A68-F408 HydrophobicContact CB-CZ 3.69Å |
| 69 | G | 98 | Very high | 98.1 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 1.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A65 A66 L67 E313 M316 | A65-G69 PolarHBondContact O-N 2.89Å; A65-G69 VanDerWaalsContact O-N 3.08Å; A66-G69 CarbonylContact O-C 3.6Å; A66-G69 WeakPolarHBondContact O-CA 3.48Å; A66-G69 PolarHBondContact O-N 3.23Å; A66-G69 VanDerWaalsContact O-N 3.09Å; L67-G69 PolarHBondContact O-N 3.22Å; G69-E313 WeakPolarHBondContact CA-O 3.27Å; G69-M316 VanDerWaalsContact O-SD 3.4Å |
| 70 | G | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 6.2 Ų | 6.2 | 0% | 0 | 4% | 0.035 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 10.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G39 A66 L67 M316 | G39-G70 PolarHBondContact N-O 2.78Å; A66-G70 PolarHBondContact O-N 3.47Å; L67-G70 PolarHBondContact O-N 3.12Å; G70-M316 VanDerWaalsContact C-SD 3.54Å; G70-M316 VanDerWaalsContact O-SD 3.41Å |
| 71 | T | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 7.6 Ų | 7.6 | 0% | 0 | 4% | 0.042 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 120.2 | 176.7 | -63.9 | 0 | 0 | 0 | 0 | 110.2 | G39 D41 A66 L67 M73 I74 R315 | G39-T71 CarbonylContact O-C 3.51Å; G39-T71 WeakPolarHBondContact O-CA 3.26Å; G39-T71 VanDerWaalsContact O-CG2 3.31Å; G39-T71 WeakPolarHBondContact O-CG2 3.46Å; D41-T71 HydrophobicContact CB-CG2 3.89Å; A66-T71 CarbonylContact C-O 3.56Å; A66-T71 VanDerWaalsContact C-O 3.29Å; A66-T71 HydrophobicContact CB-CG2 3.98Å; A66-T71 WeakPolarHBondContact O-CA 3.49Å; A66-T71 WeakPolarHBondContact O-CB 3.49Å; A66-T71 PolarHBondContact O-N 2.81Å; L67-T71 PolarHBondContact N-O 3.05Å; T71-M73 VanDerWaalsContact CG2-O 3.27Å; T71-M73 WeakPolarHBondContact CG2-O 3.38Å; T71-I74 HydrophobicContact CG2-CG2 4.31Å; T71-R315 PolarHBondContact OG1-NH2 3.36Å |
| 72 | T | 98.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 11 Ų | 11 | 1% | 0.012 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | -8.2 | -175.3 | 55.7 | 0 | 0 | 0 | 0 | 113.5 | G38 G39 C103 D104 D362 T400 I401 V402 | G38-T72 WeakPolarHBondContact CA-OG1 3.46Å; G39-T72 PolarHBondContact O-N 3.16Å; G39-T72 PolarHBondContact O-OG1 2.86Å; T72-C103 VanDerWaalsContact O-CB 3.29Å; T72-C103 WeakPolarHBondContact O-CB 3.05Å; T72-D104 PolarHBondContact O-N 3.26Å; T72-D362 HydrophobicContact CG2-CB 4.3Å; T72-T400 HydrophobicContact CG2-CG2 3.53Å; T72-I401 WeakPolarHBondContact CG2-O 3.43Å; T72-V402 HydrophobicContact CG2-CG2 3.99Å |
| 73 | M | 98.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 143.7 | 173.4 | -176.8 | -176.4 | -176.5 | 0 | 0 | 112.1 | G39 I40 D41 T71 I75 D104 A106 L348 K352 I423 | G39-M73 PolarHBondContact O-N 2.88Å; I40-M73 WeakPolarHBondContact CA-O 3.27Å; I40-M73 HydrophobicContact CG1-CB 4.23Å; I40-M73 HydrophobicContact CG2-CB 4.37Å; I40-M73 HydrophobicContact CG2-CG 4.41Å; I40-M73 HydrophobicContact CG2-SD 4.3Å; D41-M73 PolarHBondContact N-O 3.38Å; T71-M73 VanDerWaalsContact CG2-O 3.27Å; T71-M73 WeakPolarHBondContact CG2-O 3.38Å; M73-I75 HydrophobicContact CE-CG1 4.46Å; M73-D104 VanDerWaalsContact CA-O 3.23Å; M73-D104 WeakPolarHBondContact CA-O 2.79Å; M73-D104 HydrophobicContact CG-CB 4.43Å; M73-D104 WeakPolarHBondContact CG-O 3.36Å; M73-A106 HydrophobicContact CE-CB 3.63Å; M73-L348 HydrophobicContact CE-CD1 3.5Å; M73-L348 VanDerWaalsContact CE-CD1 3.5Å; M73-L348 HydrophobicContact CE-CD2 4.26Å; M73-L348 HydrophobicContact SD-CD1 3.64Å; M73-K352 HydrophobicContact CB-CD 4.46Å; M73-K352 HydrophobicContact CG-CD 4.41Å; M73-K352 HydrophobicContact SD-CD 3.27Å; M73-K352 WeakPolarHBondContact SD-CD 3.42Å; M73-I423 HydrophobicContact CE-CB 4.12Å; M73-I423 HydrophobicContact CE-CG1 4.16Å |
| 74 | I | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 148.4 | 172.4 | 61.5 | 99.7 | 0 | 0 | 0 | 111.6 | D41 T44 F46 F59 T63 A66 T71 N76 D104 Y105 A106 | D41-I74 HydrophobicContact CB-CG2 4.28Å; D41-I74 CarbonylContact O-C 3.58Å; D41-I74 WeakPolarHBondContact O-CA 3.34Å; T44-I74 HydrophobicContact CG2-CB 4.15Å; T44-I74 HydrophobicContact CG2-CG2 4.13Å; F46-I74 HydrophobicContact CD2-CD1 4.16Å; F46-I74 HydrophobicContact CE2-CB 4.29Å; F46-I74 HydrophobicContact CE2-CD1 3.91Å; F46-I74 HydrophobicContact CE2-CG1 4.03Å; F46-I74 HydrophobicContact CE2-CG2 4.14Å; F46-I74 HydrophobicContact CZ-CG2 4.38Å; F59-I74 HydrophobicContact CD1-CD1 4.49Å; F59-I74 HydrophobicContact CE1-CD1 4.17Å; T63-I74 HydrophobicContact CG2-CG1 4.14Å; A66-I74 HydrophobicContact CB-CG2 4.09Å; T71-I74 HydrophobicContact CG2-CG2 4.31Å; I74-N76 HydrophobicContact CD1-CB 3.72Å; I74-D104 PolarHBondContact N-O 3.25Å; I74-D104 VanDerWaalsContact N-O 3.17Å; I74-Y105 CarbonylContact O-C 3.57Å; I74-Y105 WeakPolarHBondContact O-CA 3.37Å; I74-A106 PolarHBondContact O-N 2.94Å |
| 75 | I | 98.7 | Very high | 95.6 | Very high | 3 Ų | 3 | 19.3 Ų | 19.3 | 2% | 0.015 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 101.3 | 167.3 | -51.7 | -175.7 | 0 | 0 | 0 | 107.2 | D41 T44 M73 A106 F346 | D41-I75 PolarHBondContact O-N 3.48Å; T44-I75 PolarHBondContact N-O 2.95Å; M73-I75 HydrophobicContact CE-CG1 4.46Å; I75-A106 WeakPolarHBondContact CA-O 3.26Å; I75-A106 HydrophobicContact CG1-CB 4.32Å; I75-A106 HydrophobicContact CG2-CB 4.48Å; I75-F346 HydrophobicContact CD1-CB 3.86Å; I75-F346 HydrophobicContact CD1-CD1 3.49Å; I75-F346 VanDerWaalsContact CD1-CD1 3.49Å; I75-F346 HydrophobicContact CD1-CD2 3.54Å; I75-F346 HydrophobicContact CD1-CE1 3.68Å; I75-F346 HydrophobicContact CD1-CE2 3.77Å; I75-F346 HydrophobicContact CD1-CG 3.35Å; I75-F346 HydrophobicContact CD1-CZ 3.76Å; I75-F346 HydrophobicContact CG2-CE1 4.03Å; I75-F346 HydrophobicContact CG2-CZ 4.43Å |
| 76 | N | 98.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 140 | -175.7 | -163.4 | 81.7 | 0 | 0 | 0 | 111.2 | T44 H45 F46 F59 I74 V78 W93 A106 L107 S108 | T44-N76 VanDerWaalsContact C-OD1 3.25Å; T44-N76 PolarHBondContact O-OD1 3.01Å; T44-N76 WeakPolarHBondContact OG1-CA 3.4Å; T44-N76 WeakPolarHBondContact OG1-CB 3.37Å; T44-N76 PolarHBondContact OG1-OD1 2.97Å; H45-N76 PolarHBondContact N-OD1 3.38Å; F46-N76 PolarHBondContact N-OD1 3.1Å; F59-N76 HydrophobicContact CE1-CB 3.84Å; F59-N76 HydrophobicContact CZ-CB 4.14Å; I74-N76 HydrophobicContact CD1-CB 3.72Å; N76-V78 PolarHBondContact O-N 3.35Å; N76-W93 WeakPolarHBondContact ND2-CZ3 3.03Å; N76-A106 PolarHBondContact N-O 3.45Å; N76-L107 HydrophobicContact CB-CD2 4Å; N76-L107 WeakPolarHBondContact O-CA 3.42Å; N76-S108 PolarHBondContact O-N 3.27Å |
| 77 | C | 97.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 20.6 Ų | 20.6 | 3% | 0.034 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 117 | 172.3 | -166.8 | 0 | 0 | 0 | 0 | 110 | T44 H45 D79 S108 | T44-C77 PolarHBondContact O-N 3.44Å; H45-C77 VanDerWaalsContact CE1-CB 3.41Å; H45-C77 WeakPolarHBondContact CE1-CB 3.47Å; C77-D79 PolarHBondContact O-N 2.92Å; C77-S108 CarbonylContact C-O 3.58Å; C77-S108 WeakPolarHBondContact CA-O 3.21Å |
| 78 | V | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 116.3 | 169.7 | 175.5 | 0 | 0 | 0 | 0 | 108.2 | N76 S80 W93 L107 S108 V109 L110 | N76-V78 PolarHBondContact O-N 3.35Å; V78-S80 PolarHBondContact O-N 3.27Å; V78-W93 HydrophobicContact CB-CG 4.3Å; V78-W93 HydrophobicContact CG1-CB 4.12Å; V78-W93 HydrophobicContact CG1-CG 3.8Å; V78-W93 HydrophobicContact CG2-CB 3.99Å; V78-W93 HydrophobicContact CG2-CG 4.26Å; V78-L107 HydrophobicContact CG2-CB 3.95Å; V78-L107 HydrophobicContact CG2-CD1 3.98Å; V78-L107 HydrophobicContact CG2-CD2 3.99Å; V78-L107 HydrophobicContact CG2-CG 4.18Å; V78-S108 PolarHBondContact N-O 2.98Å; V78-V109 HydrophobicContact CB-CB 4.5Å; V78-V109 HydrophobicContact CB-CG1 4.48Å; V78-V109 HydrophobicContact CB-CG2 4.15Å; V78-V109 HydrophobicContact CG2-CG2 4.08Å; V78-L110 VanDerWaalsContact O-CB 3.28Å; V78-L110 WeakPolarHBondContact O-CB 3.33Å; V78-L110 PolarHBondContact O-N 3.25Å; V78-L110 VanDerWaalsContact O-N 3.15Å |
| 79 | D | 92.3 | Very high | 95.5 | Very high | 35 Ų | 35 | 22.6 Ų | 22.6 | 19% | 0.187 | 14% | 0.139 | C | C | . | . | trans | -78.6 | 115.1 | 173.3 | -163.9 | 7 | 0 | 0 | 0 | 109.4 | C48 Q49 C77 W93 | C48-D79 HydrophobicContact CB-CB 4.35Å; Q49-D79 PolarHBondContact N-OD2 3.37Å; C77-D79 PolarHBondContact O-N 2.92Å; D79-W93 HydrophobicContact CB-CH2 4.36Å; D79-W93 HydrophobicContact CB-CZ2 3.45Å; D79-W93 VanDerWaalsContact CB-CZ2 3.45Å; D79-W93 PolarHBondContact O-NE1 3.44Å | ||
| 80 | S | 90.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | trans | -122.4 | 134 | -177.1 | -50.7 | 0 | 0 | 0 | 0 | 109.2 | V78 S89 L110 | V78-S80 PolarHBondContact O-N 3.27Å; S80-S89 VanDerWaalsContact OG-CB 3.28Å; S80-S89 WeakPolarHBondContact OG-CB 3.3Å; S80-L110 WeakPolarHBondContact CB-O 3.5Å; S80-L110 PolarHBondContact OG-O 2.74Å | ||
| 81 | T | 87 | Confident | 95.5 | Very high | 50 Ų | 50 | 28.1 Ų | 28.1 | 31% | 0.307 | 17% | 0.165 | S | C | . | . | trans | -95.9 | 162.5 | 179.9 | 69 | 0 | 0 | 0 | 0 | 111.2 | S83 E84 P112 | T81-S83 PolarHBondContact O-N 2.84Å; T81-S83 VanDerWaalsContact O-N 3.13Å; T81-S83 PolarHBondContact OG1-OG 2.86Å; T81-E84 PolarHBondContact O-N 3.44Å; T81-P112 WeakPolarHBondContact O-CG 3.35Å | ||
| 82 | V | 86.7 | Confident | 95.5 | Very high | 82 Ų | 82 | 31.9 Ų | 31.9 | 50% | 0.497 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -18.1 | 178.2 | -64.8 | 0 | 0 | 0 | 0 | 113.9 | P112 K113 | V82-P112 HydrophobicContact CG1-CB 4.07Å; V82-K113 WeakPolarHBondContact O-CE 3.38Å; V82-K113 PolarHBondContact O-NZ 3.37Å |
| 83 | S | 87.3 | Confident | 95.4 | Very high | 105 Ų | 105 | 32.2 Ų | 32.2 | 73% | 0.734 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -19.2 | -178.6 | 56.8 | 0 | 0 | 0 | 0 | 114 | T81 | T81-S83 PolarHBondContact O-N 2.84Å; T81-S83 VanDerWaalsContact O-N 3.13Å; T81-S83 PolarHBondContact OG1-OG 2.86Å |
| 84 | E | 91.8 | Very high | 95.4 | Very high | 67 Ų | 67 | 34.6 Ų | 34.6 | 31% | 0.313 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -96.1 | 156.7 | -179.6 | -68 | -177.9 | 175.1 | 0 | 0 | 111 | T81 S89 K92 | T81-E84 PolarHBondContact O-N 3.44Å; E84-S89 PolarHBondContact OE2-OG 2.92Å; E84-K92 IonicContact OE1-NZ 2.71Å; E84-K92 PolarHBondContact OE1-NZ 3.27Å; E84-K92 VanDerWaalsContact OE1-NZ 3.09Å; E84-K92 IonicContact OE2-NZ 3.74Å; E84-K92 PolarHBondContact OE2-NZ 3.44Å |
| 85 | S | 96.1 | Very high | 95.3 | Very high | 54 Ų | 54 | 41.4 Ų | 41.4 | 38% | 0.378 | 22% | 0.222 | S | C | . | . | trans | -79.8 | 150.2 | 166 | 72.5 | 0 | 0 | 0 | 0 | 109.7 | M87 S88 S89 D121 | S85-M87 PolarHBondContact O-N 3.48Å; S85-S88 PolarHBondContact N-OG 3.06Å; S85-S88 PolarHBondContact O-N 3.46Å; S85-S88 VanDerWaalsContact O-N 3.16Å; S85-S88 PolarHBondContact O-OG 2.87Å; S85-S88 VanDerWaalsContact OG-CB 3.31Å; S85-S88 WeakPolarHBondContact OG-CB 3.34Å; S85-S88 PolarHBondContact OG-N 3.37Å; S85-S88 VanDerWaalsContact OG-N 3.12Å; S85-S88 PolarHBondContact OG-OG 2.79Å; S85-S88 VanDerWaalsContact OG-OG 3.12Å; S85-S89 PolarHBondContact O-N 2.85Å; S85-S89 VanDerWaalsContact O-N 3.11Å; S85-S89 PolarHBondContact O-OG 2.91Å; S85-D121 WeakPolarHBondContact CB-OD2 3.41Å | ||
| 86 | L | 98 | Very high | 95.3 | Very high | 3 Ų | 3 | 44.1 Ų | 44.1 | 2% | 0.016 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.1 | -35.1 | -179.4 | -57.7 | -179.9 | 0 | 0 | 0 | 110.9 | S89 F90 V109 L110 V111 D121 M122 L125 | L86-S89 PolarHBondContact O-N 2.7Å; L86-F90 WeakPolarHBondContact O-CB 3.29Å; L86-F90 PolarHBondContact O-N 2.93Å; L86-V109 HydrophobicContact CB-CG1 4.26Å; L86-V109 HydrophobicContact CD2-CG1 4.18Å; L86-L110 WeakPolarHBondContact CD2-O 3.25Å; L86-V111 HydrophobicContact CD1-CG1 4.37Å; L86-V111 HydrophobicContact CD1-CG2 4.03Å; L86-D121 HydrophobicContact CB-CB 3.78Å; L86-D121 HydrophobicContact CD1-CB 4.2Å; L86-D121 HydrophobicContact CG-CB 4.26Å; L86-D121 PolarHBondContact N-OD2 3.31Å; L86-M122 HydrophobicContact CD1-CG 3.84Å; L86-L125 HydrophobicContact CB-CD1 4.13Å |
| 87 | M | 97.9 | Very high | 95.3 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 12% | 0.118 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -60 | -48.6 | 174.2 | -78.1 | -53 | -55.6 | 0 | 0 | 112.2 | S85 S89 F90 E91 D121 E124 L125 H129 | S85-M87 PolarHBondContact O-N 3.48Å; M87-S89 VanDerWaalsContact C-N 3.34Å; M87-S89 PolarHBondContact O-N 2.89Å; M87-F90 PolarHBondContact O-N 3.43Å; M87-E91 WeakPolarHBondContact O-CG 3.19Å; M87-E91 PolarHBondContact O-N 2.68Å; M87-D121 HydrophobicContact CG-CB 4Å; M87-E124 HydrophobicContact CE-CG 4.29Å; M87-E124 HydrophobicContact SD-CB 4.13Å; M87-E124 HydrophobicContact SD-CG 3.9Å; M87-L125 HydrophobicContact CE-CD2 4.26Å; M87-L125 HydrophobicContact SD-CD1 4.44Å; M87-L125 HydrophobicContact SD-CD2 3.43Å; M87-L125 WeakPolarHBondContact SD-CD2 3.49Å; M87-L125 HydrophobicContact SD-CG 3.5Å; M87-L125 VanDerWaalsContact SD-CG 3.5Å; M87-H129 WeakPolarHBondContact CE-NE2 3.46Å |
| 88 | S | 97.7 | Very high | 95.3 | Very high | 45 Ų | 45 | 46.8 Ų | 46.8 | 32% | 0.315 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -64.2 | -39.4 | -179.7 | 68.9 | 0 | 0 | 0 | 0 | 112.3 | S85 K92 | S85-S88 PolarHBondContact N-OG 3.06Å; S85-S88 PolarHBondContact O-N 3.46Å; S85-S88 VanDerWaalsContact O-N 3.16Å; S85-S88 PolarHBondContact O-OG 2.87Å; S85-S88 VanDerWaalsContact OG-CB 3.31Å; S85-S88 WeakPolarHBondContact OG-CB 3.34Å; S85-S88 PolarHBondContact OG-N 3.37Å; S85-S88 VanDerWaalsContact OG-N 3.12Å; S85-S88 PolarHBondContact OG-OG 2.79Å; S85-S88 VanDerWaalsContact OG-OG 3.12Å; S88-K92 WeakPolarHBondContact O-CB 3.31Å; S88-K92 PolarHBondContact O-N 2.79Å; S88-K92 VanDerWaalsContact O-N 3.09Å |
| 89 | S | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 175.2 | -54.1 | 0 | 0 | 0 | 0 | 110.3 | S80 E84 S85 L86 M87 E91 K92 W93 | S80-S89 VanDerWaalsContact OG-CB 3.28Å; S80-S89 WeakPolarHBondContact OG-CB 3.3Å; E84-S89 PolarHBondContact OE2-OG 2.92Å; S85-S89 PolarHBondContact O-N 2.85Å; S85-S89 VanDerWaalsContact O-N 3.11Å; S85-S89 PolarHBondContact O-OG 2.91Å; L86-S89 PolarHBondContact O-N 2.7Å; M87-S89 VanDerWaalsContact C-N 3.34Å; M87-S89 PolarHBondContact O-N 2.89Å; S89-E91 PolarHBondContact O-N 2.67Å; S89-K92 PolarHBondContact O-N 2.97Å; S89-W93 WeakPolarHBondContact O-CB 3.2Å; S89-W93 PolarHBondContact O-N 3.49Å |
| 90 | F | 98.3 | Very high | 95.6 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.009 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -56.2 | -50 | 175.9 | 172 | -93.6 | 0 | 0 | 0 | 112.6 | L86 M87 K92 W93 K94 L107 V109 L125 H129 V131 | L86-F90 WeakPolarHBondContact O-CB 3.29Å; L86-F90 PolarHBondContact O-N 2.93Å; M87-F90 PolarHBondContact O-N 3.43Å; F90-K92 PolarHBondContact O-N 2.88Å; F90-W93 PolarHBondContact O-N 2.95Å; F90-K94 HydrophobicContact CE1-CB 4.48Å; F90-K94 HydrophobicContact CE1-CD 4.1Å; F90-K94 HydrophobicContact CZ-CD 4.09Å; F90-K94 WeakPolarHBondContact O-CB 3.36Å; F90-K94 PolarHBondContact O-N 2.9Å; F90-L107 HydrophobicContact CD2-CB 4.44Å; F90-L107 HydrophobicContact CD2-CD1 3.89Å; F90-L107 HydrophobicContact CE2-CB 4.16Å; F90-L107 HydrophobicContact CE2-CD1 3.65Å; F90-L107 HydrophobicContact CE2-CG 4.5Å; F90-L107 HydrophobicContact CZ-CD1 4.45Å; F90-V109 HydrophobicContact CD2-CG2 4.25Å; F90-L125 HydrophobicContact CB-CD2 3.68Å; F90-L125 HydrophobicContact CD1-CD2 3.72Å; F90-L125 HydrophobicContact CD2-CD2 3.77Å; F90-L125 HydrophobicContact CE1-CD2 4.31Å; F90-L125 HydrophobicContact CE2-CD2 4.33Å; F90-L125 HydrophobicContact CG-CD2 3.43Å; F90-L125 VanDerWaalsContact CG-CD2 3.43Å; F90-H129 HydrophobicContact CE1-CB 3.74Å; F90-H129 AromaticContact CE1-CG 3.86Å; F90-H129 AromaticContact CE1-ND1 3.61Å; F90-H129 HydrophobicContact CZ-CB 3.76Å; F90-V131 HydrophobicContact CD2-CG2 3.88Å; F90-V131 HydrophobicContact CE2-CG2 3.45Å; F90-V131 VanDerWaalsContact CE2-CG2 3.45Å; F90-V131 HydrophobicContact CZ-CG2 4.24Å |
| 91 | E | 98.2 | Very high | 96 | Very high | 113 Ų | 113 | 53.5 Ų | 53.5 | 53% | 0.528 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.6 | -43.9 | -179.7 | -72.3 | 174.7 | 178.8 | 0 | 0 | 112.2 | M87 S89 W93 K94 K95 | M87-E91 WeakPolarHBondContact O-CG 3.19Å; M87-E91 PolarHBondContact O-N 2.68Å; S89-E91 PolarHBondContact O-N 2.67Å; E91-W93 VanDerWaalsContact C-N 3.33Å; E91-W93 PolarHBondContact O-N 2.95Å; E91-K94 PolarHBondContact O-N 3.37Å; E91-K95 VanDerWaalsContact O-CB 3.24Å; E91-K95 WeakPolarHBondContact O-CB 3.46Å; E91-K95 PolarHBondContact O-N 3.04Å |
| 92 | K | 97.5 | Very high | 96.5 | Very high | 79 Ų | 79 | 52.3 Ų | 52.3 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -56 | -49.3 | 175.3 | 177 | 179.3 | 71.2 | -167.8 | 0 | 111 | E84 S88 S89 F90 Q96 | E84-K92 IonicContact OE1-NZ 2.71Å; E84-K92 PolarHBondContact OE1-NZ 3.27Å; E84-K92 VanDerWaalsContact OE1-NZ 3.09Å; E84-K92 IonicContact OE2-NZ 3.74Å; E84-K92 PolarHBondContact OE2-NZ 3.44Å; S88-K92 WeakPolarHBondContact O-CB 3.31Å; S88-K92 PolarHBondContact O-N 2.79Å; S88-K92 VanDerWaalsContact O-N 3.09Å; S89-K92 PolarHBondContact O-N 2.97Å; F90-K92 PolarHBondContact O-N 2.88Å; K92-Q96 WeakPolarHBondContact O-CG 3.09Å; K92-Q96 PolarHBondContact O-N 3.43Å |
| 93 | W | 97.9 | Very high | 97.1 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 3% | 0.034 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.5 | -44.2 | -177.3 | -85.6 | 87.7 | 0 | 0 | 0 | 112.3 | F46 C48 F59 N76 V78 D79 S89 F90 E91 K95 Q96 A97 | F46-W93 WeakPolarHBondContact O-CH2 3.47Å; F46-W93 WeakPolarHBondContact O-CZ3 3.45Å; C48-W93 HydrophobicContact CB-CH2 4.19Å; F59-W93 AromaticContact CE2-CE3 3.53Å; F59-W93 HydrophobicContact CE2-CE3 3.53Å; F59-W93 AromaticContact CE2-CZ3 3.76Å; F59-W93 HydrophobicContact CE2-CZ3 3.76Å; F59-W93 AromaticContact CZ-CE3 3.6Å; F59-W93 HydrophobicContact CZ-CE3 3.6Å; F59-W93 AromaticContact CZ-CZ3 3.81Å; F59-W93 HydrophobicContact CZ-CZ3 3.81Å; N76-W93 WeakPolarHBondContact ND2-CZ3 3.03Å; V78-W93 HydrophobicContact CB-CG 4.3Å; V78-W93 HydrophobicContact CG1-CB 4.12Å; V78-W93 HydrophobicContact CG1-CG 3.8Å; V78-W93 HydrophobicContact CG2-CB 3.99Å; V78-W93 HydrophobicContact CG2-CG 4.26Å; D79-W93 HydrophobicContact CB-CH2 4.36Å; D79-W93 HydrophobicContact CB-CZ2 3.45Å; D79-W93 VanDerWaalsContact CB-CZ2 3.45Å; D79-W93 PolarHBondContact O-NE1 3.44Å; S89-W93 WeakPolarHBondContact O-CB 3.2Å; S89-W93 PolarHBondContact O-N 3.49Å; F90-W93 PolarHBondContact O-N 2.95Å; E91-W93 VanDerWaalsContact C-N 3.33Å; E91-W93 PolarHBondContact O-N 2.95Å; W93-K95 PolarHBondContact O-N 3.03Å; W93-Q96 PolarHBondContact O-N 3.06Å; W93-A97 WeakPolarHBondContact O-CB 3.49Å; W93-A97 PolarHBondContact O-N 3.44Å |
| 94 | K | 98.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 44 Ų | 44 | 22% | 0.222 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.8 | -45.3 | 175.9 | -167 | -165 | -178.2 | -48.7 | 0 | 111.5 | F90 E91 Q96 A97 D98 Y105 L107 | F90-K94 HydrophobicContact CE1-CB 4.48Å; F90-K94 HydrophobicContact CE1-CD 4.1Å; F90-K94 HydrophobicContact CZ-CD 4.09Å; F90-K94 WeakPolarHBondContact O-CB 3.36Å; F90-K94 PolarHBondContact O-N 2.9Å; E91-K94 PolarHBondContact O-N 3.37Å; K94-Q96 VanDerWaalsContact C-N 3.3Å; K94-Q96 PolarHBondContact O-N 3.27Å; K94-A97 PolarHBondContact O-N 3.02Å; K94-D98 IonicContact NZ-OD1 3.66Å; K94-D98 PolarHBondContact NZ-OD1 3.26Å; K94-D98 IonicContact NZ-OD2 2.64Å; K94-D98 PolarHBondContact NZ-OD2 2.96Å; K94-D98 WeakPolarHBondContact O-CB 3.21Å; K94-D98 VanDerWaalsContact O-CG 3.26Å; K94-D98 PolarHBondContact O-N 3.04Å; K94-Y105 VanDerWaalsContact CG-OH 3.32Å; K94-Y105 WeakPolarHBondContact CG-OH 3.38Å; K94-Y105 PolarHBondContact O-OH 3.49Å; K94-L107 HydrophobicContact CB-CD1 4.03Å; K94-L107 HydrophobicContact CG-CD1 4.46Å |
| 95 | K | 97.8 | Very high | 98 | Very high | 143 Ų | 143 | 40.9 Ų | 40.9 | 62% | 0.622 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -59.1 | -40.5 | 177.9 | -177.9 | 178.7 | 179.4 | 178.9 | 0 | 112.3 | E91 W93 Q99 | E91-K95 VanDerWaalsContact O-CB 3.24Å; E91-K95 WeakPolarHBondContact O-CB 3.46Å; E91-K95 PolarHBondContact O-N 3.04Å; W93-K95 PolarHBondContact O-N 3.03Å; K95-Q99 WeakPolarHBondContact O-CG 3.36Å |
| 96 | Q | 97.3 | Very high | 98.1 | Very high | 59 Ų | 59 | 38.4 Ų | 38.4 | 28% | 0.276 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -67.8 | -45.8 | 176.2 | -71.6 | 176.4 | 7.9 | 0 | 0 | 111.5 | F59 K92 W93 K94 Q99 Q100 | F59-Q96 HydrophobicContact CD2-CB 4.39Å; K92-Q96 WeakPolarHBondContact O-CG 3.09Å; K92-Q96 PolarHBondContact O-N 3.43Å; W93-Q96 PolarHBondContact O-N 3.06Å; K94-Q96 VanDerWaalsContact C-N 3.3Å; K94-Q96 PolarHBondContact O-N 3.27Å; Q96-Q99 PolarHBondContact O-N 2.64Å; Q96-Q100 WeakPolarHBondContact O-CG 3.49Å |
| 97 | A | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63 | -49 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F59 W93 K94 Q99 Q100 V101 Y105 | F59-A97 HydrophobicContact CD1-CB 3.81Å; F59-A97 HydrophobicContact CD2-CB 3.81Å; F59-A97 HydrophobicContact CE1-CB 3.72Å; F59-A97 HydrophobicContact CE2-CB 3.71Å; F59-A97 HydrophobicContact CG-CB 3.86Å; F59-A97 HydrophobicContact CZ-CB 3.67Å; W93-A97 WeakPolarHBondContact O-CB 3.49Å; W93-A97 PolarHBondContact O-N 3.44Å; K94-A97 PolarHBondContact O-N 3.02Å; A97-Q99 PolarHBondContact O-N 3.1Å; A97-Q100 PolarHBondContact O-N 2.69Å; A97-V101 HydrophobicContact CB-CG1 4.12Å; A97-V101 WeakPolarHBondContact O-CG1 3.33Å; A97-V101 WeakPolarHBondContact O-CG2 3.46Å; A97-V101 PolarHBondContact O-N 3.04Å; A97-Y105 HydrophobicContact CB-CD2 4.01Å; A97-Y105 HydrophobicContact CB-CE1 4Å; A97-Y105 HydrophobicContact CB-CE2 3.36Å |
| 98 | D | 98.2 | Very high | 98.1 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 33% | 0.332 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -52.4 | -29.1 | -179.3 | -75.1 | -19.3 | 0 | 0 | 0 | 113.2 | K94 Y105 | K94-D98 IonicContact NZ-OD1 3.66Å; K94-D98 PolarHBondContact NZ-OD1 3.26Å; K94-D98 IonicContact NZ-OD2 2.64Å; K94-D98 PolarHBondContact NZ-OD2 2.96Å; K94-D98 WeakPolarHBondContact O-CB 3.21Å; K94-D98 VanDerWaalsContact O-CG 3.26Å; K94-D98 PolarHBondContact O-N 3.04Å; D98-Y105 PolarHBondContact OD1-OH 3.1Å |
| 99 | Q | 97.4 | Very high | 98.2 | Very high | 126 Ų | 126 | 35.4 Ų | 35.4 | 59% | 0.589 | 16% | 0.163 | S | C | * | . | H | α-helix | trans | -89.2 | -16.5 | -178.8 | -64.4 | 177.9 | -3.3 | 0 | 0 | 113.8 | K95 Q96 A97 | K95-Q99 WeakPolarHBondContact O-CG 3.36Å; Q96-Q99 PolarHBondContact O-N 2.64Å; A97-Q99 PolarHBondContact O-N 3.1Å |
| 100 | Q | 98 | Very high | 98.1 | Very high | 49 Ų | 49 | 36.2 Ų | 36.2 | 23% | 0.229 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -121.9 | -28.2 | -163.4 | -70.7 | -176 | 31.8 | 0 | 0 | 114.2 | F59 A60 Q96 A97 Y102 | F59-Q100 HydrophobicContact CB-CB 3.67Å; A60-Q100 WeakPolarHBondContact CA-O 3.43Å; A60-Q100 HydrophobicContact CB-CB 4.08Å; A60-Q100 HydrophobicContact CB-CG 4.47Å; Q96-Q100 WeakPolarHBondContact O-CG 3.49Å; A97-Q100 PolarHBondContact O-N 2.69Å; Q100-Y102 VanDerWaalsContact O-CD2 3.22Å; Q100-Y102 WeakPolarHBondContact O-CD2 3.26Å; Q100-Y102 VanDerWaalsContact O-CE2 3.23Å; Q100-Y102 WeakPolarHBondContact O-CE2 3.49Å |
| 101 | V | 98.5 | Very high | 98 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | trans | -69 | 140.4 | -171.4 | -66.1 | 0 | 0 | 0 | 0 | 113 | F59 T63 A97 C103 Y105 G418 S419 G420 | F59-V101 HydrophobicContact CB-CG1 3.99Å; F59-V101 HydrophobicContact CD1-CG1 3.75Å; F59-V101 HydrophobicContact CG-CG1 4.17Å; T63-V101 HydrophobicContact CG2-CB 4.1Å; T63-V101 HydrophobicContact CG2-CG1 3.92Å; A97-V101 HydrophobicContact CB-CG1 4.12Å; A97-V101 WeakPolarHBondContact O-CG1 3.33Å; A97-V101 WeakPolarHBondContact O-CG2 3.46Å; A97-V101 PolarHBondContact O-N 3.04Å; V101-C103 WeakPolarHBondContact CB-O 3.5Å; V101-Y105 HydrophobicContact CB-CD1 4.38Å; V101-Y105 HydrophobicContact CG1-CD1 4.01Å; V101-Y105 HydrophobicContact CG1-CE1 4.44Å; V101-Y105 HydrophobicContact CG1-CG 4.28Å; V101-Y105 HydrophobicContact CG2-CD1 3.81Å; V101-Y105 HydrophobicContact CG2-CE1 3.99Å; V101-G418 CarbonylContact O-C 3.09Å; V101-G418 VanDerWaalsContact O-CA 3.27Å; V101-G418 WeakPolarHBondContact O-CA 3.43Å; V101-G418 PolarHBondContact O-N 3.05Å; V101-S419 PolarHBondContact O-N 3.37Å; V101-S419 VanDerWaalsContact O-N 3.12Å; V101-G420 WeakPolarHBondContact CG2-O 3.19Å; V101-G420 PolarHBondContact O-N 3.37Å | ||
| 102 | Y | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 31.1 Ų | 31.1 | 10% | 0.102 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -100.3 | -8.5 | 174.1 | -67.4 | -104.6 | 0 | 0 | 0 | 112.5 | A60 T63 K64 Q100 V413 V415 A417 S419 | A60-Y102 HydrophobicContact CB-CE2 4.06Å; T63-Y102 WeakPolarHBondContact OG1-CD2 3.44Å; T63-Y102 PolarHBondContact OG1-N 3.22Å; K64-Y102 HydrophobicContact CD-CE2 4.2Å; K64-Y102 VanDerWaalsContact CE-CE2 3.41Å; K64-Y102 WeakPolarHBondContact CE-OH 3.45Å; K64-Y102 HydrophobicContact CG-CD1 4.36Å; K64-Y102 HydrophobicContact CG-CD2 3.77Å; K64-Y102 HydrophobicContact CG-CE1 4.39Å; K64-Y102 HydrophobicContact CG-CE2 3.86Å; K64-Y102 HydrophobicContact CG-CG 4.06Å; K64-Y102 PolarHBondContact NZ-OH 3.05Å; Q100-Y102 VanDerWaalsContact O-CD2 3.22Å; Q100-Y102 WeakPolarHBondContact O-CD2 3.26Å; Q100-Y102 VanDerWaalsContact O-CE2 3.23Å; Q100-Y102 WeakPolarHBondContact O-CE2 3.49Å; Y102-V413 HydrophobicContact CD1-CG1 3.37Å; Y102-V413 HydrophobicContact CE1-CG1 3.79Å; Y102-V413 HydrophobicContact CG-CG1 4.19Å; Y102-V415 HydrophobicContact CD1-CG2 4.08Å; Y102-V415 WeakPolarHBondContact CD1-O 3.16Å; Y102-V415 WeakPolarHBondContact CE1-O 3.24Å; Y102-A417 HydrophobicContact CE1-CB 4.44Å; Y102-A417 HydrophobicContact CE2-CB 4.03Å; Y102-S419 PolarHBondContact O-OG 3.5Å |
| 103 | C | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -139.3 | 163.9 | 179.1 | 74.2 | 0 | 0 | 0 | 0 | 110.7 | L67 T72 V101 V402 G420 | L67-C103 HydrophobicContact CD2-CB 3.8Å; L67-C103 HydrophobicContact CG-CB 4.17Å; T72-C103 VanDerWaalsContact O-CB 3.29Å; T72-C103 WeakPolarHBondContact O-CB 3.05Å; V101-C103 WeakPolarHBondContact CB-O 3.5Å; C103-V402 HydrophobicContact CB-CG2 4.18Å; C103-G420 WeakPolarHBondContact O-CA 3.43Å |
| 104 | D | 98.7 | Very high | 97.4 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.07 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.3 | 152.1 | -177.3 | -76.7 | -7.2 | 0 | 0 | 0 | 111.4 | T72 M73 I74 K352 K421 I423 | T72-D104 PolarHBondContact O-N 3.26Å; M73-D104 VanDerWaalsContact CA-O 3.23Å; M73-D104 WeakPolarHBondContact CA-O 2.79Å; M73-D104 HydrophobicContact CG-CB 4.43Å; M73-D104 WeakPolarHBondContact CG-O 3.36Å; I74-D104 PolarHBondContact N-O 3.25Å; I74-D104 VanDerWaalsContact N-O 3.17Å; D104-K352 IonicContact OD2-NZ 2.55Å; D104-K352 PolarHBondContact OD2-NZ 3.37Å; D104-K421 WeakPolarHBondContact CA-O 3.4Å; D104-K421 PolarHBondContact OD1-N 3.47Å; D104-I423 HydrophobicContact CB-CD1 4.16Å; D104-I423 HydrophobicContact CB-CG1 3.95Å |
| 105 | Y | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 153.9 | -178.4 | 79.5 | -74.3 | 0 | 0 | 0 | 113.6 | I74 K94 A97 D98 V101 L107 K421 Y422 I423 | I74-Y105 CarbonylContact O-C 3.57Å; I74-Y105 WeakPolarHBondContact O-CA 3.37Å; K94-Y105 VanDerWaalsContact CG-OH 3.32Å; K94-Y105 WeakPolarHBondContact CG-OH 3.38Å; K94-Y105 PolarHBondContact O-OH 3.49Å; A97-Y105 HydrophobicContact CB-CD2 4.01Å; A97-Y105 HydrophobicContact CB-CE1 4Å; A97-Y105 HydrophobicContact CB-CE2 3.36Å; D98-Y105 PolarHBondContact OD1-OH 3.1Å; V101-Y105 HydrophobicContact CB-CD1 4.38Å; V101-Y105 HydrophobicContact CG1-CD1 4.01Å; V101-Y105 HydrophobicContact CG1-CE1 4.44Å; V101-Y105 HydrophobicContact CG1-CG 4.28Å; V101-Y105 HydrophobicContact CG2-CD1 3.81Å; V101-Y105 HydrophobicContact CG2-CE1 3.99Å; Y105-L107 HydrophobicContact CD2-CD2 4.03Å; Y105-L107 HydrophobicContact CD2-CG 4.15Å; Y105-L107 HydrophobicContact CE2-CD1 4.14Å; Y105-L107 HydrophobicContact CE2-CD2 4.03Å; Y105-L107 HydrophobicContact CE2-CG 3.92Å; Y105-K421 PolarHBondContact N-O 3.42Å; Y105-Y422 HydrophobicContact CD2-CD2 4.17Å; Y105-Y422 HydrophobicContact CE1-CD2 4.35Å; Y105-Y422 AromaticContact CE2-CD2 3.63Å; Y105-Y422 HydrophobicContact CE2-CD2 3.63Å; Y105-Y422 HydrophobicContact CE2-CE2 4.42Å; Y105-Y422 AromaticContact CZ-CD2 3.73Å; Y105-Y422 CarbonylContact O-C 3.52Å; Y105-Y422 WeakPolarHBondContact O-CA 3.17Å; Y105-I423 PolarHBondContact O-N 3.03Å |
| 106 | A | 98.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 32.7 Ų | 32.7 | 3% | 0.025 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 171.6 | 165 | 0 | 0 | 0 | 0 | 0 | 109.9 | M73 I74 I75 N76 V425 | M73-A106 HydrophobicContact CE-CB 3.63Å; I74-A106 PolarHBondContact O-N 2.94Å; I75-A106 WeakPolarHBondContact CA-O 3.26Å; I75-A106 HydrophobicContact CG1-CB 4.32Å; I75-A106 HydrophobicContact CG2-CB 4.48Å; N76-A106 PolarHBondContact N-O 3.45Å; A106-V425 HydrophobicContact CB-CG2 3.75Å |
| 107 | L | 98.7 | Very high | 97.2 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 128.3 | -176.7 | -66 | 177.5 | 0 | 0 | 0 | 111 | N76 V78 F90 K94 Y105 Y422 | N76-L107 HydrophobicContact CB-CD2 4Å; N76-L107 WeakPolarHBondContact O-CA 3.42Å; V78-L107 HydrophobicContact CG2-CB 3.95Å; V78-L107 HydrophobicContact CG2-CD1 3.98Å; V78-L107 HydrophobicContact CG2-CD2 3.99Å; V78-L107 HydrophobicContact CG2-CG 4.18Å; F90-L107 HydrophobicContact CD2-CB 4.44Å; F90-L107 HydrophobicContact CD2-CD1 3.89Å; F90-L107 HydrophobicContact CE2-CB 4.16Å; F90-L107 HydrophobicContact CE2-CD1 3.65Å; F90-L107 HydrophobicContact CE2-CG 4.5Å; F90-L107 HydrophobicContact CZ-CD1 4.45Å; K94-L107 HydrophobicContact CB-CD1 4.03Å; K94-L107 HydrophobicContact CG-CD1 4.46Å; Y105-L107 HydrophobicContact CD2-CD2 4.03Å; Y105-L107 HydrophobicContact CD2-CG 4.15Å; Y105-L107 HydrophobicContact CE2-CD1 4.14Å; Y105-L107 HydrophobicContact CE2-CD2 4.03Å; Y105-L107 HydrophobicContact CE2-CG 3.92Å; L107-Y422 HydrophobicContact CB-CE2 4.33Å; L107-Y422 HydrophobicContact CD1-CE2 4.24Å; L107-Y422 HydrophobicContact CG-CE2 4.08Å |
| 108 | S | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 3% | 0.028 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 144.7 | 161.5 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | N76 C77 V78 S133 | N76-S108 PolarHBondContact O-N 3.27Å; C77-S108 CarbonylContact C-O 3.58Å; C77-S108 WeakPolarHBondContact CA-O 3.21Å; V78-S108 PolarHBondContact N-O 2.98Å; S108-S133 WeakPolarHBondContact CA-O 3.32Å; S108-S133 WeakPolarHBondContact CB-OG 3.4Å; S108-S133 PolarHBondContact OG-O 2.86Å; S108-S133 VanDerWaalsContact OG-O 3.14Å; S108-S133 PolarHBondContact OG-OG 3.07Å; S108-S133 VanDerWaalsContact OG-OG 3.08Å |
| 109 | V | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125 | -176.8 | -179.6 | 0 | 0 | 0 | 0 | 111.6 | V78 L86 F90 L125 V131 S133 F134 K135 | V78-V109 HydrophobicContact CB-CB 4.5Å; V78-V109 HydrophobicContact CB-CG1 4.48Å; V78-V109 HydrophobicContact CB-CG2 4.15Å; V78-V109 HydrophobicContact CG2-CG2 4.08Å; L86-V109 HydrophobicContact CB-CG1 4.26Å; L86-V109 HydrophobicContact CD2-CG1 4.18Å; F90-V109 HydrophobicContact CD2-CG2 4.25Å; V109-L125 HydrophobicContact CB-CD1 4.46Å; V109-L125 HydrophobicContact CG1-CD1 4.33Å; V109-L125 HydrophobicContact CG2-CD1 4.09Å; V109-V131 HydrophobicContact CG2-CG1 4.07Å; V109-V131 HydrophobicContact CG2-CG2 4.4Å; V109-S133 PolarHBondContact N-O 3Å; V109-F134 HydrophobicContact CB-CD1 3.94Å; V109-F134 HydrophobicContact CB-CE1 4.07Å; V109-F134 CarbonylContact O-C 3.46Å; V109-F134 WeakPolarHBondContact O-CA 3.31Å; V109-K135 PolarHBondContact O-N 2.9Å |
| 110 | L | 96 | Very high | 97.2 | Very high | 17 Ų | 17 | 34.2 Ų | 34.2 | 9% | 0.089 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 126.5 | 170 | 177.5 | 63.1 | 0 | 0 | 0 | 109.3 | V78 S80 L86 P112 K135 P144 | V78-L110 VanDerWaalsContact O-CB 3.28Å; V78-L110 WeakPolarHBondContact O-CB 3.33Å; V78-L110 PolarHBondContact O-N 3.25Å; V78-L110 VanDerWaalsContact O-N 3.15Å; S80-L110 WeakPolarHBondContact CB-O 3.5Å; S80-L110 PolarHBondContact OG-O 2.74Å; L86-L110 WeakPolarHBondContact CD2-O 3.25Å; L110-P112 WeakPolarHBondContact O-CD 3.27Å; L110-K135 WeakPolarHBondContact CA-O 3.23Å; L110-K135 HydrophobicContact CD1-CB 4.32Å; L110-K135 HydrophobicContact CD1-CD 4.33Å; L110-K135 HydrophobicContact CD1-CG 4.23Å; L110-P144 HydrophobicContact CD2-CG 4.21Å |
| 111 | V | 96.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | trans | -101.4 | 102.6 | 175.7 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | L86 K113 M122 F134 K135 F136 | L86-V111 HydrophobicContact CD1-CG1 4.37Å; L86-V111 HydrophobicContact CD1-CG2 4.03Å; V111-K113 WeakPolarHBondContact CG1-O 3.47Å; V111-M122 HydrophobicContact CG2-CG 4.38Å; V111-M122 HydrophobicContact CG2-SD 4.01Å; V111-F134 HydrophobicContact CG2-CB 4.11Å; V111-F134 HydrophobicContact CG2-CD1 3.87Å; V111-F134 HydrophobicContact CG2-CG 4.33Å; V111-K135 PolarHBondContact N-O 3.14Å; V111-F136 HydrophobicContact CB-CD1 3.82Å; V111-F136 HydrophobicContact CB-CE1 3.56Å; V111-F136 HydrophobicContact CG1-CD1 4.39Å; V111-F136 HydrophobicContact CG1-CE1 3.97Å; V111-F136 HydrophobicContact CG2-CD1 4.36Å; V111-F136 HydrophobicContact CG2-CE1 3.72Å; V111-F136 HydrophobicContact CG2-CZ 4.24Å | ||
| 112 | P | 93.1 | Very high | 97.2 | Very high | 7 Ų | 7 | 33.2 Ų | 33.2 | 5% | 0.045 | 17% | 0.167 | C | C | . | . | trans | -84 | -18 | -167.6 | 32.9 | -35.2 | 0 | 0 | 0 | 114.2 | T81 V82 L110 P144 | T81-P112 WeakPolarHBondContact O-CG 3.35Å; V82-P112 HydrophobicContact CG1-CB 4.07Å; L110-P112 WeakPolarHBondContact O-CD 3.27Å; P112-P144 HydrophobicContact CB-CB 3.4Å; P112-P144 HydrophobicContact CB-CG 3.62Å; P112-P144 WeakPolarHBondContact O-CB 3.46Å | ||
| 113 | K | 92.9 | Very high | 97.2 | Very high | 89 Ų | 89 | 33.6 Ų | 33.6 | 39% | 0.387 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -148.8 | 153.5 | 177.4 | 67.6 | -177 | -177.3 | -169.5 | 0 | 109.1 | V82 V111 S118 | V82-K113 WeakPolarHBondContact O-CE 3.38Å; V82-K113 PolarHBondContact O-NZ 3.37Å; V111-K113 WeakPolarHBondContact CG1-O 3.47Å; K113-S118 PolarHBondContact O-OG 3.4Å; K113-S118 VanDerWaalsContact O-OG 3.08Å |
| 114 | W | 94.8 | Very high | 97.2 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 17% | 0.17 | 19% | 0.192 | C | C | . | . | trans | -98.4 | 122.6 | 173.4 | -170.5 | -115.5 | 0 | 0 | 0 | 110.5 | K119 M122 L146 E150 E153 A154 H157 | W114-K119 HydrophobicContact CH2-CB 4.06Å; W114-K119 HydrophobicContact CH2-CG 4.14Å; W114-K119 HydrophobicContact CZ2-CB 4.31Å; W114-K119 HydrophobicContact CZ2-CD 4.43Å; W114-K119 HydrophobicContact CZ2-CG 4.31Å; W114-M122 HydrophobicContact CH2-SD 4.27Å; W114-M122 HydrophobicContact CZ3-CE 4.43Å; W114-M122 HydrophobicContact CZ3-SD 3.59Å; W114-M122 VanDerWaalsContact CZ3-SD 3.59Å; W114-L146 HydrophobicContact CB-CD2 4.15Å; W114-E150 HydrophobicContact CB-CB 3.75Å; W114-E150 HydrophobicContact CB-CG 3.95Å; W114-E150 HydrophobicContact CG-CB 4.29Å; W114-E153 HydrophobicContact CZ2-CB 4.19Å; W114-A154 HydrophobicContact CD2-CB 4.04Å; W114-A154 HydrophobicContact CE3-CB 3.61Å; W114-A154 HydrophobicContact CH2-CB 4.21Å; W114-A154 HydrophobicContact CZ3-CB 3.7Å; W114-H157 HydrophobicContact CH2-CB 3.56Å; W114-H157 AromaticContact CH2-CD2 3.79Å; W114-H157 AromaticContact CH2-CG 3.85Å; W114-H157 HydrophobicContact CZ2-CB 4.1Å | ||
| 115 | S | 95.5 | Very high | 97.2 | Very high | 40 Ų | 40 | 36.5 Ų | 36.5 | 28% | 0.28 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -158 | 164.4 | -179 | 68.7 | 0 | 0 | 0 | 0 | 110.5 | G117 S118 K119 | S115-G117 PolarHBondContact O-N 3.06Å; S115-S118 PolarHBondContact O-N 3.3Å; S115-S118 VanDerWaalsContact O-N 3.14Å; S115-S118 PolarHBondContact OG-N 3Å; S115-S118 VanDerWaalsContact OG-N 3.15Å; S115-S118 PolarHBondContact OG-OG 3.11Å; S115-K119 WeakPolarHBondContact O-CB 3.33Å; S115-K119 PolarHBondContact O-N 3.26Å |
| 116 | E | 96.7 | Very high | 97.2 | Very high | 141 Ų | 141 | 37 Ų | 37 | 66% | 0.659 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -59.1 | -33.1 | 174.1 | -73 | -57.5 | 128.1 | 0 | 0 | 112.4 | K119 K120 | E116-K119 PolarHBondContact O-N 3.38Å; E116-K120 WeakPolarHBondContact O-CB 3.43Å; E116-K120 PolarHBondContact O-N 2.8Å |
| 117 | G | 97.1 | Very high | 97.2 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 41% | 0.412 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62.7 | -51.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112 | S115 K119 K120 D121 | S115-G117 PolarHBondContact O-N 3.06Å; G117-K119 VanDerWaalsContact C-N 3.29Å; G117-K119 PolarHBondContact O-N 2.81Å; G117-K120 PolarHBondContact O-N 2.61Å; G117-D121 PolarHBondContact O-N 3.21Å |
| 118 | S | 96.8 | Very high | 97.2 | Very high | 7 Ų | 7 | 48.8 Ų | 48.8 | 5% | 0.049 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -58.5 | -41.4 | 176.5 | -50.2 | 0 | 0 | 0 | 0 | 111.8 | K113 S115 D121 M122 | K113-S118 PolarHBondContact O-OG 3.4Å; K113-S118 VanDerWaalsContact O-OG 3.08Å; S115-S118 PolarHBondContact O-N 3.3Å; S115-S118 VanDerWaalsContact O-N 3.14Å; S115-S118 PolarHBondContact OG-N 3Å; S115-S118 VanDerWaalsContact OG-N 3.15Å; S115-S118 PolarHBondContact OG-OG 3.11Å; S118-D121 PolarHBondContact O-N 3.42Å; S118-M122 WeakPolarHBondContact O-CB 3.35Å; S118-M122 WeakPolarHBondContact O-CG 3.34Å; S118-M122 PolarHBondContact O-N 3Å |
| 119 | K | 98 | Very high | 97.2 | Very high | 68 Ų | 68 | 51.1 Ų | 51.1 | 30% | 0.296 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.7 | -45.6 | 177.2 | -173.4 | -176.8 | 177.5 | -178.4 | 0 | 112.1 | W114 S115 E116 G117 A123 H157 | W114-K119 HydrophobicContact CH2-CB 4.06Å; W114-K119 HydrophobicContact CH2-CG 4.14Å; W114-K119 HydrophobicContact CZ2-CB 4.31Å; W114-K119 HydrophobicContact CZ2-CD 4.43Å; W114-K119 HydrophobicContact CZ2-CG 4.31Å; S115-K119 WeakPolarHBondContact O-CB 3.33Å; S115-K119 PolarHBondContact O-N 3.26Å; E116-K119 PolarHBondContact O-N 3.38Å; G117-K119 VanDerWaalsContact C-N 3.29Å; G117-K119 PolarHBondContact O-N 2.81Å; K119-A123 PolarHBondContact O-N 2.86Å; K119-H157 WeakPolarHBondContact CG-CE1 3.23Å; K119-H157 VanDerWaalsContact CG-NE2 3.34Å; K119-H157 WeakPolarHBondContact CG-NE2 3.49Å; K119-H157 PolarHBondContact O-NE2 2.63Å |
| 120 | K | 98.4 | Very high | 97.2 | Very high | 164 Ų | 164 | 51.3 Ų | 51.3 | 71% | 0.713 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -64.5 | -47.3 | 176.8 | -175.5 | -177.3 | 175.6 | -173.9 | 0 | 111.4 | E116 G117 M122 A123 E124 | E116-K120 WeakPolarHBondContact O-CB 3.43Å; E116-K120 PolarHBondContact O-N 2.8Å; G117-K120 PolarHBondContact O-N 2.61Å; K120-M122 VanDerWaalsContact C-N 3.32Å; K120-M122 PolarHBondContact O-N 3.01Å; K120-A123 WeakPolarHBondContact O-CB 3.29Å; K120-A123 PolarHBondContact O-N 2.78Å; K120-A123 VanDerWaalsContact O-N 3.14Å; K120-E124 PolarHBondContact O-N 2.55Å |
| 121 | D | 98.6 | Very high | 97.3 | Very high | 27 Ų | 27 | 50.6 Ų | 50.6 | 14% | 0.144 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.4 | -41.4 | 179.3 | -70.7 | -7.3 | 0 | 0 | 0 | 111.4 | S85 L86 M87 G117 S118 A123 E124 L125 | S85-D121 WeakPolarHBondContact CB-OD2 3.41Å; L86-D121 HydrophobicContact CB-CB 3.78Å; L86-D121 HydrophobicContact CD1-CB 4.2Å; L86-D121 HydrophobicContact CG-CB 4.26Å; L86-D121 PolarHBondContact N-OD2 3.31Å; M87-D121 HydrophobicContact CG-CB 4Å; G117-D121 PolarHBondContact O-N 3.21Å; S118-D121 PolarHBondContact O-N 3.42Å; D121-A123 VanDerWaalsContact C-N 3.29Å; D121-A123 PolarHBondContact O-N 2.9Å; D121-E124 PolarHBondContact O-N 2.89Å; D121-L125 WeakPolarHBondContact O-CB 3.41Å; D121-L125 VanDerWaalsContact O-CG 3.26Å; D121-L125 WeakPolarHBondContact O-CG 3.31Å; D121-L125 PolarHBondContact O-N 3.39Å |
| 122 | M | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.6 | -41.6 | 175.2 | -74.5 | 172.5 | 66.4 | 0 | 0 | 112.2 | L86 V111 W114 S118 K120 L125 V126 F134 F136 L161 | L86-M122 HydrophobicContact CD1-CG 3.84Å; V111-M122 HydrophobicContact CG2-CG 4.38Å; V111-M122 HydrophobicContact CG2-SD 4.01Å; W114-M122 HydrophobicContact CH2-SD 4.27Å; W114-M122 HydrophobicContact CZ3-CE 4.43Å; W114-M122 HydrophobicContact CZ3-SD 3.59Å; W114-M122 VanDerWaalsContact CZ3-SD 3.59Å; S118-M122 WeakPolarHBondContact O-CB 3.35Å; S118-M122 WeakPolarHBondContact O-CG 3.34Å; S118-M122 PolarHBondContact O-N 3Å; K120-M122 VanDerWaalsContact C-N 3.32Å; K120-M122 PolarHBondContact O-N 3.01Å; M122-L125 PolarHBondContact O-N 3.49Å; M122-V126 VanDerWaalsContact O-CG2 3.29Å; M122-V126 WeakPolarHBondContact O-CG2 3.46Å; M122-V126 PolarHBondContact O-N 3.14Å; M122-V126 VanDerWaalsContact O-N 3.08Å; M122-F134 HydrophobicContact CB-CE1 4.05Å; M122-F134 HydrophobicContact CB-CE2 4.21Å; M122-F134 HydrophobicContact CB-CZ 3.75Å; M122-F134 HydrophobicContact CE-CB 4.3Å; M122-F134 HydrophobicContact CE-CD1 4.22Å; M122-F134 HydrophobicContact CE-CD2 3.63Å; M122-F134 HydrophobicContact CE-CE2 3.95Å; M122-F134 HydrophobicContact CE-CG 3.77Å; M122-F134 HydrophobicContact CE-CZ 4.39Å; M122-F134 HydrophobicContact CG-CD1 3.9Å; M122-F134 HydrophobicContact CG-CE1 3.57Å; M122-F134 HydrophobicContact CG-CE2 4.29Å; M122-F134 HydrophobicContact CG-CG 4.41Å; M122-F134 HydrophobicContact CG-CZ 3.78Å; M122-F136 HydrophobicContact CE-CZ 4.14Å; M122-L161 HydrophobicContact CB-CD1 3.89Å |
| 123 | A | 98.7 | Very high | 97.6 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 28% | 0.281 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K119 K120 D121 K127 L161 | K119-A123 PolarHBondContact O-N 2.86Å; K120-A123 WeakPolarHBondContact O-CB 3.29Å; K120-A123 PolarHBondContact O-N 2.78Å; K120-A123 VanDerWaalsContact O-N 3.14Å; D121-A123 VanDerWaalsContact C-N 3.29Å; D121-A123 PolarHBondContact O-N 2.9Å; A123-K127 WeakPolarHBondContact O-CB 3.42Å; A123-K127 PolarHBondContact O-N 2.85Å; A123-L161 HydrophobicContact CB-CD1 4.49Å; A123-L161 HydrophobicContact CB-CD2 3.83Å |
| 124 | E | 98.6 | Very high | 97.9 | Very high | 74 Ų | 74 | 46.2 Ų | 46.2 | 35% | 0.346 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.2 | -47.4 | 176 | -173.7 | 60.2 | -155.9 | 0 | 0 | 111.6 | M87 K120 D121 V126 K127 N128 H129 | M87-E124 HydrophobicContact CE-CG 4.29Å; M87-E124 HydrophobicContact SD-CB 4.13Å; M87-E124 HydrophobicContact SD-CG 3.9Å; K120-E124 PolarHBondContact O-N 2.55Å; D121-E124 PolarHBondContact O-N 2.89Å; E124-V126 VanDerWaalsContact C-N 3.32Å; E124-V126 PolarHBondContact O-N 3.04Å; E124-K127 PolarHBondContact O-N 2.69Å; E124-N128 VanDerWaalsContact CD-ND2 3.26Å; E124-N128 PolarHBondContact O-N 2.74Å; E124-N128 PolarHBondContact OE1-ND2 2.79Å; E124-N128 PolarHBondContact OE2-ND2 3.45Å; E124-H129 IonicContact OE1-NE2 3.69Å |
| 125 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -58.2 | -43.3 | 178.5 | -74.6 | 169.3 | 0 | 0 | 0 | 112.4 | L86 M87 F90 V109 D121 M122 H129 G130 V131 F134 | L86-L125 HydrophobicContact CB-CD1 4.13Å; M87-L125 HydrophobicContact CE-CD2 4.26Å; M87-L125 HydrophobicContact SD-CD1 4.44Å; M87-L125 HydrophobicContact SD-CD2 3.43Å; M87-L125 WeakPolarHBondContact SD-CD2 3.49Å; M87-L125 HydrophobicContact SD-CG 3.5Å; M87-L125 VanDerWaalsContact SD-CG 3.5Å; F90-L125 HydrophobicContact CB-CD2 3.68Å; F90-L125 HydrophobicContact CD1-CD2 3.72Å; F90-L125 HydrophobicContact CD2-CD2 3.77Å; F90-L125 HydrophobicContact CE1-CD2 4.31Å; F90-L125 HydrophobicContact CE2-CD2 4.33Å; F90-L125 HydrophobicContact CG-CD2 3.43Å; F90-L125 VanDerWaalsContact CG-CD2 3.43Å; V109-L125 HydrophobicContact CB-CD1 4.46Å; V109-L125 HydrophobicContact CG1-CD1 4.33Å; V109-L125 HydrophobicContact CG2-CD1 4.09Å; D121-L125 WeakPolarHBondContact O-CB 3.41Å; D121-L125 VanDerWaalsContact O-CG 3.26Å; D121-L125 WeakPolarHBondContact O-CG 3.31Å; D121-L125 PolarHBondContact O-N 3.39Å; M122-L125 PolarHBondContact O-N 3.49Å; L125-H129 HydrophobicContact CD2-CB 4.19Å; L125-H129 CarbonylContact O-C 3.26Å; L125-H129 WeakPolarHBondContact O-CA 3.43Å; L125-H129 WeakPolarHBondContact O-CB 3.34Å; L125-H129 PolarHBondContact O-N 3.13Å; L125-H129 VanDerWaalsContact O-N 3.14Å; L125-G130 PolarHBondContact O-N 3.43Å; L125-G130 VanDerWaalsContact O-N 3.14Å; L125-V131 HydrophobicContact CB-CB 4.04Å; L125-V131 HydrophobicContact CB-CG2 4.23Å; L125-V131 HydrophobicContact CD2-CG2 4.21Å; L125-V131 PolarHBondContact O-N 3.01Å; L125-F134 HydrophobicContact CB-CZ 4.26Å; L125-F134 HydrophobicContact CD1-CE1 3.95Å; L125-F134 HydrophobicContact CD1-CZ 4.48Å |
| 126 | V | 98.8 | Very high | 98 | Very high | 11 Ų | 11 | 43.2 Ų | 43.2 | 7% | 0.067 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.4 | -46 | 177.5 | 172 | 0 | 0 | 0 | 0 | 111.5 | M122 E124 V131 F134 L161 A163 P427 | M122-V126 VanDerWaalsContact O-CG2 3.29Å; M122-V126 WeakPolarHBondContact O-CG2 3.46Å; M122-V126 PolarHBondContact O-N 3.14Å; M122-V126 VanDerWaalsContact O-N 3.08Å; E124-V126 VanDerWaalsContact C-N 3.32Å; E124-V126 PolarHBondContact O-N 3.04Å; V126-V131 VanDerWaalsContact CA-O 3.26Å; V126-V131 WeakPolarHBondContact CA-O 3.18Å; V126-V131 WeakPolarHBondContact CG2-O 3.11Å; V126-F134 HydrophobicContact CG2-CE2 3.59Å; V126-F134 HydrophobicContact CG2-CZ 3.85Å; V126-L161 HydrophobicContact CG1-CB 4.32Å; V126-L161 HydrophobicContact CG2-CB 4.12Å; V126-L161 HydrophobicContact CG2-CD1 4Å; V126-A163 HydrophobicContact CG2-CB 4.17Å; V126-P427 HydrophobicContact CG1-CB 3.71Å; V126-P427 HydrophobicContact CG1-CG 3.85Å |
| 127 | K | 98.2 | Very high | 97.8 | Very high | 164 Ų | 164 | 37.2 Ų | 37.2 | 71% | 0.713 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -72.5 | -43.4 | -172 | -172.3 | -178.1 | 174.8 | -178.2 | 0 | 112.5 | A123 E124 | A123-K127 WeakPolarHBondContact O-CB 3.42Å; A123-K127 PolarHBondContact O-N 2.85Å; E124-K127 PolarHBondContact O-N 2.69Å |
| 128 | N | 98.3 | Very high | 97.3 | Very high | 91 Ų | 91 | 35.6 Ų | 35.6 | 49% | 0.487 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -120.6 | -14.2 | -165.3 | -65.4 | -33.7 | 0 | 0 | 0 | 114.1 | E124 | E124-N128 VanDerWaalsContact CD-ND2 3.26Å; E124-N128 PolarHBondContact O-N 2.74Å; E124-N128 PolarHBondContact OE1-ND2 2.79Å; E124-N128 PolarHBondContact OE2-ND2 3.45Å |
| 129 | H | 98.4 | Very high | 96.4 | Very high | 52 Ų | 52 | 35.7 Ų | 35.7 | 24% | 0.241 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -115.5 | -3.9 | -176.1 | -63.4 | -85.6 | 0 | 0 | 0 | 114.8 | M87 F90 E124 L125 Y422 | M87-H129 WeakPolarHBondContact CE-NE2 3.46Å; F90-H129 HydrophobicContact CE1-CB 3.74Å; F90-H129 AromaticContact CE1-CG 3.86Å; F90-H129 AromaticContact CE1-ND1 3.61Å; F90-H129 HydrophobicContact CZ-CB 3.76Å; E124-H129 IonicContact OE1-NE2 3.69Å; L125-H129 HydrophobicContact CD2-CB 4.19Å; L125-H129 CarbonylContact O-C 3.26Å; L125-H129 WeakPolarHBondContact O-CA 3.43Å; L125-H129 WeakPolarHBondContact O-CB 3.34Å; L125-H129 PolarHBondContact O-N 3.13Å; L125-H129 VanDerWaalsContact O-N 3.14Å; H129-Y422 WeakPolarHBondContact O-CE1 3.3Å; H129-Y422 PolarHBondContact O-OH 2.88Å |
| 130 | G | 98.2 | Very high | 95 | Very high | 5 Ų | 5 | 34 Ų | 34 | 5% | 0.052 | 17% | 0.172 | C | C | . | . | trans | 75.6 | 28.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L125 Y422 S424 V425 | L125-G130 PolarHBondContact O-N 3.43Å; L125-G130 VanDerWaalsContact O-N 3.14Å; G130-Y422 PolarHBondContact O-OH 3.49Å; G130-S424 VanDerWaalsContact CA-OG 3.24Å; G130-S424 WeakPolarHBondContact CA-OG 3.44Å; G130-V425 CarbonylContact C-O 3.53Å; G130-V425 WeakPolarHBondContact O-CA 3.37Å; G130-V425 VanDerWaalsContact O-CB 3.31Å; G130-V425 WeakPolarHBondContact O-CB 3.4Å; G130-V425 PolarHBondContact O-N 3.48Å | ||
| 131 | V | 98.6 | Very high | 93 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.006 | 17% | 0.168 | C | C | . | . | trans | -95.5 | 121.6 | 172.7 | 175.7 | 0 | 0 | 0 | 0 | 108.8 | F90 V109 L125 V126 F134 | F90-V131 HydrophobicContact CD2-CG2 3.88Å; F90-V131 HydrophobicContact CE2-CG2 3.45Å; F90-V131 VanDerWaalsContact CE2-CG2 3.45Å; F90-V131 HydrophobicContact CZ-CG2 4.24Å; V109-V131 HydrophobicContact CG2-CG1 4.07Å; V109-V131 HydrophobicContact CG2-CG2 4.4Å; L125-V131 HydrophobicContact CB-CB 4.04Å; L125-V131 HydrophobicContact CB-CG2 4.23Å; L125-V131 HydrophobicContact CD2-CG2 4.21Å; L125-V131 PolarHBondContact O-N 3.01Å; V126-V131 VanDerWaalsContact CA-O 3.26Å; V126-V131 WeakPolarHBondContact CA-O 3.18Å; V126-V131 WeakPolarHBondContact CG2-O 3.11Å; V131-F134 HydrophobicContact CG1-CE1 4.09Å; V131-F134 HydrophobicContact CG1-CZ 4.02Å | ||
| 132 | N | 97.9 | Very high | 90.8 | Very high | 6 Ų | 6 | 36.4 Ų | 36.4 | 3% | 0.032 | 19% | 0.194 | C | C | . | . | trans | -118.3 | 11.2 | 176.8 | 75.9 | -11.1 | 0 | 0 | 0 | 113.9 | A163 L164 F346 V425 A426 | N132-A163 CarbonylContact O-C 3.51Å; N132-A163 VanDerWaalsContact O-CA 3.24Å; N132-A163 WeakPolarHBondContact O-CA 3.44Å; N132-A163 WeakPolarHBondContact O-CB 2.75Å; N132-L164 PolarHBondContact O-N 3.27Å; N132-F346 PolarHBondContact ND2-O 3.01Å; N132-V425 HydrophobicContact CB-CB 4.46Å; N132-V425 HydrophobicContact CB-CG1 4.35Å; N132-V425 VanDerWaalsContact CG-CG1 3.4Å; N132-V425 WeakPolarHBondContact ND2-CG1 3.13Å; N132-A426 PolarHBondContact ND2-O 3.39Å | ||
| 133 | S | 98.6 | Very high | 89.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 137.6 | 177.5 | 68.4 | 0 | 0 | 0 | 0 | 112.9 | S108 V109 L164 | S108-S133 WeakPolarHBondContact CA-O 3.32Å; S108-S133 WeakPolarHBondContact CB-OG 3.4Å; S108-S133 PolarHBondContact OG-O 2.86Å; S108-S133 VanDerWaalsContact OG-O 3.14Å; S108-S133 PolarHBondContact OG-OG 3.07Å; S108-S133 VanDerWaalsContact OG-OG 3.08Å; V109-S133 PolarHBondContact N-O 3Å; S133-L164 VanDerWaalsContact CA-O 3.29Å; S133-L164 WeakPolarHBondContact CA-O 3.45Å |
| 134 | F | 98.5 | Very high | 87.9 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 136.5 | 178.2 | -64.8 | -79.8 | 0 | 0 | 0 | 110.4 | V109 V111 M122 L125 V126 V131 F136 A163 L164 R166 | V109-F134 HydrophobicContact CB-CD1 3.94Å; V109-F134 HydrophobicContact CB-CE1 4.07Å; V109-F134 CarbonylContact O-C 3.46Å; V109-F134 WeakPolarHBondContact O-CA 3.31Å; V111-F134 HydrophobicContact CG2-CB 4.11Å; V111-F134 HydrophobicContact CG2-CD1 3.87Å; V111-F134 HydrophobicContact CG2-CG 4.33Å; M122-F134 HydrophobicContact CB-CE1 4.05Å; M122-F134 HydrophobicContact CB-CE2 4.21Å; M122-F134 HydrophobicContact CB-CZ 3.75Å; M122-F134 HydrophobicContact CE-CB 4.3Å; M122-F134 HydrophobicContact CE-CD1 4.22Å; M122-F134 HydrophobicContact CE-CD2 3.63Å; M122-F134 HydrophobicContact CE-CE2 3.95Å; M122-F134 HydrophobicContact CE-CG 3.77Å; M122-F134 HydrophobicContact CE-CZ 4.39Å; M122-F134 HydrophobicContact CG-CD1 3.9Å; M122-F134 HydrophobicContact CG-CE1 3.57Å; M122-F134 HydrophobicContact CG-CE2 4.29Å; M122-F134 HydrophobicContact CG-CG 4.41Å; M122-F134 HydrophobicContact CG-CZ 3.78Å; L125-F134 HydrophobicContact CB-CZ 4.26Å; L125-F134 HydrophobicContact CD1-CE1 3.95Å; L125-F134 HydrophobicContact CD1-CZ 4.48Å; V126-F134 HydrophobicContact CG2-CE2 3.59Å; V126-F134 HydrophobicContact CG2-CZ 3.85Å; V131-F134 HydrophobicContact CG1-CE1 4.09Å; V131-F134 HydrophobicContact CG1-CZ 4.02Å; F134-F136 HydrophobicContact CB-CE2 3.91Å; F134-F136 HydrophobicContact CB-CZ 3.79Å; F134-A163 HydrophobicContact CD2-CB 3.8Å; F134-A163 HydrophobicContact CE2-CB 3.78Å; F134-L164 PolarHBondContact N-O 3.09Å; F134-R166 PolarHBondContact O-N 3.42Å |
| 135 | K | 96.9 | Very high | 87.2 | Confident | 22 Ų | 22 | 38 Ų | 38 | 10% | 0.096 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 134.4 | 176.5 | -172.1 | -175.6 | 175.4 | -170.3 | 0 | 109.7 | V109 L110 V111 R166 | V109-K135 PolarHBondContact O-N 2.9Å; L110-K135 WeakPolarHBondContact CA-O 3.23Å; L110-K135 HydrophobicContact CD1-CB 4.32Å; L110-K135 HydrophobicContact CD1-CD 4.33Å; L110-K135 HydrophobicContact CD1-CG 4.23Å; V111-K135 PolarHBondContact N-O 3.14Å; K135-R166 CarbonylContact C-O 3.44Å; K135-R166 VanDerWaalsContact CA-O 3.29Å; K135-R166 WeakPolarHBondContact CA-O 3.07Å; K135-R166 HydrophobicContact CB-CB 4.46Å |
| 136 | F | 95.5 | Very high | 86.8 | Confident | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 156.6 | 172 | -51.3 | -80.7 | 0 | 0 | 0 | 109.1 | V111 M122 F134 L146 L151 A154 A165 R166 I167 H168 | V111-F136 HydrophobicContact CB-CD1 3.82Å; V111-F136 HydrophobicContact CB-CE1 3.56Å; V111-F136 HydrophobicContact CG1-CD1 4.39Å; V111-F136 HydrophobicContact CG1-CE1 3.97Å; V111-F136 HydrophobicContact CG2-CD1 4.36Å; V111-F136 HydrophobicContact CG2-CE1 3.72Å; V111-F136 HydrophobicContact CG2-CZ 4.24Å; M122-F136 HydrophobicContact CE-CZ 4.14Å; F134-F136 HydrophobicContact CB-CE2 3.91Å; F134-F136 HydrophobicContact CB-CZ 3.79Å; F136-L146 HydrophobicContact CD1-CD1 3.64Å; F136-L146 HydrophobicContact CE1-CD1 4.34Å; F136-L146 HydrophobicContact CG-CD1 4.44Å; F136-L151 HydrophobicContact CB-CD1 3.97Å; F136-L151 HydrophobicContact CG-CD1 4.17Å; F136-A154 HydrophobicContact CD1-CB 4.23Å; F136-A154 HydrophobicContact CE1-CB 3.62Å; F136-A154 HydrophobicContact CZ-CB 3.91Å; F136-A165 HydrophobicContact CD2-CB 4.35Å; F136-A165 HydrophobicContact CE2-CB 4Å; F136-R166 PolarHBondContact N-O 3.34Å; F136-I167 HydrophobicContact CB-CG1 4.42Å; F136-I167 HydrophobicContact CD2-CG1 4.48Å; F136-I167 WeakPolarHBondContact O-CA 3.36Å; F136-H168 PolarHBondContact O-N 2.87Å |
| 137 | S | 91.6 | Very high | 86.4 | Confident | 16 Ų | 16 | 41.5 Ų | 41.5 | 11% | 0.112 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.5 | 177 | 173.9 | 0 | 0 | 0 | 0 | 109.3 | A139 P144 M145 L146 | S137-A139 WeakPolarHBondContact OG-CB 3.46Å; S137-A139 PolarHBondContact OG-N 2.87Å; S137-A139 PolarHBondContact OG-O 2.98Å; S137-P144 VanDerWaalsContact CB-O 3.25Å; S137-P144 WeakPolarHBondContact CB-O 3.34Å; S137-P144 PolarHBondContact OG-O 2.86Å; S137-M145 WeakPolarHBondContact O-CA 3.32Å; S137-L146 PolarHBondContact O-N 3.12Å |
| 138 | T | 87.8 | Confident | 86.1 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.037 | 21% | 0.209 | C | C | . | . | trans | -104.9 | 8.9 | 164.8 | 63.4 | 0 | 0 | 0 | 0 | 111.3 | L151 I167 H168 E170 G172 | T138-L151 HydrophobicContact CG2-CD2 3.78Å; T138-I167 HydrophobicContact CG2-CG2 4.46Å; T138-H168 PolarHBondContact N-O 3.11Å; T138-H168 VanDerWaalsContact N-O 3.11Å; T138-H168 PolarHBondContact OG1-O 3.5Å; T138-E170 CarbonylContact C-O 3.54Å; T138-E170 VanDerWaalsContact C-O 3.26Å; T138-E170 WeakPolarHBondContact CB-O 3.23Å; T138-E170 PolarHBondContact OG1-N 2.94Å; T138-E170 PolarHBondContact OG1-O 3.42Å; T138-G172 PolarHBondContact O-N 3.2Å | ||
| 139 | A | 78.3 | Confident | 86 | Confident | 8 Ų | 8 | 37.1 Ų | 37.1 | 7% | 0.066 | 22% | 0.217 | C | C | . | . | trans | -98.4 | 136.7 | -176 | 0 | 0 | 0 | 0 | 0 | 112 | S137 E170 | S137-A139 WeakPolarHBondContact OG-CB 3.46Å; S137-A139 PolarHBondContact OG-N 2.87Å; S137-A139 PolarHBondContact OG-O 2.98Å; A139-E170 HydrophobicContact CB-CB 3.94Å | ||
| 140 | S | 67.3 | Low | 85.8 | Confident | 32 Ų | 32 | 37.4 Ų | 37.4 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | trans | 57.1 | 131.9 | 172.4 | -167 | 0 | 0 | 0 | 0 | 118.8 | S142 A143 M145 | S140-S142 VanDerWaalsContact C-N 3.3Å; S140-S142 PolarHBondContact O-N 2.91Å; S140-S142 PolarHBondContact OG-N 3.02Å; S140-S142 PolarHBondContact OG-OG 3.05Å; S140-A143 PolarHBondContact O-N 2.9Å; S140-M145 WeakPolarHBondContact O-CB 3.34Å | ||
| 141 | K | 56.5 | Low | 85.7 | Confident | 146 Ų | 146 | 37.2 Ų | 37.2 | 64% | 0.635 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.8 | 169.8 | -71.1 | -173.2 | 178.8 | 169.3 | 0 | 114.6 | A143 M145 D173 | K141-A143 VanDerWaalsContact C-N 3.26Å; K141-M145 HydrophobicContact CG-CE 3.92Å; K141-D173 WeakPolarHBondContact CE-OD1 3.38Å; K141-D173 IonicContact NZ-OD1 2.61Å; K141-D173 PolarHBondContact NZ-OD1 2.86Å |
| 142 | S | 52.4 | Low | 85.7 | Confident | 96 Ų | 96 | 40.7 Ų | 40.7 | 67% | 0.671 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -4.2 | 178.2 | 61.3 | 0 | 0 | 0 | 0 | 113 | S140 | S140-S142 VanDerWaalsContact C-N 3.3Å; S140-S142 PolarHBondContact O-N 2.91Å; S140-S142 PolarHBondContact OG-N 3.02Å; S140-S142 PolarHBondContact OG-OG 3.05Å |
| 143 | A | 65.2 | Low | 85.7 | Confident | 50 Ų | 50 | 44.4 Ų | 44.4 | 41% | 0.413 | 25% | 0.247 | S | C | . | . | S | Bend | trans | -127.2 | 173.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | S140 K141 M145 | S140-A143 PolarHBondContact O-N 2.9Å; K141-A143 VanDerWaalsContact C-N 3.26Å; A143-M145 PolarHBondContact O-N 2.57Å |
| 144 | P | 71.7 | Confident | 85.7 | Confident | 37 Ų | 37 | 44.4 Ų | 44.4 | 24% | 0.24 | 25% | 0.247 | C | C | . | . | trans | -63.6 | 123.9 | 176.9 | -17.4 | 30.1 | 0 | 0 | 0 | 111.6 | L110 P112 S137 | L110-P144 HydrophobicContact CD2-CG 4.21Å; P112-P144 HydrophobicContact CB-CB 3.4Å; P112-P144 HydrophobicContact CB-CG 3.62Å; P112-P144 WeakPolarHBondContact O-CB 3.46Å; S137-P144 VanDerWaalsContact CB-O 3.25Å; S137-P144 WeakPolarHBondContact CB-O 3.34Å; S137-P144 PolarHBondContact OG-O 2.86Å | ||
| 145 | M | 83.3 | Confident | 85.7 | Confident | 54 Ų | 54 | 44.4 Ų | 44.4 | 27% | 0.266 | 25% | 0.247 | S | C | . | . | trans | -140.9 | 126.2 | -176.4 | -175.4 | 178.4 | 80 | 0 | 0 | 109.7 | S137 S140 K141 A143 | S137-M145 WeakPolarHBondContact O-CA 3.32Å; S140-M145 WeakPolarHBondContact O-CB 3.34Å; K141-M145 HydrophobicContact CG-CE 3.92Å; A143-M145 PolarHBondContact O-N 2.57Å | ||
| 146 | L | 90.6 | Very high | 85.7 | Confident | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | trans | -95.6 | 140.5 | 172.5 | -61.5 | -171.3 | 0 | 0 | 0 | 110.7 | W114 F136 S137 E150 L151 A154 | W114-L146 HydrophobicContact CB-CD2 4.15Å; F136-L146 HydrophobicContact CD1-CD1 3.64Å; F136-L146 HydrophobicContact CE1-CD1 4.34Å; F136-L146 HydrophobicContact CG-CD1 4.44Å; S137-L146 PolarHBondContact O-N 3.12Å; L146-E150 WeakPolarHBondContact CA-OE2 3.46Å; L146-E150 HydrophobicContact CB-CB 4.06Å; L146-E150 HydrophobicContact CD1-CB 4.47Å; L146-E150 HydrophobicContact CD2-CB 4.19Å; L146-E150 HydrophobicContact CG-CB 4.47Å; L146-L151 HydrophobicContact CB-CB 4.31Å; L146-A154 HydrophobicContact CD1-CB 4.35Å | ||
| 147 | N | 91.1 | Very high | 85.9 | Confident | 80 Ų | 80 | 46.8 Ų | 46.8 | 43% | 0.428 | 26% | 0.257 | S | S | . | . | trans | -76.1 | 171.5 | 165.7 | 70.3 | 58.6 | 0 | 0 | 0 | 111.1 | C149 E150 L151 | N147-C149 VanDerWaalsContact C-N 3.33Å; N147-C149 PolarHBondContact O-N 2.89Å; N147-C149 WeakPolarHBondContact OD1-CB 3.49Å; N147-C149 PolarHBondContact OD1-N 3.18Å; N147-E150 PolarHBondContact N-OE2 3Å; N147-E150 WeakPolarHBondContact ND2-CG 3.39Å; N147-E150 PolarHBondContact ND2-OE2 2.76Å; N147-E150 PolarHBondContact O-N 2.82Å; N147-E150 PolarHBondContact OD1-N 3.23Å; N147-L151 VanDerWaalsContact O-CB 3.29Å; N147-L151 WeakPolarHBondContact O-CB 3.42Å; N147-L151 PolarHBondContact O-N 2.88Å | ||
| 148 | D | 92.3 | Very high | 86.2 | Confident | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.2 | -36.3 | -175.3 | -75.9 | -11.5 | 0 | 0 | 0 | 113.5 | Y152 R192 L196 | D148-Y152 VanDerWaalsContact O-CB 3.24Å; D148-Y152 WeakPolarHBondContact O-CB 3.48Å; D148-Y152 PolarHBondContact O-N 3.24Å; D148-R192 IonicContact OD1-CZ 2.81Å; D148-R192 IonicContact OD1-NH1 3.48Å; D148-R192 PolarHBondContact OD1-NH1 3.1Å; D148-R192 WeakPolarHBondContact OD2-CD 3.48Å; D148-L196 HydrophobicContact CB-CD1 4.22Å |
| 149 | C | 95 | Very high | 86.7 | Confident | 96 Ų | 96 | 49 Ų | 49 | 65% | 0.649 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -67.6 | -47.1 | 178.2 | -64.2 | 0 | 0 | 0 | 0 | 111 | N147 Y152 E153 | N147-C149 VanDerWaalsContact C-N 3.33Å; N147-C149 PolarHBondContact O-N 2.89Å; N147-C149 WeakPolarHBondContact OD1-CB 3.49Å; N147-C149 PolarHBondContact OD1-N 3.18Å; C149-Y152 PolarHBondContact O-N 2.88Å; C149-E153 WeakPolarHBondContact O-CG 3.37Å; C149-E153 PolarHBondContact O-N 2.81Å |
| 150 | E | 95.6 | Very high | 87.6 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 176.4 | -69.1 | 172.6 | 146.2 | 0 | 0 | 111.5 | W114 L146 N147 Y152 E153 A154 | W114-E150 HydrophobicContact CB-CB 3.75Å; W114-E150 HydrophobicContact CB-CG 3.95Å; W114-E150 HydrophobicContact CG-CB 4.29Å; L146-E150 WeakPolarHBondContact CA-OE2 3.46Å; L146-E150 HydrophobicContact CB-CB 4.06Å; L146-E150 HydrophobicContact CD1-CB 4.47Å; L146-E150 HydrophobicContact CD2-CB 4.19Å; L146-E150 HydrophobicContact CG-CB 4.47Å; N147-E150 PolarHBondContact N-OE2 3Å; N147-E150 WeakPolarHBondContact ND2-CG 3.39Å; N147-E150 PolarHBondContact ND2-OE2 2.76Å; N147-E150 PolarHBondContact O-N 2.82Å; N147-E150 PolarHBondContact OD1-N 3.23Å; E150-Y152 VanDerWaalsContact C-N 3.35Å; E150-Y152 PolarHBondContact O-N 3.1Å; E150-E153 PolarHBondContact O-N 2.85Å; E150-A154 WeakPolarHBondContact O-CB 3.42Å; E150-A154 PolarHBondContact O-N 3.46Å |
| 151 | L | 96.1 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 177.8 | -178.5 | 60.2 | 0 | 0 | 0 | 111.3 | F136 T138 L146 N147 A154 L155 I167 L196 | F136-L151 HydrophobicContact CB-CD1 3.97Å; F136-L151 HydrophobicContact CG-CD1 4.17Å; T138-L151 HydrophobicContact CG2-CD2 3.78Å; L146-L151 HydrophobicContact CB-CB 4.31Å; N147-L151 VanDerWaalsContact O-CB 3.29Å; N147-L151 WeakPolarHBondContact O-CB 3.42Å; N147-L151 PolarHBondContact O-N 2.88Å; L151-A154 PolarHBondContact O-N 3.17Å; L151-L155 HydrophobicContact CD1-CD1 4.38Å; L151-L155 HydrophobicContact CD1-CG 4.31Å; L151-L155 HydrophobicContact CG-CD1 4.07Å; L151-L155 HydrophobicContact CG-CG 4.46Å; L151-L155 WeakPolarHBondContact O-CB 3.36Å; L151-L155 WeakPolarHBondContact O-CG 3.47Å; L151-L155 PolarHBondContact O-N 3.34Å; L151-I167 HydrophobicContact CD1-CD1 3.84Å; L151-I167 HydrophobicContact CD1-CG1 4.42Å; L151-I167 HydrophobicContact CD2-CD1 4.14Å; L151-I167 HydrophobicContact CG-CD1 4.39Å; L151-L196 HydrophobicContact CD2-CD1 3.77Å; L151-L196 HydrophobicContact CG-CD1 4.27Å |
| 152 | Y | 97.6 | Very high | 91.1 | Very high | 75 Ų | 75 | 47.8 Ų | 47.8 | 29% | 0.294 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 176.1 | 178.1 | -114.4 | 0 | 0 | 0 | 112.4 | D148 C149 E150 L155 K156 L199 A200 | D148-Y152 VanDerWaalsContact O-CB 3.24Å; D148-Y152 WeakPolarHBondContact O-CB 3.48Å; D148-Y152 PolarHBondContact O-N 3.24Å; C149-Y152 PolarHBondContact O-N 2.88Å; E150-Y152 VanDerWaalsContact C-N 3.35Å; E150-Y152 PolarHBondContact O-N 3.1Å; Y152-L155 PolarHBondContact O-N 3.01Å; Y152-K156 HydrophobicContact CE1-CD 3.94Å; Y152-K156 VanDerWaalsContact CE1-CE 3.47Å; Y152-K156 HydrophobicContact CE2-CD 4.47Å; Y152-K156 HydrophobicContact CE2-CG 4.42Å; Y152-K156 PolarHBondContact O-N 3.39Å; Y152-L199 HydrophobicContact CD2-CB 4.43Å; Y152-L199 HydrophobicContact CE2-CB 3.78Å; Y152-A200 HydrophobicContact CD2-CB 4.15Å; Y152-A200 HydrophobicContact CE2-CB 3.99Å |
| 153 | E | 98.2 | Very high | 93.3 | Very high | 83 Ų | 83 | 43.2 Ų | 43.2 | 39% | 0.388 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 174.9 | -69.3 | -57.6 | 143.7 | 0 | 0 | 112.1 | W114 C149 E150 L155 K156 H157 | W114-E153 HydrophobicContact CZ2-CB 4.19Å; C149-E153 WeakPolarHBondContact O-CG 3.37Å; C149-E153 PolarHBondContact O-N 2.81Å; E150-E153 PolarHBondContact O-N 2.85Å; E153-L155 VanDerWaalsContact C-N 3.35Å; E153-L155 PolarHBondContact O-N 3.37Å; E153-K156 VanDerWaalsContact CD-CE 3.41Å; E153-K156 PolarHBondContact O-N 3.18Å; E153-K156 VanDerWaalsContact OE1-CE 3.31Å; E153-K156 WeakPolarHBondContact OE1-CE 3.5Å; E153-K156 IonicContact OE1-NZ 3.77Å; E153-K156 PolarHBondContact OE1-NZ 3.18Å; E153-K156 WeakPolarHBondContact OE2-CE 3.44Å; E153-K156 IonicContact OE2-NZ 2.76Å; E153-K156 PolarHBondContact OE2-NZ 3.06Å; E153-H157 PolarHBondContact O-N 2.95Å |
| 154 | A | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.5 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | W114 F136 L146 E150 L151 H157 C158 | W114-A154 HydrophobicContact CD2-CB 4.04Å; W114-A154 HydrophobicContact CE3-CB 3.61Å; W114-A154 HydrophobicContact CH2-CB 4.21Å; W114-A154 HydrophobicContact CZ3-CB 3.7Å; F136-A154 HydrophobicContact CD1-CB 4.23Å; F136-A154 HydrophobicContact CE1-CB 3.62Å; F136-A154 HydrophobicContact CZ-CB 3.91Å; L146-A154 HydrophobicContact CD1-CB 4.35Å; E150-A154 WeakPolarHBondContact O-CB 3.42Å; E150-A154 PolarHBondContact O-N 3.46Å; L151-A154 PolarHBondContact O-N 3.17Å; A154-H157 PolarHBondContact O-N 3.25Å; A154-C158 PolarHBondContact O-N 3.14Å |
| 155 | L | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 176.2 | -73.5 | 169.4 | 0 | 0 | 0 | 112.1 | L151 Y152 E153 H157 C158 R159 A165 I167 L196 A200 C202 | L151-L155 HydrophobicContact CD1-CD1 4.38Å; L151-L155 HydrophobicContact CD1-CG 4.31Å; L151-L155 HydrophobicContact CG-CD1 4.07Å; L151-L155 HydrophobicContact CG-CG 4.46Å; L151-L155 WeakPolarHBondContact O-CB 3.36Å; L151-L155 WeakPolarHBondContact O-CG 3.47Å; L151-L155 PolarHBondContact O-N 3.34Å; Y152-L155 PolarHBondContact O-N 3.01Å; E153-L155 VanDerWaalsContact C-N 3.35Å; E153-L155 PolarHBondContact O-N 3.37Å; L155-H157 VanDerWaalsContact C-N 3.27Å; L155-H157 PolarHBondContact O-N 3.17Å; L155-C158 PolarHBondContact O-N 3.49Å; L155-R159 PolarHBondContact O-N 3.18Å; L155-A165 HydrophobicContact CD2-CB 3.4Å; L155-I167 HydrophobicContact CD2-CD1 4.25Å; L155-L196 HydrophobicContact CD1-CB 3.88Å; L155-A200 HydrophobicContact CB-CB 3.66Å; L155-C202 HydrophobicContact CB-CB 4.11Å; L155-C202 HydrophobicContact CD2-CB 4.22Å; L155-C202 VanDerWaalsContact O-CB 3.28Å; L155-C202 WeakPolarHBondContact O-CB 3.5Å; L155-C202 PolarHBondContact O-SG 3.41Å |
| 156 | K | 98.1 | Very high | 96.8 | Very high | 59 Ų | 59 | 36.9 Ų | 36.9 | 26% | 0.257 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -59.7 | -40.9 | 173.2 | -75.6 | -172.6 | -69.5 | 164.3 | 0 | 111.6 | Y152 E153 R159 Q160 A200 | Y152-K156 HydrophobicContact CE1-CD 3.94Å; Y152-K156 VanDerWaalsContact CE1-CE 3.47Å; Y152-K156 HydrophobicContact CE2-CD 4.47Å; Y152-K156 HydrophobicContact CE2-CG 4.42Å; Y152-K156 PolarHBondContact O-N 3.39Å; E153-K156 VanDerWaalsContact CD-CE 3.41Å; E153-K156 PolarHBondContact O-N 3.18Å; E153-K156 VanDerWaalsContact OE1-CE 3.31Å; E153-K156 WeakPolarHBondContact OE1-CE 3.5Å; E153-K156 IonicContact OE1-NZ 3.77Å; E153-K156 PolarHBondContact OE1-NZ 3.18Å; E153-K156 WeakPolarHBondContact OE2-CE 3.44Å; E153-K156 IonicContact OE2-NZ 2.76Å; E153-K156 PolarHBondContact OE2-NZ 3.06Å; K156-R159 WeakPolarHBondContact O-CB 3.45Å; K156-R159 PolarHBondContact O-N 3.14Å; K156-Q160 WeakPolarHBondContact O-CG 3.46Å; K156-Q160 PolarHBondContact O-N 3.21Å; K156-A200 HydrophobicContact CG-CB 3.96Å |
| 157 | H | 98.5 | Very high | 97 | Very high | 13 Ų | 13 | 36.6 Ų | 36.6 | 6% | 0.06 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -67.4 | -42.7 | 177.7 | -164.8 | 56.6 | 0 | 0 | 0 | 112.3 | W114 K119 E153 A154 L155 R159 Q160 L161 | W114-H157 HydrophobicContact CH2-CB 3.56Å; W114-H157 AromaticContact CH2-CD2 3.79Å; W114-H157 AromaticContact CH2-CG 3.85Å; W114-H157 HydrophobicContact CZ2-CB 4.1Å; K119-H157 WeakPolarHBondContact CG-CE1 3.23Å; K119-H157 VanDerWaalsContact CG-NE2 3.34Å; K119-H157 WeakPolarHBondContact CG-NE2 3.49Å; K119-H157 PolarHBondContact O-NE2 2.63Å; E153-H157 PolarHBondContact O-N 2.95Å; A154-H157 PolarHBondContact O-N 3.25Å; L155-H157 VanDerWaalsContact C-N 3.27Å; L155-H157 PolarHBondContact O-N 3.17Å; H157-R159 VanDerWaalsContact C-N 3.29Å; H157-R159 PolarHBondContact O-N 2.92Å; H157-Q160 PolarHBondContact O-N 3.25Å; H157-Q160 VanDerWaalsContact O-N 3.13Å; H157-L161 WeakPolarHBondContact NE2-CD1 3.28Å; H157-L161 WeakPolarHBondContact O-CG 3.37Å; H157-L161 PolarHBondContact O-N 2.92Å |
| 158 | C | 98.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -55.7 | -43.8 | 172.1 | -78.5 | 0 | 0 | 0 | 0 | 111.9 | A154 L155 L161 G162 A163 A165 | A154-C158 PolarHBondContact O-N 3.14Å; L155-C158 PolarHBondContact O-N 3.49Å; C158-L161 PolarHBondContact O-N 3.42Å; C158-G162 PolarHBondContact O-N 3.44Å; C158-G162 VanDerWaalsContact O-N 3.08Å; C158-A163 PolarHBondContact O-N 3.47Å; C158-A165 HydrophobicContact CB-CB 4.3Å |
| 159 | R | 97.8 | Very high | 96.8 | Very high | 70 Ų | 70 | 30.9 Ų | 30.9 | 26% | 0.264 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -58.7 | -48.3 | 174.5 | 177.2 | -173.3 | 177.5 | 166.4 | 0.3 | 111.8 | L155 K156 H157 L161 G162 A200 G201 C202 D440 | L155-R159 PolarHBondContact O-N 3.18Å; K156-R159 WeakPolarHBondContact O-CB 3.45Å; K156-R159 PolarHBondContact O-N 3.14Å; H157-R159 VanDerWaalsContact C-N 3.29Å; H157-R159 PolarHBondContact O-N 2.92Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 2.85Å; R159-G162 PolarHBondContact O-N 3Å; R159-G162 VanDerWaalsContact O-N 3.15Å; R159-A200 WeakPolarHBondContact CD-O 3.36Å; R159-A200 PolarHBondContact NH1-O 2.93Å; R159-G201 VanDerWaalsContact CD-O 3.28Å; R159-G201 WeakPolarHBondContact CD-O 3.27Å; R159-C202 HydrophobicContact CB-CB 4.08Å; R159-D440 IonicContact CZ-OD1 2.77Å; R159-D440 IonicContact CZ-OD2 3.08Å; R159-D440 IonicContact NE-OD2 3.97Å; R159-D440 IonicContact NH2-OD1 3.12Å; R159-D440 PolarHBondContact NH2-OD1 3.43Å; R159-D440 IonicContact NH2-OD2 3.74Å; R159-D440 PolarHBondContact NH2-OD2 3.48Å |
| 160 | Q | 97.5 | Very high | 96.3 | Very high | 131 Ų | 131 | 26.4 Ų | 26.4 | 61% | 0.612 | 12% | 0.12 | S | C | * | . | H | α-helix | trans | -60.7 | -39.1 | -179.5 | -72.6 | 171.8 | 1 | 0 | 0 | 112.3 | K156 H157 G162 | K156-Q160 WeakPolarHBondContact O-CG 3.46Å; K156-Q160 PolarHBondContact O-N 3.21Å; H157-Q160 PolarHBondContact O-N 3.25Å; H157-Q160 VanDerWaalsContact O-N 3.13Å; Q160-G162 VanDerWaalsContact C-N 3.3Å |
| 161 | L | 98.4 | Very high | 95.6 | Very high | 28 Ų | 28 | 26.1 Ų | 26.1 | 15% | 0.147 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -78.5 | -11.6 | 179 | -64.7 | 179.9 | 0 | 0 | 0 | 113.7 | M122 A123 V126 H157 C158 R159 A163 P427 | M122-L161 HydrophobicContact CB-CD1 3.89Å; A123-L161 HydrophobicContact CB-CD1 4.49Å; A123-L161 HydrophobicContact CB-CD2 3.83Å; V126-L161 HydrophobicContact CG1-CB 4.32Å; V126-L161 HydrophobicContact CG2-CB 4.12Å; V126-L161 HydrophobicContact CG2-CD1 4Å; H157-L161 WeakPolarHBondContact NE2-CD1 3.28Å; H157-L161 WeakPolarHBondContact O-CG 3.37Å; H157-L161 PolarHBondContact O-N 2.92Å; C158-L161 PolarHBondContact O-N 3.42Å; R159-L161 VanDerWaalsContact C-N 3.29Å; R159-L161 PolarHBondContact O-N 2.85Å; L161-A163 VanDerWaalsContact C-N 3.28Å; L161-A163 HydrophobicContact CB-CB 4.33Å; L161-P427 VanDerWaalsContact O-CB 3.23Å; L161-P427 WeakPolarHBondContact O-CB 3.46Å |
| 162 | G | 98.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 24.8 | -171 | 0 | 0 | 0 | 0 | 0 | 113.2 | C158 R159 Q160 F428 F433 | C158-G162 PolarHBondContact O-N 3.44Å; C158-G162 VanDerWaalsContact O-N 3.08Å; R159-G162 PolarHBondContact O-N 3Å; R159-G162 VanDerWaalsContact O-N 3.15Å; Q160-G162 VanDerWaalsContact C-N 3.3Å; G162-F428 VanDerWaalsContact CA-CE1 3.5Å; G162-F428 PolarHBondContact O-N 3.46Å; G162-F433 VanDerWaalsContact C-CE2 3.45Å; G162-F433 VanDerWaalsContact CA-CZ 3.48Å; G162-F433 VanDerWaalsContact O-CE2 3.27Å; G162-F433 WeakPolarHBondContact O-CE2 3.31Å |
| 163 | A | 98.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | P | Polyproline II helix | trans | -99.2 | 144.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | V126 N132 F134 C158 L161 | V126-A163 HydrophobicContact CG2-CB 4.17Å; N132-A163 CarbonylContact O-C 3.51Å; N132-A163 VanDerWaalsContact O-CA 3.24Å; N132-A163 WeakPolarHBondContact O-CA 3.44Å; N132-A163 WeakPolarHBondContact O-CB 2.75Å; F134-A163 HydrophobicContact CD2-CB 3.8Å; F134-A163 HydrophobicContact CE2-CB 3.78Å; C158-A163 PolarHBondContact O-N 3.47Å; L161-A163 VanDerWaalsContact C-N 3.28Å; L161-A163 HydrophobicContact CB-CB 4.33Å |
| 164 | L | 98.5 | Very high | 92.6 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 3% | 0.026 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 123.3 | 175 | -179.4 | 66.7 | 0 | 0 | 0 | 110.7 | N132 S133 F134 R166 P203 N205 L345 | N132-L164 PolarHBondContact O-N 3.27Å; S133-L164 VanDerWaalsContact CA-O 3.29Å; S133-L164 WeakPolarHBondContact CA-O 3.45Å; F134-L164 PolarHBondContact N-O 3.09Å; L164-R166 HydrophobicContact CD2-CG 4.36Å; L164-R166 HydrophobicContact CG-CG 4.39Å; L164-P203 HydrophobicContact CD1-CB 4.23Å; L164-N205 HydrophobicContact CD1-CB 4.02Å; L164-N205 HydrophobicContact CD2-CB 3.96Å; L164-N205 HydrophobicContact CG-CB 4.09Å; L164-L345 HydrophobicContact CD1-CD1 4.06Å; L164-L345 HydrophobicContact CD2-CD1 3.83Å; L164-L345 HydrophobicContact CD2-CD2 3.96Å; L164-L345 HydrophobicContact CD2-CG 3.69Å |
| 165 | A | 98.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 126.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | F136 L155 C158 P203 N205 | F136-A165 HydrophobicContact CD2-CB 4.35Å; F136-A165 HydrophobicContact CE2-CB 4Å; L155-A165 HydrophobicContact CD2-CB 3.4Å; C158-A165 HydrophobicContact CB-CB 4.3Å; A165-P203 PolarHBondContact N-O 2.98Å; A165-N205 PolarHBondContact O-N 2.79Å |
| 166 | R | 97.6 | Very high | 89.8 | Confident | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.011 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.3 | 176.4 | -58.6 | 170.9 | 67.8 | 72.6 | -2.9 | 108.5 | S42 H43 F134 K135 F136 L164 N205 E231 | S42-R166 PolarHBondContact O-NH2 3.2Å; H43-R166 PolarHBondContact ND1-NH2 2.98Å; F134-R166 PolarHBondContact O-N 3.42Å; K135-R166 CarbonylContact C-O 3.44Å; K135-R166 VanDerWaalsContact CA-O 3.29Å; K135-R166 WeakPolarHBondContact CA-O 3.07Å; K135-R166 HydrophobicContact CB-CB 4.46Å; F136-R166 PolarHBondContact N-O 3.34Å; L164-R166 HydrophobicContact CD2-CG 4.36Å; L164-R166 HydrophobicContact CG-CG 4.39Å; R166-N205 CarbonylContact C-O 3.56Å; R166-N205 VanDerWaalsContact CA-O 3.29Å; R166-N205 WeakPolarHBondContact CA-O 3.39Å; R166-N205 HydrophobicContact CG-CB 4.1Å; R166-N205 PolarHBondContact NH1-OD1 2.84Å; R166-E231 IonicContact CZ-OE1 3.74Å; R166-E231 IonicContact CZ-OE2 2.92Å; R166-E231 IonicContact NH1-OE1 3.85Å; R166-E231 PolarHBondContact NH1-OE1 3.26Å; R166-E231 IonicContact NH1-OE2 2.77Å; R166-E231 IonicContact NH2-OE1 2.75Å; R166-E231 PolarHBondContact NH2-OE1 2.83Å; R166-E231 IonicContact NH2-OE2 3.99Å; R166-E231 PolarHBondContact NH2-OE2 3.22Å |
| 167 | I | 94.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 118.1 | -175 | -57.2 | -179.1 | 0 | 0 | 0 | 111.7 | F136 T138 L151 L155 A169 A193 L204 N205 L206 P207 | F136-I167 HydrophobicContact CB-CG1 4.42Å; F136-I167 HydrophobicContact CD2-CG1 4.48Å; F136-I167 WeakPolarHBondContact O-CA 3.36Å; T138-I167 HydrophobicContact CG2-CG2 4.46Å; L151-I167 HydrophobicContact CD1-CD1 3.84Å; L151-I167 HydrophobicContact CD1-CG1 4.42Å; L151-I167 HydrophobicContact CD2-CD1 4.14Å; L151-I167 HydrophobicContact CG-CD1 4.39Å; L155-I167 HydrophobicContact CD2-CD1 4.25Å; I167-A169 HydrophobicContact CG2-CB 4.16Å; I167-A169 PolarHBondContact O-N 3.35Å; I167-A193 HydrophobicContact CD1-CB 4.04Å; I167-A193 HydrophobicContact CG2-CB 4.28Å; I167-L204 HydrophobicContact CB-CD1 4.05Å; I167-L204 HydrophobicContact CD1-CD1 3.46Å; I167-L204 VanDerWaalsContact CD1-CD1 3.46Å; I167-L204 HydrophobicContact CG1-CD1 3.55Å; I167-N205 PolarHBondContact N-O 3.28Å; I167-L206 HydrophobicContact CB-CD2 4.15Å; I167-P207 WeakPolarHBondContact O-CD 3.33Å |
| 168 | H | 91.9 | Very high | 86.3 | Confident | 14 Ų | 14 | 36.5 Ų | 36.5 | 7% | 0.065 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 101.4 | 161.5 | -171.4 | 116.7 | 0 | 0 | 0 | 109 | F136 T138 E170 F208 S258 | F136-H168 PolarHBondContact O-N 2.87Å; T138-H168 PolarHBondContact N-O 3.11Å; T138-H168 VanDerWaalsContact N-O 3.11Å; T138-H168 PolarHBondContact OG1-O 3.5Å; H168-E170 IonicContact CD2-OE2 3.09Å; H168-E170 IonicContact CE1-OE2 2.73Å; H168-E170 IonicContact NE2-OE2 2.83Å; H168-E170 PolarHBondContact NE2-OE2 2.91Å; H168-F208 AromaticContact ND1-CD2 4Å; H168-S258 PolarHBondContact CE1-O 3.22Å; H168-S258 PolarHBondContact CE1-OG 2.72Å; H168-S258 PolarHBondContact NE2-OG 2.93Å; H168-S258 VanDerWaalsContact NE2-OG 3.13Å |
| 169 | A | 87.5 | Confident | 84.4 | Confident | 12 Ų | 12 | 40.6 Ų | 40.6 | 10% | 0.099 | 22% | 0.219 | C | C | . | . | trans | -100.9 | 88.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I167 C189 A193 L206 | I167-A169 HydrophobicContact CG2-CB 4.16Å; I167-A169 PolarHBondContact O-N 3.35Å; A169-C189 HydrophobicContact CB-CB 4.17Å; A169-C189 WeakPolarHBondContact O-CB 3.4Å; A169-A193 HydrophobicContact CB-CB 4.45Å; A169-L206 HydrophobicContact CB-CD2 4.19Å | ||
| 170 | E | 83.6 | Confident | 82.4 | Confident | 3 Ų | 3 | 46.9 Ų | 46.9 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | trans | -130.6 | 167.5 | 166.7 | -58.5 | -173.8 | 106.4 | 0 | 0 | 110.1 | T138 A139 H168 G172 I175 C189 S258 P259 | T138-E170 CarbonylContact C-O 3.54Å; T138-E170 VanDerWaalsContact C-O 3.26Å; T138-E170 WeakPolarHBondContact CB-O 3.23Å; T138-E170 PolarHBondContact OG1-N 2.94Å; T138-E170 PolarHBondContact OG1-O 3.42Å; A139-E170 HydrophobicContact CB-CB 3.94Å; H168-E170 IonicContact CD2-OE2 3.09Å; H168-E170 IonicContact CE1-OE2 2.73Å; H168-E170 IonicContact NE2-OE2 2.83Å; H168-E170 PolarHBondContact NE2-OE2 2.91Å; E170-G172 PolarHBondContact O-N 3.28Å; E170-I175 HydrophobicContact CB-CD1 4.36Å; E170-C189 PolarHBondContact O-SG 2.91Å; E170-S258 PolarHBondContact OE2-OG 3.27Å; E170-P259 HydrophobicContact CG-CB 4.42Å; E170-P259 HydrophobicContact CG-CG 4.07Å; E170-P259 WeakPolarHBondContact OE1-CA 3.37Å; E170-P259 VanDerWaalsContact OE1-CB 3.31Å; E170-P259 WeakPolarHBondContact OE1-CB 3.34Å | ||
| 171 | H | 81.5 | Confident | 80.8 | Confident | 50 Ų | 50 | 46.8 Ų | 46.8 | 23% | 0.231 | 25% | 0.247 | C | C | . | . | trans | -95.8 | 94.2 | -177.6 | -161 | -55.4 | 0 | 0 | 0 | 110.6 | D173 L174 I175 L185 C189 | H171-D173 VanDerWaalsContact C-N 3.26Å; H171-D173 IonicContact CE1-OD2 2.78Å; H171-D173 PolarHBondContact O-N 3.32Å; H171-D173 VanDerWaalsContact O-N 3.16Å; H171-L174 HydrophobicContact CB-CB 4.31Å; H171-L174 PolarHBondContact ND1-N 2.88Å; H171-L174 PolarHBondContact O-N 3.15Å; H171-I175 WeakPolarHBondContact O-CB 3.29Å; H171-I175 PolarHBondContact O-N 3.42Å; H171-L185 HydrophobicContact CB-CD1 3.27Å; H171-L185 HydrophobicContact CB-CD2 3.6Å; H171-L185 HydrophobicContact CB-CG 3.33Å; H171-C189 VanDerWaalsContact CA-SG 3.52Å; H171-C189 VanDerWaalsContact CB-SG 3.5Å; H171-C189 PolarHBondContact N-SG 3.2Å | ||
| 172 | G | 77 | Confident | 79.3 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.1 | -29.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116 | T138 E170 | T138-G172 PolarHBondContact O-N 3.2Å; E170-G172 PolarHBondContact O-N 3.28Å |
| 173 | D | 75 | Confident | 78.1 | Confident | 63 Ų | 63 | 50.4 Ų | 50.4 | 34% | 0.337 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73.6 | -32.4 | 175.2 | -65.3 | -66.2 | 0 | 0 | 0 | 114 | K141 H171 S176 | K141-D173 WeakPolarHBondContact CE-OD1 3.38Å; K141-D173 IonicContact NZ-OD1 2.61Å; K141-D173 PolarHBondContact NZ-OD1 2.86Å; H171-D173 VanDerWaalsContact C-N 3.26Å; H171-D173 IonicContact CE1-OD2 2.78Å; H171-D173 PolarHBondContact O-N 3.32Å; H171-D173 VanDerWaalsContact O-N 3.16Å; D173-S176 PolarHBondContact O-OG 3.06Å |
| 174 | L | 76.4 | Confident | 77 | Confident | 63 Ų | 63 | 55 Ų | 55 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -99.6 | -21.7 | -172.9 | -71.2 | 178.3 | 0 | 0 | 0 | 112 | H171 S176 M177 V178 L185 | H171-L174 HydrophobicContact CB-CB 4.31Å; H171-L174 PolarHBondContact ND1-N 2.88Å; H171-L174 PolarHBondContact O-N 3.15Å; L174-S176 PolarHBondContact O-N 2.98Å; L174-M177 CarbonylContact O-C 3.59Å; L174-M177 PolarHBondContact O-N 3.25Å; L174-V178 HydrophobicContact CD2-CG2 4.29Å; L174-V178 PolarHBondContact O-N 3.47Å; L174-L185 HydrophobicContact CB-CD1 4.13Å; L174-L185 HydrophobicContact CB-CD2 3.73Å; L174-L185 HydrophobicContact CD1-CD1 3.75Å |
| 175 | I | 73.1 | Confident | 75.9 | Confident | 42 Ų | 42 | 55.8 Ų | 55.8 | 22% | 0.215 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.4 | -29.5 | 177.4 | -156.6 | 166.8 | 0 | 0 | 0 | 112 | E170 H171 M177 | E170-I175 HydrophobicContact CB-CD1 4.36Å; H171-I175 WeakPolarHBondContact O-CB 3.29Å; H171-I175 PolarHBondContact O-N 3.42Å; I175-M177 VanDerWaalsContact C-N 3.34Å |
| 176 | S | 64.6 | Low | 74.7 | Confident | 91 Ų | 91 | 56.1 Ų | 56.1 | 64% | 0.636 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -17.3 | 174.4 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | D173 L174 | D173-S176 PolarHBondContact O-OG 3.06Å; L174-S176 PolarHBondContact O-N 2.98Å |
| 177 | M | 61.7 | Low | 73.9 | Confident | 139 Ų | 139 | 58.4 Ų | 58.4 | 69% | 0.685 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.7 | -32.8 | -172.8 | -60.5 | -172.4 | -166.3 | 0 | 0 | 113.2 | L174 I175 | L174-M177 CarbonylContact O-C 3.59Å; L174-M177 PolarHBondContact O-N 3.25Å; I175-M177 VanDerWaalsContact C-N 3.34Å |
| 178 | V | 61 | Low | 73.3 | Confident | 49 Ų | 49 | 62.1 Ų | 62.1 | 30% | 0.297 | 32% | 0.324 | S | S | . | . | trans | -129.7 | 83.1 | -166.6 | -167.4 | 0 | 0 | 0 | 0 | 110.2 | L174 K180 E181 | L174-V178 HydrophobicContact CD2-CG2 4.29Å; L174-V178 PolarHBondContact O-N 3.47Å; V178-K180 VanDerWaalsContact C-N 3.26Å; V178-K180 PolarHBondContact O-N 2.96Å; V178-E181 HydrophobicContact CG1-CB 3.88Å; V178-E181 HydrophobicContact CG1-CG 4.13Å | ||
| 179 | C | 58.6 | Low | 73.1 | Confident | 86 Ų | 86 | 61.6 Ų | 61.6 | 58% | 0.581 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -69.8 | -19 | 174 | -75.6 | 0 | 0 | 0 | 0 | 113.8 | ||
| 180 | K | 57 | Low | 73.1 | Confident | 202 Ų | 202 | 61.1 Ų | 61.1 | 88% | 0.878 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -90.4 | -26.9 | -170 | -70.9 | -173.4 | 178.7 | -179.3 | 0 | 115.3 | V178 | V178-K180 VanDerWaalsContact C-N 3.26Å; V178-K180 PolarHBondContact O-N 2.96Å |
| 181 | E | 62.4 | Low | 73.4 | Confident | 128 Ų | 128 | 63.1 Ų | 63.1 | 60% | 0.598 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -107.5 | 21.4 | -175.1 | -61.3 | -170 | 169.4 | 0 | 0 | 113.4 | V178 E183 L184 L185 | V178-E181 HydrophobicContact CG1-CB 3.88Å; V178-E181 HydrophobicContact CG1-CG 4.13Å; E181-E183 VanDerWaalsContact C-N 3.26Å; E181-E183 PolarHBondContact O-N 2.94Å; E181-E183 VanDerWaalsContact O-N 3.15Å; E181-L184 PolarHBondContact O-N 3.09Å; E181-L185 PolarHBondContact O-N 3.02Å |
| 182 | E | 68.5 | Low | 73.9 | Confident | 39 Ų | 39 | 63.7 Ų | 63.7 | 18% | 0.182 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.4 | -31.8 | -170 | -170 | -167.4 | -147.6 | 0 | 0 | 113.8 | L185 T186 P260 R262 | E182-L185 WeakPolarHBondContact O-CB 3.41Å; E182-L185 PolarHBondContact O-N 3.31Å; E182-T186 PolarHBondContact O-N 3.06Å; E182-T186 PolarHBondContact O-OG1 3.44Å; E182-T186 VanDerWaalsContact O-OG1 3.05Å; E182-P260 WeakPolarHBondContact OE1-CD 3.43Å; E182-P260 WeakPolarHBondContact OE1-CG 3.21Å; E182-P260 WeakPolarHBondContact OE2-CG 3.23Å; E182-R262 IonicContact OE2-CZ 3.34Å; E182-R262 IonicContact OE2-NH1 3.29Å; E182-R262 PolarHBondContact OE2-NH1 3.3Å; E182-R262 IonicContact OE2-NH2 3.99Å |
| 183 | E | 71.7 | Confident | 74.6 | Confident | 66 Ų | 66 | 63.6 Ų | 63.6 | 31% | 0.308 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.4 | -44.5 | 179.7 | -174.6 | 171 | -166.7 | 0 | 0 | 112.6 | E181 L185 F187 N211 H213 | E181-E183 VanDerWaalsContact C-N 3.26Å; E181-E183 PolarHBondContact O-N 2.94Å; E181-E183 VanDerWaalsContact O-N 3.15Å; E183-L185 PolarHBondContact O-N 3.39Å; E183-F187 WeakPolarHBondContact O-CB 3.48Å; E183-F187 PolarHBondContact O-N 3.41Å; E183-F187 VanDerWaalsContact O-N 3.11Å; E183-N211 HydrophobicContact CG-CB 4.42Å; E183-H213 IonicContact OE1-CD2 3.66Å; E183-H213 PolarHBondContact OE1-CD2 2.92Å; E183-H213 VanDerWaalsContact OE1-CD2 3.29Å |
| 184 | L | 75 | Confident | 75.6 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 51% | 0.508 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 174.3 | 177.7 | 62.5 | 0 | 0 | 0 | 110.6 | E181 F187 N188 | E181-L184 PolarHBondContact O-N 3.09Å; L184-F187 HydrophobicContact CD1-CD1 4.42Å; L184-F187 WeakPolarHBondContact O-CB 3.42Å; L184-F187 PolarHBondContact O-N 3.3Å; L184-N188 PolarHBondContact O-N 2.93Å; L184-N188 PolarHBondContact O-ND2 2.84Å; L184-N188 VanDerWaalsContact O-ND2 3.15Å |
| 185 | L | 75.4 | Confident | 76.4 | Confident | 21 Ų | 21 | 60.3 Ų | 60.3 | 11% | 0.11 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.3 | -49.1 | -179 | -167.1 | 61.2 | 0 | 0 | 0 | 112.2 | H171 L174 E181 E182 E183 F187 N188 C189 | H171-L185 HydrophobicContact CB-CD1 3.27Å; H171-L185 HydrophobicContact CB-CD2 3.6Å; H171-L185 HydrophobicContact CB-CG 3.33Å; L174-L185 HydrophobicContact CB-CD1 4.13Å; L174-L185 HydrophobicContact CB-CD2 3.73Å; L174-L185 HydrophobicContact CD1-CD1 3.75Å; E181-L185 PolarHBondContact O-N 3.02Å; E182-L185 WeakPolarHBondContact O-CB 3.41Å; E182-L185 PolarHBondContact O-N 3.31Å; E183-L185 PolarHBondContact O-N 3.39Å; L185-F187 VanDerWaalsContact C-N 3.26Å; L185-F187 PolarHBondContact O-N 2.93Å; L185-N188 PolarHBondContact O-N 3.32Å; L185-C189 PolarHBondContact O-N 2.77Å |
| 186 | T | 73.9 | Confident | 77.5 | Confident | 8 Ų | 8 | 59.4 Ų | 59.4 | 5% | 0.049 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -59.2 | -40.1 | 174.7 | -51.6 | 0 | 0 | 0 | 0 | 110.9 | E182 C189 A190 V214 R262 | E182-T186 PolarHBondContact O-N 3.06Å; E182-T186 PolarHBondContact O-OG1 3.44Å; E182-T186 VanDerWaalsContact O-OG1 3.05Å; T186-C189 PolarHBondContact O-N 2.73Å; T186-A190 PolarHBondContact O-N 3.41Å; T186-V214 HydrophobicContact CG2-CG2 4.07Å; T186-R262 PolarHBondContact OG1-NH2 3Å |
| 187 | F | 80.4 | Confident | 79 | Confident | 51 Ų | 51 | 55 Ų | 55 | 22% | 0.224 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.3 | -50.5 | 174.6 | 168.5 | -94.5 | 0 | 0 | 0 | 112.6 | E183 L184 L185 C189 A190 L191 H213 V214 S217 | E183-F187 WeakPolarHBondContact O-CB 3.48Å; E183-F187 PolarHBondContact O-N 3.41Å; E183-F187 VanDerWaalsContact O-N 3.11Å; L184-F187 HydrophobicContact CD1-CD1 4.42Å; L184-F187 WeakPolarHBondContact O-CB 3.42Å; L184-F187 PolarHBondContact O-N 3.3Å; L185-F187 VanDerWaalsContact C-N 3.26Å; L185-F187 PolarHBondContact O-N 2.93Å; F187-C189 VanDerWaalsContact C-N 3.31Å; F187-C189 PolarHBondContact O-N 3.49Å; F187-A190 PolarHBondContact O-N 2.89Å; F187-L191 HydrophobicContact CD1-CD1 4.05Å; F187-L191 HydrophobicContact CE1-CD1 3.41Å; F187-L191 VanDerWaalsContact CE1-CD1 3.41Å; F187-L191 HydrophobicContact CE2-CD1 4.11Å; F187-L191 HydrophobicContact CZ-CD1 3.46Å; F187-L191 VanDerWaalsContact CZ-CD1 3.46Å; F187-L191 HydrophobicContact CZ-CG 4.43Å; F187-L191 PolarHBondContact O-N 3.46Å; F187-H213 HydrophobicContact CD2-CB 3.63Å; F187-H213 HydrophobicContact CE2-CB 4.15Å; F187-H213 HydrophobicContact CG-CB 4.39Å; F187-V214 HydrophobicContact CB-CG2 4.46Å; F187-S217 WeakPolarHBondContact CD2-OG 3.39Å; F187-S217 WeakPolarHBondContact CE2-OG 3.21Å |
| 188 | N | 83.2 | Confident | 80.5 | Confident | 78 Ų | 78 | 52.9 Ų | 52.9 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.5 | -38.5 | 178.5 | -81.4 | -45.5 | 0 | 0 | 0 | 112.1 | L184 L185 L191 R192 | L184-N188 PolarHBondContact O-N 2.93Å; L184-N188 PolarHBondContact O-ND2 2.84Å; L184-N188 VanDerWaalsContact O-ND2 3.15Å; L185-N188 PolarHBondContact O-N 3.32Å; N188-L191 PolarHBondContact O-N 2.82Å; N188-R192 WeakPolarHBondContact O-CB 3.38Å; N188-R192 PolarHBondContact O-N 2.97Å |
| 189 | C | 87 | Confident | 82.1 | Confident | 2 Ų | 2 | 56.6 Ų | 56.6 | 1% | 0.014 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 176.2 | -78 | 0 | 0 | 0 | 0 | 113 | A169 E170 H171 L185 T186 F187 L191 R192 A193 | A169-C189 HydrophobicContact CB-CB 4.17Å; A169-C189 WeakPolarHBondContact O-CB 3.4Å; E170-C189 PolarHBondContact O-SG 2.91Å; H171-C189 VanDerWaalsContact CA-SG 3.52Å; H171-C189 VanDerWaalsContact CB-SG 3.5Å; H171-C189 PolarHBondContact N-SG 3.2Å; L185-C189 PolarHBondContact O-N 2.77Å; T186-C189 PolarHBondContact O-N 2.73Å; F187-C189 VanDerWaalsContact C-N 3.31Å; F187-C189 PolarHBondContact O-N 3.49Å; C189-L191 VanDerWaalsContact C-N 3.32Å; C189-L191 PolarHBondContact O-N 2.8Å; C189-R192 PolarHBondContact O-N 3.04Å; C189-R192 PolarHBondContact SG-NH2 3.24Å; C189-A193 WeakPolarHBondContact O-CB 3.41Å; C189-A193 PolarHBondContact O-N 2.92Å |
| 190 | A | 88.2 | Confident | 83.9 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 2% | 0.017 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | T186 F187 A193 C194 L206 V214 | T186-A190 PolarHBondContact O-N 3.41Å; F187-A190 PolarHBondContact O-N 2.89Å; A190-A193 PolarHBondContact O-N 3.23Å; A190-C194 PolarHBondContact O-N 2.9Å; A190-C194 PolarHBondContact O-SG 2.85Å; A190-L206 HydrophobicContact CB-CD1 3.98Å; A190-V214 HydrophobicContact CB-CB 4.5Å; A190-V214 HydrophobicContact CB-CG1 3.77Å; A190-V214 HydrophobicContact CB-CG2 4.16Å |
| 191 | L | 89.5 | Confident | 85.7 | Confident | 45 Ų | 45 | 44.1 Ų | 44.1 | 24% | 0.236 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -66.1 | -40.5 | 175.4 | -76.1 | 177 | 0 | 0 | 0 | 112.7 | F187 N188 C189 C194 S195 M221 | F187-L191 HydrophobicContact CD1-CD1 4.05Å; F187-L191 HydrophobicContact CE1-CD1 3.41Å; F187-L191 VanDerWaalsContact CE1-CD1 3.41Å; F187-L191 HydrophobicContact CE2-CD1 4.11Å; F187-L191 HydrophobicContact CZ-CD1 3.46Å; F187-L191 VanDerWaalsContact CZ-CD1 3.46Å; F187-L191 HydrophobicContact CZ-CG 4.43Å; F187-L191 PolarHBondContact O-N 3.46Å; N188-L191 PolarHBondContact O-N 2.82Å; C189-L191 VanDerWaalsContact C-N 3.32Å; C189-L191 PolarHBondContact O-N 2.8Å; L191-C194 WeakPolarHBondContact O-CB 3.31Å; L191-C194 PolarHBondContact O-N 3.3Å; L191-S195 WeakPolarHBondContact O-CB 2.85Å; L191-S195 PolarHBondContact O-N 2.82Å; L191-S195 PolarHBondContact O-OG 2.84Å; L191-M221 HydrophobicContact CD2-CG 4.38Å |
| 192 | R | 91.2 | Very high | 87.4 | Confident | 62 Ų | 62 | 38.1 Ų | 38.1 | 23% | 0.234 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 174.5 | 178.6 | 163.5 | 56 | 85.3 | -4.8 | 111 | D148 N188 C189 C194 S195 L196 | D148-R192 IonicContact OD1-CZ 2.81Å; D148-R192 IonicContact OD1-NH1 3.48Å; D148-R192 PolarHBondContact OD1-NH1 3.1Å; D148-R192 WeakPolarHBondContact OD2-CD 3.48Å; N188-R192 WeakPolarHBondContact O-CB 3.38Å; N188-R192 PolarHBondContact O-N 2.97Å; C189-R192 PolarHBondContact O-N 3.04Å; C189-R192 PolarHBondContact SG-NH2 3.24Å; R192-C194 VanDerWaalsContact C-N 3.35Å; R192-C194 PolarHBondContact O-N 2.8Å; R192-S195 WeakPolarHBondContact O-CB 3.31Å; R192-S195 PolarHBondContact O-N 2.79Å; R192-S195 VanDerWaalsContact O-N 3.14Å; R192-L196 HydrophobicContact CG-CD1 4.35Å; R192-L196 WeakPolarHBondContact O-CG 3.39Å; R192-L196 PolarHBondContact O-N 3.35Å |
| 193 | A | 93.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 36.2 Ų | 36.2 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -58.4 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I167 A169 C189 A190 S195 L196 S197 L204 L206 | I167-A193 HydrophobicContact CD1-CB 4.04Å; I167-A193 HydrophobicContact CG2-CB 4.28Å; A169-A193 HydrophobicContact CB-CB 4.45Å; C189-A193 WeakPolarHBondContact O-CB 3.41Å; C189-A193 PolarHBondContact O-N 2.92Å; A190-A193 PolarHBondContact O-N 3.23Å; A193-S195 VanDerWaalsContact C-N 3.32Å; A193-S195 PolarHBondContact O-N 3.17Å; A193-L196 PolarHBondContact O-N 3.21Å; A193-S197 VanDerWaalsContact O-CB 3.29Å; A193-S197 WeakPolarHBondContact O-CB 3.27Å; A193-S197 PolarHBondContact O-N 2.88Å; A193-L204 HydrophobicContact CB-CD2 4.25Å; A193-L206 HydrophobicContact CB-CD2 4.29Å |
| 194 | C | 94.5 | Very high | 90 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -42.6 | 174.5 | -68.9 | 0 | 0 | 0 | 0 | 112.2 | A190 L191 R192 S197 Q198 M221 L226 | A190-C194 PolarHBondContact O-N 2.9Å; A190-C194 PolarHBondContact O-SG 2.85Å; L191-C194 WeakPolarHBondContact O-CB 3.31Å; L191-C194 PolarHBondContact O-N 3.3Å; R192-C194 VanDerWaalsContact C-N 3.35Å; R192-C194 PolarHBondContact O-N 2.8Å; C194-S197 PolarHBondContact O-N 3.43Å; C194-Q198 WeakPolarHBondContact O-CB 3.29Å; C194-Q198 PolarHBondContact O-N 2.88Å; C194-M221 HydrophobicContact CB-CB 4.5Å; C194-M221 HydrophobicContact CB-CE 4.11Å; C194-M221 HydrophobicContact CB-CG 3.91Å; C194-L226 HydrophobicContact CB-CD2 3.58Å; C194-L226 WeakPolarHBondContact O-CD2 3.32Å |
| 195 | S | 93.8 | Very high | 91.1 | Very high | 57 Ų | 57 | 28.5 Ų | 28.5 | 40% | 0.399 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -66.5 | -45 | -178.6 | -56.8 | 0 | 0 | 0 | 0 | 111.7 | L191 R192 A193 Q198 L199 | L191-S195 WeakPolarHBondContact O-CB 2.85Å; L191-S195 PolarHBondContact O-N 2.82Å; L191-S195 PolarHBondContact O-OG 2.84Å; R192-S195 WeakPolarHBondContact O-CB 3.31Å; R192-S195 PolarHBondContact O-N 2.79Å; R192-S195 VanDerWaalsContact O-N 3.14Å; A193-S195 VanDerWaalsContact C-N 3.32Å; A193-S195 PolarHBondContact O-N 3.17Å; S195-Q198 WeakPolarHBondContact O-CB 3.45Å; S195-Q198 PolarHBondContact O-N 3.07Å; S195-L199 WeakPolarHBondContact O-CG 3.15Å; S195-L199 PolarHBondContact O-N 2.97Å |
| 196 | L | 95.6 | Very high | 92 | Very high | 22 Ų | 22 | 27.7 Ų | 27.7 | 12% | 0.115 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 175.7 | -66.7 | 174.3 | 0 | 0 | 0 | 111.8 | D148 L151 L155 R192 A193 Q198 L199 A200 | D148-L196 HydrophobicContact CB-CD1 4.22Å; L151-L196 HydrophobicContact CD2-CD1 3.77Å; L151-L196 HydrophobicContact CG-CD1 4.27Å; L155-L196 HydrophobicContact CD1-CB 3.88Å; R192-L196 HydrophobicContact CG-CD1 4.35Å; R192-L196 WeakPolarHBondContact O-CG 3.39Å; R192-L196 PolarHBondContact O-N 3.35Å; A193-L196 PolarHBondContact O-N 3.21Å; L196-Q198 VanDerWaalsContact C-N 3.32Å; L196-Q198 PolarHBondContact O-N 2.98Å; L196-L199 PolarHBondContact O-N 3.34Å; L196-A200 WeakPolarHBondContact O-CB 3.32Å; L196-A200 PolarHBondContact O-N 2.75Å |
| 197 | S | 96.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61 | -40.8 | 174.5 | 155.2 | 0 | 0 | 0 | 0 | 111.9 | A193 C194 A200 G201 C202 L204 | A193-S197 VanDerWaalsContact O-CB 3.29Å; A193-S197 WeakPolarHBondContact O-CB 3.27Å; A193-S197 PolarHBondContact O-N 2.88Å; C194-S197 PolarHBondContact O-N 3.43Å; S197-A200 PolarHBondContact O-N 3.41Å; S197-G201 WeakPolarHBondContact O-CA 3.46Å; S197-G201 PolarHBondContact O-N 3.33Å; S197-C202 PolarHBondContact O-N 2.78Å; S197-C202 PolarHBondContact OG-O 3.5Å; S197-L204 WeakPolarHBondContact OG-CB 3.48Å |
| 198 | Q | 94.6 | Very high | 93.3 | Very high | 94 Ų | 94 | 26.1 Ų | 26.1 | 44% | 0.439 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.2 | -45.6 | 175.9 | -169 | 170.7 | 13.4 | 0 | 0 | 111.8 | C194 S195 L196 A200 G201 L226 | C194-Q198 WeakPolarHBondContact O-CB 3.29Å; C194-Q198 PolarHBondContact O-N 2.88Å; S195-Q198 WeakPolarHBondContact O-CB 3.45Å; S195-Q198 PolarHBondContact O-N 3.07Å; L196-Q198 VanDerWaalsContact C-N 3.32Å; L196-Q198 PolarHBondContact O-N 2.98Å; Q198-A200 VanDerWaalsContact C-N 3.34Å; Q198-A200 PolarHBondContact O-N 3.42Å; Q198-G201 PolarHBondContact O-N 3.38Å; Q198-G201 VanDerWaalsContact O-N 3.16Å; Q198-L226 HydrophobicContact CB-CD1 3.79Å; Q198-L226 HydrophobicContact CG-CD1 4.27Å |
| 199 | L | 94.5 | Very high | 93.7 | Very high | 126 Ų | 126 | 22.5 Ų | 22.5 | 66% | 0.66 | 12% | 0.123 | S | C | * | . | H | α-helix | trans | -62.7 | -40.9 | 176.9 | -70.3 | 171.5 | 0 | 0 | 0 | 111.9 | Y152 S195 L196 G201 | Y152-L199 HydrophobicContact CD2-CB 4.43Å; Y152-L199 HydrophobicContact CE2-CB 3.78Å; S195-L199 WeakPolarHBondContact O-CG 3.15Å; S195-L199 PolarHBondContact O-N 2.97Å; L196-L199 PolarHBondContact O-N 3.34Å; L199-G201 VanDerWaalsContact C-N 3.26Å; L199-G201 PolarHBondContact O-N 2.89Å |
| 200 | A | 96 | Very high | 93.8 | Very high | 3 Ų | 3 | 22.6 Ų | 22.6 | 3% | 0.025 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -73.6 | -18.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y152 L155 K156 R159 L196 S197 Q198 C202 | Y152-A200 HydrophobicContact CD2-CB 4.15Å; Y152-A200 HydrophobicContact CE2-CB 3.99Å; L155-A200 HydrophobicContact CB-CB 3.66Å; K156-A200 HydrophobicContact CG-CB 3.96Å; R159-A200 WeakPolarHBondContact CD-O 3.36Å; R159-A200 PolarHBondContact NH1-O 2.93Å; L196-A200 WeakPolarHBondContact O-CB 3.32Å; L196-A200 PolarHBondContact O-N 2.75Å; S197-A200 PolarHBondContact O-N 3.41Å; Q198-A200 VanDerWaalsContact C-N 3.34Å; Q198-A200 PolarHBondContact O-N 3.42Å; A200-C202 VanDerWaalsContact C-N 3.25Å; A200-C202 HydrophobicContact CB-CB 4.18Å; A200-C202 PolarHBondContact O-N 3.22Å |
| 201 | G | 94.5 | Very high | 93.6 | Very high | 23 Ų | 23 | 22.5 Ų | 22.5 | 24% | 0.237 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.8 | 32.9 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | R159 S197 Q198 L199 I436 | R159-G201 VanDerWaalsContact CD-O 3.28Å; R159-G201 WeakPolarHBondContact CD-O 3.27Å; S197-G201 WeakPolarHBondContact O-CA 3.46Å; S197-G201 PolarHBondContact O-N 3.33Å; Q198-G201 PolarHBondContact O-N 3.38Å; Q198-G201 VanDerWaalsContact O-N 3.16Å; L199-G201 VanDerWaalsContact C-N 3.26Å; L199-G201 PolarHBondContact O-N 2.89Å; G201-I436 WeakPolarHBondContact O-CD1 3.35Å |
| 202 | C | 97.3 | Very high | 93.3 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.014 | 13% | 0.126 | C | C | . | . | trans | -101.2 | 132.2 | -178.2 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | L155 R159 S197 A200 L204 | L155-C202 HydrophobicContact CB-CB 4.11Å; L155-C202 HydrophobicContact CD2-CB 4.22Å; L155-C202 VanDerWaalsContact O-CB 3.28Å; L155-C202 WeakPolarHBondContact O-CB 3.5Å; L155-C202 PolarHBondContact O-SG 3.41Å; R159-C202 HydrophobicContact CB-CB 4.08Å; S197-C202 PolarHBondContact O-N 2.78Å; S197-C202 PolarHBondContact OG-O 3.5Å; A200-C202 VanDerWaalsContact C-N 3.25Å; A200-C202 HydrophobicContact CB-CB 4.18Å; A200-C202 PolarHBondContact O-N 3.22Å; C202-L204 PolarHBondContact O-N 2.7Å | ||
| 203 | P | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -59.4 | 134.9 | 171 | -23.1 | 35.4 | 0 | 0 | 0 | 111.7 | L164 A165 I227 A432 F433 I436 | L164-P203 HydrophobicContact CD1-CB 4.23Å; A165-P203 PolarHBondContact N-O 2.98Å; P203-I227 WeakPolarHBondContact CA-O 3.41Å; P203-I227 HydrophobicContact CB-CB 4.39Å; P203-I227 HydrophobicContact CB-CG2 3.95Å; P203-I227 HydrophobicContact CG-CG2 4.38Å; P203-A432 HydrophobicContact CB-CB 3.83Å; P203-A432 HydrophobicContact CG-CB 3.95Å; P203-A432 WeakPolarHBondContact CG-O 3.48Å; P203-F433 HydrophobicContact CG-CD1 4.26Å; P203-F433 HydrophobicContact CG-CD2 4.18Å; P203-F433 HydrophobicContact CG-CE1 3.95Å; P203-F433 HydrophobicContact CG-CE2 3.86Å; P203-F433 HydrophobicContact CG-CG 4.37Å; P203-F433 HydrophobicContact CG-CZ 3.74Å; P203-I436 VanDerWaalsContact CD-CD1 3.44Å; P203-I436 HydrophobicContact CG-CD1 3.42Å; P203-I436 VanDerWaalsContact CG-CD1 3.42Å | ||
| 204 | L | 97.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 138.2 | -176.4 | 177.4 | 62.6 | 0 | 0 | 0 | 111.2 | I167 A193 S197 C202 L206 I227 V228 F229 | I167-L204 HydrophobicContact CB-CD1 4.05Å; I167-L204 HydrophobicContact CD1-CD1 3.46Å; I167-L204 VanDerWaalsContact CD1-CD1 3.46Å; I167-L204 HydrophobicContact CG1-CD1 3.55Å; A193-L204 HydrophobicContact CB-CD2 4.25Å; S197-L204 WeakPolarHBondContact OG-CB 3.48Å; C202-L204 PolarHBondContact O-N 2.7Å; L204-L206 HydrophobicContact CD1-CD2 4.21Å; L204-L206 HydrophobicContact CD2-CD2 4.01Å; L204-L206 HydrophobicContact CD2-CG 4.13Å; L204-L206 HydrophobicContact CG-CD2 4.19Å; L204-L206 HydrophobicContact CG-CG 4.23Å; L204-I227 PolarHBondContact N-O 2.76Å; L204-V228 HydrophobicContact CB-CB 4.46Å; L204-V228 HydrophobicContact CB-CG2 4.23Å; L204-V228 HydrophobicContact CD2-CG2 4.1Å; L204-V228 HydrophobicContact CG-CG2 4.15Å; L204-V228 CarbonylContact O-C 3.43Å; L204-V228 VanDerWaalsContact O-CA 3.23Å; L204-V228 WeakPolarHBondContact O-CA 3.45Å; L204-F229 PolarHBondContact O-N 2.88Å |
| 205 | N | 97.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 129.6 | 163.6 | 173.8 | -92.8 | 0 | 0 | 0 | 109.6 | L164 A165 R166 I167 P207 F229 E231 | L164-N205 HydrophobicContact CD1-CB 4.02Å; L164-N205 HydrophobicContact CD2-CB 3.96Å; L164-N205 HydrophobicContact CG-CB 4.09Å; A165-N205 PolarHBondContact O-N 2.79Å; R166-N205 CarbonylContact C-O 3.56Å; R166-N205 VanDerWaalsContact CA-O 3.29Å; R166-N205 WeakPolarHBondContact CA-O 3.39Å; R166-N205 HydrophobicContact CG-CB 4.1Å; R166-N205 PolarHBondContact NH1-OD1 2.84Å; I167-N205 PolarHBondContact N-O 3.28Å; N205-P207 VanDerWaalsContact O-CD 3.28Å; N205-P207 WeakPolarHBondContact O-CD 3.39Å; N205-F229 CarbonylContact C-O 3.55Å; N205-F229 WeakPolarHBondContact CA-O 3.14Å; N205-E231 VanDerWaalsContact CG-OE1 3.28Å; N205-E231 VanDerWaalsContact ND2-CG 3.29Å; N205-E231 WeakPolarHBondContact ND2-CG 3.27Å; N205-E231 PolarHBondContact ND2-OE1 3.39Å; N205-E231 PolarHBondContact OD1-OE1 3.01Å; N205-E231 VanDerWaalsContact OD1-OE1 3.12Å |
| 206 | L | 95.3 | Very high | 91.9 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 98.5 | 174.1 | -68.3 | -178.8 | 0 | 0 | 0 | 108.9 | I167 A169 A190 A193 L204 V209 V218 V228 F229 E231 | I167-L206 HydrophobicContact CB-CD2 4.15Å; A169-L206 HydrophobicContact CB-CD2 4.19Å; A190-L206 HydrophobicContact CB-CD1 3.98Å; A193-L206 HydrophobicContact CB-CD2 4.29Å; L204-L206 HydrophobicContact CD1-CD2 4.21Å; L204-L206 HydrophobicContact CD2-CD2 4.01Å; L204-L206 HydrophobicContact CD2-CG 4.13Å; L204-L206 HydrophobicContact CG-CD2 4.19Å; L204-L206 HydrophobicContact CG-CG 4.23Å; L206-V209 HydrophobicContact CB-CG2 4.44Å; L206-V218 HydrophobicContact CD1-CG2 3.71Å; L206-V228 HydrophobicContact CD1-CG2 4.44Å; L206-V228 HydrophobicContact CG-CG2 4.44Å; L206-F229 PolarHBondContact N-O 3.05Å; L206-E231 PolarHBondContact O-N 3.31Å |
| 207 | P | 92.8 | Very high | 91.4 | Very high | 8 Ų | 8 | 28.5 Ų | 28.5 | 5% | 0.052 | 14% | 0.142 | C | C | . | . | trans | -67.4 | 159 | 169.1 | 31 | -37.8 | 0 | 0 | 0 | 111.1 | H43 I167 N205 | H43-P207 VanDerWaalsContact CE1-CB 3.48Å; H43-P207 WeakPolarHBondContact CE1-CB 3.44Å; H43-P207 VanDerWaalsContact ND1-CB 3.33Å; H43-P207 WeakPolarHBondContact ND1-CB 3.49Å; I167-P207 WeakPolarHBondContact O-CD 3.33Å; N205-P207 VanDerWaalsContact O-CD 3.28Å; N205-P207 WeakPolarHBondContact O-CD 3.39Å | ||
| 208 | F | 88.7 | Confident | 91 | Very high | 19 Ų | 19 | 28.5 Ų | 28.5 | 8% | 0.083 | 14% | 0.142 | C | C | . | . | trans | 57.8 | 48.8 | 174.4 | -45.4 | -79.7 | 0 | 0 | 0 | 115.1 | H43 H168 V210 E231 T233 P259 | H43-F208 AromaticContact CD2-CZ 3.78Å; H43-F208 AromaticContact CE1-CE2 3.18Å; H43-F208 WeakPolarHBondContact CE1-CE2 3.42Å; H43-F208 AromaticContact CE1-CZ 3.5Å; H43-F208 VanDerWaalsContact CE1-CZ 3.5Å; H43-F208 WeakPolarHBondContact CE1-CZ 3.47Å; H43-F208 AromaticContact ND1-CE2 3.8Å; H43-F208 AromaticContact ND1-CZ 3.86Å; H43-F208 AromaticContact NE2-CE2 3.47Å; H43-F208 WeakPolarHBondContact NE2-CE2 3.3Å; H43-F208 AromaticContact NE2-CZ 3.43Å; H43-F208 WeakPolarHBondContact NE2-CZ 3.4Å; H168-F208 AromaticContact ND1-CD2 4Å; F208-V210 WeakPolarHBondContact O-CG1 3.45Å; F208-V210 PolarHBondContact O-N 2.78Å; F208-E231 PolarHBondContact N-O 3.29Å; F208-T233 HydrophobicContact CD1-CG2 3.39Å; F208-T233 HydrophobicContact CE1-CG2 3.8Å; F208-T233 HydrophobicContact CG-CG2 4.43Å; F208-P259 VanDerWaalsContact CB-CD 3.43Å; F208-P259 HydrophobicContact CB-CG 4.13Å | ||
| 209 | V | 91.4 | Very high | 90.8 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 13% | 0.128 | C | C | . | . | trans | -67.6 | 96.3 | 167.8 | -179.1 | 0 | 0 | 0 | 0 | 109.2 | L206 V214 A215 E231 T232 L271 L280 | L206-V209 HydrophobicContact CB-CG2 4.44Å; V209-V214 HydrophobicContact CB-CG1 4.47Å; V209-V214 HydrophobicContact CG1-CB 4.13Å; V209-V214 HydrophobicContact CG1-CG1 3.87Å; V209-V214 HydrophobicContact CG2-CG1 4.11Å; V209-A215 HydrophobicContact CG1-CB 3.75Å; V209-E231 PolarHBondContact N-O 3.44Å; V209-T232 WeakPolarHBondContact O-CB 3.28Å; V209-T232 PolarHBondContact O-OG1 3.4Å; V209-L271 HydrophobicContact CG1-CD2 4.17Å; V209-L280 HydrophobicContact CB-CD2 4.18Å; V209-L280 HydrophobicContact CG1-CD1 4.34Å; V209-L280 HydrophobicContact CG1-CD2 4.08Å; V209-L280 HydrophobicContact CG2-CD2 4.06Å | ||
| 210 | V | 88.9 | Confident | 90.6 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 2% | 0.024 | 12% | 0.118 | C | C | . | . | trans | -93.4 | -7 | -174.5 | -60.2 | 0 | 0 | 0 | 0 | 114.6 | F208 P259 R262 I267 | F208-V210 WeakPolarHBondContact O-CG1 3.45Å; F208-V210 PolarHBondContact O-N 2.78Å; V210-P259 HydrophobicContact CG1-CB 3.88Å; V210-P259 HydrophobicContact CG1-CG 4.26Å; V210-P259 HydrophobicContact CG2-CB 3.83Å; V210-R262 HydrophobicContact CG2-CG 4.38Å; V210-R262 VanDerWaalsContact O-CG 3.3Å; V210-R262 WeakPolarHBondContact O-CG 3.5Å; V210-I267 VanDerWaalsContact O-CG2 3.26Å; V210-I267 WeakPolarHBondContact O-CG2 3.35Å | ||
| 211 | N | 85.2 | Confident | 90.4 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -143.9 | 160.2 | -176.6 | 75.8 | 52 | 0 | 0 | 0 | 113.8 | E183 H213 V214 A215 R262 I267 | E183-N211 HydrophobicContact CG-CB 4.42Å; N211-H213 VanDerWaalsContact C-N 3.3Å; N211-H213 PolarHBondContact O-N 3.07Å; N211-H213 WeakPolarHBondContact OD1-CA 3.14Å; N211-H213 WeakPolarHBondContact OD1-CB 3.2Å; N211-H213 PolarHBondContact OD1-N 2.98Å; N211-V214 WeakPolarHBondContact OD1-CG2 3.32Å; N211-V214 PolarHBondContact OD1-N 3.4Å; N211-A215 PolarHBondContact O-N 3.44Å; N211-R262 HydrophobicContact CB-CG 4.04Å; N211-I267 HydrophobicContact CB-CD1 4.42Å |
| 212 | K | 82.1 | Confident | 90.3 | Very high | 73 Ų | 73 | 25.5 Ų | 25.5 | 32% | 0.317 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -67.1 | -27 | -177.6 | 65.3 | -166.2 | 173.2 | -157.9 | 0 | 113.5 | K216 D264 I267 R274 | K212-K216 WeakPolarHBondContact O-CB 3.47Å; K212-K216 PolarHBondContact O-N 2.85Å; K212-D264 IonicContact NZ-OD2 2.65Å; K212-D264 PolarHBondContact NZ-OD2 3.23Å; K212-I267 HydrophobicContact CB-CD1 4.27Å; K212-I267 HydrophobicContact CD-CD1 4.07Å; K212-I267 HydrophobicContact CG-CD1 4.08Å; K212-R274 PolarHBondContact O-NH2 3.26Å |
| 213 | H | 83.4 | Confident | 90.1 | Very high | 83 Ų | 83 | 30.6 Ų | 30.6 | 38% | 0.384 | 15% | 0.151 | S | C | . | . | H | α-helix | trans | -76 | -43.1 | -177.3 | -65.4 | -82.6 | 0 | 0 | 0 | 111.8 | E183 F187 N211 K216 S217 | E183-H213 IonicContact OE1-CD2 3.66Å; E183-H213 PolarHBondContact OE1-CD2 2.92Å; E183-H213 VanDerWaalsContact OE1-CD2 3.29Å; F187-H213 HydrophobicContact CD2-CB 3.63Å; F187-H213 HydrophobicContact CE2-CB 4.15Å; F187-H213 HydrophobicContact CG-CB 4.39Å; N211-H213 VanDerWaalsContact C-N 3.3Å; N211-H213 PolarHBondContact O-N 3.07Å; N211-H213 WeakPolarHBondContact OD1-CA 3.14Å; N211-H213 WeakPolarHBondContact OD1-CB 3.2Å; N211-H213 PolarHBondContact OD1-N 2.98Å; H213-K216 PolarHBondContact O-N 3.45Å; H213-S217 WeakPolarHBondContact O-CB 3.47Å; H213-S217 PolarHBondContact O-N 3.45Å; H213-S217 PolarHBondContact O-OG 3.09Å |
| 214 | V | 87.6 | Confident | 89.8 | Confident | 6 Ų | 6 | 36.9 Ų | 36.9 | 4% | 0.036 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61 | -48.3 | 172.3 | 173.2 | 0 | 0 | 0 | 0 | 109.3 | T186 F187 A190 V209 N211 K216 S217 V218 | T186-V214 HydrophobicContact CG2-CG2 4.07Å; F187-V214 HydrophobicContact CB-CG2 4.46Å; A190-V214 HydrophobicContact CB-CB 4.5Å; A190-V214 HydrophobicContact CB-CG1 3.77Å; A190-V214 HydrophobicContact CB-CG2 4.16Å; V209-V214 HydrophobicContact CB-CG1 4.47Å; V209-V214 HydrophobicContact CG1-CB 4.13Å; V209-V214 HydrophobicContact CG1-CG1 3.87Å; V209-V214 HydrophobicContact CG2-CG1 4.11Å; N211-V214 WeakPolarHBondContact OD1-CG2 3.32Å; N211-V214 PolarHBondContact OD1-N 3.4Å; V214-K216 VanDerWaalsContact C-N 3.35Å; V214-K216 PolarHBondContact O-N 3.11Å; V214-S217 WeakPolarHBondContact O-CB 3.19Å; V214-S217 PolarHBondContact O-N 3.26Å; V214-V218 HydrophobicContact CG1-CG2 4.43Å; V214-V218 WeakPolarHBondContact O-CG2 3.38Å; V214-V218 PolarHBondContact O-N 3.21Å |
| 215 | A | 87.4 | Confident | 89.4 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.2 | -41.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V209 N211 S217 V218 A219 L271 L280 | V209-A215 HydrophobicContact CG1-CB 3.75Å; N211-A215 PolarHBondContact O-N 3.44Å; A215-S217 VanDerWaalsContact C-N 3.3Å; A215-S217 PolarHBondContact O-N 2.94Å; A215-V218 PolarHBondContact O-N 2.95Å; A215-A219 PolarHBondContact O-N 3.35Å; A215-L271 HydrophobicContact CB-CD2 4.42Å; A215-L280 HydrophobicContact CB-CD1 4.19Å; A215-L280 HydrophobicContact CB-CD2 4.22Å; A215-L280 HydrophobicContact CB-CG 4.33Å |
| 216 | K | 86 | Confident | 89.3 | Confident | 141 Ų | 141 | 39.8 Ų | 39.8 | 61% | 0.613 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.2 | -37.4 | 173.9 | -170.3 | 176.7 | 178.2 | -179.6 | 0 | 112.2 | K212 H213 V214 A219 H220 R274 | K212-K216 WeakPolarHBondContact O-CB 3.47Å; K212-K216 PolarHBondContact O-N 2.85Å; H213-K216 PolarHBondContact O-N 3.45Å; V214-K216 VanDerWaalsContact C-N 3.35Å; V214-K216 PolarHBondContact O-N 3.11Å; K216-A219 PolarHBondContact O-N 2.84Å; K216-H220 WeakPolarHBondContact O-CB 3.22Å; K216-H220 PolarHBondContact O-N 3.07Å; K216-R274 VanDerWaalsContact CA-NH1 3.34Å |
| 217 | S | 84.8 | Confident | 89.3 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 7% | 0.07 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.6 | -43.9 | 178.4 | -62.3 | 0 | 0 | 0 | 0 | 112.1 | F187 H213 V214 A215 A219 H220 M221 | F187-S217 WeakPolarHBondContact CD2-OG 3.39Å; F187-S217 WeakPolarHBondContact CE2-OG 3.21Å; H213-S217 WeakPolarHBondContact O-CB 3.47Å; H213-S217 PolarHBondContact O-N 3.45Å; H213-S217 PolarHBondContact O-OG 3.09Å; V214-S217 WeakPolarHBondContact O-CB 3.19Å; V214-S217 PolarHBondContact O-N 3.26Å; A215-S217 VanDerWaalsContact C-N 3.3Å; A215-S217 PolarHBondContact O-N 2.94Å; S217-A219 VanDerWaalsContact C-N 3.3Å; S217-A219 PolarHBondContact O-N 3.29Å; S217-H220 CarbonylContact O-C 3.57Å; S217-H220 WeakPolarHBondContact O-CB 3.33Å; S217-H220 PolarHBondContact O-N 3.43Å; S217-H220 VanDerWaalsContact O-N 3.13Å; S217-M221 WeakPolarHBondContact O-CG 3.48Å; S217-M221 PolarHBondContact O-N 3.01Å |
| 218 | V | 87.4 | Confident | 89.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.3 | -48.7 | 173.3 | 169.8 | 0 | 0 | 0 | 0 | 109.9 | L206 V214 A215 H220 M221 K222 V228 | L206-V218 HydrophobicContact CD1-CG2 3.71Å; V214-V218 HydrophobicContact CG1-CG2 4.43Å; V214-V218 WeakPolarHBondContact O-CG2 3.38Å; V214-V218 PolarHBondContact O-N 3.21Å; A215-V218 PolarHBondContact O-N 2.95Å; V218-H220 VanDerWaalsContact C-N 3.35Å; V218-H220 PolarHBondContact O-N 3.48Å; V218-M221 PolarHBondContact O-N 3.38Å; V218-K222 HydrophobicContact CG1-CD 4.48Å; V218-K222 WeakPolarHBondContact O-CG 3.26Å; V218-K222 PolarHBondContact O-N 3.17Å; V218-V228 HydrophobicContact CG1-CG1 4Å; V218-V228 HydrophobicContact CG1-CG2 4.14Å; V218-V228 HydrophobicContact CG2-CG2 4.48Å |
| 219 | A | 90 | Very high | 89.9 | Confident | 16 Ų | 16 | 39.8 Ų | 39.8 | 13% | 0.132 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.1 | -45.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | A215 K216 S217 M221 K222 T223 E279 | A215-A219 PolarHBondContact O-N 3.35Å; K216-A219 PolarHBondContact O-N 2.84Å; S217-A219 VanDerWaalsContact C-N 3.3Å; S217-A219 PolarHBondContact O-N 3.29Å; A219-M221 PolarHBondContact O-N 2.98Å; A219-K222 WeakPolarHBondContact O-CB 3.39Å; A219-K222 PolarHBondContact O-N 3.25Å; A219-T223 WeakPolarHBondContact O-CG2 3.31Å; A219-T223 PolarHBondContact O-N 3.46Å; A219-E279 HydrophobicContact CB-CB 4.1Å; A219-E279 HydrophobicContact CB-CG 3.75Å |
| 220 | H | 91 | Very high | 90.1 | Very high | 99 Ų | 99 | 39.7 Ų | 39.7 | 46% | 0.458 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -60.9 | -45.6 | 177.2 | -174.9 | 68.8 | 0 | 0 | 0 | 112.4 | K216 S217 V218 K222 T223 K224 | K216-H220 WeakPolarHBondContact O-CB 3.22Å; K216-H220 PolarHBondContact O-N 3.07Å; S217-H220 CarbonylContact O-C 3.57Å; S217-H220 WeakPolarHBondContact O-CB 3.33Å; S217-H220 PolarHBondContact O-N 3.43Å; S217-H220 VanDerWaalsContact O-N 3.13Å; V218-H220 VanDerWaalsContact C-N 3.35Å; V218-H220 PolarHBondContact O-N 3.48Å; H220-K222 VanDerWaalsContact C-N 3.3Å; H220-K222 PolarHBondContact O-N 3.4Å; H220-T223 WeakPolarHBondContact O-CA 3.45Å; H220-T223 WeakPolarHBondContact O-CB 3.22Å; H220-T223 PolarHBondContact O-N 3.08Å; H220-T223 PolarHBondContact O-OG1 2.86Å; H220-K224 WeakPolarHBondContact NE2-CE 3.46Å; H220-K224 PolarHBondContact O-N 3.27Å |
| 221 | M | 91.5 | Very high | 90.4 | Very high | 19 Ų | 19 | 39.5 Ų | 39.5 | 9% | 0.094 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.2 | -34.2 | 179.6 | -67.8 | -55.6 | -66.3 | 0 | 0 | 111.9 | L191 C194 S217 V218 A219 T223 K224 G225 L226 V228 | L191-M221 HydrophobicContact CD2-CG 4.38Å; C194-M221 HydrophobicContact CB-CB 4.5Å; C194-M221 HydrophobicContact CB-CE 4.11Å; C194-M221 HydrophobicContact CB-CG 3.91Å; S217-M221 WeakPolarHBondContact O-CG 3.48Å; S217-M221 PolarHBondContact O-N 3.01Å; V218-M221 PolarHBondContact O-N 3.38Å; A219-M221 PolarHBondContact O-N 2.98Å; M221-T223 VanDerWaalsContact C-N 3.31Å; M221-T223 PolarHBondContact O-N 3.38Å; M221-K224 WeakPolarHBondContact O-CA 3.35Å; M221-K224 WeakPolarHBondContact O-CB 3.37Å; M221-K224 PolarHBondContact O-N 3.15Å; M221-G225 PolarHBondContact O-N 3.33Å; M221-L226 HydrophobicContact CB-CB 4.16Å; M221-L226 HydrophobicContact CB-CD2 3.88Å; M221-L226 HydrophobicContact CE-CD2 4.06Å; M221-L226 HydrophobicContact CG-CD2 4.48Å; M221-L226 VanDerWaalsContact O-CB 3.28Å; M221-L226 WeakPolarHBondContact O-CB 3.3Å; M221-L226 PolarHBondContact O-N 3.05Å; M221-L226 VanDerWaalsContact O-N 3.1Å; M221-V228 HydrophobicContact CB-CG1 4.3Å |
| 222 | K | 93.1 | Very high | 91 | Very high | 49 Ų | 49 | 39.5 Ų | 39.5 | 21% | 0.213 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.3 | -42.8 | 169 | -69.6 | 169.9 | 177.2 | 171.7 | 0 | 111.8 | V218 A219 H220 K224 G225 V228 E279 E281 | V218-K222 HydrophobicContact CG1-CD 4.48Å; V218-K222 WeakPolarHBondContact O-CG 3.26Å; V218-K222 PolarHBondContact O-N 3.17Å; A219-K222 WeakPolarHBondContact O-CB 3.39Å; A219-K222 PolarHBondContact O-N 3.25Å; H220-K222 VanDerWaalsContact C-N 3.3Å; H220-K222 PolarHBondContact O-N 3.4Å; K222-K224 PolarHBondContact O-N 3.16Å; K222-G225 PolarHBondContact O-N 2.94Å; K222-V228 WeakPolarHBondContact CE-O 3.44Å; K222-V228 HydrophobicContact CG-CG1 3.65Å; K222-E279 PolarHBondContact NZ-O 3.05Å; K222-E281 IonicContact NZ-OE1 2.9Å; K222-E281 PolarHBondContact NZ-OE1 2.89Å; K222-E281 IonicContact NZ-OE2 2.8Å; K222-E281 PolarHBondContact NZ-OE2 3.44Å |
| 223 | T | 92.8 | Very high | 91.7 | Very high | 109 Ų | 109 | 36.5 Ų | 36.5 | 67% | 0.669 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -64.7 | -22.5 | 176.5 | 73.2 | 0 | 0 | 0 | 0 | 113.5 | A219 H220 M221 G225 | A219-T223 WeakPolarHBondContact O-CG2 3.31Å; A219-T223 PolarHBondContact O-N 3.46Å; H220-T223 WeakPolarHBondContact O-CA 3.45Å; H220-T223 WeakPolarHBondContact O-CB 3.22Å; H220-T223 PolarHBondContact O-N 3.08Å; H220-T223 PolarHBondContact O-OG1 2.86Å; M221-T223 VanDerWaalsContact C-N 3.31Å; M221-T223 PolarHBondContact O-N 3.38Å; T223-G225 PolarHBondContact O-N 2.96Å |
| 224 | K | 91.2 | Very high | 92.4 | Very high | 133 Ų | 133 | 32.5 Ų | 32.5 | 58% | 0.578 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 4.6 | 172.8 | -60.5 | -62.7 | -173.3 | 178 | 0 | 113.1 | H220 M221 K222 | H220-K224 WeakPolarHBondContact NE2-CE 3.46Å; H220-K224 PolarHBondContact O-N 3.27Å; M221-K224 WeakPolarHBondContact O-CA 3.35Å; M221-K224 WeakPolarHBondContact O-CB 3.37Å; M221-K224 PolarHBondContact O-N 3.15Å; K222-K224 PolarHBondContact O-N 3.16Å |
| 225 | G | 90 | Very high | 92.9 | Very high | 49 Ų | 49 | 32.3 Ų | 32.3 | 51% | 0.505 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89 | 1.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | M221 K222 T223 I227 | M221-G225 PolarHBondContact O-N 3.33Å; K222-G225 PolarHBondContact O-N 2.94Å; T223-G225 PolarHBondContact O-N 2.96Å; G225-I227 PolarHBondContact O-N 3.29Å |
| 226 | L | 94.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 32.6 Ų | 32.6 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | trans | -64.7 | 137.7 | 176.4 | -173.8 | 60.9 | 0 | 0 | 0 | 110.6 | C194 Q198 M221 V228 | C194-L226 HydrophobicContact CB-CD2 3.58Å; C194-L226 WeakPolarHBondContact O-CD2 3.32Å; Q198-L226 HydrophobicContact CB-CD1 3.79Å; Q198-L226 HydrophobicContact CG-CD1 4.27Å; M221-L226 HydrophobicContact CB-CB 4.16Å; M221-L226 HydrophobicContact CB-CD2 3.88Å; M221-L226 HydrophobicContact CE-CD2 4.06Å; M221-L226 HydrophobicContact CG-CD2 4.48Å; M221-L226 VanDerWaalsContact O-CB 3.28Å; M221-L226 WeakPolarHBondContact O-CB 3.3Å; M221-L226 PolarHBondContact O-N 3.05Å; M221-L226 VanDerWaalsContact O-N 3.1Å; L226-V228 HydrophobicContact CB-CG1 4.45Å; L226-V228 HydrophobicContact CD2-CB 4Å; L226-V228 HydrophobicContact CD2-CG1 4.09Å; L226-V228 HydrophobicContact CG-CB 4.1Å; L226-V228 HydrophobicContact CG-CG1 4.2Å; L226-V228 PolarHBondContact O-N 2.85Å | ||
| 227 | I | 96.4 | Very high | 93.8 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 7% | 0.072 | 15% | 0.146 | C | C | . | . | trans | -87.9 | 85.5 | 171.4 | -44.8 | -163.8 | 0 | 0 | 0 | 108.1 | P203 L204 G225 F229 A432 R435 I436 | P203-I227 WeakPolarHBondContact CA-O 3.41Å; P203-I227 HydrophobicContact CB-CB 4.39Å; P203-I227 HydrophobicContact CB-CG2 3.95Å; P203-I227 HydrophobicContact CG-CG2 4.38Å; L204-I227 PolarHBondContact N-O 2.76Å; G225-I227 PolarHBondContact O-N 3.29Å; I227-F229 HydrophobicContact CG2-CE2 3.67Å; I227-F229 HydrophobicContact CG2-CZ 3.87Å; I227-A432 VanDerWaalsContact CD1-O 3.23Å; I227-A432 WeakPolarHBondContact CD1-O 3.41Å; I227-R435 HydrophobicContact CD1-CB 3.98Å; I227-R435 VanDerWaalsContact CG1-NH2 3.3Å; I227-I436 HydrophobicContact CD1-CD1 3.87Å; I227-I436 HydrophobicContact CD1-CG1 3.6Å | ||
| 228 | V | 96.1 | Very high | 94.4 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.018 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.9 | 178.2 | 60.5 | 0 | 0 | 0 | 0 | 110.3 | L204 L206 V218 M221 K222 L226 | L204-V228 HydrophobicContact CB-CB 4.46Å; L204-V228 HydrophobicContact CB-CG2 4.23Å; L204-V228 HydrophobicContact CD2-CG2 4.1Å; L204-V228 HydrophobicContact CG-CG2 4.15Å; L204-V228 CarbonylContact O-C 3.43Å; L204-V228 VanDerWaalsContact O-CA 3.23Å; L204-V228 WeakPolarHBondContact O-CA 3.45Å; L206-V228 HydrophobicContact CD1-CG2 4.44Å; L206-V228 HydrophobicContact CG-CG2 4.44Å; V218-V228 HydrophobicContact CG1-CG1 4Å; V218-V228 HydrophobicContact CG1-CG2 4.14Å; V218-V228 HydrophobicContact CG2-CG2 4.48Å; M221-V228 HydrophobicContact CB-CG1 4.3Å; K222-V228 WeakPolarHBondContact CE-O 3.44Å; K222-V228 HydrophobicContact CG-CG1 3.65Å; L226-V228 HydrophobicContact CB-CG1 4.45Å; L226-V228 HydrophobicContact CD2-CB 4Å; L226-V228 HydrophobicContact CD2-CG1 4.09Å; L226-V228 HydrophobicContact CG-CB 4.1Å; L226-V228 HydrophobicContact CG-CG1 4.2Å; L226-V228 PolarHBondContact O-N 2.85Å |
| 229 | F | 96.4 | Very high | 94.9 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 6% | 0.061 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 141.3 | 177 | -53.8 | -82 | 0 | 0 | 0 | 109.5 | L204 N205 L206 I227 E281 L345 L431 A432 | L204-F229 PolarHBondContact O-N 2.88Å; N205-F229 CarbonylContact C-O 3.55Å; N205-F229 WeakPolarHBondContact CA-O 3.14Å; L206-F229 PolarHBondContact N-O 3.05Å; I227-F229 HydrophobicContact CG2-CE2 3.67Å; I227-F229 HydrophobicContact CG2-CZ 3.87Å; F229-E281 WeakPolarHBondContact CA-OE2 3.28Å; F229-E281 HydrophobicContact CD1-CG 3.98Å; F229-L345 HydrophobicContact CB-CD2 4.12Å; F229-L345 HydrophobicContact CD1-CD1 4.35Å; F229-L345 HydrophobicContact CD2-CD1 3.46Å; F229-L345 VanDerWaalsContact CD2-CD1 3.46Å; F229-L345 HydrophobicContact CD2-CD2 4.42Å; F229-L345 HydrophobicContact CE1-CD1 4.39Å; F229-L345 HydrophobicContact CE2-CD1 3.52Å; F229-L345 HydrophobicContact CG-CD1 3.89Å; F229-L345 HydrophobicContact CG-CD2 4.22Å; F229-L345 HydrophobicContact CZ-CD1 4Å; F229-L431 HydrophobicContact CE1-CD2 3.99Å; F229-L431 HydrophobicContact CE1-CG 4.01Å; F229-L431 HydrophobicContact CZ-CD2 4.29Å; F229-L431 HydrophobicContact CZ-CG 3.96Å; F229-A432 HydrophobicContact CE2-CB 4.17Å |
| 230 | G | 95.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | E281 I282 | G230-E281 PolarHBondContact N-OE2 3.05Å; G230-E281 PolarHBondContact O-N 2.85Å; G230-I282 PolarHBondContact O-N 3.19Å |
| 231 | E | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 131.8 | 170.3 | -36.9 | -171.4 | 174.3 | 0 | 0 | 109.1 | S42 R166 N205 L206 F208 V209 I282 | S42-E231 PolarHBondContact OG-OE2 2.94Å; R166-E231 IonicContact CZ-OE1 3.74Å; R166-E231 IonicContact CZ-OE2 2.92Å; R166-E231 IonicContact NH1-OE1 3.85Å; R166-E231 PolarHBondContact NH1-OE1 3.26Å; R166-E231 IonicContact NH1-OE2 2.77Å; R166-E231 IonicContact NH2-OE1 2.75Å; R166-E231 PolarHBondContact NH2-OE1 2.83Å; R166-E231 IonicContact NH2-OE2 3.99Å; R166-E231 PolarHBondContact NH2-OE2 3.22Å; N205-E231 VanDerWaalsContact CG-OE1 3.28Å; N205-E231 VanDerWaalsContact ND2-CG 3.29Å; N205-E231 WeakPolarHBondContact ND2-CG 3.27Å; N205-E231 PolarHBondContact ND2-OE1 3.39Å; N205-E231 PolarHBondContact OD1-OE1 3.01Å; N205-E231 VanDerWaalsContact OD1-OE1 3.12Å; L206-E231 PolarHBondContact O-N 3.31Å; F208-E231 PolarHBondContact N-O 3.29Å; V209-E231 PolarHBondContact N-O 3.44Å; E231-I282 VanDerWaalsContact CA-O 3.31Å; E231-I282 WeakPolarHBondContact CA-O 3.23Å; E231-I282 HydrophobicContact CB-CB 4.23Å; E231-I282 HydrophobicContact CG-CB 4.02Å; E231-I282 HydrophobicContact CG-CD1 4.41Å; E231-I282 HydrophobicContact CG-CG2 4.48Å |
| 232 | T | 97 | Very high | 95.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 171.7 | 165.9 | -164 | 0 | 0 | 0 | 0 | 109.7 | V209 L237 L275 I282 V283 S284 | V209-T232 WeakPolarHBondContact O-CB 3.28Å; V209-T232 PolarHBondContact O-OG1 3.4Å; T232-L237 HydrophobicContact CG2-CD2 4Å; T232-L237 HydrophobicContact CG2-CG 4.48Å; T232-L275 HydrophobicContact CG2-CD1 3.9Å; T232-L275 HydrophobicContact CG2-CD2 4.38Å; T232-L275 HydrophobicContact CG2-CG 4.4Å; T232-I282 PolarHBondContact N-O 2.97Å; T232-V283 HydrophobicContact CG2-CG2 4.16Å; T232-V283 WeakPolarHBondContact O-CA 3.26Å; T232-S284 PolarHBondContact O-N 2.91Å |
| 233 | T | 97.4 | Very high | 95.7 | Very high | 9 Ų | 9 | 26.4 Ų | 26.4 | 6% | 0.055 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 152.6 | -178.3 | 62.3 | 0 | 0 | 0 | 0 | 112.7 | F208 A235 C236 L237 S284 | F208-T233 HydrophobicContact CD1-CG2 3.39Å; F208-T233 HydrophobicContact CE1-CG2 3.8Å; F208-T233 HydrophobicContact CG-CG2 4.43Å; T233-A235 PolarHBondContact O-N 3.08Å; T233-C236 WeakPolarHBondContact O-CB 3.46Å; T233-C236 PolarHBondContact O-N 3.01Å; T233-C236 PolarHBondContact OG1-SG 3.16Å; T233-L237 WeakPolarHBondContact O-CG 3.5Å; T233-L237 PolarHBondContact O-N 3.15Å; T233-S284 VanDerWaalsContact CA-O 3.27Å; T233-S284 WeakPolarHBondContact CA-O 3.49Å |
| 234 | A | 97.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -49.9 | -39.4 | 172 | 0 | 0 | 0 | 0 | 0 | 112.6 | C236 L237 A238 S284 R315 | A234-C236 VanDerWaalsContact C-N 3.34Å; A234-C236 PolarHBondContact O-N 3.49Å; A234-L237 PolarHBondContact O-N 3.47Å; A234-A238 WeakPolarHBondContact O-CB 3.24Å; A234-A238 PolarHBondContact O-N 2.89Å; A234-S284 PolarHBondContact N-O 2.87Å; A234-S284 VanDerWaalsContact N-O 3.11Å; A234-R315 HydrophobicContact CB-CB 4.02Å; A234-R315 HydrophobicContact CB-CG 4.23Å |
| 235 | A | 97.6 | Very high | 95.9 | Very high | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.008 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -55.7 | -45.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | T233 L237 A238 V239 L261 V309 I387 Y388 | T233-A235 PolarHBondContact O-N 3.08Å; A235-L237 PolarHBondContact O-N 3.06Å; A235-A238 PolarHBondContact O-N 3.44Å; A235-V239 PolarHBondContact O-N 3.39Å; A235-V239 VanDerWaalsContact O-N 3.16Å; A235-L261 HydrophobicContact CB-CD2 4.05Å; A235-V309 HydrophobicContact CB-CG2 3.87Å; A235-I387 HydrophobicContact CB-CD1 3.42Å; A235-I387 VanDerWaalsContact CB-CD1 3.42Å; A235-Y388 PolarHBondContact N-OH 3.32Å |
| 236 | C | 96.4 | Very high | 96.1 | Very high | 6 Ų | 6 | 27 Ų | 27 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -67.7 | -21.4 | 178.9 | -62.5 | 0 | 0 | 0 | 0 | 113.2 | T233 A234 G268 L271 | T233-C236 WeakPolarHBondContact O-CB 3.46Å; T233-C236 PolarHBondContact O-N 3.01Å; T233-C236 PolarHBondContact OG1-SG 3.16Å; A234-C236 VanDerWaalsContact C-N 3.34Å; A234-C236 PolarHBondContact O-N 3.49Å; C236-G268 VanDerWaalsContact O-CA 3.23Å; C236-G268 WeakPolarHBondContact O-CA 3.47Å; C236-L271 HydrophobicContact CB-CD1 3.77Å |
| 237 | L | 97.3 | Very high | 96.1 | Very high | 6 Ų | 6 | 33.2 Ų | 33.2 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -89.8 | -31.2 | 178.5 | -51.2 | -174 | 0 | 0 | 0 | 111.9 | T232 T233 A234 A235 L271 I272 L275 V283 I318 L319 | T232-L237 HydrophobicContact CG2-CD2 4Å; T232-L237 HydrophobicContact CG2-CG 4.48Å; T233-L237 WeakPolarHBondContact O-CG 3.5Å; T233-L237 PolarHBondContact O-N 3.15Å; A234-L237 PolarHBondContact O-N 3.47Å; A235-L237 PolarHBondContact O-N 3.06Å; L237-L271 HydrophobicContact CD2-CB 3.84Å; L237-L271 HydrophobicContact CD2-CD1 4.4Å; L237-I272 HydrophobicContact CD1-CG1 4.47Å; L237-I272 HydrophobicContact CD2-CG1 3.98Å; L237-L275 HydrophobicContact CD1-CD1 4.3Å; L237-V283 HydrophobicContact CD1-CG1 3.91Å; L237-V283 HydrophobicContact CD1-CG2 4.16Å; L237-I318 HydrophobicContact CB-CG2 4.11Å; L237-L319 HydrophobicContact CD1-CB 4.49Å; L237-L319 HydrophobicContact CD1-CD1 3.64Å |
| 238 | A | 97 | Very high | 96 | Very high | 12 Ų | 12 | 34.7 Ų | 34.7 | 10% | 0.099 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -81.5 | -51 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A234 A235 I318 Y388 I391 | A234-A238 WeakPolarHBondContact O-CB 3.24Å; A234-A238 PolarHBondContact O-N 2.89Å; A235-A238 PolarHBondContact O-N 3.44Å; A238-I318 HydrophobicContact CB-CD1 3.94Å; A238-I318 HydrophobicContact CB-CG1 4.32Å; A238-I318 HydrophobicContact CB-CG2 3.85Å; A238-Y388 HydrophobicContact CB-CD1 3.52Å; A238-Y388 HydrophobicContact CB-CE1 3.54Å; A238-I391 HydrophobicContact CB-CD1 4.01Å |
| 239 | V | 96.8 | Very high | 95.7 | Very high | 30 Ų | 30 | 39.6 Ų | 39.6 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | trans | -136.3 | 170.7 | -167.7 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | A235 L261 I387 I391 | A235-V239 PolarHBondContact O-N 3.39Å; A235-V239 VanDerWaalsContact O-N 3.16Å; V239-L261 HydrophobicContact CG2-CD1 3.82Å; V239-I387 VanDerWaalsContact CG1-O 3.31Å; V239-I387 WeakPolarHBondContact CG1-O 3.44Å; V239-I387 HydrophobicContact CG2-CB 4.21Å; V239-I387 HydrophobicContact CG2-CD1 3.85Å; V239-I387 HydrophobicContact CG2-CG1 4.3Å; V239-I391 HydrophobicContact CG1-CD1 4.19Å | ||
| 240 | N | 95.6 | Very high | 95.4 | Very high | 42 Ų | 42 | 42.3 Ų | 42.3 | 23% | 0.225 | 23% | 0.229 | C | C | . | . | trans | -126.4 | 170.5 | -179.2 | 64.3 | 55.8 | 0 | 0 | 0 | 111.4 | N242 N243 R262 | N240-N242 PolarHBondContact O-N 2.85Å; N240-N242 VanDerWaalsContact OD1-CB 3.22Å; N240-N242 WeakPolarHBondContact OD1-CB 3.31Å; N240-N242 PolarHBondContact OD1-N 3.48Å; N240-N242 PolarHBondContact OD1-ND2 2.88Å; N240-N243 PolarHBondContact O-ND2 3.29Å; N240-R262 WeakPolarHBondContact CB-O 3.27Å | ||
| 241 | G | 94.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | G | 310 helix | trans | -70.2 | -3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N243 Y244 L261 R262 | G241-N243 PolarHBondContact O-N 3.28Å; G241-N243 VanDerWaalsContact O-N 3.16Å; G241-Y244 WeakPolarHBondContact O-CB 3.24Å; G241-Y244 WeakPolarHBondContact O-CD2 3.41Å; G241-Y244 PolarHBondContact O-N 3.47Å; G241-L261 WeakPolarHBondContact CA-O 3.37Å; G241-R262 VanDerWaalsContact N-C 3.33Å; G241-R262 PolarHBondContact N-O 3.47Å |
| 242 | N | 96.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 46 Ų | 46 | 42% | 0.417 | 25% | 0.249 | S | C | . | . | G | 310 helix | trans | -62.7 | -22.6 | 174.5 | -65.5 | -49.8 | 0 | 0 | 0 | 111.9 | N240 Y244 F245 P263 | N240-N242 PolarHBondContact O-N 2.85Å; N240-N242 VanDerWaalsContact OD1-CB 3.22Å; N240-N242 WeakPolarHBondContact OD1-CB 3.31Å; N240-N242 PolarHBondContact OD1-N 3.48Å; N240-N242 PolarHBondContact OD1-ND2 2.88Å; N242-Y244 PolarHBondContact O-N 3.27Å; N242-F245 PolarHBondContact O-N 2.64Å; N242-P263 PolarHBondContact ND2-O 3.41Å; N242-P263 WeakPolarHBondContact OD1-CB 3.35Å |
| 243 | N | 96.1 | Very high | 95.1 | Very high | 36 Ų | 36 | 46.2 Ų | 46.2 | 19% | 0.193 | 25% | 0.25 | C | S | . | . | G | 310 helix | trans | -60.2 | -23.3 | 173.8 | -69.6 | -69.9 | 0 | 0 | 0 | 113.7 | N240 G241 F245 H246 H251 A252 H255 | N240-N243 PolarHBondContact O-ND2 3.29Å; G241-N243 PolarHBondContact O-N 3.28Å; G241-N243 VanDerWaalsContact O-N 3.16Å; N243-F245 PolarHBondContact O-N 3.46Å; N243-H246 VanDerWaalsContact O-CB 3.3Å; N243-H246 WeakPolarHBondContact O-CB 3.41Å; N243-H246 PolarHBondContact O-N 3.43Å; N243-H251 PolarHBondContact OD1-NE2 2.89Å; N243-A252 WeakPolarHBondContact O-CA 3.42Å; N243-H255 HydrophobicContact CB-CB 4.2Å; N243-H255 VanDerWaalsContact CB-CD2 3.4Å; N243-H255 WeakPolarHBondContact CB-CD2 3.29Å; N243-H255 VanDerWaalsContact CB-CG 3.49Å; N243-H255 VanDerWaalsContact CG-NE2 3.31Å |
| 244 | Y | 94.1 | Very high | 95 | Very high | 57 Ų | 57 | 46.2 Ų | 46.2 | 22% | 0.224 | 25% | 0.252 | C | S | . | . | G | 310 helix | trans | -66 | -22.6 | 173.8 | -61.1 | -48.5 | 0 | 0 | 0 | 113.4 | G241 N242 H255 V256 P260 L261 | G241-Y244 WeakPolarHBondContact O-CB 3.24Å; G241-Y244 WeakPolarHBondContact O-CD2 3.41Å; G241-Y244 PolarHBondContact O-N 3.47Å; N242-Y244 PolarHBondContact O-N 3.27Å; Y244-H255 HydrophobicContact CD1-CB 4.06Å; Y244-H255 VanDerWaalsContact CE1-C 3.44Å; Y244-H255 HydrophobicContact CE1-CB 3.63Å; Y244-H255 WeakPolarHBondContact CE1-O 3.48Å; Y244-H255 PolarHBondContact OH-O 3.44Å; Y244-V256 HydrophobicContact CE1-CG2 4.4Å; Y244-P260 HydrophobicContact CE2-CB 3.93Å; Y244-L261 HydrophobicContact CE2-CB 4.03Å; Y244-L261 WeakPolarHBondContact CE2-O 3.38Å; Y244-L261 PolarHBondContact OH-N 3.07Å |
| 245 | F | 94.6 | Very high | 94.9 | Very high | 159 Ų | 159 | 46.4 Ų | 46.4 | 70% | 0.697 | 25% | 0.252 | S | S | * | . | G | 310 helix | trans | -99 | 11.2 | -179.8 | -55.2 | -79.6 | 0 | 0 | 0 | 112.5 | N242 N243 | N242-F245 PolarHBondContact O-N 2.64Å; N243-F245 PolarHBondContact O-N 3.46Å |
| 246 | H | 94.9 | Very high | 94.7 | Very high | 88 Ų | 88 | 47.8 Ų | 47.8 | 41% | 0.407 | 26% | 0.261 | S | S | . | . | trans | -65.5 | 144 | 176.8 | -169.6 | -88.5 | 0 | 0 | 0 | 111.1 | N243 S248 H251 | N243-H246 VanDerWaalsContact O-CB 3.3Å; N243-H246 WeakPolarHBondContact O-CB 3.41Å; N243-H246 PolarHBondContact O-N 3.43Å; H246-S248 VanDerWaalsContact C-N 3.3Å; H246-S248 WeakPolarHBondContact ND1-CB 3.29Å; H246-S248 PolarHBondContact ND1-N 2.77Å; H246-S248 PolarHBondContact O-N 3.01Å; H246-H251 HydrophobicContact CB-CB 4.41Å; H246-H251 VanDerWaalsContact CB-CD2 3.46Å; H246-H251 WeakPolarHBondContact CB-CD2 3.2Å; H246-H251 AromaticContact CD2-CD2 3.87Å; H246-H251 AromaticContact CG-CD2 3.44Å; H246-H251 VanDerWaalsContact CG-CD2 3.44Å; H246-H251 AromaticContact CG-CG 3.77Å; H246-H251 AromaticContact ND1-CD2 3.88Å; H246-H251 AromaticContact ND1-CG 3.72Å | ||
| 247 | T | 94.7 | Very high | 94.5 | Very high | 143 Ų | 143 | 48.6 Ų | 48.6 | 88% | 0.877 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -66.7 | -30.6 | -176.3 | 52.8 | 0 | 0 | 0 | 0 | 113.1 | L249 | T247-L249 PolarHBondContact O-N 2.81Š|
| 248 | S | 92.8 | Very high | 94.1 | Very high | 44 Ų | 44 | 49.2 Ų | 49.2 | 31% | 0.308 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -77.4 | 116.3 | 169.2 | 177.2 | 0 | 0 | 0 | 0 | 111.2 | H246 S250 H251 A252 | H246-S248 VanDerWaalsContact C-N 3.3Å; H246-S248 WeakPolarHBondContact ND1-CB 3.29Å; H246-S248 PolarHBondContact ND1-N 2.77Å; H246-S248 PolarHBondContact O-N 3.01Å; S248-S250 VanDerWaalsContact C-N 3.29Å; S248-S250 PolarHBondContact O-N 3.08Å; S248-S250 PolarHBondContact OG-OG 2.9Å; S248-H251 WeakPolarHBondContact O-CB 3.29Å; S248-H251 PolarHBondContact O-N 3.4Å; S248-A252 PolarHBondContact O-N 3.11Å |
| 249 | L | 89.7 | Confident | 93.7 | Very high | 107 Ų | 107 | 49 Ų | 49 | 56% | 0.56 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -60.1 | -36.9 | 175.6 | -179.6 | 60.5 | 0 | 0 | 0 | 112.5 | T247 H251 A252 A253 A299 | T247-L249 PolarHBondContact O-N 2.81Å; L249-H251 VanDerWaalsContact C-N 3.33Å; L249-H251 PolarHBondContact O-N 2.81Å; L249-A252 PolarHBondContact O-N 3.32Å; L249-A253 WeakPolarHBondContact O-CB 3.47Å; L249-A253 PolarHBondContact O-N 2.94Å; L249-A299 HydrophobicContact CD1-CB 4.38Å; L249-A299 HydrophobicContact CD2-CB 3.76Å; L249-A299 HydrophobicContact CG-CB 4.16Å |
| 250 | S | 91.5 | Very high | 93.4 | Very high | 70 Ų | 70 | 48.5 Ų | 48.5 | 49% | 0.49 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.2 | -39.8 | 178.2 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | S248 A254 | S248-S250 VanDerWaalsContact C-N 3.29Å; S248-S250 PolarHBondContact O-N 3.08Å; S248-S250 PolarHBondContact OG-OG 2.9Å; S250-A254 WeakPolarHBondContact O-CB 3.48Å; S250-A254 PolarHBondContact O-N 2.96Å |
| 251 | H | 93.9 | Very high | 93.3 | Very high | 65 Ų | 65 | 46.7 Ų | 46.7 | 30% | 0.301 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.1 | -49.5 | 174.6 | -175.7 | 96.6 | 0 | 0 | 0 | 111.5 | N243 H246 S248 L249 A253 A254 H255 | N243-H251 PolarHBondContact OD1-NE2 2.89Å; H246-H251 HydrophobicContact CB-CB 4.41Å; H246-H251 VanDerWaalsContact CB-CD2 3.46Å; H246-H251 WeakPolarHBondContact CB-CD2 3.2Å; H246-H251 AromaticContact CD2-CD2 3.87Å; H246-H251 AromaticContact CG-CD2 3.44Å; H246-H251 VanDerWaalsContact CG-CD2 3.44Å; H246-H251 AromaticContact CG-CG 3.77Å; H246-H251 AromaticContact ND1-CD2 3.88Å; H246-H251 AromaticContact ND1-CG 3.72Å; S248-H251 WeakPolarHBondContact O-CB 3.29Å; S248-H251 PolarHBondContact O-N 3.4Å; L249-H251 VanDerWaalsContact C-N 3.33Å; L249-H251 PolarHBondContact O-N 2.81Å; H251-A253 VanDerWaalsContact C-N 3.32Å; H251-A253 PolarHBondContact O-N 3.14Å; H251-A254 WeakPolarHBondContact O-CB 3.22Å; H251-A254 PolarHBondContact O-N 3.42Å; H251-H255 AromaticContact CD2-CE1 3.78Å; H251-H255 AromaticContact CD2-ND1 3.91Å; H251-H255 AromaticContact CE1-CE1 3.67Å; H251-H255 AromaticContact NE2-CE1 3.33Å; H251-H255 PolarHBondContact NE2-CE1 3.04Å; H251-H255 VanDerWaalsContact NE2-CE1 3.33Å; H251-H255 AromaticContact NE2-ND1 3.91Å; H251-H255 PolarHBondContact O-ND1 2.71Å |
| 252 | A | 94.2 | Very high | 93.1 | Very high | 13 Ų | 13 | 47.4 Ų | 47.4 | 11% | 0.107 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60 | -44.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | N243 S248 L249 A254 H255 | N243-A252 WeakPolarHBondContact O-CA 3.42Å; S248-A252 PolarHBondContact O-N 3.11Å; L249-A252 PolarHBondContact O-N 3.32Å; A252-A254 VanDerWaalsContact C-N 3.32Å; A252-A254 PolarHBondContact O-N 3.44Å; A252-H255 PolarHBondContact O-N 2.81Å |
| 253 | A | 93.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 46.6 Ų | 46.6 | 3% | 0.033 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.8 | -31.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L249 H251 H255 V256 R295 I305 | L249-A253 WeakPolarHBondContact O-CB 3.47Å; L249-A253 PolarHBondContact O-N 2.94Å; H251-A253 VanDerWaalsContact C-N 3.32Å; H251-A253 PolarHBondContact O-N 3.14Å; A253-H255 PolarHBondContact O-N 2.86Å; A253-V256 WeakPolarHBondContact O-CB 3.28Å; A253-V256 PolarHBondContact O-N 2.96Å; A253-R295 HydrophobicContact CB-CB 4.1Å; A253-R295 WeakPolarHBondContact O-CD 3.26Å; A253-R295 PolarHBondContact O-NH1 2.86Å; A253-I305 HydrophobicContact CB-CD1 4.2Å; A253-I305 HydrophobicContact CB-CG2 4.49Å |
| 254 | A | 95.1 | Very high | 92.7 | Very high | 10 Ų | 10 | 47 Ų | 47 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63 | -23.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S250 H251 A252 C385 I387 | S250-A254 WeakPolarHBondContact O-CB 3.48Å; S250-A254 PolarHBondContact O-N 2.96Å; H251-A254 WeakPolarHBondContact O-CB 3.22Å; H251-A254 PolarHBondContact O-N 3.42Å; A252-A254 VanDerWaalsContact C-N 3.32Å; A252-A254 PolarHBondContact O-N 3.44Å; A254-C385 HydrophobicContact CB-CB 4.25Å; A254-I387 WeakPolarHBondContact O-CG2 3.5Å |
| 255 | H | 95.6 | Very high | 92.7 | Very high | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.019 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -5 | 179.2 | -68.1 | 75.7 | 0 | 0 | 0 | 113.6 | N243 Y244 H251 A252 A253 T257 L261 I387 | N243-H255 HydrophobicContact CB-CB 4.2Å; N243-H255 VanDerWaalsContact CB-CD2 3.4Å; N243-H255 WeakPolarHBondContact CB-CD2 3.29Å; N243-H255 VanDerWaalsContact CB-CG 3.49Å; N243-H255 VanDerWaalsContact CG-NE2 3.31Å; Y244-H255 HydrophobicContact CD1-CB 4.06Å; Y244-H255 VanDerWaalsContact CE1-C 3.44Å; Y244-H255 HydrophobicContact CE1-CB 3.63Å; Y244-H255 WeakPolarHBondContact CE1-O 3.48Å; Y244-H255 PolarHBondContact OH-O 3.44Å; H251-H255 AromaticContact CD2-CE1 3.78Å; H251-H255 AromaticContact CD2-ND1 3.91Å; H251-H255 AromaticContact CE1-CE1 3.67Å; H251-H255 AromaticContact NE2-CE1 3.33Å; H251-H255 PolarHBondContact NE2-CE1 3.04Å; H251-H255 VanDerWaalsContact NE2-CE1 3.33Å; H251-H255 AromaticContact NE2-ND1 3.91Å; H251-H255 PolarHBondContact O-ND1 2.71Å; A252-H255 PolarHBondContact O-N 2.81Å; A253-H255 PolarHBondContact O-N 2.86Å; H255-T257 PolarHBondContact O-N 3.12Å; H255-L261 HydrophobicContact CB-CD1 4.47Å; H255-I387 HydrophobicContact CB-CG2 4.41Å |
| 256 | V | 93.6 | Very high | 92.7 | Very high | 30 Ų | 30 | 44.5 Ų | 44.5 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | trans | -67.3 | 117.1 | -175.6 | 174.2 | 0 | 0 | 0 | 0 | 110 | Y244 A253 I305 Q307 G308 | Y244-V256 HydrophobicContact CE1-CG2 4.4Å; A253-V256 WeakPolarHBondContact O-CB 3.28Å; A253-V256 PolarHBondContact O-N 2.96Å; V256-I305 HydrophobicContact CB-CG2 3.89Å; V256-I305 HydrophobicContact CG1-CB 4.25Å; V256-I305 HydrophobicContact CG1-CG2 3.93Å; V256-I305 HydrophobicContact CG2-CD1 4.35Å; V256-I305 HydrophobicContact CG2-CG2 4.09Å; V256-Q307 HydrophobicContact CG1-CG 4.21Å; V256-G308 PolarHBondContact O-N 2.87Å | ||
| 257 | T | 92.7 | Very high | 92.6 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 14% | 0.135 | 25% | 0.247 | C | C | . | . | trans | -148.4 | 167.2 | 179 | -170.1 | 0 | 0 | 0 | 0 | 109.3 | H255 P260 L261 | H255-T257 PolarHBondContact O-N 3.12Å; T257-P260 WeakPolarHBondContact O-CA 3.43Å; T257-L261 HydrophobicContact CG2-CG 4.18Å | ||
| 258 | S | 88.3 | Confident | 92.7 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 13% | 0.133 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -132.2 | 128.8 | 178.8 | 162.2 | 0 | 0 | 0 | 0 | 109.6 | H168 E170 | H168-S258 PolarHBondContact CE1-O 3.22Å; H168-S258 PolarHBondContact CE1-OG 2.72Å; H168-S258 PolarHBondContact NE2-OG 2.93Å; H168-S258 VanDerWaalsContact NE2-OG 3.13Å; E170-S258 PolarHBondContact OE2-OG 3.27Å |
| 259 | P | 88.6 | Confident | 92.8 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 5% | 0.045 | 21% | 0.213 | C | C | . | . | S | Bend | cis | -59.6 | 150 | -13.3 | -17.8 | 32.6 | 0 | 0 | 0 | 111.3 | E170 F208 V210 | E170-P259 HydrophobicContact CG-CB 4.42Å; E170-P259 HydrophobicContact CG-CG 4.07Å; E170-P259 WeakPolarHBondContact OE1-CA 3.37Å; E170-P259 VanDerWaalsContact OE1-CB 3.31Å; E170-P259 WeakPolarHBondContact OE1-CB 3.34Å; F208-P259 VanDerWaalsContact CB-CD 3.43Å; F208-P259 HydrophobicContact CB-CG 4.13Å; V210-P259 HydrophobicContact CG1-CB 3.88Å; V210-P259 HydrophobicContact CG1-CG 4.26Å; V210-P259 HydrophobicContact CG2-CB 3.83Å |
| 260 | P | 90.5 | Very high | 93.1 | Very high | 20 Ų | 20 | 31.2 Ų | 31.2 | 13% | 0.13 | 19% | 0.194 | C | C | . | . | P | Polyproline II helix | trans | -71.5 | 158.4 | -176.4 | 29.7 | -35.5 | 0 | 0 | 0 | 112.4 | E182 Y244 T257 | E182-P260 WeakPolarHBondContact OE1-CD 3.43Å; E182-P260 WeakPolarHBondContact OE1-CG 3.21Å; E182-P260 WeakPolarHBondContact OE2-CG 3.23Å; Y244-P260 HydrophobicContact CE2-CB 3.93Å; T257-P260 WeakPolarHBondContact O-CA 3.43Å |
| 261 | L | 93 | Very high | 93.3 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | P | Polyproline II helix | trans | -63.4 | 141.8 | 174 | -60.3 | 172 | 0 | 0 | 0 | 110.1 | A235 V239 G241 Y244 H255 T257 | A235-L261 HydrophobicContact CB-CD2 4.05Å; V239-L261 HydrophobicContact CG2-CD1 3.82Å; G241-L261 WeakPolarHBondContact CA-O 3.37Å; Y244-L261 HydrophobicContact CE2-CB 4.03Å; Y244-L261 WeakPolarHBondContact CE2-O 3.38Å; Y244-L261 PolarHBondContact OH-N 3.07Å; H255-L261 HydrophobicContact CB-CD1 4.47Å; T257-L261 HydrophobicContact CG2-CG 4.18Å |
| 262 | R | 91.5 | Very high | 93.5 | Very high | 16 Ų | 16 | 24.9 Ų | 24.9 | 6% | 0.06 | 16% | 0.157 | C | C | . | . | P | Polyproline II helix | trans | -89 | 135.9 | -178.5 | -57.9 | -56.1 | 173.8 | -174.6 | -2.7 | 110.8 | E182 T186 V210 N211 N240 G241 D264 I267 | E182-R262 IonicContact OE2-CZ 3.34Å; E182-R262 IonicContact OE2-NH1 3.29Å; E182-R262 PolarHBondContact OE2-NH1 3.3Å; E182-R262 IonicContact OE2-NH2 3.99Å; T186-R262 PolarHBondContact OG1-NH2 3Å; V210-R262 HydrophobicContact CG2-CG 4.38Å; V210-R262 VanDerWaalsContact O-CG 3.3Å; V210-R262 WeakPolarHBondContact O-CG 3.5Å; N211-R262 HydrophobicContact CB-CG 4.04Å; N240-R262 WeakPolarHBondContact CB-O 3.27Å; G241-R262 VanDerWaalsContact N-C 3.33Å; G241-R262 PolarHBondContact N-O 3.47Å; R262-D264 VanDerWaalsContact C-N 3.25Å; R262-D264 PolarHBondContact O-N 3.36Å; R262-I267 HydrophobicContact CB-CG1 4.02Å |
| 263 | P | 92.7 | Very high | 93.6 | Very high | 60 Ų | 60 | 31.5 Ų | 31.5 | 39% | 0.39 | 18% | 0.179 | S | C | . | . | S | Bend | trans | -69.6 | -21.6 | -177.6 | 25.8 | -32.6 | 0 | 0 | 0 | 113.1 | N242 P265 | N242-P263 PolarHBondContact ND2-O 3.41Å; N242-P263 WeakPolarHBondContact OD1-CB 3.35Å; P263-P265 VanDerWaalsContact O-CD 3.22Å; P263-P265 WeakPolarHBondContact O-CD 3.33Å; P263-P265 VanDerWaalsContact O-N 3.1Å |
| 264 | D | 91.8 | Very high | 93.7 | Very high | 46 Ų | 46 | 33.4 Ų | 33.4 | 25% | 0.246 | 19% | 0.186 | C | C | . | . | trans | -59.2 | 111.5 | 172.6 | 176.2 | -3.4 | 0 | 0 | 0 | 109.9 | K212 R262 T266 I267 | K212-D264 IonicContact NZ-OD2 2.65Å; K212-D264 PolarHBondContact NZ-OD2 3.23Å; R262-D264 VanDerWaalsContact C-N 3.25Å; R262-D264 PolarHBondContact O-N 3.36Å; D264-T266 VanDerWaalsContact CG-OG1 3.23Å; D264-T266 PolarHBondContact O-N 2.88Å; D264-T266 VanDerWaalsContact O-N 3.15Å; D264-T266 VanDerWaalsContact OD1-CB 3.31Å; D264-T266 WeakPolarHBondContact OD1-CB 3.48Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.45Å; D264-T266 PolarHBondContact OD1-N 2.97Å; D264-T266 PolarHBondContact OD1-OG1 2.85Å; D264-T266 PolarHBondContact OD2-OG1 3Å; D264-I267 HydrophobicContact CB-CD1 4.4Å; D264-I267 HydrophobicContact CB-CG1 3.73Å; D264-I267 WeakPolarHBondContact O-CB 3.33Å; D264-I267 VanDerWaalsContact O-CG1 3.26Å; D264-I267 WeakPolarHBondContact O-CG1 3.5Å; D264-I267 PolarHBondContact O-N 3.12Å | ||
| 265 | P | 92.9 | Very high | 93.7 | Very high | 86 Ų | 86 | 32.9 Ų | 32.9 | 56% | 0.558 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.8 | -12.1 | -175.8 | 30.3 | -36.1 | 0 | 0 | 0 | 112.9 | P263 I267 | P263-P265 VanDerWaalsContact O-CD 3.22Å; P263-P265 WeakPolarHBondContact O-CD 3.33Å; P263-P265 VanDerWaalsContact O-N 3.1Å; P265-I267 VanDerWaalsContact C-N 3.3Å |
| 266 | T | 94.1 | Very high | 93.8 | Very high | 76 Ų | 76 | 34.6 Ų | 34.6 | 47% | 0.466 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -11.6 | 179.5 | 72.8 | 0 | 0 | 0 | 0 | 113.1 | D264 G268 N269 G270 | D264-T266 VanDerWaalsContact CG-OG1 3.23Å; D264-T266 PolarHBondContact O-N 2.88Å; D264-T266 VanDerWaalsContact O-N 3.15Å; D264-T266 VanDerWaalsContact OD1-CB 3.31Å; D264-T266 WeakPolarHBondContact OD1-CB 3.48Å; D264-T266 WeakPolarHBondContact OD1-CG2 3.45Å; D264-T266 PolarHBondContact OD1-N 2.97Å; D264-T266 PolarHBondContact OD1-OG1 2.85Å; D264-T266 PolarHBondContact OD2-OG1 3Å; T266-G268 PolarHBondContact O-N 3.25Å; T266-N269 PolarHBondContact O-N 3.31Å; T266-G270 PolarHBondContact O-N 2.9Å |
| 267 | I | 94.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.3 | -47.4 | -173.8 | -68.6 | -69.8 | 0 | 0 | 0 | 112.1 | V210 N211 K212 R262 D264 P265 N269 G270 L271 | V210-I267 VanDerWaalsContact O-CG2 3.26Å; V210-I267 WeakPolarHBondContact O-CG2 3.35Å; N211-I267 HydrophobicContact CB-CD1 4.42Å; K212-I267 HydrophobicContact CB-CD1 4.27Å; K212-I267 HydrophobicContact CD-CD1 4.07Å; K212-I267 HydrophobicContact CG-CD1 4.08Å; R262-I267 HydrophobicContact CB-CG1 4.02Å; D264-I267 HydrophobicContact CB-CD1 4.4Å; D264-I267 HydrophobicContact CB-CG1 3.73Å; D264-I267 WeakPolarHBondContact O-CB 3.33Å; D264-I267 VanDerWaalsContact O-CG1 3.26Å; D264-I267 WeakPolarHBondContact O-CG1 3.5Å; D264-I267 PolarHBondContact O-N 3.12Å; P265-I267 VanDerWaalsContact C-N 3.3Å; I267-N269 PolarHBondContact O-N 2.9Å; I267-G270 CarbonylContact O-C 3.46Å; I267-G270 WeakPolarHBondContact O-CA 3.45Å; I267-G270 PolarHBondContact O-N 3.48Å; I267-G270 VanDerWaalsContact O-N 3.07Å; I267-L271 HydrophobicContact CG2-CD1 3.7Å; I267-L271 HydrophobicContact CG2-CG 4.23Å; I267-L271 VanDerWaalsContact O-CG 3.32Å; I267-L271 WeakPolarHBondContact O-CG 3.33Å; I267-L271 PolarHBondContact O-N 2.96Å |
| 268 | G | 95.9 | Very high | 93.9 | Very high | 10 Ų | 10 | 36.7 Ų | 36.7 | 10% | 0.103 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -56.5 | -51.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | C236 T266 G270 L271 I272 | C236-G268 VanDerWaalsContact O-CA 3.23Å; C236-G268 WeakPolarHBondContact O-CA 3.47Å; T266-G268 PolarHBondContact O-N 3.25Å; G268-G270 VanDerWaalsContact C-N 3.3Å; G268-G270 PolarHBondContact O-N 3.33Å; G268-L271 PolarHBondContact O-N 3.01Å; G268-L271 VanDerWaalsContact O-N 3.17Å; G268-I272 WeakPolarHBondContact O-CG1 3.38Å; G268-I272 PolarHBondContact O-N 2.49Å |
| 269 | N | 96 | Very high | 94.1 | Very high | 70 Ų | 70 | 38.6 Ų | 38.6 | 37% | 0.374 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -61.1 | -39.4 | 175.5 | -70.7 | -3.9 | 0 | 0 | 0 | 111.9 | T266 I267 L271 I272 R273 M328 | T266-N269 PolarHBondContact O-N 3.31Å; I267-N269 PolarHBondContact O-N 2.9Å; N269-L271 VanDerWaalsContact C-N 3.33Å; N269-L271 PolarHBondContact O-N 3.48Å; N269-I272 PolarHBondContact O-N 3.5Å; N269-R273 WeakPolarHBondContact O-CG 3.24Å; N269-R273 PolarHBondContact O-N 3.09Å; N269-M328 HydrophobicContact CB-CE 4Å; N269-M328 HydrophobicContact CB-SD 4.4Å; N269-M328 WeakPolarHBondContact O-CE 3.47Å |
| 270 | G | 95.5 | Very high | 94.5 | Very high | 16 Ų | 16 | 38.3 Ų | 38.3 | 17% | 0.165 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | T266 I267 G268 R274 | T266-G270 PolarHBondContact O-N 2.9Å; I267-G270 CarbonylContact O-C 3.46Å; I267-G270 WeakPolarHBondContact O-CA 3.45Å; I267-G270 PolarHBondContact O-N 3.48Å; I267-G270 VanDerWaalsContact O-N 3.07Å; G268-G270 VanDerWaalsContact C-N 3.3Å; G268-G270 PolarHBondContact O-N 3.33Å; G270-R274 WeakPolarHBondContact O-CG 3.32Å; G270-R274 PolarHBondContact O-N 3.45Å |
| 271 | L | 96.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -69.9 | -40.1 | 176.4 | -66.4 | 166.3 | 0 | 0 | 0 | 111.3 | V209 A215 C236 L237 I267 G268 N269 R273 R274 L275 L280 | V209-L271 HydrophobicContact CG1-CD2 4.17Å; A215-L271 HydrophobicContact CB-CD2 4.42Å; C236-L271 HydrophobicContact CB-CD1 3.77Å; L237-L271 HydrophobicContact CD2-CB 3.84Å; L237-L271 HydrophobicContact CD2-CD1 4.4Å; I267-L271 HydrophobicContact CG2-CD1 3.7Å; I267-L271 HydrophobicContact CG2-CG 4.23Å; I267-L271 VanDerWaalsContact O-CG 3.32Å; I267-L271 WeakPolarHBondContact O-CG 3.33Å; I267-L271 PolarHBondContact O-N 2.96Å; G268-L271 PolarHBondContact O-N 3.01Å; G268-L271 VanDerWaalsContact O-N 3.17Å; N269-L271 VanDerWaalsContact C-N 3.33Å; N269-L271 PolarHBondContact O-N 3.48Å; L271-R273 PolarHBondContact O-N 3.43Å; L271-R274 WeakPolarHBondContact O-CB 3.18Å; L271-R274 PolarHBondContact O-N 2.62Å; L271-R274 VanDerWaalsContact O-N 3.1Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 2.9Å; L271-L280 HydrophobicContact CD2-CD1 3.73Å |
| 272 | I | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 174.9 | -64.8 | 173 | 0 | 0 | 0 | 111.5 | L237 G268 N269 R274 L275 A276 K322 M328 | L237-I272 HydrophobicContact CD1-CG1 4.47Å; L237-I272 HydrophobicContact CD2-CG1 3.98Å; G268-I272 WeakPolarHBondContact O-CG1 3.38Å; G268-I272 PolarHBondContact O-N 2.49Å; N269-I272 PolarHBondContact O-N 3.5Å; I272-R274 PolarHBondContact O-N 3.37Å; I272-L275 WeakPolarHBondContact O-CB 2.98Å; I272-L275 PolarHBondContact O-N 3.05Å; I272-A276 WeakPolarHBondContact O-CB 3.47Å; I272-A276 PolarHBondContact O-N 3.3Å; I272-K322 HydrophobicContact CD1-CB 3.57Å; I272-K322 WeakPolarHBondContact CD1-O 3.5Å; I272-M328 HydrophobicContact CB-CE 4.1Å; I272-M328 HydrophobicContact CG2-CB 3.72Å; I272-M328 HydrophobicContact CG2-CE 4.08Å; I272-M328 HydrophobicContact CG2-SD 4.49Å |
| 273 | R | 96 | Very high | 95.3 | Very high | 152 Ų | 152 | 37.8 Ų | 37.8 | 57% | 0.574 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -60.1 | -34.4 | 176 | -66.7 | -175 | -169.4 | 115.4 | -0.4 | 112.6 | N269 L271 A276 S277 M328 | N269-R273 WeakPolarHBondContact O-CG 3.24Å; N269-R273 PolarHBondContact O-N 3.09Å; L271-R273 PolarHBondContact O-N 3.43Å; R273-A276 WeakPolarHBondContact O-CB 3.33Å; R273-A276 PolarHBondContact O-N 3.15Å; R273-S277 PolarHBondContact O-N 3.34Å; R273-S277 PolarHBondContact O-OG 3.21Å; R273-M328 HydrophobicContact CG-CE 3.34Å |
| 274 | R | 95.8 | Very high | 95.6 | Very high | 44 Ų | 44 | 34.9 Ų | 34.9 | 17% | 0.166 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77.2 | -32.5 | 178.2 | -68 | 179.5 | -172.4 | -85.6 | 0.1 | 112.8 | K212 K216 G270 L271 I272 A276 S277 G278 E279 L280 | K212-R274 PolarHBondContact O-NH2 3.26Å; K216-R274 VanDerWaalsContact CA-NH1 3.34Å; G270-R274 WeakPolarHBondContact O-CG 3.32Å; G270-R274 PolarHBondContact O-N 3.45Å; L271-R274 WeakPolarHBondContact O-CB 3.18Å; L271-R274 PolarHBondContact O-N 2.62Å; L271-R274 VanDerWaalsContact O-N 3.1Å; I272-R274 PolarHBondContact O-N 3.37Å; R274-A276 VanDerWaalsContact C-N 3.31Å; R274-S277 PolarHBondContact O-OG 3.48Å; R274-G278 PolarHBondContact O-N 2.94Å; R274-G278 VanDerWaalsContact O-N 3.16Å; R274-E279 HydrophobicContact CB-CB 4.01Å; R274-E279 HydrophobicContact CG-CB 4.36Å; R274-E279 IonicContact CZ-OE2 2.91Å; R274-E279 IonicContact NH1-OE2 3.76Å; R274-E279 PolarHBondContact NH1-OE2 3.49Å; R274-E279 PolarHBondContact O-N 3.46Å; R274-L280 HydrophobicContact CB-CD1 4.11Å; R274-L280 HydrophobicContact CB-CG 4.08Å; R274-L280 PolarHBondContact O-N 2.73Å; R274-L280 VanDerWaalsContact O-N 3.07Å |
| 275 | L | 96.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.8 | -43.9 | 166.6 | -70.6 | 164.8 | 0 | 0 | 0 | 109.8 | T232 L237 L271 I272 G278 L280 V283 L319 R333 V337 | T232-L275 HydrophobicContact CG2-CD1 3.9Å; T232-L275 HydrophobicContact CG2-CD2 4.38Å; T232-L275 HydrophobicContact CG2-CG 4.4Å; L237-L275 HydrophobicContact CD1-CD1 4.3Å; L271-L275 WeakPolarHBondContact O-CG 3.42Å; L271-L275 PolarHBondContact O-N 2.9Å; I272-L275 WeakPolarHBondContact O-CB 2.98Å; I272-L275 PolarHBondContact O-N 3.05Å; L275-G278 PolarHBondContact O-N 3.37Å; L275-L280 HydrophobicContact CD2-CB 3.71Å; L275-L280 HydrophobicContact CG-CB 4.14Å; L275-V283 HydrophobicContact CD1-CG2 3.37Å; L275-V283 HydrophobicContact CD2-CG2 3.78Å; L275-V283 HydrophobicContact CG-CG2 4.23Å; L275-L319 HydrophobicContact CD1-CD1 4.24Å; L275-R333 VanDerWaalsContact O-CZ 3.23Å; L275-R333 PolarHBondContact O-NE 3.08Å; L275-R333 PolarHBondContact O-NH2 3.16Å; L275-V337 HydrophobicContact CB-CG1 4.36Å; L275-V337 HydrophobicContact CD2-CB 4.21Å; L275-V337 HydrophobicContact CD2-CG1 4.06Å |
| 276 | A | 97 | Very high | 96 | Very high | 40 Ų | 40 | 29 Ų | 29 | 33% | 0.331 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | I272 R273 R274 G278 M328 L329 | I272-A276 WeakPolarHBondContact O-CB 3.47Å; I272-A276 PolarHBondContact O-N 3.3Å; R273-A276 WeakPolarHBondContact O-CB 3.33Å; R273-A276 PolarHBondContact O-N 3.15Å; R274-A276 VanDerWaalsContact C-N 3.31Å; A276-G278 VanDerWaalsContact C-N 3.29Å; A276-G278 PolarHBondContact O-N 2.82Å; A276-M328 VanDerWaalsContact CB-O 3.27Å; A276-M328 WeakPolarHBondContact CB-O 3.26Å; A276-L329 HydrophobicContact CB-CD1 3.78Å |
| 277 | S | 94.7 | Very high | 96.2 | Very high | 69 Ų | 69 | 25.4 Ų | 25.4 | 48% | 0.483 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -75.5 | -11.9 | 179.5 | 68.4 | 0 | 0 | 0 | 0 | 114.8 | R273 R274 E279 | R273-S277 PolarHBondContact O-N 3.34Å; R273-S277 PolarHBondContact O-OG 3.21Å; R274-S277 PolarHBondContact O-OG 3.48Å; S277-E279 WeakPolarHBondContact OG-CG 3.34Å; S277-E279 PolarHBondContact OG-OE1 3.18Å; S277-E279 VanDerWaalsContact OG-OE1 3.05Å |
| 278 | G | 93 | Very high | 96.4 | Very high | 26 Ų | 26 | 25.4 Ų | 25.4 | 27% | 0.268 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 84.1 | 11.2 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | R274 L275 A276 L280 | R274-G278 PolarHBondContact O-N 2.94Å; R274-G278 VanDerWaalsContact O-N 3.16Å; L275-G278 PolarHBondContact O-N 3.37Å; A276-G278 VanDerWaalsContact C-N 3.29Å; A276-G278 PolarHBondContact O-N 2.82Å; G278-L280 VanDerWaalsContact C-N 3.34Å |
| 279 | E | 93.5 | Very high | 96.4 | Very high | 60 Ų | 60 | 25 Ų | 25 | 28% | 0.28 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -74.2 | -28.3 | 172.2 | -71.2 | 173.9 | -132.8 | 0 | 0 | 112.8 | A219 K222 R274 S277 | A219-E279 HydrophobicContact CB-CB 4.1Å; A219-E279 HydrophobicContact CB-CG 3.75Å; K222-E279 PolarHBondContact NZ-O 3.05Å; R274-E279 HydrophobicContact CB-CB 4.01Å; R274-E279 HydrophobicContact CG-CB 4.36Å; R274-E279 IonicContact CZ-OE2 2.91Å; R274-E279 IonicContact NH1-OE2 3.76Å; R274-E279 PolarHBondContact NH1-OE2 3.49Å; R274-E279 PolarHBondContact O-N 3.46Å; S277-E279 WeakPolarHBondContact OG-CG 3.34Å; S277-E279 PolarHBondContact OG-OE1 3.18Å; S277-E279 VanDerWaalsContact OG-OE1 3.05Å |
| 280 | L | 95.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | S | Bend | trans | -117.3 | 145.8 | 167.1 | -65.1 | 177.2 | 0 | 0 | 0 | 109.7 | V209 A215 L271 R274 L275 G278 R333 | V209-L280 HydrophobicContact CB-CD2 4.18Å; V209-L280 HydrophobicContact CG1-CD1 4.34Å; V209-L280 HydrophobicContact CG1-CD2 4.08Å; V209-L280 HydrophobicContact CG2-CD2 4.06Å; A215-L280 HydrophobicContact CB-CD1 4.19Å; A215-L280 HydrophobicContact CB-CD2 4.22Å; A215-L280 HydrophobicContact CB-CG 4.33Å; L271-L280 HydrophobicContact CD2-CD1 3.73Å; R274-L280 HydrophobicContact CB-CD1 4.11Å; R274-L280 HydrophobicContact CB-CG 4.08Å; R274-L280 PolarHBondContact O-N 2.73Å; R274-L280 VanDerWaalsContact O-N 3.07Å; L275-L280 HydrophobicContact CD2-CB 3.71Å; L275-L280 HydrophobicContact CG-CB 4.14Å; G278-L280 VanDerWaalsContact C-N 3.34Å; L280-R333 PolarHBondContact O-NH2 3.23Å |
| 281 | E | 96.4 | Very high | 96.5 | Very high | 29 Ų | 29 | 22.9 Ų | 22.9 | 14% | 0.136 | 12% | 0.124 | C | C | . | . | trans | -104 | -38.7 | -169.5 | -78.5 | 73.1 | -151.2 | 0 | 0 | 114 | K222 F229 G230 V337 N341 | K222-E281 IonicContact NZ-OE1 2.9Å; K222-E281 PolarHBondContact NZ-OE1 2.89Å; K222-E281 IonicContact NZ-OE2 2.8Å; K222-E281 PolarHBondContact NZ-OE2 3.44Å; F229-E281 WeakPolarHBondContact CA-OE2 3.28Å; F229-E281 HydrophobicContact CD1-CG 3.98Å; G230-E281 PolarHBondContact N-OE2 3.05Å; G230-E281 PolarHBondContact O-N 2.85Å; E281-V337 WeakPolarHBondContact O-CA 3.38Å; E281-V337 WeakPolarHBondContact O-CG1 3.33Å; E281-N341 HydrophobicContact CB-CB 4.44Å; E281-N341 WeakPolarHBondContact O-CB 3.34Å; E281-N341 PolarHBondContact O-ND2 3.24Å | ||
| 282 | I | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 142.6 | -165.1 | -61.4 | 167 | 0 | 0 | 0 | 110.3 | S42 G230 E231 T232 V337 N341 A342 L345 | S42-I282 VanDerWaalsContact OG-CG2 3.31Å; S42-I282 WeakPolarHBondContact OG-CG2 3.3Å; G230-I282 PolarHBondContact O-N 3.19Å; E231-I282 VanDerWaalsContact CA-O 3.31Å; E231-I282 WeakPolarHBondContact CA-O 3.23Å; E231-I282 HydrophobicContact CB-CB 4.23Å; E231-I282 HydrophobicContact CG-CB 4.02Å; E231-I282 HydrophobicContact CG-CD1 4.41Å; E231-I282 HydrophobicContact CG-CG2 4.48Å; T232-I282 PolarHBondContact N-O 2.97Å; I282-V337 WeakPolarHBondContact CA-O 3.02Å; I282-N341 HydrophobicContact CG1-CB 4.04Å; I282-A342 HydrophobicContact CD1-CB 4.01Å; I282-A342 HydrophobicContact CG1-CB 4.38Å; I282-L345 HydrophobicContact CD1-CB 4.47Å; I282-L345 HydrophobicContact CD1-CD2 3.69Å |
| 283 | V | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 112 | 162.8 | -174.9 | 0 | 0 | 0 | 0 | 108.1 | T232 L237 L275 R315 L319 V337 | T232-V283 HydrophobicContact CG2-CG2 4.16Å; T232-V283 WeakPolarHBondContact O-CA 3.26Å; L237-V283 HydrophobicContact CD1-CG1 3.91Å; L237-V283 HydrophobicContact CD1-CG2 4.16Å; L275-V283 HydrophobicContact CD1-CG2 3.37Å; L275-V283 HydrophobicContact CD2-CG2 3.78Å; L275-V283 HydrophobicContact CG-CG2 4.23Å; V283-R315 HydrophobicContact CG1-CG 4.1Å; V283-R315 WeakPolarHBondContact O-CD 3.39Å; V283-R315 PolarHBondContact O-NH1 2.97Å; V283-L319 HydrophobicContact CB-CD2 4.4Å; V283-L319 HydrophobicContact CG2-CD1 4.27Å; V283-L319 HydrophobicContact CG2-CD2 3.97Å; V283-V337 HydrophobicContact CG2-CB 4.42Å; V283-V337 HydrophobicContact CG2-CG2 4.12Å; V283-V337 PolarHBondContact N-O 3.11Å |
| 284 | S | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 168.7 | 171.9 | 67.9 | 0 | 0 | 0 | 0 | 110.6 | D41 T232 T233 A234 R315 | D41-S284 WeakPolarHBondContact OD1-CA 3.26Å; D41-S284 WeakPolarHBondContact OD1-CB 3Å; T232-S284 PolarHBondContact O-N 2.91Å; T233-S284 VanDerWaalsContact CA-O 3.27Å; T233-S284 WeakPolarHBondContact CA-O 3.49Å; A234-S284 PolarHBondContact N-O 2.87Å; A234-S284 VanDerWaalsContact N-O 3.11Å; S284-R315 VanDerWaalsContact C-CD 3.41Å |
| 285 | S | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | trans | -78.7 | -40 | 169.2 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | D41 H43 H287 G311 | D41-S285 VanDerWaalsContact CG-OG 3.32Å; D41-S285 PolarHBondContact OD1-N 3.37Å; D41-S285 PolarHBondContact OD1-OG 3.42Å; D41-S285 WeakPolarHBondContact OD2-CB 3.46Å; D41-S285 PolarHBondContact OD2-N 2.87Å; D41-S285 PolarHBondContact OD2-OG 3.34Å; H43-S285 PolarHBondContact O-OG 3.18Å; S285-H287 WeakPolarHBondContact OG-CB 3.35Å; S285-H287 PolarHBondContact OG-N 3.22Å; S285-G311 VanDerWaalsContact CB-O 3.32Å; S285-G311 WeakPolarHBondContact CB-O 3.32Å | ||
| 286 | G | 95.7 | Very high | 95.5 | Very high | 7 Ų | 7 | 26.5 Ų | 26.5 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | trans | 66.3 | 23.5 | -163.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H43 C288 | H43-G286 VanDerWaalsContact O-CA 3.24Å; H43-G286 WeakPolarHBondContact O-CA 3.49Å; H43-G286 PolarHBondContact O-N 3.33Å; G286-C288 PolarHBondContact O-N 3.43Å | ||
| 287 | H | 98.1 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -61.1 | 122.7 | -166.4 | -176.5 | 100.3 | 0 | 0 | 0 | 111.7 | H45 F46 D57 S285 V309 T310 G311 A312 | H45-H287 WeakPolarHBondContact CB-O 3.46Å; H45-H287 PolarHBondContact N-O 2.86Å; F46-H287 AromaticContact CD1-CD2 3.83Å; F46-H287 HydrophobicContact CE1-CB 4.41Å; F46-H287 AromaticContact CE1-CD2 3.51Å; D57-H287 IonicContact OD2-CE1 3.99Å; D57-H287 PolarHBondContact OD2-CE1 2.69Å; D57-H287 IonicContact OD2-NE2 2.86Å; D57-H287 PolarHBondContact OD2-NE2 3.13Å; D57-H287 VanDerWaalsContact OD2-NE2 3.12Å; S285-H287 WeakPolarHBondContact OG-CB 3.35Å; S285-H287 PolarHBondContact OG-N 3.22Å; H287-V309 WeakPolarHBondContact CA-O 3.43Å; H287-T310 WeakPolarHBondContact ND1-CA 3.34Å; H287-G311 PolarHBondContact ND1-N 2.96Å; H287-A312 HydrophobicContact CB-CB 4.04Å; H287-A312 PolarHBondContact ND1-N 3.5Å |
| 288 | C | 97.3 | Very high | 93.9 | Very high | 9 Ų | 9 | 29.4 Ų | 29.4 | 6% | 0.061 | 16% | 0.16 | C | C | . | . | trans | -153.5 | 86.6 | 176.5 | -173.3 | 0 | 0 | 0 | 0 | 108.1 | H45 C48 G286 F290 G308 V309 | H45-C288 HydrophobicContact CB-CB 4.07Å; C48-C288 PolarHBondContact SG-SG 3.04Å; G286-C288 PolarHBondContact O-N 3.43Å; C288-F290 HydrophobicContact CB-CE2 4.48Å; C288-F290 WeakPolarHBondContact O-CD2 3.22Å; C288-F290 WeakPolarHBondContact SG-CE2 3.47Å; C288-F290 VanDerWaalsContact SG-CZ 3.58Å; C288-G308 CarbonylContact O-C 3.48Å; C288-G308 WeakPolarHBondContact O-CA 3.5Å; C288-V309 PolarHBondContact N-O 2.8Å; C288-V309 PolarHBondContact O-N 2.85Å; C288-V309 VanDerWaalsContact O-N 3.11Å | ||
| 289 | A | 97.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | -81 | 137.2 | -170 | 0 | 0 | 0 | 0 | 0 | 113.4 | S55 V56 D57 T310 A383 | S55-A289 CarbonylContact C-O 3.29Å; S55-A289 WeakPolarHBondContact CA-O 3.38Å; S55-A289 VanDerWaalsContact CB-O 3.27Å; S55-A289 WeakPolarHBondContact CB-O 3.45Å; V56-A289 HydrophobicContact CG2-CB 3.69Å; V56-A289 PolarHBondContact N-O 3.35Å; D57-A289 HydrophobicContact CB-CB 4.22Å; D57-A289 VanDerWaalsContact OD2-CB 3.28Å; D57-A289 WeakPolarHBondContact OD2-CB 3.38Å; A289-T310 HydrophobicContact CB-CG2 4.01Å; A289-A383 HydrophobicContact CB-CB 4.19Å | ||
| 290 | F | 97 | Very high | 92 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 0% | 0.004 | 18% | 0.18 | C | C | . | . | trans | -140.3 | 141.1 | 171.7 | -59.8 | -81.9 | 0 | 0 | 0 | 110.6 | S50 I53 C288 Q294 R295 P306 Q307 C385 | S50-F290 VanDerWaalsContact CB-CZ 3.44Å; I53-F290 HydrophobicContact CB-CE1 4.41Å; I53-F290 HydrophobicContact CG2-CD1 3.9Å; I53-F290 HydrophobicContact CG2-CE1 4Å; C288-F290 HydrophobicContact CB-CE2 4.48Å; C288-F290 WeakPolarHBondContact O-CD2 3.22Å; C288-F290 WeakPolarHBondContact SG-CE2 3.47Å; C288-F290 VanDerWaalsContact SG-CZ 3.58Å; F290-Q294 HydrophobicContact CB-CB 4.5Å; F290-R295 HydrophobicContact CB-CG 4.37Å; F290-R295 PolarHBondContact O-NE 3.34Å; F290-P306 HydrophobicContact CB-CG 4.13Å; F290-P306 HydrophobicContact CD1-CB 3.68Å; F290-P306 HydrophobicContact CD1-CG 3.88Å; F290-P306 HydrophobicContact CD2-CB 3.87Å; F290-P306 HydrophobicContact CD2-CG 4.22Å; F290-P306 HydrophobicContact CE1-CB 3.67Å; F290-P306 HydrophobicContact CE1-CG 4.38Å; F290-P306 HydrophobicContact CE2-CB 3.86Å; F290-P306 HydrophobicContact CG-CB 3.8Å; F290-P306 HydrophobicContact CG-CG 3.81Å; F290-P306 HydrophobicContact CZ-CB 3.8Å; F290-Q307 WeakPolarHBondContact CE2-O 3.32Å; F290-C385 PolarHBondContact O-SG 2.97Å | ||
| 291 | N | 96.7 | Very high | 91.4 | Very high | 42 Ų | 42 | 32.9 Ų | 32.9 | 23% | 0.225 | 19% | 0.192 | C | C | . | . | trans | -73.8 | 158.4 | 176.6 | -76.6 | -10.3 | 0 | 0 | 0 | 112.7 | V56 E293 Q294 R295 K382 A383 D384 | V56-N291 HydrophobicContact CG1-CB 4.38Å; N291-E293 PolarHBondContact O-N 3.35Å; N291-Q294 HydrophobicContact CB-CG 4.45Å; N291-Q294 WeakPolarHBondContact O-CB 3.19Å; N291-Q294 PolarHBondContact O-N 3.36Å; N291-Q294 VanDerWaalsContact O-N 3.1Å; N291-R295 WeakPolarHBondContact O-CG 3.16Å; N291-R295 PolarHBondContact O-N 2.97Å; N291-R295 VanDerWaalsContact O-N 3.16Å; N291-K382 PolarHBondContact OD1-O 3.36Å; N291-A383 WeakPolarHBondContact OD1-CA 3.35Å; N291-D384 WeakPolarHBondContact CA-OD1 3.44Å; N291-D384 PolarHBondContact OD1-N 3.25Å | ||
| 292 | S | 94.1 | Very high | 90.8 | Very high | 46 Ų | 46 | 38.7 Ų | 38.7 | 32% | 0.322 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.3 | -38.5 | 176.9 | 69.8 | 0 | 0 | 0 | 0 | 111.6 | R295 S296 D384 | S292-R295 PolarHBondContact O-N 2.93Å; S292-S296 WeakPolarHBondContact O-CB 3.29Å; S292-S296 PolarHBondContact O-N 3.41Å; S292-S296 PolarHBondContact O-OG 3Å; S292-D384 WeakPolarHBondContact CB-OD2 3.41Å; S292-D384 PolarHBondContact N-OD1 3.11Å; S292-D384 PolarHBondContact N-OD2 3.27Å; S292-D384 PolarHBondContact OG-OD2 2.72Å |
| 293 | E | 93.4 | Very high | 90 | Very high | 107 Ų | 107 | 40.7 Ų | 40.7 | 50% | 0.5 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -65.3 | -42.3 | 176.3 | -167.6 | -167.8 | 170 | 0 | 0 | 112.6 | N291 R295 S296 K297 | N291-E293 PolarHBondContact O-N 3.35Å; E293-R295 PolarHBondContact O-N 3.05Å; E293-S296 WeakPolarHBondContact CA-OG 3.34Å; E293-S296 PolarHBondContact O-N 3.2Å; E293-S296 PolarHBondContact O-OG 3.46Å; E293-K297 HydrophobicContact CG-CD 4.24Å; E293-K297 WeakPolarHBondContact O-CG 3.41Å; E293-K297 PolarHBondContact O-N 2.88Å; E293-K297 WeakPolarHBondContact OE1-CE 3.43Å; E293-K297 IonicContact OE1-NZ 2.88Å; E293-K297 PolarHBondContact OE1-NZ 3.4Å |
| 294 | Q | 94.2 | Very high | 89.4 | Confident | 44 Ų | 44 | 46.8 Ų | 46.8 | 21% | 0.206 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.6 | -36.9 | 177 | -69.7 | 177.4 | -47.6 | 0 | 0 | 110.9 | I53 R54 F290 N291 T298 | I53-Q294 HydrophobicContact CG2-CB 4.07Å; I53-Q294 HydrophobicContact CG2-CG 4.06Å; R54-Q294 PolarHBondContact O-NE2 3.37Å; F290-Q294 HydrophobicContact CB-CB 4.5Å; N291-Q294 HydrophobicContact CB-CG 4.45Å; N291-Q294 WeakPolarHBondContact O-CB 3.19Å; N291-Q294 PolarHBondContact O-N 3.36Å; N291-Q294 VanDerWaalsContact O-N 3.1Å; Q294-T298 PolarHBondContact O-OG1 3.08Å |
| 295 | R | 93.5 | Very high | 89.1 | Confident | 6 Ų | 6 | 47.2 Ų | 47.2 | 2% | 0.023 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -76.2 | -42.9 | 179.1 | -63.8 | 171.6 | -175.8 | -80.5 | -3.9 | 112.4 | A253 F290 N291 S292 E293 T298 A299 I305 P306 G308 | A253-R295 HydrophobicContact CB-CB 4.1Å; A253-R295 WeakPolarHBondContact O-CD 3.26Å; A253-R295 PolarHBondContact O-NH1 2.86Å; F290-R295 HydrophobicContact CB-CG 4.37Å; F290-R295 PolarHBondContact O-NE 3.34Å; N291-R295 WeakPolarHBondContact O-CG 3.16Å; N291-R295 PolarHBondContact O-N 2.97Å; N291-R295 VanDerWaalsContact O-N 3.16Å; S292-R295 PolarHBondContact O-N 2.93Å; E293-R295 PolarHBondContact O-N 3.05Å; R295-T298 PolarHBondContact O-N 3.3Å; R295-T298 PolarHBondContact O-OG1 3.5Å; R295-A299 PolarHBondContact O-N 2.99Å; R295-I305 HydrophobicContact CB-CG2 4.31Å; R295-I305 HydrophobicContact CG-CG2 4.31Å; R295-P306 HydrophobicContact CG-CG 4.15Å; R295-P306 PolarHBondContact NH1-O 3.14Å; R295-G308 PolarHBondContact NH1-O 3.47Å; R295-G308 PolarHBondContact NH2-O 3.31Å |
| 296 | S | 84.8 | Confident | 88.8 | Confident | 69 Ų | 69 | 47.2 Ų | 47.2 | 48% | 0.483 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -68.8 | -39.4 | -174.8 | 66.9 | 0 | 0 | 0 | 0 | 112.6 | S292 E293 T298 A299 | S292-S296 WeakPolarHBondContact O-CB 3.29Å; S292-S296 PolarHBondContact O-N 3.41Å; S292-S296 PolarHBondContact O-OG 3Å; E293-S296 WeakPolarHBondContact CA-OG 3.34Å; E293-S296 PolarHBondContact O-N 3.2Å; E293-S296 PolarHBondContact O-OG 3.46Å; S296-T298 PolarHBondContact O-N 2.88Å; S296-T298 VanDerWaalsContact O-N 3.08Å; S296-A299 WeakPolarHBondContact O-CB 3.42Å; S296-A299 PolarHBondContact O-N 3.14Å |
| 297 | K | 80.3 | Confident | 88.7 | Confident | 150 Ų | 150 | 50 Ų | 50 | 65% | 0.652 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -26.3 | 175.6 | -77.8 | 174.8 | 169 | 171.1 | 0 | 113.3 | E293 | E293-K297 HydrophobicContact CG-CD 4.24Å; E293-K297 WeakPolarHBondContact O-CG 3.41Å; E293-K297 PolarHBondContact O-N 2.88Å; E293-K297 WeakPolarHBondContact OE1-CE 3.43Å; E293-K297 IonicContact OE1-NZ 2.88Å; E293-K297 PolarHBondContact OE1-NZ 3.4Å |
| 298 | T | 78.4 | Confident | 88.5 | Confident | 21 Ų | 21 | 50.1 Ų | 50.1 | 13% | 0.129 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -4.3 | -179.8 | 51 | 0 | 0 | 0 | 0 | 114.1 | I53 Q294 R295 S296 S300 G301 K304 I305 | I53-T298 HydrophobicContact CD1-CG2 3.7Å; Q294-T298 PolarHBondContact O-OG1 3.08Å; R295-T298 PolarHBondContact O-N 3.3Å; R295-T298 PolarHBondContact O-OG1 3.5Å; S296-T298 PolarHBondContact O-N 2.88Å; S296-T298 VanDerWaalsContact O-N 3.08Å; T298-S300 PolarHBondContact O-N 2.78Å; T298-G301 PolarHBondContact O-N 3.14Å; T298-G301 VanDerWaalsContact O-N 3.16Å; T298-K304 VanDerWaalsContact CB-O 3.26Å; T298-K304 WeakPolarHBondContact CB-O 3.17Å; T298-K304 HydrophobicContact CG2-CB 4.13Å; T298-K304 WeakPolarHBondContact CG2-O 3.39Å; T298-K304 PolarHBondContact OG1-O 3.19Å; T298-I305 WeakPolarHBondContact OG1-CA 3.36Å |
| 299 | A | 70.7 | Confident | 88.5 | Confident | 22 Ų | 22 | 50 Ų | 50 | 18% | 0.182 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -8.7 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L249 R295 S296 G301 | L249-A299 HydrophobicContact CD1-CB 4.38Å; L249-A299 HydrophobicContact CD2-CB 3.76Å; L249-A299 HydrophobicContact CG-CB 4.16Å; R295-A299 PolarHBondContact O-N 2.99Å; S296-A299 WeakPolarHBondContact O-CB 3.42Å; S296-A299 PolarHBondContact O-N 3.14Å; A299-G301 PolarHBondContact O-N 2.95Å |
| 300 | S | 75.8 | Confident | 88.5 | Confident | 112 Ų | 112 | 50.2 Ų | 50.2 | 78% | 0.783 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -15.8 | 170.3 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | T298 | T298-S300 PolarHBondContact O-N 2.78Š|
| 301 | G | 82.2 | Confident | 88.6 | Confident | 25 Ų | 25 | 50.1 Ų | 50.1 | 26% | 0.258 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -149.9 | 121.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | T298 A299 G303 K304 | T298-G301 PolarHBondContact O-N 3.14Å; T298-G301 VanDerWaalsContact O-N 3.16Å; A299-G301 PolarHBondContact O-N 2.95Å; G301-G303 PolarHBondContact O-N 3.45Å; G301-K304 WeakPolarHBondContact O-CB 3.46Å; G301-K304 PolarHBondContact O-N 2.8Å |
| 302 | F | 83.4 | Confident | 88.6 | Confident | 151 Ų | 151 | 48.1 Ų | 48.1 | 66% | 0.662 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -52.5 | -36 | -174.4 | 79.3 | -87.5 | 0 | 0 | 0 | 113.2 | K304 I305 | F302-K304 PolarHBondContact O-N 2.98Å; F302-K304 VanDerWaalsContact O-N 3.11Å; F302-I305 WeakPolarHBondContact O-CB 3.43Å; F302-I305 PolarHBondContact O-N 3.23Å |
| 303 | G | 82 | Confident | 88.9 | Confident | 41 Ų | 41 | 46.2 Ų | 46.2 | 42% | 0.423 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -67.3 | -6.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115 | G301 | G301-G303 PolarHBondContact O-N 3.45Š|
| 304 | K | 86.8 | Confident | 89.1 | Confident | 128 Ų | 128 | 41.3 Ų | 41.3 | 56% | 0.557 | 23% | 0.231 | S | C | * | . | G | 310 helix | trans | -98.4 | -14.2 | 173.5 | -59.6 | 179.4 | -179.5 | 177.5 | 0 | 112.5 | T298 G301 F302 | T298-K304 VanDerWaalsContact CB-O 3.26Å; T298-K304 WeakPolarHBondContact CB-O 3.17Å; T298-K304 HydrophobicContact CG2-CB 4.13Å; T298-K304 WeakPolarHBondContact CG2-O 3.39Å; T298-K304 PolarHBondContact OG1-O 3.19Å; G301-K304 WeakPolarHBondContact O-CB 3.46Å; G301-K304 PolarHBondContact O-N 2.8Å; F302-K304 PolarHBondContact O-N 2.98Å; F302-K304 VanDerWaalsContact O-N 3.11Å |
| 305 | I | 91.1 | Very high | 89.3 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 5% | 0.046 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -65.8 | 127.2 | 179.8 | -59.2 | 174.8 | 0 | 0 | 0 | 108.2 | A253 V256 R295 T298 F302 Q307 | A253-I305 HydrophobicContact CB-CD1 4.2Å; A253-I305 HydrophobicContact CB-CG2 4.49Å; V256-I305 HydrophobicContact CB-CG2 3.89Å; V256-I305 HydrophobicContact CG1-CB 4.25Å; V256-I305 HydrophobicContact CG1-CG2 3.93Å; V256-I305 HydrophobicContact CG2-CD1 4.35Å; V256-I305 HydrophobicContact CG2-CG2 4.09Å; R295-I305 HydrophobicContact CB-CG2 4.31Å; R295-I305 HydrophobicContact CG-CG2 4.31Å; T298-I305 WeakPolarHBondContact OG1-CA 3.36Å; F302-I305 WeakPolarHBondContact O-CB 3.43Å; F302-I305 PolarHBondContact O-N 3.23Å; I305-Q307 PolarHBondContact O-N 2.91Å |
| 306 | P | 92.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 22% | 0.221 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 131.5 | 177.6 | 27 | -33.3 | 0 | 0 | 0 | 109.6 | I53 F290 R295 | I53-P306 HydrophobicContact CB-CB 4.24Å; I53-P306 HydrophobicContact CD1-CB 4.26Å; I53-P306 HydrophobicContact CD1-CG 3.95Å; I53-P306 HydrophobicContact CG2-CB 4.49Å; I53-P306 HydrophobicContact CG2-CG 4.48Å; F290-P306 HydrophobicContact CB-CG 4.13Å; F290-P306 HydrophobicContact CD1-CB 3.68Å; F290-P306 HydrophobicContact CD1-CG 3.88Å; F290-P306 HydrophobicContact CD2-CB 3.87Å; F290-P306 HydrophobicContact CD2-CG 4.22Å; F290-P306 HydrophobicContact CE1-CB 3.67Å; F290-P306 HydrophobicContact CE1-CG 4.38Å; F290-P306 HydrophobicContact CE2-CB 3.86Å; F290-P306 HydrophobicContact CG-CB 3.8Å; F290-P306 HydrophobicContact CG-CG 3.81Å; F290-P306 HydrophobicContact CZ-CB 3.8Å; R295-P306 HydrophobicContact CG-CG 4.15Å; R295-P306 PolarHBondContact NH1-O 3.14Å |
| 307 | Q | 92.2 | Very high | 90.2 | Very high | 67 Ų | 67 | 35.7 Ų | 35.7 | 31% | 0.313 | 20% | 0.198 | S | C | . | . | P | Polyproline II helix | trans | -91.4 | 124.2 | -175.4 | -62 | 173.9 | -14.4 | 0 | 0 | 109.9 | S50 M51 V256 F290 I305 | S50-Q307 PolarHBondContact OG-N 2.63Å; S50-Q307 PolarHBondContact OG-O 2.55Å; M51-Q307 HydrophobicContact CE-CG 4.37Å; V256-Q307 HydrophobicContact CG1-CG 4.21Å; F290-Q307 WeakPolarHBondContact CE2-O 3.32Å; I305-Q307 PolarHBondContact O-N 2.91Å |
| 308 | G | 94.7 | Very high | 91 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 3% | 0.031 | 17% | 0.166 | C | C | . | . | trans | 153.4 | 157 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V256 C288 R295 | V256-G308 PolarHBondContact O-N 2.87Å; C288-G308 CarbonylContact O-C 3.48Å; C288-G308 WeakPolarHBondContact O-CA 3.5Å; R295-G308 PolarHBondContact NH1-O 3.47Å; R295-G308 PolarHBondContact NH2-O 3.31Å | ||
| 309 | V | 97 | Very high | 92 | Very high | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.03 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -138.8 | 164.1 | 177 | -67.1 | 0 | 0 | 0 | 0 | 110.3 | A235 H287 C288 I387 | A235-V309 HydrophobicContact CB-CG2 3.87Å; H287-V309 WeakPolarHBondContact CA-O 3.43Å; C288-V309 PolarHBondContact N-O 2.8Å; C288-V309 PolarHBondContact O-N 2.85Å; C288-V309 VanDerWaalsContact O-N 3.11Å; V309-I387 HydrophobicContact CB-CD1 4.02Å; V309-I387 HydrophobicContact CB-CG2 4.37Å; V309-I387 HydrophobicContact CG1-CD1 4.18Å; V309-I387 HydrophobicContact CG1-CG2 3.83Å; V309-I387 HydrophobicContact CG2-CD1 3.98Å |
| 310 | T | 98 | Very high | 93.3 | Very high | 5 Ų | 5 | 27.1 Ų | 27.1 | 3% | 0.031 | 15% | 0.154 | C | C | . | . | trans | -70.3 | 175.3 | 170.8 | 59 | 0 | 0 | 0 | 0 | 111.2 | H287 A289 E314 A383 S386 Y388 | H287-T310 WeakPolarHBondContact ND1-CA 3.34Å; A289-T310 HydrophobicContact CB-CG2 4.01Å; T310-E314 PolarHBondContact OG1-OE1 2.99Å; T310-A383 HydrophobicContact CG2-CB 3.64Å; T310-S386 PolarHBondContact OG1-OG 2.98Å; T310-Y388 VanDerWaalsContact O-CE2 3.26Å; T310-Y388 WeakPolarHBondContact O-CE2 3.39Å; T310-Y388 PolarHBondContact O-OH 2.76Å | ||
| 311 | G | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | 158.1 | -12.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | S285 H287 E313 E314 R315 | S285-G311 VanDerWaalsContact CB-O 3.32Å; S285-G311 WeakPolarHBondContact CB-O 3.32Å; H287-G311 PolarHBondContact ND1-N 2.96Å; G311-E313 VanDerWaalsContact C-N 3.31Å; G311-E313 PolarHBondContact O-N 3.28Å; G311-E314 WeakPolarHBondContact CA-OE2 3.45Å; G311-E314 PolarHBondContact N-OE2 2.9Å; G311-E314 PolarHBondContact O-N 3.43Å; G311-R315 WeakPolarHBondContact O-CB 3.44Å; G311-R315 PolarHBondContact O-N 3.22Å | ||
| 312 | A | 98.4 | Very high | 95.1 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -36.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | F46 A65 H287 | F46-A312 HydrophobicContact CE1-CB 4.49Å; F46-A312 HydrophobicContact CZ-CB 4.47Å; A65-A312 HydrophobicContact CB-CB 4.39Å; H287-A312 HydrophobicContact CB-CB 4.04Å; H287-A312 PolarHBondContact ND1-N 3.5Å |
| 313 | E | 98.5 | Very high | 95.8 | Very high | 5 Ų | 5 | 18.6 Ų | 18.6 | 2% | 0.023 | 10% | 0.096 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -38 | 176.2 | -171.8 | 176.5 | 151.6 | 0 | 0 | 111.4 | A65 A68 G69 G311 M317 K372 W380 | A65-E313 HydrophobicContact CB-CB 4.17Å; A65-E313 WeakPolarHBondContact O-CA 3.47Å; A65-E313 WeakPolarHBondContact O-CB 3.29Å; A68-E313 HydrophobicContact CB-CG 4.12Å; G69-E313 WeakPolarHBondContact CA-O 3.27Å; G311-E313 VanDerWaalsContact C-N 3.31Å; G311-E313 PolarHBondContact O-N 3.28Å; E313-M317 HydrophobicContact CG-CE 4.28Å; E313-M317 WeakPolarHBondContact O-CE 3.36Å; E313-K372 IonicContact OE1-NZ 2.57Å; E313-K372 PolarHBondContact OE1-NZ 3.23Å; E313-W380 PolarHBondContact OE2-N 2.98Å |
| 314 | E | 98.4 | Very high | 96.5 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 2% | 0.023 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -25 | -165.8 | -55.8 | 91.4 | 152.7 | 0 | 0 | 113.5 | T310 G311 M316 M317 I318 L374 Y388 | T310-E314 PolarHBondContact OG1-OE1 2.99Å; G311-E314 WeakPolarHBondContact CA-OE2 3.45Å; G311-E314 PolarHBondContact N-OE2 2.9Å; G311-E314 PolarHBondContact O-N 3.43Å; E314-M316 PolarHBondContact O-N 2.97Å; E314-M317 PolarHBondContact O-N 3.4Å; E314-M317 VanDerWaalsContact O-N 3.14Å; E314-I318 HydrophobicContact CB-CG1 4.14Å; E314-I318 WeakPolarHBondContact O-CG1 3.42Å; E314-I318 PolarHBondContact O-N 2.87Å; E314-L374 HydrophobicContact CB-CD1 4.14Å; E314-L374 HydrophobicContact CG-CD1 4.07Å; E314-L374 HydrophobicContact CG-CD2 4.42Å; E314-Y388 HydrophobicContact CB-CD1 4.44Å; E314-Y388 HydrophobicContact CB-CD2 3.82Å; E314-Y388 HydrophobicContact CB-CE2 3.99Å; E314-Y388 HydrophobicContact CB-CG 4.07Å; E314-Y388 HydrophobicContact CG-CD2 3.5Å; E314-Y388 HydrophobicContact CG-CE2 4.01Å; E314-Y388 HydrophobicContact CG-CG 3.96Å; E314-Y388 WeakPolarHBondContact OE1-CD2 3.46Å |
| 315 | R | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -47.6 | -50.6 | -168.5 | 176.7 | 179.5 | 74.6 | 98.5 | 1.7 | 114.8 | I40 D41 T71 A234 V283 S284 G311 L319 I338 | I40-R315 PolarHBondContact O-NH1 3.28Å; D41-R315 IonicContact OD2-NE 2.74Å; T71-R315 PolarHBondContact OG1-NH2 3.36Å; A234-R315 HydrophobicContact CB-CB 4.02Å; A234-R315 HydrophobicContact CB-CG 4.23Å; V283-R315 HydrophobicContact CG1-CG 4.1Å; V283-R315 WeakPolarHBondContact O-CD 3.39Å; V283-R315 PolarHBondContact O-NH1 2.97Å; S284-R315 VanDerWaalsContact C-CD 3.41Å; G311-R315 WeakPolarHBondContact O-CB 3.44Å; G311-R315 PolarHBondContact O-N 3.22Å; R315-L319 PolarHBondContact O-N 2.96Å; R315-I338 PolarHBondContact NH1-O 3.43Å; R315-I338 VanDerWaalsContact NH1-O 3.14Å |
| 316 | M | 98.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.9 | -43 | -176.3 | -72.3 | 178.1 | 57.4 | 0 | 0 | 111.5 | G69 G70 E314 L319 W320 F334 I338 V364 W366 | G69-M316 VanDerWaalsContact O-SD 3.4Å; G70-M316 VanDerWaalsContact C-SD 3.54Å; G70-M316 VanDerWaalsContact O-SD 3.41Å; E314-M316 PolarHBondContact O-N 2.97Å; M316-L319 PolarHBondContact O-N 3.2Å; M316-W320 WeakPolarHBondContact O-CB 3.5Å; M316-W320 PolarHBondContact O-N 3.13Å; M316-F334 HydrophobicContact CB-CZ 4.08Å; M316-F334 HydrophobicContact CE-CE1 4.29Å; M316-F334 HydrophobicContact CE-CZ 4.18Å; M316-F334 HydrophobicContact CG-CZ 4.4Å; M316-F334 WeakPolarHBondContact O-CE2 3.04Å; M316-I338 HydrophobicContact CE-CD1 3.95Å; M316-I338 HydrophobicContact CG-CB 4.46Å; M316-I338 HydrophobicContact CG-CG2 4.41Å; M316-I338 HydrophobicContact SD-CD1 4.29Å; M316-V364 HydrophobicContact CE-CG1 4.26Å; M316-W366 HydrophobicContact CB-CH2 3.88Å; M316-W366 HydrophobicContact CB-CZ3 3.95Å; M316-W366 HydrophobicContact CE-CE3 4.19Å; M316-W366 HydrophobicContact CE-CZ3 3.92Å |
| 317 | M | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.1 | -43.6 | 178.7 | -65.9 | -179 | -78.4 | 0 | 0 | 111.7 | E313 E314 W320 Q321 W366 K372 L374 C393 T396 | E313-M317 HydrophobicContact CG-CE 4.28Å; E313-M317 WeakPolarHBondContact O-CE 3.36Å; E314-M317 PolarHBondContact O-N 3.4Å; E314-M317 VanDerWaalsContact O-N 3.14Å; M317-W320 PolarHBondContact O-N 2.96Å; M317-Q321 VanDerWaalsContact O-CB 3.31Å; M317-Q321 WeakPolarHBondContact O-CB 3.43Å; M317-Q321 PolarHBondContact O-N 3.14Å; M317-W366 HydrophobicContact CG-CH2 3.83Å; M317-K372 HydrophobicContact CE-CD 4.26Å; M317-K372 HydrophobicContact SD-CD 3.74Å; M317-L374 HydrophobicContact CE-CD2 3.69Å; M317-L374 HydrophobicContact SD-CD2 4.13Å; M317-C393 HydrophobicContact CB-CB 4.17Å; M317-T396 HydrophobicContact SD-CG2 4.01Å |
| 318 | I | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.9 | -48.9 | 176.4 | -71 | -62.9 | 0 | 0 | 0 | 111.1 | L237 A238 E314 Q321 K322 L374 Y388 I391 | L237-I318 HydrophobicContact CB-CG2 4.11Å; A238-I318 HydrophobicContact CB-CD1 3.94Å; A238-I318 HydrophobicContact CB-CG1 4.32Å; A238-I318 HydrophobicContact CB-CG2 3.85Å; E314-I318 HydrophobicContact CB-CG1 4.14Å; E314-I318 WeakPolarHBondContact O-CG1 3.42Å; E314-I318 PolarHBondContact O-N 2.87Å; I318-Q321 PolarHBondContact O-N 2.88Å; I318-K322 HydrophobicContact CG2-CG 4.43Å; I318-K322 WeakPolarHBondContact O-CB 3.47Å; I318-K322 WeakPolarHBondContact O-CG 3.18Å; I318-K322 PolarHBondContact O-N 3.45Å; I318-L374 HydrophobicContact CD1-CD1 3.68Å; I318-L374 HydrophobicContact CG1-CD1 4.14Å; I318-Y388 HydrophobicContact CD1-CD1 3.9Å; I318-Y388 HydrophobicContact CG1-CD1 3.93Å; I318-Y388 HydrophobicContact CG1-CE1 4.18Å; I318-I391 HydrophobicContact CD1-CB 4.5Å; I318-I391 HydrophobicContact CD1-CD1 4.06Å; I318-I391 HydrophobicContact CD1-CG2 3.91Å |
| 319 | L | 98.4 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.6 | -39.3 | -179.3 | 180 | 67.7 | 0 | 0 | 0 | 111.6 | L237 L275 V283 R315 M316 G323 L329 F334 V337 I338 | L237-L319 HydrophobicContact CD1-CB 4.49Å; L237-L319 HydrophobicContact CD1-CD1 3.64Å; L275-L319 HydrophobicContact CD1-CD1 4.24Å; V283-L319 HydrophobicContact CB-CD2 4.4Å; V283-L319 HydrophobicContact CG2-CD1 4.27Å; V283-L319 HydrophobicContact CG2-CD2 3.97Å; R315-L319 PolarHBondContact O-N 2.96Å; M316-L319 PolarHBondContact O-N 3.2Å; L319-G323 VanDerWaalsContact O-CA 3.27Å; L319-G323 WeakPolarHBondContact O-CA 3.41Å; L319-G323 PolarHBondContact O-N 2.92Å; L319-L329 HydrophobicContact CD1-CD2 4Å; L319-L329 HydrophobicContact CD2-CD2 4.11Å; L319-L329 HydrophobicContact CG-CD2 4.05Å; L319-F334 HydrophobicContact CB-CD2 4.37Å; L319-F334 HydrophobicContact CB-CE2 4.11Å; L319-F334 HydrophobicContact CD2-CD2 3.69Å; L319-F334 HydrophobicContact CD2-CE2 3.99Å; L319-F334 HydrophobicContact CG-CD2 3.89Å; L319-F334 HydrophobicContact CG-CE2 4.13Å; L319-V337 HydrophobicContact CD2-CG2 3.49Å; L319-V337 VanDerWaalsContact CD2-CG2 3.49Å; L319-I338 HydrophobicContact CD2-CG2 3.47Å; L319-I338 VanDerWaalsContact CD2-CG2 3.47Å |
| 320 | W | 98.1 | Very high | 97.7 | Very high | 12 Ų | 12 | 23.6 Ų | 23.6 | 5% | 0.045 | 14% | 0.139 | C | C | . | . | I | π-helix | trans | -61.2 | -50.3 | 175.8 | -172.8 | -77.9 | 0 | 0 | 0 | 110.7 | L34 M316 M317 K322 V324 N325 P331 F334 W366 P368 | L34-W320 HydrophobicContact CD1-CH2 3.44Å; L34-W320 VanDerWaalsContact CD1-CH2 3.44Å; L34-W320 HydrophobicContact CD1-CZ2 4.14Å; L34-W320 HydrophobicContact CD1-CZ3 4.29Å; M316-W320 WeakPolarHBondContact O-CB 3.5Å; M316-W320 PolarHBondContact O-N 3.13Å; M317-W320 PolarHBondContact O-N 2.96Å; W320-K322 PolarHBondContact O-N 3.15Å; W320-V324 HydrophobicContact CD2-CB 3.97Å; W320-V324 HydrophobicContact CD2-CG1 4.18Å; W320-V324 HydrophobicContact CD2-CG2 4.09Å; W320-V324 HydrophobicContact CE3-CB 4.29Å; W320-V324 HydrophobicContact CE3-CG1 4.42Å; W320-V324 HydrophobicContact CE3-CG2 3.93Å; W320-V324 HydrophobicContact CG-CB 4.22Å; W320-V324 HydrophobicContact CH2-CG1 4.02Å; W320-V324 HydrophobicContact CZ2-CB 4.45Å; W320-V324 HydrophobicContact CZ2-CG1 3.75Å; W320-V324 HydrophobicContact CZ3-CG1 4.36Å; W320-V324 HydrophobicContact CZ3-CG2 4.28Å; W320-V324 WeakPolarHBondContact O-CA 3.1Å; W320-V324 WeakPolarHBondContact O-CB 3.36Å; W320-V324 PolarHBondContact O-N 3.47Å; W320-N325 PolarHBondContact NE1-OD1 3.21Å; W320-N325 PolarHBondContact O-N 3.11Å; W320-P331 HydrophobicContact CH2-CB 4.32Å; W320-P331 HydrophobicContact CH2-CG 4.37Å; W320-P331 HydrophobicContact CZ3-CB 4.47Å; W320-F334 HydrophobicContact CB-CD2 4.48Å; W320-F334 HydrophobicContact CB-CE2 3.92Å; W320-F334 HydrophobicContact CB-CZ 4.38Å; W320-F334 AromaticContact CE3-CD1 3.79Å; W320-F334 HydrophobicContact CE3-CD1 3.79Å; W320-F334 HydrophobicContact CE3-CD2 4.04Å; W320-F334 AromaticContact CE3-CE1 3.77Å; W320-F334 HydrophobicContact CE3-CE1 3.77Å; W320-F334 HydrophobicContact CE3-CE2 4.02Å; W320-F334 AromaticContact CE3-CG 3.93Å; W320-F334 HydrophobicContact CE3-CG 3.93Å; W320-F334 AromaticContact CE3-CZ 3.88Å; W320-F334 HydrophobicContact CE3-CZ 3.88Å; W320-F334 AromaticContact CZ3-CD1 3.92Å; W320-F334 HydrophobicContact CZ3-CD1 3.92Å; W320-F334 HydrophobicContact CZ3-CE1 4.16Å; W320-F334 HydrophobicContact CZ3-CG 4.26Å; W320-W366 HydrophobicContact CB-CZ2 3.7Å; W320-W366 AromaticContact CD2-CE2 3.87Å; W320-W366 HydrophobicContact CD2-CZ2 4.01Å; W320-W366 AromaticContact CD2-NE1 3.31Å; W320-W366 VanDerWaalsContact CD2-NE1 3.31Å; W320-W366 AromaticContact CE2-NE1 3.5Å; W320-W366 AromaticContact CE3-CE2 3.92Å; W320-W366 HydrophobicContact CE3-CZ2 4.23Å; W320-W366 AromaticContact CE3-NE1 3.47Å; W320-W366 AromaticContact CG-CZ2 3.77Å; W320-W366 HydrophobicContact CG-CZ2 3.77Å; W320-W366 AromaticContact CG-NE1 3.85Å; W320-W366 AromaticContact CZ2-NE1 3.87Å; W320-W366 AromaticContact CZ3-NE1 3.83Å; W320-P368 HydrophobicContact CH2-CB 4.48Å; W320-P368 HydrophobicContact CZ2-CB 3.64Å |
| 321 | Q | 98 | Very high | 97.5 | Very high | 41 Ų | 41 | 26.4 Ų | 26.4 | 19% | 0.192 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -63 | -45.1 | -179.7 | 178.9 | 56 | 40.5 | 0 | 0 | 112.9 | M317 I318 N325 C393 | M317-Q321 VanDerWaalsContact O-CB 3.31Å; M317-Q321 WeakPolarHBondContact O-CB 3.43Å; M317-Q321 PolarHBondContact O-N 3.14Å; I318-Q321 PolarHBondContact O-N 2.88Å; Q321-N325 PolarHBondContact OE1-ND2 2.89Å; Q321-C393 HydrophobicContact CB-CB 4.14Å; Q321-C393 HydrophobicContact CG-CB 4.49Å |
| 322 | K | 97.8 | Very high | 97.3 | Very high | 69 Ų | 69 | 33.8 Ų | 33.8 | 30% | 0.3 | 19% | 0.194 | S | C | . | . | I | π-helix | trans | -84.7 | -24.7 | -175.2 | -64 | -74.4 | -174.3 | -179.7 | 0 | 113 | I272 I318 W320 T326 | I272-K322 HydrophobicContact CD1-CB 3.57Å; I272-K322 WeakPolarHBondContact CD1-O 3.5Å; I318-K322 HydrophobicContact CG2-CG 4.43Å; I318-K322 WeakPolarHBondContact O-CB 3.47Å; I318-K322 WeakPolarHBondContact O-CG 3.18Å; I318-K322 PolarHBondContact O-N 3.45Å; W320-K322 PolarHBondContact O-N 3.15Å; K322-T326 VanDerWaalsContact O-CG2 3.25Å; K322-T326 WeakPolarHBondContact O-CG2 3.45Å; K322-T326 PolarHBondContact O-OG1 2.98Å |
| 323 | G | 98.1 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -105.4 | -59 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L319 T326 G327 M328 L329 | L319-G323 VanDerWaalsContact O-CA 3.27Å; L319-G323 WeakPolarHBondContact O-CA 3.41Å; L319-G323 PolarHBondContact O-N 2.92Å; G323-T326 PolarHBondContact O-OG1 3.24Å; G323-G327 PolarHBondContact O-N 2.99Å; G323-M328 PolarHBondContact O-N 3.37Å; G323-L329 PolarHBondContact O-N 3.35Å |
| 324 | V | 97.5 | Very high | 97.2 | Very high | 20 Ų | 20 | 36 Ų | 36 | 12% | 0.121 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -73.9 | -52.4 | -174 | -178.5 | 0 | 0 | 0 | 0 | 111.4 | W320 T326 G327 L329 P331 F334 | W320-V324 HydrophobicContact CD2-CB 3.97Å; W320-V324 HydrophobicContact CD2-CG1 4.18Å; W320-V324 HydrophobicContact CD2-CG2 4.09Å; W320-V324 HydrophobicContact CE3-CB 4.29Å; W320-V324 HydrophobicContact CE3-CG1 4.42Å; W320-V324 HydrophobicContact CE3-CG2 3.93Å; W320-V324 HydrophobicContact CG-CB 4.22Å; W320-V324 HydrophobicContact CH2-CG1 4.02Å; W320-V324 HydrophobicContact CZ2-CB 4.45Å; W320-V324 HydrophobicContact CZ2-CG1 3.75Å; W320-V324 HydrophobicContact CZ3-CG1 4.36Å; W320-V324 HydrophobicContact CZ3-CG2 4.28Å; W320-V324 WeakPolarHBondContact O-CA 3.1Å; W320-V324 WeakPolarHBondContact O-CB 3.36Å; W320-V324 PolarHBondContact O-N 3.47Å; V324-T326 PolarHBondContact O-N 3.24Å; V324-T326 VanDerWaalsContact O-N 3.11Å; V324-G327 PolarHBondContact O-N 3.05Å; V324-L329 VanDerWaalsContact CA-O 3.3Å; V324-L329 WeakPolarHBondContact CA-O 3.23Å; V324-L329 HydrophobicContact CG2-CB 4.44Å; V324-P331 HydrophobicContact CG1-CG 4.13Å; V324-F334 HydrophobicContact CG2-CB 3.81Å; V324-F334 HydrophobicContact CG2-CD2 4.11Å; V324-F334 HydrophobicContact CG2-CG 4.16Å |
| 325 | N | 97 | Very high | 97.2 | Very high | 70 Ų | 70 | 37.5 Ų | 37.5 | 37% | 0.374 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -16.6 | -178.3 | -65.8 | -16.1 | 0 | 0 | 0 | 113.2 | W320 Q321 F394 | W320-N325 PolarHBondContact NE1-OD1 3.21Å; W320-N325 PolarHBondContact O-N 3.11Å; Q321-N325 PolarHBondContact OE1-ND2 2.89Å; N325-F394 PolarHBondContact ND2-O 3.41Å |
| 326 | T | 97.1 | Very high | 97.1 | Very high | 75 Ų | 75 | 38.2 Ų | 38.2 | 46% | 0.46 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -5.5 | 174.6 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | K322 G323 V324 M328 | K322-T326 VanDerWaalsContact O-CG2 3.25Å; K322-T326 WeakPolarHBondContact O-CG2 3.45Å; K322-T326 PolarHBondContact O-OG1 2.98Å; G323-T326 PolarHBondContact O-OG1 3.24Å; V324-T326 PolarHBondContact O-N 3.24Å; V324-T326 VanDerWaalsContact O-N 3.11Å; T326-M328 PolarHBondContact O-N 3.19Å; T326-M328 WeakPolarHBondContact OG1-CG 3.22Å |
| 327 | G | 97.1 | Very high | 97.1 | Very high | 68 Ų | 68 | 38.2 Ų | 38.2 | 70% | 0.701 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 8.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | G323 V324 | G323-G327 PolarHBondContact O-N 2.99Å; V324-G327 PolarHBondContact O-N 3.05Å |
| 328 | M | 97.1 | Very high | 97.1 | Very high | 43 Ų | 43 | 38.2 Ų | 38.2 | 21% | 0.212 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -79.4 | -22.4 | 178.3 | -65 | -177.6 | 64.6 | 0 | 0 | 113 | N269 I272 R273 A276 G323 T326 | N269-M328 HydrophobicContact CB-CE 4Å; N269-M328 HydrophobicContact CB-SD 4.4Å; N269-M328 WeakPolarHBondContact O-CE 3.47Å; I272-M328 HydrophobicContact CB-CE 4.1Å; I272-M328 HydrophobicContact CG2-CB 3.72Å; I272-M328 HydrophobicContact CG2-CE 4.08Å; I272-M328 HydrophobicContact CG2-SD 4.49Å; R273-M328 HydrophobicContact CG-CE 3.34Å; A276-M328 VanDerWaalsContact CB-O 3.27Å; A276-M328 WeakPolarHBondContact CB-O 3.26Å; G323-M328 PolarHBondContact O-N 3.37Å; T326-M328 PolarHBondContact O-N 3.19Å; T326-M328 WeakPolarHBondContact OG1-CG 3.22Å |
| 329 | L | 96.4 | Very high | 97.1 | Very high | 5 Ų | 5 | 38.2 Ų | 38.2 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -134.3 | 133.3 | -179.4 | -159.8 | 73.1 | 0 | 0 | 0 | 108.6 | A276 L319 G323 V324 R333 F334 V337 | A276-L329 HydrophobicContact CB-CD1 3.78Å; L319-L329 HydrophobicContact CD1-CD2 4Å; L319-L329 HydrophobicContact CD2-CD2 4.11Å; L319-L329 HydrophobicContact CG-CD2 4.05Å; G323-L329 PolarHBondContact O-N 3.35Å; V324-L329 VanDerWaalsContact CA-O 3.3Å; V324-L329 WeakPolarHBondContact CA-O 3.23Å; V324-L329 HydrophobicContact CG2-CB 4.44Å; L329-R333 HydrophobicContact CD1-CB 3.91Å; L329-R333 HydrophobicContact CD1-CG 3.45Å; L329-R333 VanDerWaalsContact CD1-CG 3.45Å; L329-R333 HydrophobicContact CG-CB 4.09Å; L329-R333 HydrophobicContact CG-CG 4.16Å; L329-F334 HydrophobicContact CD2-CB 4.01Å; L329-V337 HydrophobicContact CD2-CG2 4.39Å |
| 330 | D | 94.6 | Very high | 97.1 | Very high | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 22% | 0.223 | S | C | . | . | trans | -82.9 | 160.7 | 171 | 69.8 | 75.5 | 0 | 0 | 0 | 111.5 | M332 R333 F334 | D330-M332 VanDerWaalsContact C-N 3.29Å; D330-M332 PolarHBondContact O-N 3.25Å; D330-M332 WeakPolarHBondContact OD1-CA 3.46Å; D330-M332 VanDerWaalsContact OD1-CB 3.26Å; D330-M332 WeakPolarHBondContact OD1-CB 3.5Å; D330-M332 PolarHBondContact OD1-N 3.42Å; D330-R333 PolarHBondContact O-N 2.91Å; D330-R333 VanDerWaalsContact O-N 3.16Å; D330-R333 PolarHBondContact OD1-N 3.22Å; D330-R333 WeakPolarHBondContact OD2-CB 2.92Å; D330-F334 PolarHBondContact O-N 2.89Å | ||
| 331 | P | 93.6 | Very high | 97.2 | Very high | 64 Ų | 64 | 39.3 Ų | 39.3 | 42% | 0.416 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60 | -30.7 | 179.8 | -27.2 | 35.9 | 0 | 0 | 0 | 115.1 | W320 V324 F334 V335 | W320-P331 HydrophobicContact CH2-CB 4.32Å; W320-P331 HydrophobicContact CH2-CG 4.37Å; W320-P331 HydrophobicContact CZ3-CB 4.47Å; V324-P331 HydrophobicContact CG1-CG 4.13Å; P331-F334 WeakPolarHBondContact O-CB 3.49Å; P331-F334 PolarHBondContact O-N 3.44Å; P331-V335 PolarHBondContact O-N 2.86Å; P331-V335 VanDerWaalsContact O-N 3.1Å |
| 332 | M | 94.2 | Very high | 97.2 | Very high | 155 Ų | 155 | 37.4 Ų | 37.4 | 76% | 0.764 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -71.7 | -38.8 | 177.3 | -60.2 | 179.1 | -74.6 | 0 | 0 | 110.5 | D330 V335 A336 | D330-M332 VanDerWaalsContact C-N 3.29Å; D330-M332 PolarHBondContact O-N 3.25Å; D330-M332 WeakPolarHBondContact OD1-CA 3.46Å; D330-M332 VanDerWaalsContact OD1-CB 3.26Å; D330-M332 WeakPolarHBondContact OD1-CB 3.5Å; D330-M332 PolarHBondContact OD1-N 3.42Å; M332-V335 PolarHBondContact O-N 3.28Å; M332-A336 PolarHBondContact O-N 3.32Å |
| 333 | R | 96.8 | Very high | 97.2 | Very high | 50 Ų | 50 | 34.1 Ų | 34.1 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.2 | -34.7 | 175.1 | -167.4 | 68.3 | -169.2 | 157.9 | 8.5 | 111.9 | L275 L280 L329 D330 A336 V337 | L275-R333 VanDerWaalsContact O-CZ 3.23Å; L275-R333 PolarHBondContact O-NE 3.08Å; L275-R333 PolarHBondContact O-NH2 3.16Å; L280-R333 PolarHBondContact O-NH2 3.23Å; L329-R333 HydrophobicContact CD1-CB 3.91Å; L329-R333 HydrophobicContact CD1-CG 3.45Å; L329-R333 VanDerWaalsContact CD1-CG 3.45Å; L329-R333 HydrophobicContact CG-CB 4.09Å; L329-R333 HydrophobicContact CG-CG 4.16Å; D330-R333 PolarHBondContact O-N 2.91Å; D330-R333 VanDerWaalsContact O-N 3.16Å; D330-R333 PolarHBondContact OD1-N 3.22Å; D330-R333 WeakPolarHBondContact OD2-CB 2.92Å; R333-A336 WeakPolarHBondContact O-CB 3.03Å; R333-A336 PolarHBondContact O-N 2.77Å; R333-V337 WeakPolarHBondContact O-CG2 3.49Å; R333-V337 PolarHBondContact O-N 3.11Å; R333-V337 VanDerWaalsContact O-N 3.07Å |
| 334 | F | 97.7 | Very high | 97.2 | Very high | 3 Ų | 3 | 37.9 Ų | 37.9 | 1% | 0.013 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -53.2 | -54.9 | 167.7 | 172.5 | -94.5 | 0 | 0 | 0 | 110.9 | M316 L319 W320 V324 L329 D330 P331 A336 V337 I338 | M316-F334 HydrophobicContact CB-CZ 4.08Å; M316-F334 HydrophobicContact CE-CE1 4.29Å; M316-F334 HydrophobicContact CE-CZ 4.18Å; M316-F334 HydrophobicContact CG-CZ 4.4Å; M316-F334 WeakPolarHBondContact O-CE2 3.04Å; L319-F334 HydrophobicContact CB-CD2 4.37Å; L319-F334 HydrophobicContact CB-CE2 4.11Å; L319-F334 HydrophobicContact CD2-CD2 3.69Å; L319-F334 HydrophobicContact CD2-CE2 3.99Å; L319-F334 HydrophobicContact CG-CD2 3.89Å; L319-F334 HydrophobicContact CG-CE2 4.13Å; W320-F334 HydrophobicContact CB-CD2 4.48Å; W320-F334 HydrophobicContact CB-CE2 3.92Å; W320-F334 HydrophobicContact CB-CZ 4.38Å; W320-F334 AromaticContact CE3-CD1 3.79Å; W320-F334 HydrophobicContact CE3-CD1 3.79Å; W320-F334 HydrophobicContact CE3-CD2 4.04Å; W320-F334 AromaticContact CE3-CE1 3.77Å; W320-F334 HydrophobicContact CE3-CE1 3.77Å; W320-F334 HydrophobicContact CE3-CE2 4.02Å; W320-F334 AromaticContact CE3-CG 3.93Å; W320-F334 HydrophobicContact CE3-CG 3.93Å; W320-F334 AromaticContact CE3-CZ 3.88Å; W320-F334 HydrophobicContact CE3-CZ 3.88Å; W320-F334 AromaticContact CZ3-CD1 3.92Å; W320-F334 HydrophobicContact CZ3-CD1 3.92Å; W320-F334 HydrophobicContact CZ3-CE1 4.16Å; W320-F334 HydrophobicContact CZ3-CG 4.26Å; V324-F334 HydrophobicContact CG2-CB 3.81Å; V324-F334 HydrophobicContact CG2-CD2 4.11Å; V324-F334 HydrophobicContact CG2-CG 4.16Å; L329-F334 HydrophobicContact CD2-CB 4.01Å; D330-F334 PolarHBondContact O-N 2.89Å; P331-F334 WeakPolarHBondContact O-CB 3.49Å; P331-F334 PolarHBondContact O-N 3.44Å; F334-A336 VanDerWaalsContact C-N 3.27Å; F334-A336 PolarHBondContact O-N 2.89Å; F334-V337 WeakPolarHBondContact O-CG2 3.28Å; F334-V337 PolarHBondContact O-N 3.12Å; F334-I338 HydrophobicContact CD1-CG1 4.23Å; F334-I338 HydrophobicContact CD2-CG2 4.31Å; F334-I338 HydrophobicContact CE1-CD1 4.39Å; F334-I338 HydrophobicContact CE1-CG1 4.05Å; F334-I338 HydrophobicContact CE2-CG2 4.05Å; F334-I338 HydrophobicContact CZ-CG1 4.36Å; F334-I338 HydrophobicContact CZ-CG2 4.27Å; F334-I338 WeakPolarHBondContact O-CG1 3.2Å; F334-I338 PolarHBondContact O-N 2.85Å; F334-I338 VanDerWaalsContact O-N 3.12Å |
| 335 | V | 97.1 | Very high | 97.3 | Very high | 36 Ų | 36 | 37 Ų | 37 | 22% | 0.218 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -55.3 | -42.3 | 176.3 | 164.9 | 0 | 0 | 0 | 0 | 112 | A36 V37 P331 M332 V337 S339 S340 | A36-V335 HydrophobicContact CB-CG2 4.22Å; V37-V335 HydrophobicContact CG2-CG1 3.57Å; P331-V335 PolarHBondContact O-N 2.86Å; P331-V335 VanDerWaalsContact O-N 3.1Å; M332-V335 PolarHBondContact O-N 3.28Å; V335-V337 PolarHBondContact O-N 3.48Å; V335-S339 PolarHBondContact O-N 3.15Å; V335-S339 VanDerWaalsContact O-N 3.12Å; V335-S340 PolarHBondContact O-N 2.81Å |
| 336 | A | 98.1 | Very high | 97.3 | Very high | 15 Ų | 15 | 33.8 Ų | 33.8 | 12% | 0.124 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -60.3 | -47.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | M332 R333 F334 S340 N341 | M332-A336 PolarHBondContact O-N 3.32Å; R333-A336 WeakPolarHBondContact O-CB 3.03Å; R333-A336 PolarHBondContact O-N 2.77Å; F334-A336 VanDerWaalsContact C-N 3.27Å; F334-A336 PolarHBondContact O-N 2.89Å; A336-S340 PolarHBondContact O-N 3.19Å; A336-N341 WeakPolarHBondContact O-CB 3.46Å; A336-N341 PolarHBondContact O-N 3.47Å; A336-N341 PolarHBondContact O-ND2 3.23Å |
| 337 | V | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | I | π-helix | trans | -83.4 | -17.8 | -172.8 | -55.4 | 0 | 0 | 0 | 0 | 114.3 | L275 E281 I282 V283 L319 L329 R333 F334 V335 | L275-V337 HydrophobicContact CB-CG1 4.36Å; L275-V337 HydrophobicContact CD2-CB 4.21Å; L275-V337 HydrophobicContact CD2-CG1 4.06Å; E281-V337 WeakPolarHBondContact O-CA 3.38Å; E281-V337 WeakPolarHBondContact O-CG1 3.33Å; I282-V337 WeakPolarHBondContact CA-O 3.02Å; V283-V337 HydrophobicContact CG2-CB 4.42Å; V283-V337 HydrophobicContact CG2-CG2 4.12Å; V283-V337 PolarHBondContact N-O 3.11Å; L319-V337 HydrophobicContact CD2-CG2 3.49Å; L319-V337 VanDerWaalsContact CD2-CG2 3.49Å; L329-V337 HydrophobicContact CD2-CG2 4.39Å; R333-V337 WeakPolarHBondContact O-CG2 3.49Å; R333-V337 PolarHBondContact O-N 3.11Å; R333-V337 VanDerWaalsContact O-N 3.07Å; F334-V337 WeakPolarHBondContact O-CG2 3.28Å; F334-V337 PolarHBondContact O-N 3.12Å; V335-V337 PolarHBondContact O-N 3.48Å |
| 338 | I | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.154 | C | C | . | . | I | π-helix | trans | -95.1 | -17.2 | 176.8 | 62.9 | 97.7 | 0 | 0 | 0 | 113.7 | I40 R315 M316 L319 F334 | I40-I338 PolarHBondContact N-O 2.58Å; I40-I338 VanDerWaalsContact O-O 3.04Å; R315-I338 PolarHBondContact NH1-O 3.43Å; R315-I338 VanDerWaalsContact NH1-O 3.14Å; M316-I338 HydrophobicContact CE-CD1 3.95Å; M316-I338 HydrophobicContact CG-CB 4.46Å; M316-I338 HydrophobicContact CG-CG2 4.41Å; M316-I338 HydrophobicContact SD-CD1 4.29Å; L319-I338 HydrophobicContact CD2-CG2 3.47Å; L319-I338 VanDerWaalsContact CD2-CG2 3.47Å; F334-I338 HydrophobicContact CD1-CG1 4.23Å; F334-I338 HydrophobicContact CD2-CG2 4.31Å; F334-I338 HydrophobicContact CE1-CD1 4.39Å; F334-I338 HydrophobicContact CE1-CG1 4.05Å; F334-I338 HydrophobicContact CE2-CG2 4.05Å; F334-I338 HydrophobicContact CZ-CG1 4.36Å; F334-I338 HydrophobicContact CZ-CG2 4.27Å; F334-I338 WeakPolarHBondContact O-CG1 3.2Å; F334-I338 PolarHBondContact O-N 2.85Å; F334-I338 VanDerWaalsContact O-N 3.12Å |
| 339 | S | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | I | π-helix | trans | -147.2 | -66.7 | -176 | -171.9 | 0 | 0 | 0 | 0 | 113.7 | G38 V335 N341 A342 A343 G353 | G38-S339 WeakPolarHBondContact O-CB 3.43Å; G38-S339 PolarHBondContact O-OG 2.98Å; V335-S339 PolarHBondContact O-N 3.15Å; V335-S339 VanDerWaalsContact O-N 3.12Å; S339-N341 VanDerWaalsContact C-N 3.31Å; S339-N341 PolarHBondContact O-N 3.04Å; S339-N341 VanDerWaalsContact O-N 3.14Å; S339-A342 WeakPolarHBondContact O-CB 3.33Å; S339-A342 PolarHBondContact O-N 3.05Å; S339-A343 PolarHBondContact O-N 3.2Å; S339-G353 WeakPolarHBondContact OG-CA 3.46Å |
| 340 | S | 98.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 33.8 Ų | 33.8 | 11% | 0.112 | 18% | 0.176 | C | C | . | . | I | π-helix | trans | -60 | -35.9 | -166.1 | -49.6 | 0 | 0 | 0 | 0 | 114.4 | V335 A336 K344 G353 | V335-S340 PolarHBondContact O-N 2.81Å; A336-S340 PolarHBondContact O-N 3.19Å; S340-K344 VanDerWaalsContact O-CG 3.29Å; S340-K344 WeakPolarHBondContact O-CG 3.48Å; S340-K344 PolarHBondContact O-N 2.83Å; S340-G353 WeakPolarHBondContact CB-O 3.18Å; S340-G353 PolarHBondContact OG-O 2.7Å |
| 341 | N | 98.5 | Very high | 97.7 | Very high | 20 Ų | 20 | 32.2 Ų | 32.2 | 11% | 0.107 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71 | -39.9 | 178.5 | -68.3 | -17.1 | 0 | 0 | 0 | 111.5 | E281 I282 A336 S339 K344 L345 | E281-N341 HydrophobicContact CB-CB 4.44Å; E281-N341 WeakPolarHBondContact O-CB 3.34Å; E281-N341 PolarHBondContact O-ND2 3.24Å; I282-N341 HydrophobicContact CG1-CB 4.04Å; A336-N341 WeakPolarHBondContact O-CB 3.46Å; A336-N341 PolarHBondContact O-N 3.47Å; A336-N341 PolarHBondContact O-ND2 3.23Å; S339-N341 VanDerWaalsContact C-N 3.31Å; S339-N341 PolarHBondContact O-N 3.04Å; S339-N341 VanDerWaalsContact O-N 3.14Å; N341-K344 PolarHBondContact O-N 3.25Å; N341-L345 VanDerWaalsContact O-CB 3.26Å; N341-L345 WeakPolarHBondContact O-CB 3.44Å; N341-L345 PolarHBondContact O-N 3.27Å |
| 342 | A | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.6 | -46 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I40 I282 S339 K344 L345 F346 | I40-A342 HydrophobicContact CB-CB 4.11Å; I40-A342 HydrophobicContact CG2-CB 3.94Å; I282-A342 HydrophobicContact CD1-CB 4.01Å; I282-A342 HydrophobicContact CG1-CB 4.38Å; S339-A342 WeakPolarHBondContact O-CB 3.33Å; S339-A342 PolarHBondContact O-N 3.05Å; A342-K344 VanDerWaalsContact C-N 3.31Å; A342-K344 PolarHBondContact O-N 3.22Å; A342-L345 PolarHBondContact O-N 3.02Å; A342-F346 WeakPolarHBondContact O-CB 3.16Å; A342-F346 WeakPolarHBondContact O-CD2 3.44Å; A342-F346 PolarHBondContact O-N 3.32Å |
| 343 | A | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -55.7 | -45.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I40 S339 N347 L348 Y349 K352 | I40-A343 HydrophobicContact CD1-CB 3.71Å; S339-A343 PolarHBondContact O-N 3.2Å; A343-N347 PolarHBondContact O-N 3.16Å; A343-N347 VanDerWaalsContact O-N 3.11Å; A343-L348 HydrophobicContact CB-CB 4.33Å; A343-L348 WeakPolarHBondContact O-CA 3.16Å; A343-L348 PolarHBondContact O-N 2.75Å; A343-Y349 HydrophobicContact CB-CD2 4.26Å; A343-Y349 PolarHBondContact O-N 3.33Å; A343-K352 WeakPolarHBondContact CB-O 3.46Å |
| 344 | K | 98.5 | Very high | 97.9 | Very high | 79 Ų | 79 | 26 Ų | 26 | 34% | 0.343 | 13% | 0.134 | S | C | . | . | H | α-helix | trans | -65.4 | -50.2 | 177.3 | -70.3 | 167.3 | -174.8 | 173.9 | 0 | 111.9 | S340 N341 A342 F346 N347 Y349 C429 L431 | S340-K344 VanDerWaalsContact O-CG 3.29Å; S340-K344 WeakPolarHBondContact O-CG 3.48Å; S340-K344 PolarHBondContact O-N 2.83Å; N341-K344 PolarHBondContact O-N 3.25Å; A342-K344 VanDerWaalsContact C-N 3.31Å; A342-K344 PolarHBondContact O-N 3.22Å; K344-F346 VanDerWaalsContact C-N 3.29Å; K344-F346 PolarHBondContact O-N 3.42Å; K344-N347 PolarHBondContact O-N 3.23Å; K344-Y349 HydrophobicContact CG-CD1 4.12Å; K344-Y349 HydrophobicContact CG-CD2 3.97Å; K344-Y349 HydrophobicContact CG-CG 3.67Å; K344-C429 PolarHBondContact O-SG 2.92Å; K344-L431 HydrophobicContact CB-CD2 3.82Å |
| 345 | L | 98.1 | Very high | 97.7 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62.6 | -37.4 | -175.1 | -179.1 | 59 | 0 | 0 | 0 | 112.3 | L164 F229 I282 N341 A342 C429 L431 | L164-L345 HydrophobicContact CD1-CD1 4.06Å; L164-L345 HydrophobicContact CD2-CD1 3.83Å; L164-L345 HydrophobicContact CD2-CD2 3.96Å; L164-L345 HydrophobicContact CD2-CG 3.69Å; F229-L345 HydrophobicContact CB-CD2 4.12Å; F229-L345 HydrophobicContact CD1-CD1 4.35Å; F229-L345 HydrophobicContact CD2-CD1 3.46Å; F229-L345 VanDerWaalsContact CD2-CD1 3.46Å; F229-L345 HydrophobicContact CD2-CD2 4.42Å; F229-L345 HydrophobicContact CE1-CD1 4.39Å; F229-L345 HydrophobicContact CE2-CD1 3.52Å; F229-L345 HydrophobicContact CG-CD1 3.89Å; F229-L345 HydrophobicContact CG-CD2 4.22Å; F229-L345 HydrophobicContact CZ-CD1 4Å; I282-L345 HydrophobicContact CD1-CB 4.47Å; I282-L345 HydrophobicContact CD1-CD2 3.69Å; N341-L345 VanDerWaalsContact O-CB 3.26Å; N341-L345 WeakPolarHBondContact O-CB 3.44Å; N341-L345 PolarHBondContact O-N 3.27Å; A342-L345 PolarHBondContact O-N 3.02Å; L345-C429 PolarHBondContact O-SG 3.45Å; L345-L431 HydrophobicContact CB-CD2 4.44Å |
| 346 | F | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 27 Ų | 27 | 1% | 0.009 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 14.5 | 176.5 | -68.7 | -90.9 | 0 | 0 | 0 | 112.8 | I75 N132 A342 K344 L348 V425 | I75-F346 HydrophobicContact CD1-CB 3.86Å; I75-F346 HydrophobicContact CD1-CD1 3.49Å; I75-F346 VanDerWaalsContact CD1-CD1 3.49Å; I75-F346 HydrophobicContact CD1-CD2 3.54Å; I75-F346 HydrophobicContact CD1-CE1 3.68Å; I75-F346 HydrophobicContact CD1-CE2 3.77Å; I75-F346 HydrophobicContact CD1-CG 3.35Å; I75-F346 HydrophobicContact CD1-CZ 3.76Å; I75-F346 HydrophobicContact CG2-CE1 4.03Å; I75-F346 HydrophobicContact CG2-CZ 4.43Å; N132-F346 PolarHBondContact ND2-O 3.01Å; A342-F346 WeakPolarHBondContact O-CB 3.16Å; A342-F346 WeakPolarHBondContact O-CD2 3.44Å; A342-F346 PolarHBondContact O-N 3.32Å; K344-F346 VanDerWaalsContact C-N 3.29Å; K344-F346 PolarHBondContact O-N 3.42Å; F346-L348 HydrophobicContact CB-CD1 4.1Å; F346-L348 HydrophobicContact CB-CG 4.44Å; F346-L348 PolarHBondContact O-N 2.65Å; F346-V425 WeakPolarHBondContact O-CG1 3.17Å |
| 347 | N | 98.4 | Very high | 97.1 | Very high | 45 Ų | 45 | 29.5 Ų | 29.5 | 24% | 0.241 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 38.3 | 172.6 | -153.2 | 22.9 | 0 | 0 | 0 | 115.6 | A343 K344 V425 A426 P427 C429 P430 | A343-N347 PolarHBondContact O-N 3.16Å; A343-N347 VanDerWaalsContact O-N 3.11Å; K344-N347 PolarHBondContact O-N 3.23Å; N347-V425 HydrophobicContact CB-CG1 4.34Å; N347-A426 PolarHBondContact ND2-O 2.93Å; N347-P427 PolarHBondContact ND2-O 2.98Å; N347-C429 HydrophobicContact CB-CB 4.03Å; N347-P430 VanDerWaalsContact OD1-CD 3.26Å; N347-P430 WeakPolarHBondContact OD1-CD 3.46Å |
| 348 | L | 98.4 | Very high | 96.9 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 3% | 0.031 | 19% | 0.187 | C | C | . | . | trans | -111.4 | 2.3 | 177.5 | -58.9 | 163.1 | 0 | 0 | 0 | 112.2 | M73 A343 F346 S351 K352 I423 V425 | M73-L348 HydrophobicContact CE-CD1 3.5Å; M73-L348 VanDerWaalsContact CE-CD1 3.5Å; M73-L348 HydrophobicContact CE-CD2 4.26Å; M73-L348 HydrophobicContact SD-CD1 3.64Å; A343-L348 HydrophobicContact CB-CB 4.33Å; A343-L348 WeakPolarHBondContact O-CA 3.16Å; A343-L348 PolarHBondContact O-N 2.75Å; F346-L348 HydrophobicContact CB-CD1 4.1Å; F346-L348 HydrophobicContact CB-CG 4.44Å; F346-L348 PolarHBondContact O-N 2.65Å; L348-S351 PolarHBondContact O-N 3.04Å; L348-S351 VanDerWaalsContact O-N 3.17Å; L348-S351 PolarHBondContact O-OG 3.22Å; L348-K352 HydrophobicContact CB-CB 4.34Å; L348-K352 PolarHBondContact O-N 3.14Å; L348-I423 HydrophobicContact CD2-CB 4.48Å; L348-I423 HydrophobicContact CD2-CG2 3.53Å; L348-V425 HydrophobicContact CD2-CG1 4.27Å; L348-V425 HydrophobicContact CD2-CG2 4.25Å; L348-V425 HydrophobicContact CG-CG1 4.49Å | ||
| 349 | Y | 98.4 | Very high | 96.8 | Very high | 72 Ų | 72 | 35.4 Ų | 35.4 | 28% | 0.282 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 138 | -176.6 | -172.5 | -90.2 | 0 | 0 | 0 | 111.2 | A343 K344 R354 | A343-Y349 HydrophobicContact CB-CD2 4.26Å; A343-Y349 PolarHBondContact O-N 3.33Å; K344-Y349 HydrophobicContact CG-CD1 4.12Å; K344-Y349 HydrophobicContact CG-CD2 3.97Å; K344-Y349 HydrophobicContact CG-CG 3.67Å; Y349-R354 HydrophobicContact CD2-CB 4.45Å; Y349-R354 HydrophobicContact CE2-CB 3.75Å; Y349-R354 HydrophobicContact CE2-CG 4.22Å; Y349-R354 VanDerWaalsContact OH-CD 3.26Å; Y349-R354 WeakPolarHBondContact OH-CD 3.1Å; Y349-R354 PolarHBondContact OH-NH1 3.03Å |
| 350 | P | 96.9 | Very high | 96.8 | Very high | 67 Ų | 67 | 36.8 Ų | 36.8 | 44% | 0.435 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -92.3 | 3.9 | 3.8 | 37.1 | -36 | 0 | 0 | 0 | 114.7 | K352 R354 S359 | P350-K352 PolarHBondContact O-N 2.85Å; P350-K352 VanDerWaalsContact O-N 3.11Å; P350-R354 HydrophobicContact CB-CB 4.22Å; P350-S359 WeakPolarHBondContact O-CB 3.38Å; P350-S359 PolarHBondContact O-OG 3.24Å; P350-S359 VanDerWaalsContact O-OG 3.08Å |
| 351 | S | 97.1 | Very high | 96.6 | Very high | 44 Ų | 44 | 36 Ų | 36 | 31% | 0.308 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.9 | -33.9 | -177.4 | 65.2 | 0 | 0 | 0 | 0 | 112.2 | L348 D360 | L348-S351 PolarHBondContact O-N 3.04Å; L348-S351 VanDerWaalsContact O-N 3.17Å; L348-S351 PolarHBondContact O-OG 3.22Å; S351-D360 VanDerWaalsContact O-CB 3.29Å; S351-D360 WeakPolarHBondContact O-CB 3.4Å; S351-D360 PolarHBondContact O-N 2.83Å |
| 352 | K | 98 | Very high | 96.6 | Very high | 4 Ų | 4 | 35.5 Ų | 35.5 | 2% | 0.017 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -122.1 | 157.8 | 168.2 | -60 | -171.2 | -178.3 | -53.7 | 0 | 111.3 | I40 M73 D104 A343 L348 P350 R354 D360 D362 | I40-K352 HydrophobicContact CD1-CB 3.95Å; M73-K352 HydrophobicContact CB-CD 4.46Å; M73-K352 HydrophobicContact CG-CD 4.41Å; M73-K352 HydrophobicContact SD-CD 3.27Å; M73-K352 WeakPolarHBondContact SD-CD 3.42Å; D104-K352 IonicContact OD2-NZ 2.55Å; D104-K352 PolarHBondContact OD2-NZ 3.37Å; A343-K352 WeakPolarHBondContact CB-O 3.46Å; L348-K352 HydrophobicContact CB-CB 4.34Å; L348-K352 PolarHBondContact O-N 3.14Å; P350-K352 PolarHBondContact O-N 2.85Å; P350-K352 VanDerWaalsContact O-N 3.11Å; K352-R354 VanDerWaalsContact C-N 3.27Å; K352-R354 PolarHBondContact O-N 3.42Å; K352-D360 IonicContact NZ-OD2 3.48Å; K352-D360 PolarHBondContact NZ-OD2 2.89Å; K352-D362 IonicContact NZ-OD2 2.63Å; K352-D362 PolarHBondContact NZ-OD2 2.94Å |
| 353 | G | 96.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 35.6 Ų | 35.6 | 7% | 0.072 | 19% | 0.187 | C | C | . | . | S | Bend | trans | 69.6 | 19.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | S339 S340 | S339-G353 WeakPolarHBondContact OG-CA 3.46Å; S340-G353 WeakPolarHBondContact CB-O 3.18Å; S340-G353 PolarHBondContact OG-O 2.7Å |
| 354 | R | 95.4 | Very high | 96.4 | Very high | 127 Ų | 127 | 35.6 Ų | 35.6 | 48% | 0.479 | 19% | 0.187 | S | C | . | . | trans | -139.1 | 138 | 165.3 | -160.2 | -179.2 | -173.4 | 142.8 | -7.1 | 110.5 | Y349 P350 K352 A356 S359 | Y349-R354 HydrophobicContact CD2-CB 4.45Å; Y349-R354 HydrophobicContact CE2-CB 3.75Å; Y349-R354 HydrophobicContact CE2-CG 4.22Å; Y349-R354 VanDerWaalsContact OH-CD 3.26Å; Y349-R354 WeakPolarHBondContact OH-CD 3.1Å; Y349-R354 PolarHBondContact OH-NH1 3.03Å; P350-R354 HydrophobicContact CB-CB 4.22Å; K352-R354 VanDerWaalsContact C-N 3.27Å; K352-R354 PolarHBondContact O-N 3.42Å; R354-A356 HydrophobicContact CG-CB 3.99Å; R354-A356 PolarHBondContact O-N 3.36Å; R354-S359 WeakPolarHBondContact O-CB 3.13Å | ||
| 355 | V | 92.3 | Very high | 96.2 | Very high | 39 Ų | 39 | 32.2 Ų | 32.2 | 24% | 0.236 | 17% | 0.173 | C | C | . | . | trans | -83.7 | 103.6 | 160.5 | -167.5 | 0 | 0 | 0 | 0 | 106.8 | I5 I12 M15 V37 L363 | I5-V355 HydrophobicContact CD1-CG1 3.21Å; I12-V355 HydrophobicContact CD1-CG1 3.9Å; M15-V355 HydrophobicContact CE-CG1 4.26Å; M15-V355 WeakPolarHBondContact CE-O 3.4Å; M15-V355 HydrophobicContact SD-CB 4.45Å; M15-V355 HydrophobicContact SD-CG1 3.42Å; M15-V355 WeakPolarHBondContact SD-CG1 3.26Å; V37-V355 HydrophobicContact CG1-CB 4.44Å; V37-V355 HydrophobicContact CG1-CG2 3.49Å; V37-V355 VanDerWaalsContact CG1-CG2 3.49Å; V37-V355 VanDerWaalsContact CG1-N 3.31Å; V355-L363 HydrophobicContact CG1-CD2 4.45Å; V355-L363 HydrophobicContact CG2-CD2 3.95Å | ||
| 356 | A | 91.7 | Very high | 96 | Very high | 20 Ų | 20 | 32.3 Ų | 32.3 | 17% | 0.165 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -158.3 | 154.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | I12 R354 D358 S359 | I12-A356 WeakPolarHBondContact CB-O 3.3Å; R354-A356 HydrophobicContact CG-CB 3.99Å; R354-A356 PolarHBondContact O-N 3.36Å; A356-D358 PolarHBondContact O-N 2.89Å; A356-S359 WeakPolarHBondContact O-CB 3.45Å; A356-S359 PolarHBondContact O-N 3.35Å; A356-S359 PolarHBondContact O-OG 2.89Å |
| 357 | V | 92.1 | Very high | 95.8 | Very high | 69 Ų | 69 | 34.1 Ų | 34.1 | 42% | 0.418 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | 139.5 | 171 | -179.8 | 0 | 0 | 0 | 0 | 109.9 | I12 S359 | I12-V357 CarbonylContact O-C 3.56Å; I12-V357 WeakPolarHBondContact O-CA 3.36Å; V357-S359 PolarHBondContact O-N 2.93Å |
| 358 | D | 94.2 | Very high | 95.6 | Very high | 122 Ų | 122 | 32.9 Ų | 32.9 | 65% | 0.652 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | -4 | -176.2 | -55.5 | -43 | 0 | 0 | 0 | 116.7 | K11 I12 A356 | K11-D358 PolarHBondContact NZ-O 3.49Å; I12-D358 PolarHBondContact O-N 2.87Å; A356-D358 PolarHBondContact O-N 2.89Å |
| 359 | S | 96.4 | Very high | 95.3 | Very high | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -71.7 | 152.2 | 171.1 | -49.2 | 0 | 0 | 0 | 0 | 110.4 | K11 I12 P350 R354 A356 V357 A361 | K11-S359 WeakPolarHBondContact CA-O 3.31Å; K11-S359 WeakPolarHBondContact CD-O 3.34Å; I12-S359 PolarHBondContact N-O 2.9Å; P350-S359 WeakPolarHBondContact O-CB 3.38Å; P350-S359 PolarHBondContact O-OG 3.24Å; P350-S359 VanDerWaalsContact O-OG 3.08Å; R354-S359 WeakPolarHBondContact O-CB 3.13Å; A356-S359 WeakPolarHBondContact O-CB 3.45Å; A356-S359 PolarHBondContact O-N 3.35Å; A356-S359 PolarHBondContact O-OG 2.89Å; V357-S359 PolarHBondContact O-N 2.93Å; S359-A361 PolarHBondContact O-N 2.87Å |
| 360 | D | 96.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 37.6 Ų | 37.6 | 16% | 0.16 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -58.1 | 137 | 171.5 | -63.8 | -16.3 | 0 | 0 | 0 | 109 | K11 S351 K352 D362 | K11-D360 WeakPolarHBondContact CE-OD1 3.37Å; K11-D360 IonicContact NZ-OD1 2.66Å; K11-D360 PolarHBondContact NZ-OD1 3.33Å; S351-D360 VanDerWaalsContact O-CB 3.29Å; S351-D360 WeakPolarHBondContact O-CB 3.4Å; S351-D360 PolarHBondContact O-N 2.83Å; K352-D360 IonicContact NZ-OD2 3.48Å; K352-D360 PolarHBondContact NZ-OD2 2.89Å; D360-D362 PolarHBondContact O-N 3.24Å |
| 361 | A | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -78 | 61 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | I7 G10 I12 S359 I401 G403 G404 | I7-A361 HydrophobicContact CB-CB 4.33Å; I7-A361 HydrophobicContact CD1-CB 4.04Å; I7-A361 HydrophobicContact CG1-CB 3.91Å; I7-A361 HydrophobicContact CG2-CB 3.53Å; G10-A361 WeakPolarHBondContact O-CB 3.43Å; G10-A361 PolarHBondContact O-N 3.27Å; I12-A361 HydrophobicContact CG1-CB 4.31Å; S359-A361 PolarHBondContact O-N 2.87Å; A361-I401 WeakPolarHBondContact O-CG2 3.37Å; A361-G403 PolarHBondContact O-N 3.49Å; A361-G404 PolarHBondContact O-N 3.45Å | ||
| 362 | D | 97.5 | Very high | 95 | Very high | 9 Ų | 9 | 40 Ų | 40 | 5% | 0.048 | 20% | 0.203 | C | C | . | . | trans | -101.4 | 92.6 | 173.4 | -71.6 | -12.4 | 0 | 0 | 0 | 108.2 | G38 T72 K352 D360 I401 V402 G403 | G38-D362 PolarHBondContact N-O 2.93Å; T72-D362 HydrophobicContact CG2-CB 4.3Å; K352-D362 IonicContact NZ-OD2 2.63Å; K352-D362 PolarHBondContact NZ-OD2 2.94Å; D360-D362 PolarHBondContact O-N 3.24Å; D362-I401 CarbonylContact C-O 3.46Å; D362-I401 WeakPolarHBondContact CA-O 3.48Å; D362-V402 WeakPolarHBondContact OD1-CA 3.24Å; D362-G403 PolarHBondContact OD1-N 2.89Å | ||
| 363 | L | 96.3 | Very high | 95 | Very high | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 157.1 | -167.2 | -59.6 | 174.4 | 0 | 0 | 0 | 111 | I7 I12 L35 A36 V355 I401 | I7-L363 HydrophobicContact CD1-CD1 3.93Å; I12-L363 HydrophobicContact CD1-CD2 4.19Å; L35-L363 HydrophobicContact CD1-CB 4.06Å; L35-L363 HydrophobicContact CD1-CD1 4.25Å; A36-L363 WeakPolarHBondContact O-CA 3.2Å; V355-L363 HydrophobicContact CG1-CD2 4.45Å; V355-L363 HydrophobicContact CG2-CD2 3.95Å; L363-I401 HydrophobicContact CB-CB 4.26Å; L363-I401 HydrophobicContact CB-CD1 4.4Å; L363-I401 PolarHBondContact N-O 3.44Å; L363-I401 PolarHBondContact O-N 3.45Å |
| 364 | V | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 130.3 | 169.9 | 65.1 | 0 | 0 | 0 | 0 | 109.1 | A36 M316 W366 P397 I399 | A36-V364 HydrophobicContact CB-CG1 3.83Å; A36-V364 PolarHBondContact N-O 3.37Å; A36-V364 PolarHBondContact O-N 3.25Å; M316-V364 HydrophobicContact CE-CG1 4.26Å; V364-W366 HydrophobicContact CG2-CE3 4.26Å; V364-P397 HydrophobicContact CG2-CB 3.64Å; V364-I399 WeakPolarHBondContact CA-O 3.46Å |
| 365 | V | 94.5 | Very high | 95.2 | Very high | 8 Ų | 8 | 39.2 Ų | 39.2 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 110.1 | 164.6 | 178 | 0 | 0 | 0 | 0 | 106.5 | L30 L33 L35 V398 I399 | L30-V365 HydrophobicContact CD1-CB 4.41Å; L30-V365 HydrophobicContact CD1-CG1 3.77Å; L30-V365 HydrophobicContact CD1-CG2 3.81Å; L33-V365 HydrophobicContact CB-CG1 3.76Å; L33-V365 HydrophobicContact CD1-CG1 3.31Å; L33-V365 HydrophobicContact CG-CG1 4.12Å; L35-V365 HydrophobicContact CD1-CG2 4.06Å; V365-V398 HydrophobicContact CG1-CB 4.42Å; V365-V398 PolarHBondContact O-N 3.26Å; V365-I399 HydrophobicContact CB-CB 3.88Å; V365-I399 HydrophobicContact CB-CG1 4.31Å; V365-I399 HydrophobicContact CG2-CB 3.9Å; V365-I399 HydrophobicContact CG2-CD1 4.3Å; V365-I399 HydrophobicContact CG2-CG1 4.42Å; V365-I399 PolarHBondContact N-O 2.83Å; V365-I399 PolarHBondContact O-N 2.64Å |
| 366 | W | 94.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.015 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 122.8 | -174.8 | -171.9 | -89.6 | 0 | 0 | 0 | 110.6 | L34 M316 M317 W320 V364 P368 G395 P397 | L34-W366 HydrophobicContact CB-CB 4.32Å; L34-W366 PolarHBondContact N-O 3.02Å; L34-W366 PolarHBondContact O-N 3.43Å; M316-W366 HydrophobicContact CB-CH2 3.88Å; M316-W366 HydrophobicContact CB-CZ3 3.95Å; M316-W366 HydrophobicContact CE-CE3 4.19Å; M316-W366 HydrophobicContact CE-CZ3 3.92Å; M317-W366 HydrophobicContact CG-CH2 3.83Å; W320-W366 HydrophobicContact CB-CZ2 3.7Å; W320-W366 AromaticContact CD2-CE2 3.87Å; W320-W366 HydrophobicContact CD2-CZ2 4.01Å; W320-W366 AromaticContact CD2-NE1 3.31Å; W320-W366 VanDerWaalsContact CD2-NE1 3.31Å; W320-W366 AromaticContact CE2-NE1 3.5Å; W320-W366 AromaticContact CE3-CE2 3.92Å; W320-W366 HydrophobicContact CE3-CZ2 4.23Å; W320-W366 AromaticContact CE3-NE1 3.47Å; W320-W366 AromaticContact CG-CZ2 3.77Å; W320-W366 HydrophobicContact CG-CZ2 3.77Å; W320-W366 AromaticContact CG-NE1 3.85Å; W320-W366 AromaticContact CZ2-NE1 3.87Å; W320-W366 AromaticContact CZ3-NE1 3.83Å; V364-W366 HydrophobicContact CG2-CE3 4.26Å; W366-P368 WeakPolarHBondContact O-CD 3.18Å; W366-G395 VanDerWaalsContact CE2-C 3.47Å; W366-G395 WeakPolarHBondContact CH2-O 3.41Å; W366-G395 WeakPolarHBondContact CZ2-O 3.26Å; W366-P397 HydrophobicContact CE3-CB 4.16Å; W366-P397 HydrophobicContact CZ3-CB 4.2Å; W366-P397 HydrophobicContact CZ3-CG 4.27Å |
| 367 | D | 94.3 | Very high | 95.5 | Very high | 41 Ų | 41 | 46.3 Ų | 46.3 | 22% | 0.219 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 108.7 | 170.8 | -175.4 | -20.1 | 0 | 0 | 0 | 109 | L33 F369 A370 G395 T396 V398 | L33-D367 HydrophobicContact CD2-CB 3.45Å; L33-D367 VanDerWaalsContact CD2-CB 3.45Å; D367-F369 PolarHBondContact O-N 3.15Å; D367-F369 WeakPolarHBondContact OD1-CA 3.42Å; D367-F369 PolarHBondContact OD1-N 3.45Å; D367-A370 HydrophobicContact CB-CB 3.64Å; D367-A370 VanDerWaalsContact CG-CB 3.5Å; D367-A370 PolarHBondContact OD1-N 3.01Å; D367-G395 CarbonylContact O-C 3.6Å; D367-G395 WeakPolarHBondContact O-CA 3.43Å; D367-T396 PolarHBondContact N-O 2.92Å; D367-T396 PolarHBondContact O-N 2.89Å; D367-V398 HydrophobicContact CB-CG2 3.55Å |
| 368 | P | 93.1 | Very high | 95.5 | Very high | 18 Ų | 18 | 48.8 Ų | 48.8 | 12% | 0.117 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | -14.3 | -178.4 | 30.5 | -35.4 | 0 | 0 | 0 | 113.9 | L34 W320 W366 G395 | L34-P368 HydrophobicContact CD1-CB 4.37Å; L34-P368 HydrophobicContact CD1-CG 4.43Å; W320-P368 HydrophobicContact CH2-CB 4.48Å; W320-P368 HydrophobicContact CZ2-CB 3.64Å; W366-P368 WeakPolarHBondContact O-CD 3.18Å; P368-G395 PolarHBondContact O-N 3.43Å |
| 369 | F | 93.2 | Very high | 95.6 | Very high | 155 Ų | 155 | 44.3 Ų | 44.3 | 68% | 0.68 | 22% | 0.224 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -16.9 | -176 | -54.8 | -65.8 | 0 | 0 | 0 | 113.4 | D367 E371 | D367-F369 PolarHBondContact O-N 3.15Å; D367-F369 WeakPolarHBondContact OD1-CA 3.42Å; D367-F369 PolarHBondContact OD1-N 3.45Å; F369-E371 PolarHBondContact O-N 3.01Å |
| 370 | A | 93.8 | Very high | 95.6 | Very high | 23 Ų | 23 | 47.5 Ų | 47.5 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57 | 133.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | D367 F394 G395 T396 | D367-A370 HydrophobicContact CB-CB 3.64Å; D367-A370 VanDerWaalsContact CG-CB 3.5Å; D367-A370 PolarHBondContact OD1-N 3.01Å; A370-F394 CarbonylContact O-C 3.58Å; A370-F394 VanDerWaalsContact O-CA 3.29Å; A370-F394 WeakPolarHBondContact O-CA 3.48Å; A370-G395 PolarHBondContact O-N 3.4Å; A370-T396 HydrophobicContact CB-CG2 4.35Å; A370-T396 WeakPolarHBondContact CB-OG1 3.25Å |
| 371 | E | 95.9 | Very high | 95.6 | Very high | 102 Ų | 102 | 46.5 Ų | 46.5 | 48% | 0.477 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 135.9 | 179 | 178.2 | 175.1 | 158.4 | 0 | 0 | 110.7 | F369 K392 C393 F394 | F369-E371 PolarHBondContact O-N 3.01Å; E371-K392 HydrophobicContact CG-CG 4.32Å; E371-K392 WeakPolarHBondContact OE1-CE 3.37Å; E371-K392 IonicContact OE1-NZ 2.67Å; E371-K392 PolarHBondContact OE1-NZ 2.9Å; E371-K392 WeakPolarHBondContact OE2-CE 3.43Å; E371-K392 IonicContact OE2-NZ 2.68Å; E371-K392 PolarHBondContact OE2-NZ 3.18Å; E371-C393 WeakPolarHBondContact CA-O 3.46Å; E371-F394 HydrophobicContact CB-CD1 4.14Å; E371-F394 HydrophobicContact CB-CE1 4.06Å; E371-F394 HydrophobicContact CG-CE1 4.29Å |
| 372 | K | 96.4 | Very high | 95.7 | Very high | 58 Ų | 58 | 51.3 Ų | 51.3 | 25% | 0.252 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 129.9 | 166.2 | -173.1 | 174.5 | -179.1 | -177.4 | 0 | 110.1 | E313 M317 L374 C393 T396 | E313-K372 IonicContact OE1-NZ 2.57Å; E313-K372 PolarHBondContact OE1-NZ 3.23Å; M317-K372 HydrophobicContact CE-CD 4.26Å; M317-K372 HydrophobicContact SD-CD 3.74Å; K372-L374 HydrophobicContact CD-CD2 4.32Å; K372-L374 HydrophobicContact CG-CD2 4.4Å; K372-C393 PolarHBondContact N-O 2.81Å; K372-C393 PolarHBondContact O-N 2.72Å; K372-T396 HydrophobicContact CB-CG2 3.67Å |
| 373 | I | 97.8 | Very high | 95.7 | Very high | 94 Ų | 94 | 51.2 Ų | 51.2 | 48% | 0.482 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 118.3 | 166 | -59.2 | 175.8 | 0 | 0 | 0 | 106.7 | S375 K392 | I373-S375 PolarHBondContact O-N 3.49Å; I373-K392 HydrophobicContact CG1-CB 4.41Å; I373-K392 HydrophobicContact CG1-CG 4.39Å |
| 374 | L | 97.8 | Very high | 95.7 | Very high | 7 Ų | 7 | 54.5 Ų | 54.5 | 4% | 0.037 | 27% | 0.27 | C | S | . | . | trans | -70.1 | 128.3 | 179.8 | -59.1 | 178.9 | 0 | 0 | 0 | 109.5 | E314 M317 I318 K372 Y388 G390 I391 | E314-L374 HydrophobicContact CB-CD1 4.14Å; E314-L374 HydrophobicContact CG-CD1 4.07Å; E314-L374 HydrophobicContact CG-CD2 4.42Å; M317-L374 HydrophobicContact CE-CD2 3.69Å; M317-L374 HydrophobicContact SD-CD2 4.13Å; I318-L374 HydrophobicContact CD1-CD1 3.68Å; I318-L374 HydrophobicContact CG1-CD1 4.14Å; K372-L374 HydrophobicContact CD-CD2 4.32Å; K372-L374 HydrophobicContact CG-CD2 4.4Å; L374-Y388 WeakPolarHBondContact CB-O 3.41Å; L374-G390 PolarHBondContact O-N 3.3Å; L374-I391 HydrophobicContact CD1-CB 4.37Å; L374-I391 PolarHBondContact N-O 3.23Å | ||
| 375 | S | 97.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 55.7 Ų | 55.7 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | trans | -153.2 | 144 | -179.3 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | I373 Q377 N378 Q379 E389 | I373-S375 PolarHBondContact O-N 3.49Å; S375-Q377 PolarHBondContact O-N 3.27Å; S375-Q377 PolarHBondContact OG-N 3.45Å; S375-N378 PolarHBondContact O-N 3.21Å; S375-Q379 PolarHBondContact O-N 2.68Å; S375-E389 WeakPolarHBondContact CA-OE1 3.29Å; S375-E389 WeakPolarHBondContact CA-OE2 3.34Å; S375-E389 VanDerWaalsContact CB-OE1 3.3Å; S375-E389 WeakPolarHBondContact CB-OE1 3.36Å; S375-E389 PolarHBondContact OG-OE1 2.7Å | ||
| 376 | T | 96.4 | Very high | 95.8 | Very high | 41 Ų | 41 | 56 Ų | 56 | 25% | 0.252 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -19.6 | 173.4 | 58.9 | 0 | 0 | 0 | 0 | 113.8 | N378 E389 | T376-N378 VanDerWaalsContact C-N 3.29Å; T376-N378 PolarHBondContact O-N 3.29Å; T376-E389 WeakPolarHBondContact CG2-OE2 3.33Å; T376-E389 PolarHBondContact N-OE2 3.13Å |
| 377 | Q | 95.4 | Very high | 95.9 | Very high | 166 Ų | 166 | 56.3 Ų | 56.3 | 78% | 0.776 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -26.6 | 177.9 | -64.8 | -174.7 | -9.3 | 0 | 0 | 113.4 | S375 | S375-Q377 PolarHBondContact O-N 3.27Å; S375-Q377 PolarHBondContact OG-N 3.45Å |
| 378 | N | 91.2 | Very high | 96.1 | Very high | 122 Ų | 122 | 54.3 Ų | 54.3 | 65% | 0.652 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -124.4 | 11.6 | -172.4 | -61.1 | -39.1 | 0 | 0 | 0 | 113.1 | S375 T376 | S375-N378 PolarHBondContact O-N 3.21Å; T376-N378 VanDerWaalsContact C-N 3.29Å; T376-N378 PolarHBondContact O-N 3.29Å |
| 379 | Q | 95.7 | Very high | 96.3 | Very high | 27 Ų | 27 | 57.9 Ų | 57.9 | 13% | 0.126 | 29% | 0.287 | C | S | . | . | trans | -87.2 | 158.9 | 177.9 | 74.8 | -176.9 | -3.6 | 0 | 0 | 111.6 | S375 A383 | S375-Q379 PolarHBondContact O-N 2.68Å; Q379-A383 PolarHBondContact NE2-O 3.45Å | ||
| 380 | W | 97.3 | Very high | 96.5 | Very high | 68 Ų | 68 | 52.9 Ų | 52.9 | 26% | 0.258 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -88.7 | -21.1 | 175.7 | -79.5 | 86.6 | 0 | 0 | 0 | 114.2 | K64 A65 A68 E313 F408 G411 V413 | K64-W380 HydrophobicContact CB-CB 4.46Å; K64-W380 HydrophobicContact CB-CD2 4.2Å; K64-W380 HydrophobicContact CB-CE3 3.78Å; K64-W380 HydrophobicContact CB-CZ3 4.43Å; K64-W380 HydrophobicContact CD-CE3 3.67Å; K64-W380 HydrophobicContact CD-CZ3 3.61Å; K64-W380 HydrophobicContact CG-CE3 4.31Å; A65-W380 HydrophobicContact CB-CB 3.94Å; A68-W380 HydrophobicContact CB-CG 4.1Å; E313-W380 PolarHBondContact OE2-N 2.98Å; W380-F408 HydrophobicContact CZ2-CE2 4.26Å; W380-F408 AromaticContact NE1-CE2 3.59Å; W380-G411 WeakPolarHBondContact CZ2-O 3.34Å; W380-V413 HydrophobicContact CD2-CG2 4.49Å; W380-V413 HydrophobicContact CE3-CG2 4.45Å; W380-V413 HydrophobicContact CH2-CB 4.26Å; W380-V413 HydrophobicContact CH2-CG2 3.84Å; W380-V413 HydrophobicContact CZ2-CG2 3.89Å; W380-V413 HydrophobicContact CZ3-CG2 4.15Å |
| 381 | S | 97.8 | Very high | 96.7 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -59.7 | 140 | 173.4 | 140.1 | 0 | 0 | 0 | 0 | 110.4 | D57 A383 | D57-S381 WeakPolarHBondContact OD2-CA 3.35Å; D57-S381 WeakPolarHBondContact OD2-CB 3.48Å; D57-S381 PolarHBondContact OD2-OG 2.79Å; D57-S381 VanDerWaalsContact OD2-OG 3.11Å; S381-A383 PolarHBondContact O-N 3.44Å; S381-A383 WeakPolarHBondContact OG-CB 3.24Å; S381-A383 PolarHBondContact OG-N 2.95Å |
| 382 | K | 97.8 | Very high | 96.8 | Very high | 102 Ų | 102 | 52.8 Ų | 52.8 | 44% | 0.443 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -72 | -6.1 | 175.2 | -71 | 168.3 | 178.4 | 156.6 | 0 | 113.2 | V56 D57 D58 S61 N291 | V56-K382 HydrophobicContact CB-CB 4.18Å; V56-K382 HydrophobicContact CG2-CB 4.08Å; V56-K382 VanDerWaalsContact O-CD 3.24Å; V56-K382 WeakPolarHBondContact O-CD 3.29Å; D57-K382 PolarHBondContact OD1-N 3.08Å; D57-K382 PolarHBondContact OD2-N 3.01Å; D58-K382 IonicContact OD1-NZ 2.77Å; D58-K382 PolarHBondContact OD1-NZ 2.91Å; D58-K382 VanDerWaalsContact OD1-NZ 3.08Å; D58-K382 IonicContact OD2-NZ 3.98Å; D58-K382 PolarHBondContact OD2-NZ 3.15Å; S61-K382 WeakPolarHBondContact OG-CD 3.37Å; S61-K382 WeakPolarHBondContact OG-CE 3.16Å; S61-K382 PolarHBondContact OG-NZ 2.83Å; N291-K382 PolarHBondContact OD1-O 3.36Å |
| 383 | A | 97.2 | Very high | 96.9 | Very high | 7 Ų | 7 | 50 Ų | 50 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | trans | -60.1 | 140.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | V56 A289 N291 T310 Q379 S381 | V56-A383 HydrophobicContact CG2-CB 4.4Å; A289-A383 HydrophobicContact CB-CB 4.19Å; N291-A383 WeakPolarHBondContact OD1-CA 3.35Å; T310-A383 HydrophobicContact CG2-CB 3.64Å; Q379-A383 PolarHBondContact NE2-O 3.45Å; S381-A383 PolarHBondContact O-N 3.44Å; S381-A383 WeakPolarHBondContact OG-CB 3.24Å; S381-A383 PolarHBondContact OG-N 2.95Å | ||
| 384 | D | 96.5 | Very high | 96.8 | Very high | 70 Ų | 70 | 49.1 Ų | 49.1 | 37% | 0.374 | 26% | 0.255 | S | S | . | . | S | Bend | trans | -91.5 | -6.1 | 172 | 66.6 | -4.8 | 0 | 0 | 0 | 113.4 | N291 S292 | N291-D384 WeakPolarHBondContact CA-OD1 3.44Å; N291-D384 PolarHBondContact OD1-N 3.25Å; S292-D384 WeakPolarHBondContact CB-OD2 3.41Å; S292-D384 PolarHBondContact N-OD1 3.11Å; S292-D384 PolarHBondContact N-OD2 3.27Å; S292-D384 PolarHBondContact OG-OD2 2.72Å |
| 385 | C | 94.8 | Very high | 96.7 | Very high | 25 Ų | 25 | 48.8 Ų | 48.8 | 17% | 0.169 | 25% | 0.253 | C | S | . | . | trans | -134.3 | 147.6 | 179.4 | 55.1 | 0 | 0 | 0 | 0 | 110.4 | A254 F290 | A254-C385 HydrophobicContact CB-CB 4.25Å; F290-C385 PolarHBondContact O-SG 2.97Å | ||
| 386 | S | 96.4 | Very high | 96.6 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 11% | 0.112 | 25% | 0.251 | C | S | . | . | trans | -142.4 | 139.4 | 179.1 | -178.7 | 0 | 0 | 0 | 0 | 110 | T310 Y388 | T310-S386 PolarHBondContact OG1-OG 2.98Å; S386-Y388 PolarHBondContact O-N 3.21Å; S386-Y388 WeakPolarHBondContact OG-CD2 3.45Å; S386-Y388 PolarHBondContact OG-N 3.38Å | ||
| 387 | I | 97.8 | Very high | 96.5 | Very high | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.046 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75 | -8.8 | 172.9 | 67 | 170.9 | 0 | 0 | 0 | 112 | A235 V239 A254 H255 V309 | A235-I387 HydrophobicContact CB-CD1 3.42Å; A235-I387 VanDerWaalsContact CB-CD1 3.42Å; V239-I387 VanDerWaalsContact CG1-O 3.31Å; V239-I387 WeakPolarHBondContact CG1-O 3.44Å; V239-I387 HydrophobicContact CG2-CB 4.21Å; V239-I387 HydrophobicContact CG2-CD1 3.85Å; V239-I387 HydrophobicContact CG2-CG1 4.3Å; A254-I387 WeakPolarHBondContact O-CG2 3.5Å; H255-I387 HydrophobicContact CB-CG2 4.41Å; V309-I387 HydrophobicContact CB-CD1 4.02Å; V309-I387 HydrophobicContact CB-CG2 4.37Å; V309-I387 HydrophobicContact CG1-CD1 4.18Å; V309-I387 HydrophobicContact CG1-CG2 3.83Å; V309-I387 HydrophobicContact CG2-CD1 3.98Å |
| 388 | Y | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | 4.2 | -178.7 | -46 | -74.9 | 0 | 0 | 0 | 112.8 | A235 A238 T310 E314 I318 L374 S386 G390 I391 | A235-Y388 PolarHBondContact N-OH 3.32Å; A238-Y388 HydrophobicContact CB-CD1 3.52Å; A238-Y388 HydrophobicContact CB-CE1 3.54Å; T310-Y388 VanDerWaalsContact O-CE2 3.26Å; T310-Y388 WeakPolarHBondContact O-CE2 3.39Å; T310-Y388 PolarHBondContact O-OH 2.76Å; E314-Y388 HydrophobicContact CB-CD1 4.44Å; E314-Y388 HydrophobicContact CB-CD2 3.82Å; E314-Y388 HydrophobicContact CB-CE2 3.99Å; E314-Y388 HydrophobicContact CB-CG 4.07Å; E314-Y388 HydrophobicContact CG-CD2 3.5Å; E314-Y388 HydrophobicContact CG-CE2 4.01Å; E314-Y388 HydrophobicContact CG-CG 3.96Å; E314-Y388 WeakPolarHBondContact OE1-CD2 3.46Å; I318-Y388 HydrophobicContact CD1-CD1 3.9Å; I318-Y388 HydrophobicContact CG1-CD1 3.93Å; I318-Y388 HydrophobicContact CG1-CE1 4.18Å; L374-Y388 WeakPolarHBondContact CB-O 3.41Å; S386-Y388 PolarHBondContact O-N 3.21Å; S386-Y388 WeakPolarHBondContact OG-CD2 3.45Å; S386-Y388 PolarHBondContact OG-N 3.38Å; Y388-G390 PolarHBondContact O-N 3.43Å; Y388-I391 HydrophobicContact CD1-CD1 4.38Å; Y388-I391 WeakPolarHBondContact O-CB 3.28Å; Y388-I391 WeakPolarHBondContact O-CG1 3.41Å; Y388-I391 PolarHBondContact O-N 2.77Å |
| 389 | E | 97.3 | Very high | 96.7 | Very high | 93 Ų | 93 | 36.4 Ų | 36.4 | 44% | 0.435 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | 127 | -176.1 | -167.1 | 64.3 | -148.4 | 0 | 0 | 111.7 | S375 T376 I391 | S375-E389 WeakPolarHBondContact CA-OE1 3.29Å; S375-E389 WeakPolarHBondContact CA-OE2 3.34Å; S375-E389 VanDerWaalsContact CB-OE1 3.3Å; S375-E389 WeakPolarHBondContact CB-OE1 3.36Å; S375-E389 PolarHBondContact OG-OE1 2.7Å; T376-E389 WeakPolarHBondContact CG2-OE2 3.33Å; T376-E389 PolarHBondContact N-OE2 3.13Å; E389-I391 PolarHBondContact O-N 3.38Å |
| 390 | G | 97.4 | Very high | 96.7 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 51% | 0.505 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 77.3 | -1.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | L374 Y388 K392 | L374-G390 PolarHBondContact O-N 3.3Å; Y388-G390 PolarHBondContact O-N 3.43Å; G390-K392 PolarHBondContact O-N 3.32Å |
| 391 | I | 97.8 | Very high | 96.7 | Very high | 31 Ų | 31 | 32.9 Ų | 32.9 | 16% | 0.159 | 18% | 0.179 | C | C | . | . | trans | -70.2 | 116.3 | 175.7 | -61 | 179.9 | 0 | 0 | 0 | 109.1 | A238 V239 I318 L374 Y388 E389 | A238-I391 HydrophobicContact CB-CD1 4.01Å; V239-I391 HydrophobicContact CG1-CD1 4.19Å; I318-I391 HydrophobicContact CD1-CB 4.5Å; I318-I391 HydrophobicContact CD1-CD1 4.06Å; I318-I391 HydrophobicContact CD1-CG2 3.91Å; L374-I391 HydrophobicContact CD1-CB 4.37Å; L374-I391 PolarHBondContact N-O 3.23Å; Y388-I391 HydrophobicContact CD1-CD1 4.38Å; Y388-I391 WeakPolarHBondContact O-CB 3.28Å; Y388-I391 WeakPolarHBondContact O-CG1 3.41Å; Y388-I391 PolarHBondContact O-N 2.77Å; E389-I391 PolarHBondContact O-N 3.38Å | ||
| 392 | K | 98.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 32.7 Ų | 32.7 | 40% | 0.4 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 123.9 | 172.2 | -176.5 | 171.7 | 168.6 | 145.1 | 0 | 110.5 | E371 I373 G390 F394 | E371-K392 HydrophobicContact CG-CG 4.32Å; E371-K392 WeakPolarHBondContact OE1-CE 3.37Å; E371-K392 IonicContact OE1-NZ 2.67Å; E371-K392 PolarHBondContact OE1-NZ 2.9Å; E371-K392 WeakPolarHBondContact OE2-CE 3.43Å; E371-K392 IonicContact OE2-NZ 2.68Å; E371-K392 PolarHBondContact OE2-NZ 3.18Å; I373-K392 HydrophobicContact CG1-CB 4.41Å; I373-K392 HydrophobicContact CG1-CG 4.39Å; G390-K392 PolarHBondContact O-N 3.32Å; K392-F394 HydrophobicContact CD-CE2 4.42Å; K392-F394 HydrophobicContact CD-CZ 4.48Å; K392-F394 HydrophobicContact CG-CE2 4.45Å |
| 393 | C | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 140.9 | 175.5 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | M317 Q321 E371 K372 | M317-C393 HydrophobicContact CB-CB 4.17Å; Q321-C393 HydrophobicContact CB-CB 4.14Å; Q321-C393 HydrophobicContact CG-CB 4.49Å; E371-C393 WeakPolarHBondContact CA-O 3.46Å; K372-C393 PolarHBondContact N-O 2.81Å; K372-C393 PolarHBondContact O-N 2.72Å |
| 394 | F | 96.9 | Very high | 96.3 | Very high | 76 Ų | 76 | 29.8 Ų | 29.8 | 33% | 0.333 | 18% | 0.177 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 138.7 | 161.2 | -61.9 | -88.4 | 0 | 0 | 0 | 108.2 | N325 A370 E371 K392 | N325-F394 PolarHBondContact ND2-O 3.41Å; A370-F394 CarbonylContact O-C 3.58Å; A370-F394 VanDerWaalsContact O-CA 3.29Å; A370-F394 WeakPolarHBondContact O-CA 3.48Å; E371-F394 HydrophobicContact CB-CD1 4.14Å; E371-F394 HydrophobicContact CB-CE1 4.06Å; E371-F394 HydrophobicContact CG-CE1 4.29Å; K392-F394 HydrophobicContact CD-CE2 4.42Å; K392-F394 HydrophobicContact CD-CZ 4.48Å; K392-F394 HydrophobicContact CG-CE2 4.45Å |
| 395 | G | 95.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 99.9 | 101.2 | -169 | 0 | 0 | 0 | 0 | 0 | 110.7 | W366 D367 P368 A370 | W366-G395 VanDerWaalsContact CE2-C 3.47Å; W366-G395 WeakPolarHBondContact CH2-O 3.41Å; W366-G395 WeakPolarHBondContact CZ2-O 3.26Å; D367-G395 CarbonylContact O-C 3.6Å; D367-G395 WeakPolarHBondContact O-CA 3.43Å; P368-G395 PolarHBondContact O-N 3.43Å; A370-G395 PolarHBondContact O-N 3.4Å |
| 396 | T | 95.1 | Very high | 96.3 | Very high | 17 Ų | 17 | 32.5 Ų | 32.5 | 10% | 0.104 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 153.5 | -179.2 | 70 | 0 | 0 | 0 | 0 | 112.1 | M317 D367 A370 K372 V398 | M317-T396 HydrophobicContact SD-CG2 4.01Å; D367-T396 PolarHBondContact N-O 2.92Å; D367-T396 PolarHBondContact O-N 2.89Å; A370-T396 HydrophobicContact CB-CG2 4.35Å; A370-T396 WeakPolarHBondContact CB-OG1 3.25Å; K372-T396 HydrophobicContact CB-CG2 3.67Å; T396-V398 PolarHBondContact O-N 3.34Å |
| 397 | P | 95.5 | Very high | 96.3 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 8% | 0.078 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 125.4 | 169.8 | 32.3 | -34.4 | 0 | 0 | 0 | 109.6 | A68 V364 W366 | A68-P397 WeakPolarHBondContact O-CG 2.88Å; V364-P397 HydrophobicContact CG2-CB 3.64Å; W366-P397 HydrophobicContact CE3-CB 4.16Å; W366-P397 HydrophobicContact CZ3-CB 4.2Å; W366-P397 HydrophobicContact CZ3-CG 4.27Å |
| 398 | V | 94.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 33% | 0.327 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | -43.8 | 173.4 | -175.5 | 0 | 0 | 0 | 0 | 110.2 | V365 D367 T396 | V365-V398 HydrophobicContact CG1-CB 4.42Å; V365-V398 PolarHBondContact O-N 3.26Å; D367-V398 HydrophobicContact CB-CG2 3.55Å; T396-V398 PolarHBondContact O-N 3.34Å |
| 399 | I | 95.5 | Very high | 96.2 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 133.9 | 178.7 | -51.2 | 176.4 | 0 | 0 | 0 | 108.5 | L30 V364 V365 I401 I406 F408 E409 | L30-I399 HydrophobicContact CD1-CD1 4.07Å; V364-I399 WeakPolarHBondContact CA-O 3.46Å; V365-I399 HydrophobicContact CB-CB 3.88Å; V365-I399 HydrophobicContact CB-CG1 4.31Å; V365-I399 HydrophobicContact CG2-CB 3.9Å; V365-I399 HydrophobicContact CG2-CD1 4.3Å; V365-I399 HydrophobicContact CG2-CG1 4.42Å; V365-I399 PolarHBondContact N-O 2.83Å; V365-I399 PolarHBondContact O-N 2.64Å; I399-I401 HydrophobicContact CG2-CG1 4.03Å; I399-I406 HydrophobicContact CG2-CG1 4.16Å; I399-I406 HydrophobicContact CG2-CG2 3.98Å; I399-F408 CarbonylContact C-O 3.33Å; I399-F408 WeakPolarHBondContact CA-O 3.36Å; I399-E409 VanDerWaalsContact CD1-OE1 3.3Å; I399-E409 WeakPolarHBondContact CD1-OE1 3.44Å; I399-E409 HydrophobicContact CG1-CG 4.18Å |
| 400 | T | 97.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 124.9 | 170.2 | -52.9 | 0 | 0 | 0 | 0 | 109.1 | L67 T72 A407 F408 | L67-T400 HydrophobicContact CD2-CG2 3.73Å; L67-T400 PolarHBondContact O-OG1 2.99Å; T72-T400 HydrophobicContact CG2-CG2 3.53Å; T400-A407 PolarHBondContact O-N 3Å; T400-F408 PolarHBondContact N-O 3.1Å; T400-F408 PolarHBondContact O-N 3.02Å; T400-F408 VanDerWaalsContact O-N 3.1Å |
| 401 | I | 96.6 | Very high | 95.7 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 11% | 0.113 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 130.5 | -177.6 | -55 | 175.6 | 0 | 0 | 0 | 108.2 | I7 T72 A361 D362 L363 I399 R405 | I7-I401 HydrophobicContact CD1-CD1 4.35Å; I7-I401 HydrophobicContact CD1-CG2 4.43Å; T72-I401 WeakPolarHBondContact CG2-O 3.43Å; A361-I401 WeakPolarHBondContact O-CG2 3.37Å; D362-I401 CarbonylContact C-O 3.46Å; D362-I401 WeakPolarHBondContact CA-O 3.48Å; L363-I401 HydrophobicContact CB-CB 4.26Å; L363-I401 HydrophobicContact CB-CD1 4.4Å; L363-I401 PolarHBondContact N-O 3.44Å; L363-I401 PolarHBondContact O-N 3.45Å; I399-I401 HydrophobicContact CG2-CG1 4.03Å; I401-R405 CarbonylContact C-O 3.57Å; I401-R405 VanDerWaalsContact CA-O 3.29Å; I401-R405 WeakPolarHBondContact CA-O 3Å; I401-R405 WeakPolarHBondContact CG2-O 3.36Å |
| 402 | V | 97.1 | Very high | 95.7 | Very high | 5 Ų | 5 | 39.6 Ų | 39.6 | 3% | 0.03 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 124.6 | 175.9 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | L67 T72 C103 D362 G404 R405 A407 | L67-V402 HydrophobicContact CD2-CG2 3.5Å; L67-V402 VanDerWaalsContact CD2-CG2 3.5Å; T72-V402 HydrophobicContact CG2-CG2 3.99Å; C103-V402 HydrophobicContact CB-CG2 4.18Å; D362-V402 WeakPolarHBondContact OD1-CA 3.24Å; V402-G404 PolarHBondContact O-N 3.41Å; V402-G404 VanDerWaalsContact O-N 3.15Å; V402-R405 PolarHBondContact N-O 3.24Å; V402-R405 PolarHBondContact O-N 2.87Å; V402-A407 HydrophobicContact CB-CB 4.1Å; V402-A407 HydrophobicContact CG2-CB 3.75Å |
| 403 | G | 94.6 | Very high | 95.6 | Very high | 28 Ų | 28 | 36.4 Ų | 36.4 | 29% | 0.289 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 38.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.9 | G10 A361 D362 R405 | G10-G403 VanDerWaalsContact CA-C 3.43Å; G10-G403 WeakPolarHBondContact CA-O 3.42Å; A361-G403 PolarHBondContact O-N 3.49Å; D362-G403 PolarHBondContact OD1-N 2.89Å; G403-R405 VanDerWaalsContact C-N 3.35Å; G403-R405 PolarHBondContact O-N 3.18Å |
| 404 | G | 93.4 | Very high | 95.6 | Very high | 20 Ų | 20 | 41.2 Ų | 41.2 | 21% | 0.206 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 15.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | A361 V402 | A361-G404 PolarHBondContact O-N 3.45Å; V402-G404 PolarHBondContact O-N 3.41Å; V402-G404 VanDerWaalsContact O-N 3.15Å |
| 405 | R | 94.4 | Very high | 95.5 | Very high | 115 Ų | 115 | 38.3 Ų | 38.3 | 43% | 0.434 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 139.1 | 173.3 | -63.1 | 176 | -65.7 | 177.1 | 0.6 | 109.9 | I401 V402 G403 A407 S419 | I401-R405 CarbonylContact C-O 3.57Å; I401-R405 VanDerWaalsContact CA-O 3.29Å; I401-R405 WeakPolarHBondContact CA-O 3Å; I401-R405 WeakPolarHBondContact CG2-O 3.36Å; V402-R405 PolarHBondContact N-O 3.24Å; V402-R405 PolarHBondContact O-N 2.87Å; G403-R405 VanDerWaalsContact C-N 3.35Å; G403-R405 PolarHBondContact O-N 3.18Å; R405-A407 PolarHBondContact O-N 3.3Å; R405-S419 PolarHBondContact NH2-O 2.6Å |
| 406 | I | 95.8 | Very high | 95.6 | Very high | 36 Ų | 36 | 42.7 Ų | 42.7 | 19% | 0.185 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 109.1 | 169.9 | -63.7 | 172.9 | 0 | 0 | 0 | 108.3 | N27 I399 E409 | N27-I406 WeakPolarHBondContact ND2-CD1 3.34Å; I399-I406 HydrophobicContact CG2-CG1 4.16Å; I399-I406 HydrophobicContact CG2-CG2 3.98Å; I406-E409 HydrophobicContact CG2-CB 3.64Å |
| 407 | A | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -28.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L67 T400 V402 R405 V413 K414 V415 | L67-A407 HydrophobicContact CD1-CB 3.95Å; L67-A407 HydrophobicContact CD2-CB 4.02Å; T400-A407 PolarHBondContact O-N 3Å; V402-A407 HydrophobicContact CB-CB 4.1Å; V402-A407 HydrophobicContact CG2-CB 3.75Å; R405-A407 PolarHBondContact O-N 3.3Å; A407-V413 CarbonylContact O-C 3.57Å; A407-V413 WeakPolarHBondContact O-CA 3.31Å; A407-K414 PolarHBondContact O-N 2.85Å; A407-V415 HydrophobicContact CB-CG1 4.22Å; A407-V415 HydrophobicContact CB-CG2 3.83Å |
| 408 | F | 97.7 | Very high | 95.7 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 6% | 0.057 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 132.1 | 174.7 | -178.1 | -92.5 | 0 | 0 | 0 | 110.3 | L67 A68 W380 I399 T400 G411 Q412 V413 | L67-F408 HydrophobicContact CB-CB 4.2Å; A68-F408 HydrophobicContact CB-CD2 4.06Å; A68-F408 HydrophobicContact CB-CE1 4.37Å; A68-F408 HydrophobicContact CB-CE2 3.54Å; A68-F408 HydrophobicContact CB-CZ 3.69Å; W380-F408 HydrophobicContact CZ2-CE2 4.26Å; W380-F408 AromaticContact NE1-CE2 3.59Å; I399-F408 CarbonylContact C-O 3.33Å; I399-F408 WeakPolarHBondContact CA-O 3.36Å; T400-F408 PolarHBondContact N-O 3.1Å; T400-F408 PolarHBondContact O-N 3.02Å; T400-F408 VanDerWaalsContact O-N 3.1Å; F408-G411 VanDerWaalsContact CE2-C 3.48Å; F408-G411 VanDerWaalsContact CZ-CA 3.46Å; F408-Q412 VanDerWaalsContact CA-O 3.3Å; F408-Q412 WeakPolarHBondContact CA-O 3.36Å; F408-Q412 WeakPolarHBondContact CD2-O 3.27Å; F408-V413 HydrophobicContact CD2-CG2 3.97Å |
| 409 | E | 95.5 | Very high | 95.8 | Very high | 35 Ų | 35 | 43.4 Ų | 43.4 | 16% | 0.164 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.3 | 149.4 | 178 | 178.8 | 175 | -118.7 | 0 | 0 | 108.5 | N27 I399 I406 G411 Q412 K414 | N27-E409 PolarHBondContact ND2-OE1 3.05Å; I399-E409 VanDerWaalsContact CD1-OE1 3.3Å; I399-E409 WeakPolarHBondContact CD1-OE1 3.44Å; I399-E409 HydrophobicContact CG1-CG 4.18Å; I406-E409 HydrophobicContact CG2-CB 3.64Å; E409-G411 PolarHBondContact O-N 3.28Å; E409-Q412 PolarHBondContact N-O 2.96Å; E409-Q412 PolarHBondContact O-N 3.16Å; E409-Q412 VanDerWaalsContact O-O 3.12Å; E409-K414 WeakPolarHBondContact O-CE 3.21Å |
| 410 | E | 91.4 | Very high | 95.9 | Very high | 149 Ų | 149 | 43.3 Ų | 43.3 | 70% | 0.696 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 35 | 179.8 | -65.8 | 164.8 | 157.9 | 0 | 0 | 113.6 | Q412 K414 | E410-Q412 PolarHBondContact O-N 3.43Å; E410-K414 IonicContact OE2-NZ 2.69Å; E410-K414 PolarHBondContact OE2-NZ 3.42Å |
| 411 | G | 92.9 | Very high | 96 | Very high | 40 Ų | 40 | 50 Ų | 50 | 41% | 0.412 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | 8.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | W380 F408 E409 | W380-G411 WeakPolarHBondContact CZ2-O 3.34Å; F408-G411 VanDerWaalsContact CE2-C 3.48Å; F408-G411 VanDerWaalsContact CZ-CA 3.46Å; E409-G411 PolarHBondContact O-N 3.28Å |
| 412 | Q | 96.4 | Very high | 96 | Very high | 110 Ų | 110 | 50.8 Ų | 50.8 | 51% | 0.514 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 144.8 | -175.7 | -63.9 | -60.8 | -35.8 | 0 | 0 | 112 | F408 E409 E410 | F408-Q412 VanDerWaalsContact CA-O 3.3Å; F408-Q412 WeakPolarHBondContact CA-O 3.36Å; F408-Q412 WeakPolarHBondContact CD2-O 3.27Å; E409-Q412 PolarHBondContact N-O 2.96Å; E409-Q412 PolarHBondContact O-N 3.16Å; E409-Q412 VanDerWaalsContact O-O 3.12Å; E410-Q412 PolarHBondContact O-N 3.43Å |
| 413 | V | 97 | Very high | 96.1 | Very high | 25 Ų | 25 | 52.2 Ų | 52.2 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 121.8 | 169.9 | 176.8 | 0 | 0 | 0 | 0 | 108.7 | K64 L67 Y102 W380 A407 F408 V415 | K64-V413 HydrophobicContact CB-CG2 4.01Å; K64-V413 HydrophobicContact CD-CG2 4.31Å; K64-V413 HydrophobicContact CG-CG1 4.38Å; K64-V413 HydrophobicContact CG-CG2 3.88Å; L67-V413 HydrophobicContact CD1-CG1 4.38Å; Y102-V413 HydrophobicContact CD1-CG1 3.37Å; Y102-V413 HydrophobicContact CE1-CG1 3.79Å; Y102-V413 HydrophobicContact CG-CG1 4.19Å; W380-V413 HydrophobicContact CD2-CG2 4.49Å; W380-V413 HydrophobicContact CE3-CG2 4.45Å; W380-V413 HydrophobicContact CH2-CB 4.26Å; W380-V413 HydrophobicContact CH2-CG2 3.84Å; W380-V413 HydrophobicContact CZ2-CG2 3.89Å; W380-V413 HydrophobicContact CZ3-CG2 4.15Å; A407-V413 CarbonylContact O-C 3.57Å; A407-V413 WeakPolarHBondContact O-CA 3.31Å; F408-V413 HydrophobicContact CD2-CG2 3.97Å; V413-V415 HydrophobicContact CG1-CG2 4.29Å |
| 414 | K | 97.3 | Very high | 96.3 | Very high | 101 Ų | 101 | 54.9 Ų | 54.9 | 44% | 0.439 | 30% | 0.304 | S | S | . | . | trans | -105.3 | 1.1 | -169.8 | -57.7 | -83.8 | -171.1 | 165.4 | 0 | 113.6 | A407 E409 E410 | A407-K414 PolarHBondContact O-N 2.85Å; E409-K414 WeakPolarHBondContact O-CE 3.21Å; E410-K414 IonicContact OE2-NZ 2.69Å; E410-K414 PolarHBondContact OE2-NZ 3.42Å | ||
| 415 | V | 96.3 | Very high | 96.5 | Very high | 16 Ų | 16 | 54.1 Ų | 54.1 | 10% | 0.097 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -112.6 | 150.6 | 176.6 | -69.7 | 0 | 0 | 0 | 0 | 111.5 | Y102 A407 V413 S419 | Y102-V415 HydrophobicContact CD1-CG2 4.08Å; Y102-V415 WeakPolarHBondContact CD1-O 3.16Å; Y102-V415 WeakPolarHBondContact CE1-O 3.24Å; A407-V415 HydrophobicContact CB-CG1 4.22Å; A407-V415 HydrophobicContact CB-CG2 3.83Å; V413-V415 HydrophobicContact CG1-CG2 4.29Å; V415-S419 WeakPolarHBondContact CG2-OG 3.45Å |
| 416 | P | 96.4 | Very high | 96.7 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 59% | 0.591 | 30% | 0.296 | S | S | * | . | trans | -73.5 | 162.4 | 178.4 | 30.5 | -35.4 | 0 | 0 | 0 | 112.2 | S419 | P416-S419 WeakPolarHBondContact O-CB 3.48Å; P416-S419 PolarHBondContact O-N 2.98Å; P416-S419 PolarHBondContact O-OG 3.22Å | ||
| 417 | A | 96.4 | Very high | 96.8 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 143.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | Y102 S419 | Y102-A417 HydrophobicContact CE1-CB 4.44Å; Y102-A417 HydrophobicContact CE2-CB 4.03Å; A417-S419 VanDerWaalsContact C-N 3.26Å; A417-S419 PolarHBondContact O-N 2.7Å |
| 418 | G | 96.4 | Very high | 96.8 | Very high | 33 Ų | 33 | 56.2 Ų | 56.2 | 34% | 0.34 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 12.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V101 | V101-G418 CarbonylContact O-C 3.09Å; V101-G418 VanDerWaalsContact O-CA 3.27Å; V101-G418 WeakPolarHBondContact O-CA 3.43Å; V101-G418 PolarHBondContact O-N 3.05Å |
| 419 | S | 96.7 | Very high | 96.8 | Very high | 14 Ų | 14 | 55.8 Ų | 55.8 | 10% | 0.098 | 32% | 0.319 | C | S | . | . | trans | -75.9 | -24.1 | 177.5 | 52.9 | 0 | 0 | 0 | 0 | 113.4 | V101 Y102 R405 V415 P416 A417 | V101-S419 PolarHBondContact O-N 3.37Å; V101-S419 VanDerWaalsContact O-N 3.12Å; Y102-S419 PolarHBondContact O-OG 3.5Å; R405-S419 PolarHBondContact NH2-O 2.6Å; V415-S419 WeakPolarHBondContact CG2-OG 3.45Å; P416-S419 WeakPolarHBondContact O-CB 3.48Å; P416-S419 PolarHBondContact O-N 2.98Å; P416-S419 PolarHBondContact O-OG 3.22Å; A417-S419 VanDerWaalsContact C-N 3.26Å; A417-S419 PolarHBondContact O-N 2.7Å | ||
| 420 | G | 97.5 | Very high | 96.9 | Very high | 5 Ų | 5 | 57.7 Ų | 57.7 | 5% | 0.052 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -78.2 | 153.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | V101 C103 | V101-G420 WeakPolarHBondContact CG2-O 3.19Å; V101-G420 PolarHBondContact O-N 3.37Å; C103-G420 WeakPolarHBondContact O-CA 3.43Å |
| 421 | K | 97.8 | Very high | 97.1 | Very high | 141 Ų | 141 | 54.3 Ų | 54.3 | 61% | 0.613 | 32% | 0.321 | S | S | * | . | trans | -114 | 146.2 | -175.3 | -61.7 | 175.3 | -175 | 172.5 | 0 | 111.8 | D104 Y105 I423 | D104-K421 WeakPolarHBondContact CA-O 3.4Å; D104-K421 PolarHBondContact OD1-N 3.47Å; Y105-K421 PolarHBondContact N-O 3.42Å; K421-I423 HydrophobicContact CB-CD1 4.33Å; K421-I423 PolarHBondContact O-N 3.5Å | ||
| 422 | Y | 98.6 | Very high | 97.3 | Very high | 39 Ų | 39 | 52.5 Ų | 52.5 | 15% | 0.153 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -67.5 | 124.1 | 164.3 | 179.7 | -108.8 | 0 | 0 | 0 | 109.7 | Y105 L107 H129 G130 | Y105-Y422 HydrophobicContact CD2-CD2 4.17Å; Y105-Y422 HydrophobicContact CE1-CD2 4.35Å; Y105-Y422 AromaticContact CE2-CD2 3.63Å; Y105-Y422 HydrophobicContact CE2-CD2 3.63Å; Y105-Y422 HydrophobicContact CE2-CE2 4.42Å; Y105-Y422 AromaticContact CZ-CD2 3.73Å; Y105-Y422 CarbonylContact O-C 3.52Å; Y105-Y422 WeakPolarHBondContact O-CA 3.17Å; L107-Y422 HydrophobicContact CB-CE2 4.33Å; L107-Y422 HydrophobicContact CD1-CE2 4.24Å; L107-Y422 HydrophobicContact CG-CE2 4.08Å; H129-Y422 WeakPolarHBondContact O-CE1 3.3Å; H129-Y422 PolarHBondContact O-OH 2.88Å; G130-Y422 PolarHBondContact O-OH 3.49Å |
| 423 | I | 98.4 | Very high | 97.4 | Very high | 34 Ų | 34 | 47.5 Ų | 47.5 | 17% | 0.174 | 28% | 0.279 | C | S | . | . | trans | -99.7 | 109.8 | 177 | -50.7 | -57.3 | 0 | 0 | 0 | 108.3 | M73 D104 Y105 L348 K421 V425 | M73-I423 HydrophobicContact CE-CB 4.12Å; M73-I423 HydrophobicContact CE-CG1 4.16Å; D104-I423 HydrophobicContact CB-CD1 4.16Å; D104-I423 HydrophobicContact CB-CG1 3.95Å; Y105-I423 PolarHBondContact O-N 3.03Å; L348-I423 HydrophobicContact CD2-CB 4.48Å; L348-I423 HydrophobicContact CD2-CG2 3.53Å; K421-I423 HydrophobicContact CB-CD1 4.33Å; K421-I423 PolarHBondContact O-N 3.5Å; I423-V425 WeakPolarHBondContact O-CG2 3.37Å; I423-V425 PolarHBondContact O-N 3.22Å | ||
| 424 | S | 97.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 49.5 Ų | 49.5 | 59% | 0.587 | 29% | 0.294 | S | S | * | . | trans | -67.2 | 128.1 | 172.1 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | G130 | G130-S424 VanDerWaalsContact CA-OG 3.24Å; G130-S424 WeakPolarHBondContact CA-OG 3.44Å | ||
| 425 | V | 97.9 | Very high | 97.2 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.024 | 30% | 0.296 | C | S | . | . | trans | -115.3 | 119.8 | -171.3 | -158.9 | 0 | 0 | 0 | 0 | 110.8 | A106 G130 N132 F346 N347 L348 I423 | A106-V425 HydrophobicContact CB-CG2 3.75Å; G130-V425 CarbonylContact C-O 3.53Å; G130-V425 WeakPolarHBondContact O-CA 3.37Å; G130-V425 VanDerWaalsContact O-CB 3.31Å; G130-V425 WeakPolarHBondContact O-CB 3.4Å; G130-V425 PolarHBondContact O-N 3.48Å; N132-V425 HydrophobicContact CB-CB 4.46Å; N132-V425 HydrophobicContact CB-CG1 4.35Å; N132-V425 VanDerWaalsContact CG-CG1 3.4Å; N132-V425 WeakPolarHBondContact ND2-CG1 3.13Å; F346-V425 WeakPolarHBondContact O-CG1 3.17Å; N347-V425 HydrophobicContact CB-CG1 4.34Å; L348-V425 HydrophobicContact CD2-CG1 4.27Å; L348-V425 HydrophobicContact CD2-CG2 4.25Å; L348-V425 HydrophobicContact CG-CG1 4.49Å; I423-V425 WeakPolarHBondContact O-CG2 3.37Å; I423-V425 PolarHBondContact O-N 3.22Å | ||
| 426 | A | 98.1 | Very high | 97.1 | Very high | 54 Ų | 54 | 50.8 Ų | 50.8 | 45% | 0.446 | 30% | 0.295 | S | S | . | . | trans | -72.4 | 146.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | N132 N347 | N132-A426 PolarHBondContact ND2-O 3.39Å; N347-A426 PolarHBondContact ND2-O 2.93Å | ||
| 427 | P | 98.2 | Very high | 97 | Very high | 42 Ų | 42 | 50.4 Ų | 50.4 | 27% | 0.273 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -69.1 | 178.3 | 171.5 | 30 | -34.5 | 0 | 0 | 0 | 112.2 | V126 L161 N347 C429 | V126-P427 HydrophobicContact CG1-CB 3.71Å; V126-P427 HydrophobicContact CG1-CG 3.85Å; L161-P427 VanDerWaalsContact O-CB 3.23Å; L161-P427 WeakPolarHBondContact O-CB 3.46Å; N347-P427 PolarHBondContact ND2-O 2.98Å; P427-C429 PolarHBondContact O-N 3.22Å |
| 428 | F | 97.7 | Very high | 96.8 | Very high | 99 Ų | 99 | 53.4 Ų | 53.4 | 43% | 0.434 | 30% | 0.298 | S | S | . | . | S | Bend | trans | 57.2 | 46.3 | 177.6 | -59.9 | -81.2 | 0 | 0 | 0 | 113.1 | G162 P430 F433 | G162-F428 VanDerWaalsContact CA-CE1 3.5Å; G162-F428 PolarHBondContact O-N 3.46Å; F428-P430 WeakPolarHBondContact O-CD 3.45Å; F428-P430 VanDerWaalsContact O-N 3.14Å; F428-F433 HydrophobicContact CD1-CB 4.43Å; F428-F433 HydrophobicContact CD1-CD1 4.06Å; F428-F433 HydrophobicContact CD1-CG 4.22Å |
| 429 | C | 97.6 | Very high | 96.5 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 3% | 0.027 | 30% | 0.302 | C | S | . | . | trans | -42.4 | 121.3 | 171.6 | 164.4 | 0 | 0 | 0 | 0 | 110.6 | K344 L345 N347 P427 L431 A432 F433 | K344-C429 PolarHBondContact O-SG 2.92Å; L345-C429 PolarHBondContact O-SG 3.45Å; N347-C429 HydrophobicContact CB-CB 4.03Å; P427-C429 PolarHBondContact O-N 3.22Å; C429-L431 VanDerWaalsContact C-N 3.29Å; C429-L431 PolarHBondContact O-N 3.35Å; C429-L431 PolarHBondContact SG-N 2.9Å; C429-A432 HydrophobicContact CB-CB 4.18Å; C429-A432 PolarHBondContact O-N 3.35Å; C429-F433 WeakPolarHBondContact O-CB 3.4Å; C429-F433 PolarHBondContact O-N 3.08Å | ||
| 430 | P | 97.6 | Very high | 96.2 | Very high | 75 Ų | 75 | 57.1 Ų | 57.1 | 49% | 0.487 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.7 | -38.5 | -176.5 | -29.7 | 36.2 | 0 | 0 | 0 | 113.7 | N347 F428 A432 S434 | N347-P430 VanDerWaalsContact OD1-CD 3.26Å; N347-P430 WeakPolarHBondContact OD1-CD 3.46Å; F428-P430 WeakPolarHBondContact O-CD 3.45Å; F428-P430 VanDerWaalsContact O-N 3.14Å; P430-A432 VanDerWaalsContact C-N 3.28Å; P430-A432 PolarHBondContact O-N 2.91Å; P430-S434 WeakPolarHBondContact CA-OG 3.46Å; P430-S434 WeakPolarHBondContact O-CB 3.37Å; P430-S434 PolarHBondContact O-N 3.15Å; P430-S434 VanDerWaalsContact O-N 3.1Å; P430-S434 PolarHBondContact O-OG 3.27Å |
| 431 | L | 96.7 | Very high | 96 | Very high | 79 Ų | 79 | 59.6 Ų | 59.6 | 41% | 0.414 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.2 | -38 | 178.5 | 179.7 | 63.4 | 0 | 0 | 0 | 112.1 | F229 K344 L345 C429 | F229-L431 HydrophobicContact CE1-CD2 3.99Å; F229-L431 HydrophobicContact CE1-CG 4.01Å; F229-L431 HydrophobicContact CZ-CD2 4.29Å; F229-L431 HydrophobicContact CZ-CG 3.96Å; K344-L431 HydrophobicContact CB-CD2 3.82Å; L345-L431 HydrophobicContact CB-CD2 4.44Å; C429-L431 VanDerWaalsContact C-N 3.29Å; C429-L431 PolarHBondContact O-N 3.35Å; C429-L431 PolarHBondContact SG-N 2.9Å |
| 432 | A | 96.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 1% | 0.008 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -89.4 | -36.9 | -177 | 0 | 0 | 0 | 0 | 0 | 112.8 | P203 I227 F229 C429 P430 | P203-A432 HydrophobicContact CB-CB 3.83Å; P203-A432 HydrophobicContact CG-CB 3.95Å; P203-A432 WeakPolarHBondContact CG-O 3.48Å; I227-A432 VanDerWaalsContact CD1-O 3.23Å; I227-A432 WeakPolarHBondContact CD1-O 3.41Å; F229-A432 HydrophobicContact CE2-CB 4.17Å; C429-A432 HydrophobicContact CB-CB 4.18Å; C429-A432 PolarHBondContact O-N 3.35Å; P430-A432 VanDerWaalsContact C-N 3.28Å; P430-A432 PolarHBondContact O-N 2.91Å |
| 433 | F | 97.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 61 Ų | 61 | 2% | 0.022 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -108.3 | -19.7 | -166.5 | -76.8 | -88.2 | 0 | 0 | 0 | 115.5 | G162 P203 F428 C429 R435 I436 V437 | G162-F433 VanDerWaalsContact C-CE2 3.45Å; G162-F433 VanDerWaalsContact CA-CZ 3.48Å; G162-F433 VanDerWaalsContact O-CE2 3.27Å; G162-F433 WeakPolarHBondContact O-CE2 3.31Å; P203-F433 HydrophobicContact CG-CD1 4.26Å; P203-F433 HydrophobicContact CG-CD2 4.18Å; P203-F433 HydrophobicContact CG-CE1 3.95Å; P203-F433 HydrophobicContact CG-CE2 3.86Å; P203-F433 HydrophobicContact CG-CG 4.37Å; P203-F433 HydrophobicContact CG-CZ 3.74Å; F428-F433 HydrophobicContact CD1-CB 4.43Å; F428-F433 HydrophobicContact CD1-CD1 4.06Å; F428-F433 HydrophobicContact CD1-CG 4.22Å; C429-F433 WeakPolarHBondContact O-CB 3.4Å; C429-F433 PolarHBondContact O-N 3.08Å; F433-R435 VanDerWaalsContact C-N 3.29Å; F433-R435 PolarHBondContact O-N 3.14Å; F433-I436 HydrophobicContact CD1-CD1 4.17Å; F433-I436 HydrophobicContact CE1-CD1 4.43Å; F433-I436 WeakPolarHBondContact O-CA 3.48Å; F433-I436 WeakPolarHBondContact O-CB 3.49Å; F433-I436 PolarHBondContact O-N 2.92Å; F433-V437 WeakPolarHBondContact O-CG2 3.46Å; F433-V437 PolarHBondContact O-N 3.29Å |
| 434 | S | 96.2 | Very high | 94.9 | Very high | 67 Ų | 67 | 62 Ų | 62 | 47% | 0.469 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.6 | -40 | -174 | -57.9 | 0 | 0 | 0 | 0 | 113 | P430 I436 M438 | P430-S434 WeakPolarHBondContact CA-OG 3.46Å; P430-S434 WeakPolarHBondContact O-CB 3.37Å; P430-S434 PolarHBondContact O-N 3.15Å; P430-S434 VanDerWaalsContact O-N 3.1Å; P430-S434 PolarHBondContact O-OG 3.27Å; S434-I436 VanDerWaalsContact C-N 3.34Å; S434-M438 WeakPolarHBondContact O-CB 3.49Å; S434-M438 PolarHBondContact O-N 3.12Å; S434-M438 VanDerWaalsContact O-N 3.1Å |
| 435 | R | 94.5 | Very high | 94.5 | Very high | 127 Ų | 127 | 64.4 Ų | 64.4 | 48% | 0.479 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -66.5 | -35.8 | 176.7 | -68.6 | -174.2 | -65.7 | 175.8 | -3.8 | 112.3 | I227 F433 T439 | I227-R435 HydrophobicContact CD1-CB 3.98Å; I227-R435 VanDerWaalsContact CG1-NH2 3.3Å; F433-R435 VanDerWaalsContact C-N 3.29Å; F433-R435 PolarHBondContact O-N 3.14Å; R435-T439 WeakPolarHBondContact O-CB 3.28Å; R435-T439 PolarHBondContact O-N 2.99Å; R435-T439 PolarHBondContact O-OG1 2.99Å |
| 436 | I | 94.5 | Very high | 94.2 | Very high | 17 Ų | 17 | 67.9 Ų | 67.9 | 9% | 0.087 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.8 | -51.8 | 178.3 | -64.1 | 170.2 | 0 | 0 | 0 | 109.3 | G201 P203 I227 F433 S434 M438 T439 D440 | G201-I436 WeakPolarHBondContact O-CD1 3.35Å; P203-I436 VanDerWaalsContact CD-CD1 3.44Å; P203-I436 HydrophobicContact CG-CD1 3.42Å; P203-I436 VanDerWaalsContact CG-CD1 3.42Å; I227-I436 HydrophobicContact CD1-CD1 3.87Å; I227-I436 HydrophobicContact CD1-CG1 3.6Å; F433-I436 HydrophobicContact CD1-CD1 4.17Å; F433-I436 HydrophobicContact CE1-CD1 4.43Å; F433-I436 WeakPolarHBondContact O-CA 3.48Å; F433-I436 WeakPolarHBondContact O-CB 3.49Å; F433-I436 PolarHBondContact O-N 2.92Å; S434-I436 VanDerWaalsContact C-N 3.34Å; I436-M438 VanDerWaalsContact C-N 3.26Å; I436-M438 PolarHBondContact O-N 2.99Å; I436-T439 PolarHBondContact O-N 2.92Å; I436-D440 WeakPolarHBondContact O-CB 3.45Å; I436-D440 PolarHBondContact O-N 3.32Å |
| 437 | V | 93.1 | Very high | 93.7 | Very high | 83 Ų | 83 | 68.2 Ų | 68.2 | 50% | 0.503 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -54.2 | -45 | 179.3 | 173.1 | 0 | 0 | 0 | 0 | 111 | F433 A441 | F433-V437 WeakPolarHBondContact O-CG2 3.46Å; F433-V437 PolarHBondContact O-N 3.29Å; V437-A441 WeakPolarHBondContact O-CB 3.46Å; V437-A441 PolarHBondContact O-N 3.12Å |
| 438 | M | 93.1 | Very high | 93 | Very high | 115 Ų | 115 | 71.9 Ų | 71.9 | 57% | 0.567 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.3 | -41.1 | 178 | -171.1 | 60.8 | -170.8 | 0 | 0 | 112.7 | S434 I436 A441 L442 | S434-M438 WeakPolarHBondContact O-CB 3.49Å; S434-M438 PolarHBondContact O-N 3.12Å; S434-M438 VanDerWaalsContact O-N 3.1Å; I436-M438 VanDerWaalsContact C-N 3.26Å; I436-M438 PolarHBondContact O-N 2.99Å; M438-A441 PolarHBondContact O-N 3.34Å; M438-L442 HydrophobicContact CE-CD1 4.12Å; M438-L442 HydrophobicContact CE-CD2 4.21Å; M438-L442 HydrophobicContact CE-CG 4.08Å; M438-L442 HydrophobicContact CG-CD1 4.37Å; M438-L442 WeakPolarHBondContact O-CG 3.34Å; M438-L442 PolarHBondContact O-N 3.16Å |
| 439 | T | 89.5 | Confident | 92.4 | Very high | 68 Ų | 68 | 71.4 Ų | 71.4 | 42% | 0.417 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.4 | -43.5 | 178.5 | -57.3 | 0 | 0 | 0 | 0 | 111 | R435 I436 L442 Q443 | R435-T439 WeakPolarHBondContact O-CB 3.28Å; R435-T439 PolarHBondContact O-N 2.99Å; R435-T439 PolarHBondContact O-OG1 2.99Å; I436-T439 PolarHBondContact O-N 2.92Å; T439-L442 PolarHBondContact O-N 2.79Å; T439-Q443 WeakPolarHBondContact O-CG 3.29Å; T439-Q443 PolarHBondContact O-N 3.36Å |
| 440 | D | 91.4 | Very high | 91.7 | Very high | 57 Ų | 57 | 76.1 Ų | 76.1 | 31% | 0.305 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 178.8 | -70.8 | -7.8 | 0 | 0 | 0 | 111.1 | R159 I436 L442 Q443 A444 | R159-D440 IonicContact CZ-OD1 2.77Å; R159-D440 IonicContact CZ-OD2 3.08Å; R159-D440 IonicContact NE-OD2 3.97Å; R159-D440 IonicContact NH2-OD1 3.12Å; R159-D440 PolarHBondContact NH2-OD1 3.43Å; R159-D440 IonicContact NH2-OD2 3.74Å; R159-D440 PolarHBondContact NH2-OD2 3.48Å; I436-D440 WeakPolarHBondContact O-CB 3.45Å; I436-D440 PolarHBondContact O-N 3.32Å; D440-L442 VanDerWaalsContact C-N 3.34Å; D440-L442 PolarHBondContact O-N 3.32Å; D440-Q443 PolarHBondContact O-N 3.23Å; D440-A444 WeakPolarHBondContact O-CB 3.47Å; D440-A444 PolarHBondContact O-N 2.83Å |
| 441 | A | 91.7 | Very high | 90.8 | Very high | 56 Ų | 56 | 79 Ų | 79 | 46% | 0.463 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.2 | -41.1 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | V437 M438 K445 | V437-A441 WeakPolarHBondContact O-CB 3.46Å; V437-A441 PolarHBondContact O-N 3.12Å; M438-A441 PolarHBondContact O-N 3.34Å; A441-K445 WeakPolarHBondContact O-CB 3.42Å; A441-K445 PolarHBondContact O-N 3.11Å |
| 442 | L | 92.2 | Very high | 89.7 | Confident | 92 Ų | 92 | 80.9 Ų | 80.9 | 48% | 0.482 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -67.6 | -41 | 176.4 | -73.1 | 169.8 | 0 | 0 | 0 | 112.3 | M438 T439 D440 K445 T446 | M438-L442 HydrophobicContact CE-CD1 4.12Å; M438-L442 HydrophobicContact CE-CD2 4.21Å; M438-L442 HydrophobicContact CE-CG 4.08Å; M438-L442 HydrophobicContact CG-CD1 4.37Å; M438-L442 WeakPolarHBondContact O-CG 3.34Å; M438-L442 PolarHBondContact O-N 3.16Å; T439-L442 PolarHBondContact O-N 2.79Å; D440-L442 VanDerWaalsContact C-N 3.34Å; D440-L442 PolarHBondContact O-N 3.32Å; L442-K445 PolarHBondContact O-N 3.09Å; L442-T446 WeakPolarHBondContact O-CB 3.4Å; L442-T446 PolarHBondContact O-N 3.45Å; L442-T446 PolarHBondContact O-OG1 3.46Å |
| 443 | Q | 90.4 | Very high | 88.5 | Confident | 118 Ų | 118 | 82.2 Ų | 82.2 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -64.2 | -44.4 | 176.5 | -73.6 | 178.7 | -0.6 | 0 | 0 | 111.3 | T439 D440 K445 T446 A447 | T439-Q443 WeakPolarHBondContact O-CG 3.29Å; T439-Q443 PolarHBondContact O-N 3.36Å; D440-Q443 PolarHBondContact O-N 3.23Å; Q443-K445 PolarHBondContact O-N 3.09Å; Q443-T446 PolarHBondContact O-N 2.95Å; Q443-A447 WeakPolarHBondContact O-CB 3.33Å; Q443-A447 PolarHBondContact O-N 3.06Å |
| 444 | A | 90.3 | Very high | 87.2 | Confident | 55 Ų | 55 | 88.5 Ų | 88.5 | 46% | 0.455 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -45.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D440 T446 A447 M448 | D440-A444 WeakPolarHBondContact O-CB 3.47Å; D440-A444 PolarHBondContact O-N 2.83Å; A444-T446 VanDerWaalsContact C-N 3.34Å; A444-T446 PolarHBondContact O-N 2.89Å; A444-A447 PolarHBondContact O-N 3.26Å; A444-M448 WeakPolarHBondContact O-CG 3.34Å; A444-M448 PolarHBondContact O-N 3.16Å |
| 445 | K | 89.7 | Confident | 85.8 | Confident | 135 Ų | 135 | 90 Ų | 90 | 59% | 0.587 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61 | -42 | 176.1 | -172.5 | 177.6 | -177.2 | 178.7 | 0 | 112.4 | A441 L442 Q443 M448 N449 | A441-K445 WeakPolarHBondContact O-CB 3.42Å; A441-K445 PolarHBondContact O-N 3.11Å; L442-K445 PolarHBondContact O-N 3.09Å; Q443-K445 PolarHBondContact O-N 3.09Å; K445-M448 PolarHBondContact O-N 2.78Å; K445-N449 PolarHBondContact O-N 3.39Å |
| 446 | T | 90.2 | Very high | 84.3 | Confident | 77 Ų | 77 | 90.6 Ų | 90.6 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -41.1 | 178.6 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | L442 Q443 A444 N449 N450 | L442-T446 WeakPolarHBondContact O-CB 3.4Å; L442-T446 PolarHBondContact O-N 3.45Å; L442-T446 PolarHBondContact O-OG1 3.46Å; Q443-T446 PolarHBondContact O-N 2.95Å; A444-T446 VanDerWaalsContact C-N 3.34Å; A444-T446 PolarHBondContact O-N 2.89Å; T446-N449 PolarHBondContact O-N 2.86Å; T446-N450 PolarHBondContact O-N 3.22Å; T446-N450 PolarHBondContact O-ND2 2.78Å |
| 447 | A | 88.1 | Confident | 82.9 | Confident | 60 Ų | 60 | 97.3 Ų | 97.3 | 50% | 0.496 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -41.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q443 A444 N450 F451 | Q443-A447 WeakPolarHBondContact O-CB 3.33Å; Q443-A447 PolarHBondContact O-N 3.06Å; A444-A447 PolarHBondContact O-N 3.26Å; A447-N450 PolarHBondContact O-N 2.84Å; A447-F451 PolarHBondContact O-N 2.92Å |
| 448 | M | 83.8 | Confident | 81.3 | Confident | 120 Ų | 120 | 102.3 Ų | 102.3 | 59% | 0.591 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.3 | -48.8 | 175 | -72.5 | 179.5 | 65.9 | 0 | 0 | 112.2 | A444 K445 N450 F451 E452 | A444-M448 WeakPolarHBondContact O-CG 3.34Å; A444-M448 PolarHBondContact O-N 3.16Å; K445-M448 PolarHBondContact O-N 2.78Å; M448-N450 VanDerWaalsContact C-N 3.28Å; M448-N450 PolarHBondContact O-N 2.89Å; M448-F451 WeakPolarHBondContact O-CB 3.49Å; M448-F451 PolarHBondContact O-N 3.22Å; M448-F451 VanDerWaalsContact O-N 3.09Å; M448-E452 PolarHBondContact O-N 2.9Å |
| 449 | N | 85.5 | Confident | 79.7 | Confident | 88 Ų | 88 | 102.3 Ų | 102.3 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 178.3 | -71.1 | -5 | 0 | 0 | 0 | 112.2 | K445 T446 G453 | K445-N449 PolarHBondContact O-N 3.39Å; T446-N449 PolarHBondContact O-N 2.86Å; N449-G453 PolarHBondContact O-N 2.9Å |
| 450 | N | 83.3 | Confident | 78.3 | Confident | 104 Ų | 104 | 103.1 Ų | 103.1 | 56% | 0.556 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -66.7 | -38.3 | 176.5 | -74.8 | -20.9 | 0 | 0 | 0 | 112 | T446 A447 M448 Q454 | T446-N450 PolarHBondContact O-N 3.22Å; T446-N450 PolarHBondContact O-ND2 2.78Å; A447-N450 PolarHBondContact O-N 2.84Å; M448-N450 VanDerWaalsContact C-N 3.28Å; M448-N450 PolarHBondContact O-N 2.89Å; N450-Q454 WeakPolarHBondContact O-CG 3.41Å; N450-Q454 PolarHBondContact O-N 3.04Å |
| 451 | F | 77.4 | Confident | 76.7 | Confident | 136 Ų | 136 | 110.7 Ų | 110.7 | 60% | 0.596 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66 | -46 | 176.4 | -169.9 | -95.9 | 0 | 0 | 0 | 111.6 | A447 M448 G453 Q454 H455 | A447-F451 PolarHBondContact O-N 2.92Å; M448-F451 WeakPolarHBondContact O-CB 3.49Å; M448-F451 PolarHBondContact O-N 3.22Å; M448-F451 VanDerWaalsContact O-N 3.09Å; F451-G453 PolarHBondContact O-N 3.04Å; F451-Q454 PolarHBondContact O-N 3.11Å; F451-H455 AromaticContact CE1-CD2 3.97Å; F451-H455 WeakPolarHBondContact O-CB 3.43Å; F451-H455 PolarHBondContact O-N 2.76Å |
| 452 | E | 73.6 | Confident | 75.1 | Confident | 118 Ų | 118 | 114.7 Ų | 114.7 | 55% | 0.551 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.8 | -43.9 | 175.2 | -72.6 | -177.5 | 171.4 | 0 | 0 | 112 | M448 Q454 H455 Q456 | M448-E452 PolarHBondContact O-N 2.9Å; E452-Q454 VanDerWaalsContact C-N 3.34Å; E452-Q454 PolarHBondContact O-N 3.29Å; E452-H455 PolarHBondContact O-N 3.48Å; E452-H455 VanDerWaalsContact O-N 3.15Å; E452-Q456 PolarHBondContact O-N 3.36Å |
| 453 | G | 72.5 | Confident | 73.4 | Confident | 29 Ų | 29 | 115.5 Ų | 115.5 | 30% | 0.299 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -62.7 | -37.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | N449 F451 K457 | N449-G453 PolarHBondContact O-N 2.9Å; F451-G453 PolarHBondContact O-N 3.04Å; G453-K457 WeakPolarHBondContact O-CG 2.78Å; G453-K457 PolarHBondContact O-N 3.31Å |
| 454 | Q | 70 | Confident | 71.3 | Confident | 137 Ų | 137 | 117.8 Ų | 117.8 | 64% | 0.64 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.9 | -40.3 | 172.3 | -76.4 | -174 | 7 | 0 | 0 | 111.8 | N450 F451 E452 K457 R458 | N450-Q454 WeakPolarHBondContact O-CG 3.41Å; N450-Q454 PolarHBondContact O-N 3.04Å; F451-Q454 PolarHBondContact O-N 3.11Å; E452-Q454 VanDerWaalsContact C-N 3.34Å; E452-Q454 PolarHBondContact O-N 3.29Å; Q454-K457 PolarHBondContact O-N 3.43Å; Q454-R458 WeakPolarHBondContact O-CB 3.33Å; Q454-R458 PolarHBondContact O-N 2.85Å |
| 455 | H | 67.6 | Low | 69.1 | Low | 98 Ų | 98 | 120.3 Ų | 120.3 | 45% | 0.454 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.8 | -41.1 | 177.9 | -140.7 | -66.3 | 0 | 0 | 0 | 111.8 | F451 E452 R458 M459 | F451-H455 AromaticContact CE1-CD2 3.97Å; F451-H455 WeakPolarHBondContact O-CB 3.43Å; F451-H455 PolarHBondContact O-N 2.76Å; E452-H455 PolarHBondContact O-N 3.48Å; E452-H455 VanDerWaalsContact O-N 3.15Å; H455-R458 PolarHBondContact O-N 3.29Å; H455-M459 PolarHBondContact O-N 3.17Å |
| 456 | Q | 62.4 | Low | 67 | Low | 139 Ų | 139 | 120.1 Ų | 120.1 | 65% | 0.65 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.9 | -43.8 | 172.9 | -97 | 177.7 | -13.6 | 0 | 0 | 112.3 | E452 R458 M459 T460 | E452-Q456 PolarHBondContact O-N 3.36Å; Q456-R458 VanDerWaalsContact C-N 3.29Å; Q456-R458 PolarHBondContact O-N 3.25Å; Q456-M459 PolarHBondContact O-N 3.24Å; Q456-T460 PolarHBondContact O-N 2.79Å; Q456-T460 PolarHBondContact O-OG1 3.29Å |
| 457 | K | 66.1 | Low | 64.8 | Low | 159 Ų | 159 | 119.6 Ų | 119.6 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.2 | -35.2 | 174.2 | -78.6 | -178.7 | -178.7 | 179.6 | 0 | 112.6 | G453 Q454 T460 R461 | G453-K457 WeakPolarHBondContact O-CG 2.78Å; G453-K457 PolarHBondContact O-N 3.31Å; Q454-K457 PolarHBondContact O-N 3.43Å; K457-T460 WeakPolarHBondContact CA-OG1 3.26Å; K457-T460 PolarHBondContact O-OG1 3.29Å; K457-R461 PolarHBondContact O-N 3.13Å |
| 458 | R | 59.6 | Low | 62.5 | Low | 188 Ų | 188 | 120.2 Ų | 120.2 | 71% | 0.709 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -71.3 | -41.8 | 177.5 | -140.2 | 175.9 | -177.6 | -176.5 | -0.1 | 111.3 | Q454 H455 Q456 R461 I462 | Q454-R458 WeakPolarHBondContact O-CB 3.33Å; Q454-R458 PolarHBondContact O-N 2.85Å; H455-R458 PolarHBondContact O-N 3.29Å; Q456-R458 VanDerWaalsContact C-N 3.29Å; Q456-R458 PolarHBondContact O-N 3.25Å; R458-R461 PolarHBondContact O-N 2.99Å; R458-I462 WeakPolarHBondContact O-CG1 3.38Å; R458-I462 PolarHBondContact O-N 3.15Å |
| 459 | M | 58.3 | Low | 60.4 | Low | 114 Ų | 114 | 121.3 Ų | 121.3 | 56% | 0.562 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.7 | -40.4 | 174.5 | -78 | -153.6 | -84.1 | 0 | 0 | 112.8 | H455 Q456 R461 I462 T463 | H455-M459 PolarHBondContact O-N 3.17Å; Q456-M459 PolarHBondContact O-N 3.24Å; M459-R461 VanDerWaalsContact C-N 3.26Å; M459-R461 PolarHBondContact O-N 2.78Å; M459-I462 PolarHBondContact O-N 3.18Å; M459-I462 VanDerWaalsContact O-N 3.11Å; M459-T463 PolarHBondContact O-N 3.34Å; M459-T463 VanDerWaalsContact O-N 3.09Å; M459-T463 PolarHBondContact O-OG1 2.86Å |
| 460 | T | 60.7 | Low | 58.3 | Low | 85 Ų | 85 | 122.6 Ų | 122.6 | 52% | 0.521 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -67 | -24.3 | 175.2 | 27.4 | 0 | 0 | 0 | 0 | 113.6 | Q456 K457 T463 K464 | Q456-T460 PolarHBondContact O-N 2.79Å; Q456-T460 PolarHBondContact O-OG1 3.29Å; K457-T460 WeakPolarHBondContact CA-OG1 3.26Å; K457-T460 PolarHBondContact O-OG1 3.29Å; T460-T463 PolarHBondContact O-OG1 3.2Å; T460-K464 PolarHBondContact O-N 3.16Å |
| 461 | R | 57.5 | Low | 56.1 | Low | 217 Ų | 217 | 126.2 Ų | 126.2 | 82% | 0.819 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -74.5 | -30.9 | 170.4 | -101.8 | -175.2 | 177.1 | -179 | -0.5 | 113.1 | K457 R458 M459 | K457-R461 PolarHBondContact O-N 3.13Å; R458-R461 PolarHBondContact O-N 2.99Å; M459-R461 VanDerWaalsContact C-N 3.26Å; M459-R461 PolarHBondContact O-N 2.78Å |
| 462 | I | 59 | Low | 54 | Low | 139 Ų | 139 | 123 Ų | 123 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -77.7 | -29.7 | 178.3 | -63.7 | 166.3 | 0 | 0 | 0 | 110.8 | R458 M459 | R458-I462 WeakPolarHBondContact O-CG1 3.38Å; R458-I462 PolarHBondContact O-N 3.15Å; M459-I462 PolarHBondContact O-N 3.18Å; M459-I462 VanDerWaalsContact O-N 3.11Å |
| 463 | T | 55.9 | Low | 52.4 | Low | 110 Ų | 110 | 125 Ų | 125 | 68% | 0.675 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -87.5 | -9.1 | 179.2 | 56.3 | 0 | 0 | 0 | 0 | 114.7 | M459 T460 P465 | M459-T463 PolarHBondContact O-N 3.34Å; M459-T463 VanDerWaalsContact O-N 3.09Å; M459-T463 PolarHBondContact O-OG1 2.86Å; T460-T463 PolarHBondContact O-OG1 3.2Å; T463-P465 WeakPolarHBondContact O-CD 3.18Å |
| 464 | K | 45.3 | Very low | 50.4 | Low | 166 Ų | 166 | 139.1 Ų | 139.1 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -85 | 115 | 168.2 | -87 | -171.7 | 173 | -173.9 | 0 | 109.3 | T460 | T460-K464 PolarHBondContact O-N 3.16Š|
| 465 | P | 43.9 | Very low | 49.4 | Very low | 108 Ų | 108 | 139.2 Ų | 139.2 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | trans | -62.9 | 145.4 | 176.2 | 27.6 | -32.9 | 0 | 0 | 0 | 109.7 | T463 G467 | T463-P465 WeakPolarHBondContact O-CD 3.18Å; P465-G467 PolarHBondContact O-N 3.05Å | ||
| 466 | P | 45.5 | Very low | 48.4 | Very low | 131 Ų | 131 | 141.4 Ų | 141.4 | 85% | 0.851 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -66.8 | 122 | 178.3 | 27.3 | -30.1 | 0 | 0 | 0 | 108.8 | ||
| 467 | G | 45.6 | Very low | 47.7 | Very low | 65 Ų | 65 | 141.5 Ų | 141.5 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | trans | 51.8 | 77.1 | 160 | 0 | 0 | 0 | 0 | 0 | 115.6 | P465 D469 | P465-G467 PolarHBondContact O-N 3.05Å; G467-D469 VanDerWaalsContact C-N 3.28Å; G467-D469 PolarHBondContact O-N 3.01Å | ||
| 468 | G | 40.1 | Very low | 46.6 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -73.5 | 93.9 | 144.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | S470 | G468-S470 VanDerWaalsContact C-N 3.33Å; G468-S470 PolarHBondContact O-N 3.08Å | ||
| 469 | D | 39.4 | Very low | 45.8 | Very low | 144 Ų | 144 | 137.5 Ų | 137.5 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -56.4 | 99.3 | 163.9 | -78.3 | -33.2 | 0 | 0 | 0 | 108 | G467 | G467-D469 VanDerWaalsContact C-N 3.28Å; G467-D469 PolarHBondContact O-N 3.01Å | ||
| 470 | S | 40.7 | Very low | 44.9 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 80% | 0.797 | 77% | 0.774 | S | S | * | * | trans | -94.2 | 91 | 156.3 | 37.9 | 0 | 0 | 0 | 0 | 106 | G468 G472 | G468-S470 VanDerWaalsContact C-N 3.33Å; G468-S470 PolarHBondContact O-N 3.08Å; S470-G472 VanDerWaalsContact C-N 3.35Å; S470-G472 PolarHBondContact O-N 2.61Å | ||
| 471 | H | 36.4 | Very low | 43.8 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | trans | -51.9 | 103.6 | 158.2 | -80.4 | -70.9 | 0 | 0 | 0 | 108.4 | ||||
| 472 | G | 34.5 | Very low | 42.7 | Very low | 69 Ų | 69 | 137.2 Ų | 137.2 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | trans | -130 | 72.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | S470 | S470-G472 VanDerWaalsContact C-N 3.35Å; S470-G472 PolarHBondContact O-N 2.61Å | ||
| 473 | L | 38.7 | Very low | 41.4 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -158.3 | 120.2 | 155.4 | -96.4 | 161.2 | 0 | 0 | 0 | 105.8 | ||||
| 474 | W | 30.7 | Very low | 40.1 | Very low | 326 Ų | 326 | 139.5 Ų | 139.5 | 100% | 1.235 | 81% | 0.807 | S | S | * | * | trans | 4.8 | 0 | 169.3 | -73.2 | 84.4 | 0 | 0 | 0 | 119.3 |
Retrieved 474 of 474 residues in 240.7 ms
(Link to these results)