| 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 | 34.4 | Very low | 40.9 | Very low | 243 Ų | 243 | 117.1 Ų | 117.1 | 100% | 1.197 | 62% | 0.62 | S | S | * | * | 0 | 109.6 | 0 | -78.6 | -176.9 | -101.2 | 0 | 0 | 106.9 | |||||
| 2 | S | 31.1 | Very low | 41.2 | Very low | 70 Ų | 70 | 118.4 Ų | 118.4 | 49% | 0.49 | 63% | 0.626 | S | S | . | * | trans | -67.9 | 132.4 | -174.6 | 147.3 | 0 | 0 | 0 | 0 | 110 | D4 S5 | S2-D4 PolarHBondContact O-N 3.16Å; S2-D4 VanDerWaalsContact O-N 3.16Å; S2-D4 VanDerWaalsContact OG-CB 3.26Å; S2-D4 WeakPolarHBondContact OG-CB 3.46Å; S2-D4 PolarHBondContact OG-N 2.89Å; S2-D4 PolarHBondContact OG-OD2 3Å; S2-S5 PolarHBondContact O-OG 3.01Å | ||
| 3 | V | 34.4 | Very low | 41.7 | Very low | 113 Ų | 113 | 112 Ų | 112 | 69% | 0.685 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -69.4 | -2.3 | 177.2 | -166.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 4 | D | 37.2 | Very low | 41.5 | Very low | 146 Ų | 146 | 114.6 Ų | 114.6 | 78% | 0.781 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -91.5 | 8.4 | -176.4 | -49.5 | -56.2 | 0 | 0 | 0 | 114.1 | S2 | S2-D4 PolarHBondContact O-N 3.16Å; S2-D4 VanDerWaalsContact O-N 3.16Å; S2-D4 VanDerWaalsContact OG-CB 3.26Å; S2-D4 WeakPolarHBondContact OG-CB 3.46Å; S2-D4 PolarHBondContact OG-N 2.89Å; S2-D4 PolarHBondContact OG-OD2 3Å |
| 5 | S | 36.3 | Very low | 41.9 | Very low | 107 Ų | 107 | 109.7 Ų | 109.7 | 75% | 0.748 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -91.6 | 5.5 | 179.5 | 50.9 | 0 | 0 | 0 | 0 | 114.5 | S2 | S2-S5 PolarHBondContact O-OG 3.01Š|
| 6 | V | 41.5 | Very low | 42.4 | Very low | 91 Ų | 91 | 105.1 Ų | 105.1 | 55% | 0.552 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -100.8 | 116 | 177.5 | -175.4 | 0 | 0 | 0 | 0 | 109.9 | R8 | V6-R8 HydrophobicContact CB-CG 4.43Å; V6-R8 HydrophobicContact CG1-CG 3.98Å; V6-R8 PolarHBondContact O-N 3.48Å |
| 7 | F | 43.5 | Very low | 43 | Very low | 179 Ų | 179 | 106.4 Ų | 106.4 | 79% | 0.785 | 60% | 0.596 | S | S | * | * | trans | -63.7 | 102 | 167.9 | -124.8 | -86.9 | 0 | 0 | 0 | 108.5 | ||||
| 8 | R | 48.4 | Very low | 43.7 | Very low | 110 Ų | 110 | 102.8 Ų | 102.8 | 42% | 0.415 | 59% | 0.587 | S | S | . | * | trans | -99 | 135.8 | 173.6 | -64.7 | -176.3 | -179.4 | 175.1 | 0.3 | 109 | V6 R10 R241 | V6-R8 HydrophobicContact CB-CG 4.43Å; V6-R8 HydrophobicContact CG1-CG 3.98Å; V6-R8 PolarHBondContact O-N 3.48Å; R8-R10 WeakPolarHBondContact CB-O 3.33Å; R8-R10 PolarHBondContact O-N 3.2Å; R8-R241 PolarHBondContact O-NH1 3.21Å | ||
| 9 | T | 47.9 | Very low | 44.5 | Very low | 80 Ų | 80 | 98.6 Ų | 98.6 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -68.7 | -10.5 | 174.2 | 48.1 | 0 | 0 | 0 | 0 | 113 | S243 | T9-S243 PolarHBondContact O-OG 3.19Š|
| 10 | R | 48.7 | Very low | 45.6 | Very low | 114 Ų | 114 | 95.2 Ų | 95.2 | 43% | 0.43 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -163.4 | 164.7 | -176.9 | 62.3 | -179.1 | -174.5 | -169.2 | 2.4 | 113.9 | R8 | R8-R10 WeakPolarHBondContact CB-O 3.33Å; R8-R10 PolarHBondContact O-N 3.2Å |
| 11 | S | 46.7 | Very low | 47 | Very low | 35 Ų | 35 | 91.7 Ų | 91.7 | 25% | 0.245 | 52% | 0.524 | C | S | . | . | trans | -69.5 | 155.3 | 164.9 | -71 | 0 | 0 | 0 | 0 | 112.1 | D25 | S11-D25 WeakPolarHBondContact CB-OD2 3.14Å; S11-D25 PolarHBondContact OG-OD2 2.86Å | ||
| 12 | L | 44.8 | Very low | 49.2 | Very low | 133 Ų | 133 | 81.1 Ų | 81.1 | 70% | 0.696 | 47% | 0.472 | S | S | * | . | trans | -83.9 | 120 | 177.3 | -72.7 | 174.9 | 0 | 0 | 0 | 110.5 | ||||
| 13 | G | 47.5 | Very low | 51.3 | Low | 35 Ų | 35 | 79.2 Ų | 79.2 | 36% | 0.361 | 45% | 0.454 | S | S | . | . | trans | -156.5 | 141.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 14 | V | 39.3 | Very low | 53.1 | Low | 149 Ų | 149 | 75.2 Ų | 75.2 | 90% | 0.903 | 43% | 0.433 | S | S | * | . | trans | -88 | 128.8 | 170.8 | -175.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 15 | A | 46.7 | Very low | 54.7 | Low | 41 Ų | 41 | 71 Ų | 71 | 34% | 0.339 | 41% | 0.41 | S | S | . | . | trans | -105 | 169.5 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114 | L19 D21 | A15-L19 WeakPolarHBondContact CB-O 3.17Å; A15-D21 HydrophobicContact CB-CB 4.48Å | ||
| 16 | S | 50.6 | Low | 56.3 | Low | 36 Ų | 36 | 67 Ų | 67 | 25% | 0.252 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -59.6 | 152.8 | 151.3 | 59.5 | 0 | 0 | 0 | 0 | 110.2 | G18 L19 N118 | S16-G18 PolarHBondContact O-N 2.86Å; S16-L19 PolarHBondContact O-N 2.83Å; S16-N118 PolarHBondContact OG-ND2 2.74Å |
| 17 | V | 52.7 | Low | 57.9 | Low | 126 Ų | 126 | 68.5 Ų | 68.5 | 76% | 0.764 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | 122.9 | -167.8 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | L19 N118 | V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.29Å; V17-N118 PolarHBondContact O-ND2 2.82Å |
| 18 | G | 54.2 | Low | 59.3 | Low | 42 Ų | 42 | 60 Ų | 60 | 43% | 0.433 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.1 | -13.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | S16 P20 | S16-G18 PolarHBondContact O-N 2.86Å; G18-P20 WeakPolarHBondContact O-CD 3.3Å |
| 19 | L | 60 | Low | 60.4 | Low | 23 Ų | 23 | 54.9 Ų | 54.9 | 12% | 0.12 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -119.5 | 90.8 | -179.4 | -168.6 | 120.6 | 0 | 0 | 0 | 111.6 | A15 S16 V17 D21 A88 N118 W119 L146 | A15-L19 WeakPolarHBondContact CB-O 3.17Å; S16-L19 PolarHBondContact O-N 2.83Å; V17-L19 VanDerWaalsContact C-N 3.34Å; V17-L19 PolarHBondContact O-N 3.29Å; L19-D21 PolarHBondContact O-N 3.4Å; L19-A88 HydrophobicContact CD2-CB 3.81Å; L19-N118 VanDerWaalsContact CB-ND2 3.34Å; L19-N118 WeakPolarHBondContact CB-ND2 3.29Å; L19-W119 HydrophobicContact CD1-CE3 4.18Å; L19-W119 HydrophobicContact CD1-CZ3 4.43Å; L19-L146 HydrophobicContact CD1-CB 4.26Å; L19-L146 HydrophobicContact CD1-CD1 3.71Å; L19-L146 HydrophobicContact CD1-CG 4.48Å |
| 20 | P | 67.1 | Low | 61.6 | Low | 31 Ų | 31 | 58.7 Ų | 58.7 | 20% | 0.201 | 34% | 0.339 | C | S | . | . | trans | -52.5 | 122.5 | 179.8 | -24.6 | 33.4 | 0 | 0 | 0 | 112.6 | G18 Q22 F149 | G18-P20 WeakPolarHBondContact O-CD 3.3Å; P20-Q22 PolarHBondContact O-N 3.12Å; P20-Q22 VanDerWaalsContact O-N 3.1Å; P20-F149 HydrophobicContact CG-CE2 3.76Å; P20-F149 HydrophobicContact CG-CZ 3.95Å | ||
| 21 | D | 74.6 | Confident | 62.7 | Low | 21 Ų | 21 | 53.7 Ų | 53.7 | 11% | 0.112 | 32% | 0.321 | C | S | . | . | trans | -76 | 101.2 | 179.1 | -177.6 | 8.7 | 0 | 0 | 0 | 110.1 | A15 L19 Y23 A24 S89 | A15-D21 HydrophobicContact CB-CB 4.48Å; L19-D21 PolarHBondContact O-N 3.4Å; D21-Y23 PolarHBondContact O-N 2.89Å; D21-Y23 WeakPolarHBondContact OD1-CA 3.45Å; D21-Y23 VanDerWaalsContact OD1-CB 3.3Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.45Å; D21-Y23 PolarHBondContact OD1-N 3.33Å; D21-A24 HydrophobicContact CB-CB 4.05Å; D21-A24 WeakPolarHBondContact O-CB 3.36Å; D21-A24 PolarHBondContact O-N 3.24Å; D21-A24 PolarHBondContact OD1-N 3.17Å; D21-A24 PolarHBondContact OD2-N 3.5Å; D21-S89 PolarHBondContact OD1-OG 3.43Å; D21-S89 PolarHBondContact OD2-OG 2.8Å | ||
| 22 | Q | 79.3 | Confident | 63.8 | Low | 22 Ų | 22 | 52.8 Ų | 52.8 | 10% | 0.103 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -12.9 | 176.2 | -61.7 | -168.8 | 63.8 | 0 | 0 | 112.7 | P20 H145 L242 S243 | P20-Q22 PolarHBondContact O-N 3.12Å; P20-Q22 VanDerWaalsContact O-N 3.1Å; Q22-H145 PolarHBondContact NE2-ND1 3.01Å; Q22-H145 VanDerWaalsContact NE2-ND1 3.16Å; Q22-L242 HydrophobicContact CB-CD2 4.2Å; Q22-S243 PolarHBondContact NE2-O 3.24Å; Q22-S243 PolarHBondContact OE1-O 3.38Å |
| 23 | Y | 76.1 | Confident | 64.9 | Low | 29 Ų | 29 | 51.6 Ų | 51.6 | 11% | 0.114 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -0.5 | 179.2 | -51.4 | -82.1 | 0 | 0 | 0 | 113.1 | D21 D25 G26 A28 M92 H145 L242 | D21-Y23 PolarHBondContact O-N 2.89Å; D21-Y23 WeakPolarHBondContact OD1-CA 3.45Å; D21-Y23 VanDerWaalsContact OD1-CB 3.3Å; D21-Y23 WeakPolarHBondContact OD1-CB 3.45Å; D21-Y23 PolarHBondContact OD1-N 3.33Å; Y23-D25 PolarHBondContact O-N 3.23Å; Y23-D25 VanDerWaalsContact O-N 3.14Å; Y23-G26 WeakPolarHBondContact O-CA 3.27Å; Y23-G26 PolarHBondContact O-N 3.32Å; Y23-A28 HydrophobicContact CD1-CB 3.74Å; Y23-A28 HydrophobicContact CE1-CB 4.27Å; Y23-M92 HydrophobicContact CD1-CG 4.4Å; Y23-M92 HydrophobicContact CD1-SD 4.07Å; Y23-M92 HydrophobicContact CD2-CG 4.36Å; Y23-M92 HydrophobicContact CE1-CE 4.36Å; Y23-M92 HydrophobicContact CE1-SD 4.45Å; Y23-M92 HydrophobicContact CG-CG 4.1Å; Y23-M92 HydrophobicContact CG-SD 4.36Å; Y23-H145 PolarHBondContact OH-CE1 2.99Å; Y23-H145 VanDerWaalsContact OH-CE1 3.29Å; Y23-H145 PolarHBondContact OH-NE2 3.09Å; Y23-L242 HydrophobicContact CE1-CD1 4.49Å; Y23-L242 HydrophobicContact CE1-CD2 4.05Å |
| 24 | A | 72.8 | Confident | 65.8 | Low | 29 Ų | 29 | 52.8 Ų | 52.8 | 24% | 0.24 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -27.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D21 G26 | D21-A24 HydrophobicContact CB-CB 4.05Å; D21-A24 WeakPolarHBondContact O-CB 3.36Å; D21-A24 PolarHBondContact O-N 3.24Å; D21-A24 PolarHBondContact OD1-N 3.17Å; D21-A24 PolarHBondContact OD2-N 3.5Å; A24-G26 PolarHBondContact O-N 3.42Å |
| 25 | D | 71.3 | Confident | 67 | Low | 58 Ų | 58 | 45.8 Ų | 45.8 | 31% | 0.31 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -8.6 | 175.6 | 73.1 | 14.3 | 0 | 0 | 0 | 113.3 | S11 Y23 K27 | S11-D25 WeakPolarHBondContact CB-OD2 3.14Å; S11-D25 PolarHBondContact OG-OD2 2.86Å; Y23-D25 PolarHBondContact O-N 3.23Å; Y23-D25 VanDerWaalsContact O-N 3.14Å; D25-K27 PolarHBondContact O-N 3.2Å; D25-K27 WeakPolarHBondContact OD1-CB 3.28Å; D25-K27 PolarHBondContact OD1-N 2.93Å |
| 26 | G | 68.9 | Low | 67.8 | Low | 22 Ų | 22 | 44 Ų | 44 | 23% | 0.227 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 65.9 | -3.9 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y23 A24 K30 | Y23-G26 WeakPolarHBondContact O-CA 3.27Å; Y23-G26 PolarHBondContact O-N 3.32Å; A24-G26 PolarHBondContact O-N 3.42Å; G26-K30 VanDerWaalsContact O-CB 3.31Å; G26-K30 WeakPolarHBondContact O-CB 3.22Å; G26-K30 PolarHBondContact O-N 3.38Å |
| 27 | K | 74.6 | Confident | 68.3 | Low | 123 Ų | 123 | 43.2 Ų | 43.2 | 54% | 0.535 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -68.4 | -53 | -178 | -68.9 | -177.9 | 178 | -179.9 | 0 | 109.7 | D25 A29 K30 V31 | D25-K27 PolarHBondContact O-N 3.2Å; D25-K27 WeakPolarHBondContact OD1-CB 3.28Å; D25-K27 PolarHBondContact OD1-N 2.93Å; K27-A29 VanDerWaalsContact C-N 3.33Å; K27-A29 PolarHBondContact O-N 3.02Å; K27-K30 PolarHBondContact O-N 3.18Å; K27-V31 WeakPolarHBondContact O-CG2 3.35Å; K27-V31 PolarHBondContact O-N 2.87Å; K27-V31 VanDerWaalsContact O-N 3.1Å |
| 28 | A | 72.6 | Confident | 69 | Low | 2 Ų | 2 | 41.8 Ų | 41.8 | 2% | 0.017 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.1 | -49.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | Y23 K30 V31 W32 F240 | Y23-A28 HydrophobicContact CD1-CB 3.74Å; Y23-A28 HydrophobicContact CE1-CB 4.27Å; A28-K30 PolarHBondContact O-N 3.05Å; A28-V31 CarbonylContact O-C 3.54Å; A28-V31 PolarHBondContact O-N 2.89Å; A28-W32 WeakPolarHBondContact O-CA 3.29Å; A28-W32 WeakPolarHBondContact O-CB 3.42Å; A28-W32 PolarHBondContact O-N 3.4Å; A28-F240 HydrophobicContact CB-CD2 4.04Å; A28-F240 HydrophobicContact CB-CG 4.4Å |
| 29 | A | 71.8 | Confident | 69.5 | Low | 2 Ų | 2 | 42.6 Ų | 42.6 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -59.3 | -40.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | K27 W32 K91 M92 Y95 | K27-A29 VanDerWaalsContact C-N 3.33Å; K27-A29 PolarHBondContact O-N 3.02Å; A29-W32 PolarHBondContact O-N 2.94Å; A29-K91 HydrophobicContact CB-CB 4.19Å; A29-M92 HydrophobicContact CB-SD 3.97Å; A29-Y95 HydrophobicContact CB-CE2 4.09Å; A29-Y95 PolarHBondContact O-OH 3.28Å |
| 30 | K | 73.1 | Confident | 69.9 | Low | 160 Ų | 160 | 50.3 Ų | 50.3 | 70% | 0.696 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.6 | -41.9 | 178.2 | -174.8 | -177.5 | 178 | -171 | 0 | 112.3 | G26 K27 A28 | G26-K30 VanDerWaalsContact O-CB 3.31Å; G26-K30 WeakPolarHBondContact O-CB 3.22Å; G26-K30 PolarHBondContact O-N 3.38Å; K27-K30 PolarHBondContact O-N 3.18Å; A28-K30 PolarHBondContact O-N 3.05Å |
| 31 | V | 71.5 | Confident | 70 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 5% | 0.048 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -92 | -4.9 | -179.4 | -55 | 0 | 0 | 0 | 0 | 112.9 | K27 A28 Q33 L34 Y35 F240 | K27-V31 WeakPolarHBondContact O-CG2 3.35Å; K27-V31 PolarHBondContact O-N 2.87Å; K27-V31 VanDerWaalsContact O-N 3.1Å; A28-V31 CarbonylContact O-C 3.54Å; A28-V31 PolarHBondContact O-N 2.89Å; V31-Q33 VanDerWaalsContact C-N 3.26Å; V31-Q33 PolarHBondContact O-N 3.3Å; V31-L34 CarbonylContact O-C 3.59Å; V31-L34 WeakPolarHBondContact O-CA 3.47Å; V31-L34 WeakPolarHBondContact O-CB 3.33Å; V31-L34 PolarHBondContact O-N 3.34Å; V31-Y35 PolarHBondContact O-N 2.86Å; V31-F240 HydrophobicContact CG2-CD1 3.5Å; V31-F240 VanDerWaalsContact CG2-CD1 3.5Å; V31-F240 HydrophobicContact CG2-CE1 3.49Å; V31-F240 VanDerWaalsContact CG2-CE1 3.49Å; V31-F240 HydrophobicContact CG2-CG 4.38Å; V31-F240 HydrophobicContact CG2-CZ 4.38Å |
| 32 | W | 69.5 | Low | 69.9 | Low | 16 Ų | 16 | 50 Ų | 50 | 6% | 0.061 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.8 | -39 | -175.6 | -162.4 | -127.2 | 0 | 0 | 0 | 112 | A28 A29 L34 Y35 I36 M92 Y197 L242 | A28-W32 WeakPolarHBondContact O-CA 3.29Å; A28-W32 WeakPolarHBondContact O-CB 3.42Å; A28-W32 PolarHBondContact O-N 3.4Å; A29-W32 PolarHBondContact O-N 2.94Å; W32-L34 VanDerWaalsContact C-N 3.3Å; W32-L34 PolarHBondContact O-N 2.87Å; W32-Y35 HydrophobicContact CD2-CD1 4.37Å; W32-Y35 AromaticContact CE3-CD1 3.51Å; W32-Y35 HydrophobicContact CE3-CD1 3.51Å; W32-Y35 HydrophobicContact CE3-CE1 4.31Å; W32-Y35 HydrophobicContact CE3-CG 4.19Å; W32-Y35 AromaticContact CH2-CD1 3.71Å; W32-Y35 HydrophobicContact CH2-CD1 3.71Å; W32-Y35 AromaticContact CH2-CE1 3.73Å; W32-Y35 HydrophobicContact CH2-CE1 3.73Å; W32-Y35 AromaticContact CZ3-CD1 3.1Å; W32-Y35 HydrophobicContact CZ3-CD1 3.1Å; W32-Y35 AromaticContact CZ3-CE1 3.46Å; W32-Y35 HydrophobicContact CZ3-CE1 3.46Å; W32-Y35 VanDerWaalsContact CZ3-CE1 3.46Å; W32-Y35 HydrophobicContact CZ3-CG 4.08Å; W32-Y35 PolarHBondContact O-N 2.78Å; W32-I36 HydrophobicContact CD2-CD1 4.28Å; W32-I36 HydrophobicContact CD2-CG1 4.33Å; W32-I36 HydrophobicContact CG-CD1 3.94Å; W32-I36 HydrophobicContact CG-CG1 4.4Å; W32-I36 VanDerWaalsContact NE1-CD1 3.29Å; W32-I36 WeakPolarHBondContact O-CB 3.33Å; W32-I36 VanDerWaalsContact O-CG1 3.31Å; W32-I36 WeakPolarHBondContact O-CG1 3.49Å; W32-I36 PolarHBondContact O-N 2.9Å; W32-M92 HydrophobicContact CG-CE 4.17Å; W32-Y197 HydrophobicContact CH2-CD1 4.37Å; W32-Y197 AromaticContact CH2-CE1 3.39Å; W32-Y197 HydrophobicContact CH2-CE1 3.39Å; W32-Y197 AromaticContact CH2-CZ 3.6Å; W32-Y197 WeakPolarHBondContact CH2-OH 3.12Å; W32-Y197 AromaticContact CZ2-CE1 3.39Å; W32-Y197 HydrophobicContact CZ2-CE1 3.39Å; W32-Y197 AromaticContact CZ2-CZ 3.69Å; W32-Y197 VanDerWaalsContact CZ2-OH 3.22Å; W32-Y197 WeakPolarHBondContact CZ2-OH 3.39Å; W32-Y197 HydrophobicContact CZ3-CE1 4.19Å; W32-L242 HydrophobicContact CZ3-CD1 4.45Å |
| 33 | Q | 67.9 | Low | 69.8 | Low | 109 Ų | 109 | 49.8 Ų | 49.8 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.4 | -37.3 | 174.3 | -66.7 | -175 | -29 | 0 | 0 | 112 | V31 G37 | V31-Q33 VanDerWaalsContact C-N 3.26Å; V31-Q33 PolarHBondContact O-N 3.3Å; Q33-G37 PolarHBondContact O-N 2.89Å; Q33-G37 VanDerWaalsContact O-N 3.12Å |
| 34 | L | 67.1 | Low | 70 | Confident | 59 Ų | 59 | 55.1 Ų | 55.1 | 31% | 0.309 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -71.8 | -35.1 | 175.2 | -61.3 | 173.4 | 0 | 0 | 0 | 112 | V31 W32 G37 S199 L201 V227 | V31-L34 CarbonylContact O-C 3.59Å; V31-L34 WeakPolarHBondContact O-CA 3.47Å; V31-L34 WeakPolarHBondContact O-CB 3.33Å; V31-L34 PolarHBondContact O-N 3.34Å; W32-L34 VanDerWaalsContact C-N 3.3Å; W32-L34 PolarHBondContact O-N 2.87Å; L34-G37 PolarHBondContact O-N 2.99Å; L34-S199 WeakPolarHBondContact O-CB 3.18Å; L34-S199 PolarHBondContact O-OG 3.25Å; L34-L201 HydrophobicContact CB-CD1 4.01Å; L34-V227 HydrophobicContact CD1-CB 4.37Å; L34-V227 HydrophobicContact CD1-CG1 3.92Å; L34-V227 HydrophobicContact CD1-CG2 4Å |
| 35 | Y | 64.7 | Low | 70.3 | Confident | 3 Ų | 3 | 57 Ų | 57 | 1% | 0.012 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -73.3 | -43.9 | 179.5 | 177.4 | -105.9 | 0 | 0 | 0 | 112.7 | V31 W32 G37 Y197 S199 Y223 V225 F240 | V31-Y35 PolarHBondContact O-N 2.86Å; W32-Y35 HydrophobicContact CD2-CD1 4.37Å; W32-Y35 AromaticContact CE3-CD1 3.51Å; W32-Y35 HydrophobicContact CE3-CD1 3.51Å; W32-Y35 HydrophobicContact CE3-CE1 4.31Å; W32-Y35 HydrophobicContact CE3-CG 4.19Å; W32-Y35 AromaticContact CH2-CD1 3.71Å; W32-Y35 HydrophobicContact CH2-CD1 3.71Å; W32-Y35 AromaticContact CH2-CE1 3.73Å; W32-Y35 HydrophobicContact CH2-CE1 3.73Å; W32-Y35 AromaticContact CZ3-CD1 3.1Å; W32-Y35 HydrophobicContact CZ3-CD1 3.1Å; W32-Y35 AromaticContact CZ3-CE1 3.46Å; W32-Y35 HydrophobicContact CZ3-CE1 3.46Å; W32-Y35 VanDerWaalsContact CZ3-CE1 3.46Å; W32-Y35 HydrophobicContact CZ3-CG 4.08Å; W32-Y35 PolarHBondContact O-N 2.78Å; Y35-G37 PolarHBondContact O-N 2.87Å; Y35-Y197 AromaticContact CD1-CD1 3.36Å; Y35-Y197 HydrophobicContact CD1-CD1 3.36Å; Y35-Y197 AromaticContact CD1-CE1 3.73Å; Y35-Y197 HydrophobicContact CD1-CE1 3.73Å; Y35-Y197 HydrophobicContact CD1-CG 4.07Å; Y35-Y197 AromaticContact CE1-CD1 3.08Å; Y35-Y197 HydrophobicContact CE1-CD1 3.08Å; Y35-Y197 AromaticContact CE1-CD2 3.97Å; Y35-Y197 HydrophobicContact CE1-CD2 3.97Å; Y35-Y197 AromaticContact CE1-CE1 3.45Å; Y35-Y197 HydrophobicContact CE1-CE1 3.45Å; Y35-Y197 VanDerWaalsContact CE1-CE1 3.45Å; Y35-Y197 HydrophobicContact CE1-CE2 4.27Å; Y35-Y197 AromaticContact CE1-CG 3.38Å; Y35-Y197 HydrophobicContact CE1-CG 3.38Å; Y35-Y197 HydrophobicContact CG-CD1 4.46Å; Y35-Y197 AromaticContact CZ-CD1 3.98Å; Y35-Y197 AromaticContact CZ-CG 3.82Å; Y35-S199 VanDerWaalsContact O-CB 3.29Å; Y35-S199 WeakPolarHBondContact O-CB 3.11Å; Y35-Y223 HydrophobicContact CD2-CD1 4.3Å; Y35-Y223 HydrophobicContact CE1-CE1 4.47Å; Y35-Y223 AromaticContact CE2-CD1 3.56Å; Y35-Y223 HydrophobicContact CE2-CD1 3.56Å; Y35-Y223 AromaticContact CE2-CE1 3.73Å; Y35-Y223 HydrophobicContact CE2-CE1 3.73Å; Y35-Y223 AromaticContact CZ-CD1 3.91Å; Y35-Y223 AromaticContact CZ-CE1 3.58Å; Y35-Y223 VanDerWaalsContact OH-CE1 3.27Å; Y35-Y223 WeakPolarHBondContact OH-CE1 3.48Å; Y35-V225 HydrophobicContact CD2-CG2 4.24Å; Y35-F240 HydrophobicContact CD2-CZ 4.28Å; Y35-F240 HydrophobicContact CG-CZ 4.2Å |
| 36 | I | 63.1 | Low | 71.1 | Confident | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.01 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.8 | -37.9 | 170.8 | -66 | 162.5 | 0 | 0 | 0 | 110.1 | W32 T39 R42 V71 Y197 K198 | W32-I36 HydrophobicContact CD2-CD1 4.28Å; W32-I36 HydrophobicContact CD2-CG1 4.33Å; W32-I36 HydrophobicContact CG-CD1 3.94Å; W32-I36 HydrophobicContact CG-CG1 4.4Å; W32-I36 VanDerWaalsContact NE1-CD1 3.29Å; W32-I36 WeakPolarHBondContact O-CB 3.33Å; W32-I36 VanDerWaalsContact O-CG1 3.31Å; W32-I36 WeakPolarHBondContact O-CG1 3.49Å; W32-I36 PolarHBondContact O-N 2.9Å; I36-T39 HydrophobicContact CG2-CG2 3.84Å; I36-R42 HydrophobicContact CG2-CB 4.46Å; I36-V71 HydrophobicContact CD1-CG2 4.07Å; I36-Y197 HydrophobicContact CB-CD1 4.47Å; I36-Y197 HydrophobicContact CG1-CD1 3.92Å; I36-Y197 HydrophobicContact CG1-CE1 3.85Å; I36-K198 PolarHBondContact O-N 3.18Å |
| 37 | G | 62.5 | Low | 72.2 | Confident | 21 Ų | 21 | 56 Ų | 56 | 22% | 0.216 | 27% | 0.268 | C | S | . | . | trans | 78.3 | -147.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q33 L34 Y35 T39 | Q33-G37 PolarHBondContact O-N 2.89Å; Q33-G37 VanDerWaalsContact O-N 3.12Å; L34-G37 PolarHBondContact O-N 2.99Å; Y35-G37 PolarHBondContact O-N 2.87Å; G37-T39 PolarHBondContact O-N 3.21Å | ||
| 38 | D | 65.9 | Low | 73.1 | Confident | 95 Ų | 95 | 53.9 Ų | 53.9 | 51% | 0.508 | 27% | 0.269 | S | S | . | . | trans | -65.7 | 108.3 | 173.5 | 177.1 | 20.4 | 0 | 0 | 0 | 110.6 | R40 S41 R42 | D38-R40 PolarHBondContact O-N 3.15Å; D38-R40 WeakPolarHBondContact OD1-CB 3.34Å; D38-R40 PolarHBondContact OD1-N 3.02Å; D38-S41 WeakPolarHBondContact O-CB 3.36Å; D38-S41 PolarHBondContact O-N 3.1Å; D38-S41 VanDerWaalsContact O-N 3.14Å; D38-S41 WeakPolarHBondContact OD2-CB 3.38Å; D38-S41 PolarHBondContact OD2-N 3.24Å; D38-R42 PolarHBondContact O-N 3.46Å | ||
| 39 | T | 66.1 | Low | 74.2 | Confident | 59 Ų | 59 | 56.1 Ų | 56.1 | 36% | 0.362 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.7 | -25.7 | 180 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | I36 G37 T43 V71 | I36-T39 HydrophobicContact CG2-CG2 3.84Å; G37-T39 PolarHBondContact O-N 3.21Å; T39-T43 PolarHBondContact O-N 2.93Å; T39-T43 PolarHBondContact O-OG1 3.13Å; T39-V71 HydrophobicContact CG2-CG1 4.27Å; T39-V71 HydrophobicContact CG2-CG2 3.79Å |
| 40 | R | 68 | Low | 75.4 | Confident | 186 Ų | 186 | 56 Ų | 56 | 70% | 0.702 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -70.7 | -50.4 | 173.3 | -64.1 | -177.6 | -178 | 179.8 | 1.7 | 110.9 | D38 R42 T43 E44 | D38-R40 PolarHBondContact O-N 3.15Å; D38-R40 WeakPolarHBondContact OD1-CB 3.34Å; D38-R40 PolarHBondContact OD1-N 3.02Å; R40-R42 PolarHBondContact O-N 2.67Å; R40-T43 PolarHBondContact O-N 3Å; R40-T43 VanDerWaalsContact O-N 3.13Å; R40-T43 PolarHBondContact O-OG1 3.04Å; R40-T43 VanDerWaalsContact O-OG1 3.05Å; R40-E44 WeakPolarHBondContact O-CG 3.34Å; R40-E44 PolarHBondContact O-N 2.81Å |
| 41 | S | 69.3 | Low | 76.6 | Confident | 35 Ų | 35 | 48.9 Ų | 48.9 | 25% | 0.245 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -57.4 | -33.8 | 174.2 | 177.1 | 0 | 0 | 0 | 0 | 113.7 | D38 K198 | D38-S41 WeakPolarHBondContact O-CB 3.36Å; D38-S41 PolarHBondContact O-N 3.1Å; D38-S41 VanDerWaalsContact O-N 3.14Å; D38-S41 WeakPolarHBondContact OD2-CB 3.38Å; D38-S41 PolarHBondContact OD2-N 3.24Å; S41-K198 PolarHBondContact O-NZ 3.03Å |
| 42 | R | 72.8 | Confident | 77.8 | Confident | 10 Ų | 10 | 51.9 Ų | 51.9 | 4% | 0.038 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -58.9 | 171 | 168.8 | -174.8 | 169.8 | 142 | -14.2 | 110.7 | I36 D38 R40 E44 E45 Y46 D72 Y196 | I36-R42 HydrophobicContact CG2-CB 4.46Å; D38-R42 PolarHBondContact O-N 3.46Å; R40-R42 PolarHBondContact O-N 2.67Å; R42-E44 VanDerWaalsContact C-N 3.29Å; R42-E44 PolarHBondContact O-N 2.93Å; R42-E45 PolarHBondContact O-N 3.38Å; R42-Y46 HydrophobicContact CG-CE1 3.81Å; R42-Y46 PolarHBondContact NE-OH 3.02Å; R42-Y46 VanDerWaalsContact NE-OH 3.09Å; R42-Y46 WeakPolarHBondContact O-CE1 3.46Å; R42-D72 IonicContact CZ-OD2 3.49Å; R42-D72 IonicContact NH2-OD2 2.68Å; R42-D72 PolarHBondContact NH2-OD2 2.99Å; R42-Y196 WeakPolarHBondContact CD-O 3.42Å; R42-Y196 WeakPolarHBondContact CG-O 3.25Å; R42-Y196 PolarHBondContact NH1-O 3.06Å |
| 43 | T | 75.9 | Confident | 79.2 | Confident | 17 Ų | 17 | 51.9 Ų | 51.9 | 10% | 0.104 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.7 | -32.3 | -171.7 | 50.8 | 0 | 0 | 0 | 0 | 112 | T39 R40 E45 Y46 K47 V71 M75 | T39-T43 PolarHBondContact O-N 2.93Å; T39-T43 PolarHBondContact O-OG1 3.13Å; R40-T43 PolarHBondContact O-N 3Å; R40-T43 VanDerWaalsContact O-N 3.13Å; R40-T43 PolarHBondContact O-OG1 3.04Å; R40-T43 VanDerWaalsContact O-OG1 3.05Å; T43-E45 PolarHBondContact O-N 3.06Å; T43-Y46 PolarHBondContact O-N 3.36Å; T43-Y46 VanDerWaalsContact O-N 3.13Å; T43-K47 WeakPolarHBondContact O-CA 3.47Å; T43-K47 WeakPolarHBondContact O-CB 3.37Å; T43-K47 PolarHBondContact O-N 3.41Å; T43-V71 HydrophobicContact CG2-CG1 3.96Å; T43-M75 HydrophobicContact CG2-CB 4.14Å; T43-M75 HydrophobicContact CG2-CG 4.26Å; T43-M75 HydrophobicContact CG2-SD 3.77Å |
| 44 | E | 80.8 | Confident | 80.6 | Confident | 142 Ų | 142 | 46.7 Ų | 46.7 | 66% | 0.664 | 24% | 0.244 | S | C | * | . | H | α-helix | trans | -52.5 | -29.5 | 178.2 | -79.3 | 177.4 | 179.9 | 0 | 0 | 115 | R40 R42 | R40-E44 WeakPolarHBondContact O-CG 3.34Å; R40-E44 PolarHBondContact O-N 2.81Å; R42-E44 VanDerWaalsContact C-N 3.29Å; R42-E44 PolarHBondContact O-N 2.93Å |
| 45 | E | 78.8 | Confident | 82.1 | Confident | 67 Ų | 67 | 49.6 Ų | 49.6 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -31.2 | -178.9 | -83.6 | -172.9 | -177.8 | 0 | 0 | 114.3 | R42 T43 K193 I195 K198 | R42-E45 PolarHBondContact O-N 3.38Å; T43-E45 PolarHBondContact O-N 3.06Å; E45-K193 WeakPolarHBondContact OE1-CE 3.43Å; E45-K193 IonicContact OE1-NZ 3.93Å; E45-K193 PolarHBondContact OE1-NZ 2.95Å; E45-I195 WeakPolarHBondContact OE2-CA 3.42Å; E45-K198 WeakPolarHBondContact OE1-CE 3.49Å; E45-K198 IonicContact OE1-NZ 3Å; E45-K198 PolarHBondContact OE1-NZ 3.11Å; E45-K198 WeakPolarHBondContact OE2-CE 3.35Å; E45-K198 IonicContact OE2-NZ 2.8Å |
| 46 | Y | 88.9 | Confident | 83.6 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -127.1 | -11.3 | -172.9 | 65.2 | -96.6 | 0 | 0 | 0 | 114.3 | R42 T43 S48 W49 V50 D72 M75 Y196 F272 | R42-Y46 HydrophobicContact CG-CE1 3.81Å; R42-Y46 PolarHBondContact NE-OH 3.02Å; R42-Y46 VanDerWaalsContact NE-OH 3.09Å; R42-Y46 WeakPolarHBondContact O-CE1 3.46Å; T43-Y46 PolarHBondContact O-N 3.36Å; T43-Y46 VanDerWaalsContact O-N 3.13Å; Y46-S48 VanDerWaalsContact C-N 3.29Å; Y46-S48 PolarHBondContact O-N 2.63Å; Y46-W49 WeakPolarHBondContact O-CB 3.31Å; Y46-W49 PolarHBondContact O-N 2.99Å; Y46-V50 HydrophobicContact CD2-CG2 3.76Å; Y46-V50 PolarHBondContact O-N 3.4Å; Y46-D72 WeakPolarHBondContact CE2-OD1 3.32Å; Y46-D72 PolarHBondContact OH-OD1 3.26Å; Y46-M75 HydrophobicContact CE2-CE 4.29Å; Y46-M75 HydrophobicContact CE2-SD 4.35Å; Y46-Y196 HydrophobicContact CD1-CD1 4.39Å; Y46-Y196 HydrophobicContact CD1-CE1 4.26Å; Y46-Y196 AromaticContact CE1-CD1 3.81Å; Y46-Y196 HydrophobicContact CE1-CD1 3.81Å; Y46-Y196 AromaticContact CE1-CE1 3.93Å; Y46-Y196 HydrophobicContact CE1-CE1 3.93Å; Y46-F272 AromaticContact CD1-CE2 3.84Å; Y46-F272 HydrophobicContact CD1-CE2 3.84Å; Y46-F272 HydrophobicContact CD1-CZ 4.1Å; Y46-F272 HydrophobicContact CD2-CE1 4.47Å; Y46-F272 HydrophobicContact CD2-CE2 4.43Å; Y46-F272 AromaticContact CD2-CZ 3.94Å; Y46-F272 HydrophobicContact CD2-CZ 3.94Å; Y46-F272 HydrophobicContact CG-CD2 4.28Å; Y46-F272 HydrophobicContact CG-CE1 4.3Å; Y46-F272 AromaticContact CG-CE2 3.59Å; Y46-F272 HydrophobicContact CG-CE2 3.59Å; Y46-F272 AromaticContact CG-CZ 3.54Å; Y46-F272 HydrophobicContact CG-CZ 3.54Å |
| 47 | K | 92.3 | Very high | 85.3 | Confident | 59 Ų | 59 | 59.6 Ų | 59.6 | 26% | 0.257 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -50.9 | -50.8 | 177.8 | 174.5 | 173.2 | -177.6 | 178 | 0 | 110.7 | T43 W49 V50 V51 M75 E79 | T43-K47 WeakPolarHBondContact O-CA 3.47Å; T43-K47 WeakPolarHBondContact O-CB 3.37Å; T43-K47 PolarHBondContact O-N 3.41Å; K47-W49 VanDerWaalsContact C-N 3.29Å; K47-W49 PolarHBondContact O-N 3.41Å; K47-V50 PolarHBondContact O-N 3.31Å; K47-V51 HydrophobicContact CG-CG2 4.03Å; K47-V51 WeakPolarHBondContact O-CB 3.2Å; K47-V51 WeakPolarHBondContact O-CG2 3.5Å; K47-V51 PolarHBondContact O-N 3.33Å; K47-M75 HydrophobicContact CB-SD 3.53Å; K47-M75 VanDerWaalsContact CB-SD 3.53Å; K47-M75 HydrophobicContact CD-CG 3.9Å; K47-M75 HydrophobicContact CD-SD 4.01Å; K47-M75 HydrophobicContact CG-CG 4.04Å; K47-M75 HydrophobicContact CG-SD 3.59Å; K47-M75 VanDerWaalsContact CG-SD 3.59Å; K47-E79 VanDerWaalsContact CE-CD 3.49Å; K47-E79 WeakPolarHBondContact CE-OE1 3.47Å; K47-E79 IonicContact NZ-OE1 2.71Å; K47-E79 PolarHBondContact NZ-OE1 2.92Å |
| 48 | S | 93.3 | Very high | 86.9 | Confident | 79 Ų | 79 | 60.8 Ų | 60.8 | 55% | 0.552 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -58.9 | -42.6 | -179.6 | 61.6 | 0 | 0 | 0 | 0 | 111.6 | Y46 S52 | Y46-S48 VanDerWaalsContact C-N 3.29Å; Y46-S48 PolarHBondContact O-N 2.63Å; S48-S52 WeakPolarHBondContact O-CB 3.12Å; S48-S52 PolarHBondContact O-N 3.44Å; S48-S52 PolarHBondContact O-OG 3.25Å |
| 49 | W | 95.9 | Very high | 88.5 | Confident | 49 Ų | 49 | 56.8 Ų | 56.8 | 19% | 0.186 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.3 | -52.7 | 178.4 | -174.6 | 96.4 | 0 | 0 | 0 | 111.8 | Y46 K47 S52 L53 I174 Y269 F272 I287 V289 | Y46-W49 WeakPolarHBondContact O-CB 3.31Å; Y46-W49 PolarHBondContact O-N 2.99Å; K47-W49 VanDerWaalsContact C-N 3.29Å; K47-W49 PolarHBondContact O-N 3.41Å; W49-S52 PolarHBondContact O-N 2.88Å; W49-L53 HydrophobicContact CE3-CD2 4.44Å; W49-L53 HydrophobicContact CH2-CD2 3.57Å; W49-L53 HydrophobicContact CZ2-CD2 4.15Å; W49-L53 HydrophobicContact CZ3-CD2 3.73Å; W49-L53 WeakPolarHBondContact O-CB 3.48Å; W49-L53 PolarHBondContact O-N 3.39Å; W49-I174 HydrophobicContact CZ3-CG2 4.34Å; W49-Y269 HydrophobicContact CH2-CD2 4.27Å; W49-Y269 HydrophobicContact CZ2-CD1 4.12Å; W49-Y269 AromaticContact CZ2-CD2 3.82Å; W49-Y269 HydrophobicContact CZ2-CD2 3.82Å; W49-Y269 HydrophobicContact CZ2-CE1 4.27Å; W49-Y269 AromaticContact CZ2-CE2 3.99Å; W49-Y269 HydrophobicContact CZ2-CE2 3.99Å; W49-Y269 AromaticContact CZ2-CG 3.89Å; W49-Y269 HydrophobicContact CZ2-CG 3.89Å; W49-F272 HydrophobicContact CB-CB 4.34Å; W49-F272 HydrophobicContact CD2-CB 4.16Å; W49-F272 AromaticContact CD2-CD1 3.82Å; W49-F272 HydrophobicContact CD2-CD1 3.82Å; W49-F272 HydrophobicContact CD2-CG 4.46Å; W49-F272 AromaticContact CE3-CD1 3.44Å; W49-F272 HydrophobicContact CE3-CD1 3.44Å; W49-F272 VanDerWaalsContact CE3-CD1 3.44Å; W49-F272 AromaticContact CE3-CE1 3.99Å; W49-F272 HydrophobicContact CE3-CE1 3.99Å; W49-F272 HydrophobicContact CE3-CG 4.45Å; W49-F272 HydrophobicContact CG-CB 4.01Å; W49-F272 HydrophobicContact CG-CD1 4.38Å; W49-F272 HydrophobicContact CH2-CD1 4.37Å; W49-F272 AromaticContact CZ3-CD1 3.76Å; W49-F272 HydrophobicContact CZ3-CD1 3.76Å; W49-F272 HydrophobicContact CZ3-CE1 4.09Å; W49-F272 PolarHBondContact NE1-O 3.14Å; W49-I287 HydrophobicContact CH2-CG2 4.06Å; W49-I287 HydrophobicContact CZ3-CG2 4.36Å; W49-V289 HydrophobicContact CH2-CG2 3.63Å; W49-V289 HydrophobicContact CZ2-CG2 4.28Å |
| 50 | V | 96.7 | Very high | 90 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.006 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.5 | -50.5 | -177.7 | 172.3 | 0 | 0 | 0 | 0 | 110.2 | Y46 K47 S52 L53 L54 L76 F272 | Y46-V50 HydrophobicContact CD2-CG2 3.76Å; Y46-V50 PolarHBondContact O-N 3.4Å; K47-V50 PolarHBondContact O-N 3.31Å; V50-S52 VanDerWaalsContact C-N 3.34Å; V50-S52 PolarHBondContact O-N 3.2Å; V50-L53 PolarHBondContact O-N 3.19Å; V50-L54 HydrophobicContact CG1-CD1 3.65Å; V50-L54 HydrophobicContact CG1-CG 4.26Å; V50-L54 WeakPolarHBondContact O-CB 3.24Å; V50-L54 WeakPolarHBondContact O-CG 3.14Å; V50-L54 PolarHBondContact O-N 2.99Å; V50-L76 HydrophobicContact CG1-CD2 4.38Å; V50-F272 HydrophobicContact CG2-CE1 4.06Å |
| 51 | V | 97.4 | Very high | 91.4 | Very high | 9 Ų | 9 | 55.7 Ų | 55.7 | 6% | 0.055 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | -179.3 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | K47 L54 K55 L76 E79 F81 | K47-V51 HydrophobicContact CG-CG2 4.03Å; K47-V51 WeakPolarHBondContact O-CB 3.2Å; K47-V51 WeakPolarHBondContact O-CG2 3.5Å; K47-V51 PolarHBondContact O-N 3.33Å; V51-L54 PolarHBondContact O-N 3.38Å; V51-K55 HydrophobicContact CG1-CD 3.82Å; V51-K55 VanDerWaalsContact CG1-CE 3.49Å; V51-K55 HydrophobicContact CG1-CG 4.38Å; V51-K55 WeakPolarHBondContact O-CB 3.33Å; V51-K55 VanDerWaalsContact O-CG 3.31Å; V51-K55 WeakPolarHBondContact O-CG 3.48Å; V51-K55 PolarHBondContact O-N 3.25Å; V51-L76 HydrophobicContact CG2-CD2 4.29Å; V51-E79 HydrophobicContact CG2-CB 4.42Å; V51-E79 HydrophobicContact CG2-CG 3.83Å; V51-F81 HydrophobicContact CG1-CE2 4.37Å |
| 52 | S | 97.2 | Very high | 92.8 | Very high | 72 Ų | 72 | 54 Ų | 54 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64.9 | -43.5 | 177.3 | -61 | 0 | 0 | 0 | 0 | 111.5 | S48 W49 V50 K55 Q56 | S48-S52 WeakPolarHBondContact O-CB 3.12Å; S48-S52 PolarHBondContact O-N 3.44Å; S48-S52 PolarHBondContact O-OG 3.25Å; W49-S52 PolarHBondContact O-N 2.88Å; V50-S52 VanDerWaalsContact C-N 3.34Å; V50-S52 PolarHBondContact O-N 3.2Å; S52-K55 PolarHBondContact O-N 3.45Å; S52-Q56 VanDerWaalsContact O-CB 3.3Å; S52-Q56 WeakPolarHBondContact O-CB 3.42Å; S52-Q56 PolarHBondContact O-N 2.98Å |
| 53 | L | 97.8 | Very high | 94.1 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 177.1 | -178.9 | 67.2 | 0 | 0 | 0 | 111.7 | W49 V50 Q56 H57 I172 I174 V289 | W49-L53 HydrophobicContact CE3-CD2 4.44Å; W49-L53 HydrophobicContact CH2-CD2 3.57Å; W49-L53 HydrophobicContact CZ2-CD2 4.15Å; W49-L53 HydrophobicContact CZ3-CD2 3.73Å; W49-L53 WeakPolarHBondContact O-CB 3.48Å; W49-L53 PolarHBondContact O-N 3.39Å; V50-L53 PolarHBondContact O-N 3.19Å; L53-Q56 PolarHBondContact O-N 3.22Å; L53-H57 PolarHBondContact O-N 3.25Å; L53-H57 PolarHBondContact O-ND1 3Å; L53-I172 HydrophobicContact CD2-CD1 4.47Å; L53-I172 HydrophobicContact CG-CD1 4.29Å; L53-I174 HydrophobicContact CD2-CD1 3.82Å; L53-I174 HydrophobicContact CD2-CG1 4.33Å; L53-V289 HydrophobicContact CD2-CG1 4.1Å; L53-V289 HydrophobicContact CD2-CG2 3.86Å |
| 54 | L | 98.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -46.3 | 177.5 | -66.8 | 167.5 | 0 | 0 | 0 | 111 | V50 V51 Q56 H57 G58 V59 I62 L76 F81 A135 I172 I174 | V50-L54 HydrophobicContact CG1-CD1 3.65Å; V50-L54 HydrophobicContact CG1-CG 4.26Å; V50-L54 WeakPolarHBondContact O-CB 3.24Å; V50-L54 WeakPolarHBondContact O-CG 3.14Å; V50-L54 PolarHBondContact O-N 2.99Å; V51-L54 PolarHBondContact O-N 3.38Å; L54-Q56 PolarHBondContact O-N 2.89Å; L54-H57 PolarHBondContact O-N 3.29Å; L54-G58 PolarHBondContact O-N 2.82Å; L54-V59 HydrophobicContact CB-CB 4.08Å; L54-V59 HydrophobicContact CB-CG1 4.4Å; L54-V59 HydrophobicContact CB-CG2 4.44Å; L54-V59 HydrophobicContact CD2-CB 4.17Å; L54-V59 HydrophobicContact CD2-CG1 3.88Å; L54-V59 HydrophobicContact CD2-CG2 4.06Å; L54-V59 WeakPolarHBondContact O-CB 3.17Å; L54-V59 WeakPolarHBondContact O-CG2 3.38Å; L54-V59 PolarHBondContact O-N 2.9Å; L54-I62 HydrophobicContact CD1-CD1 3.69Å; L54-I62 HydrophobicContact CD2-CD1 4Å; L54-I62 HydrophobicContact CG-CD1 4.43Å; L54-L76 HydrophobicContact CD1-CD1 4.4Å; L54-L76 HydrophobicContact CD1-CD2 3.57Å; L54-F81 HydrophobicContact CB-CE1 3.87Å; L54-F81 HydrophobicContact CB-CZ 3.66Å; L54-F81 HydrophobicContact CD1-CE1 4.42Å; L54-F81 HydrophobicContact CD1-CE2 4.14Å; L54-F81 HydrophobicContact CD1-CZ 3.99Å; L54-F81 HydrophobicContact CG-CZ 4.5Å; L54-A135 HydrophobicContact CD2-CB 3.64Å; L54-I172 HydrophobicContact CD2-CD1 4.27Å; L54-I174 HydrophobicContact CD2-CD1 4.2Å |
| 55 | K | 97.8 | Very high | 96 | Very high | 120 Ų | 120 | 46.2 Ų | 46.2 | 52% | 0.522 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63 | -41.2 | 177.1 | -75 | 175.7 | -179.7 | 165.4 | 0 | 111.9 | V51 S52 H57 G58 E79 F81 | V51-K55 HydrophobicContact CG1-CD 3.82Å; V51-K55 VanDerWaalsContact CG1-CE 3.49Å; V51-K55 HydrophobicContact CG1-CG 4.38Å; V51-K55 WeakPolarHBondContact O-CB 3.33Å; V51-K55 VanDerWaalsContact O-CG 3.31Å; V51-K55 WeakPolarHBondContact O-CG 3.48Å; V51-K55 PolarHBondContact O-N 3.25Å; S52-K55 PolarHBondContact O-N 3.45Å; K55-H57 PolarHBondContact O-N 3.38Å; K55-G58 PolarHBondContact O-N 3.19Å; K55-E79 IonicContact NZ-OE2 3.44Å; K55-E79 PolarHBondContact NZ-OE2 2.97Å; K55-F81 HydrophobicContact CG-CZ 4.24Å |
| 56 | Q | 97.4 | Very high | 96.9 | Very high | 158 Ų | 158 | 43.5 Ų | 43.5 | 74% | 0.738 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -60.3 | -34 | 176.3 | -178.5 | -179.4 | -9.6 | 0 | 0 | 112.5 | S52 L53 L54 G58 | S52-Q56 VanDerWaalsContact O-CB 3.3Å; S52-Q56 WeakPolarHBondContact O-CB 3.42Å; S52-Q56 PolarHBondContact O-N 2.98Å; L53-Q56 PolarHBondContact O-N 3.22Å; L54-Q56 PolarHBondContact O-N 2.89Å; Q56-G58 VanDerWaalsContact C-N 3.31Å |
| 57 | H | 97.2 | Very high | 97.3 | Very high | 57 Ų | 57 | 43.8 Ų | 43.8 | 26% | 0.264 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 4.9 | 176.6 | -71.3 | 82.9 | 0 | 0 | 0 | 113.6 | L53 L54 K55 V59 I172 | L53-H57 PolarHBondContact O-N 3.25Å; L53-H57 PolarHBondContact O-ND1 3Å; L54-H57 PolarHBondContact O-N 3.29Å; K55-H57 PolarHBondContact O-N 3.38Å; H57-V59 HydrophobicContact CB-CG2 3.97Å; H57-V59 PolarHBondContact O-N 3.42Å; H57-I172 HydrophobicContact CB-CD1 4.33Å |
| 58 | G | 97.6 | Very high | 97.4 | Very high | 46 Ų | 46 | 41.4 Ų | 41.4 | 47% | 0.474 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63 | 29.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | L54 K55 Q56 | L54-G58 PolarHBondContact O-N 2.82Å; K55-G58 PolarHBondContact O-N 3.19Å; Q56-G58 VanDerWaalsContact C-N 3.31Å |
| 59 | V | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 6% | 0.061 | 20% | 0.198 | C | C | . | . | trans | -67.3 | 136.8 | -177.2 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | L54 H57 I62 F81 D134 A135 I172 | L54-V59 HydrophobicContact CB-CB 4.08Å; L54-V59 HydrophobicContact CB-CG1 4.4Å; L54-V59 HydrophobicContact CB-CG2 4.44Å; L54-V59 HydrophobicContact CD2-CB 4.17Å; L54-V59 HydrophobicContact CD2-CG1 3.88Å; L54-V59 HydrophobicContact CD2-CG2 4.06Å; L54-V59 WeakPolarHBondContact O-CB 3.17Å; L54-V59 WeakPolarHBondContact O-CG2 3.38Å; L54-V59 PolarHBondContact O-N 2.9Å; H57-V59 HydrophobicContact CB-CG2 3.97Å; H57-V59 PolarHBondContact O-N 3.42Å; V59-I62 HydrophobicContact CG1-CD1 3.83Å; V59-I62 HydrophobicContact CG1-CG1 3.47Å; V59-I62 VanDerWaalsContact CG1-CG1 3.47Å; V59-F81 HydrophobicContact CB-CE1 4.37Å; V59-F81 HydrophobicContact CG1-CD1 4.22Å; V59-F81 HydrophobicContact CG1-CE1 4.22Å; V59-F81 WeakPolarHBondContact O-CE1 3.35Å; V59-D134 HydrophobicContact CB-CB 4.18Å; V59-D134 HydrophobicContact CG1-CB 3.95Å; V59-D134 HydrophobicContact CG2-CB 4.12Å; V59-A135 HydrophobicContact CG1-CB 3.84Å; V59-A135 HydrophobicContact CG2-CB 3.96Å; V59-I172 HydrophobicContact CG2-CD1 4.45Å; V59-I172 HydrophobicContact CG2-CG1 4.49Å | ||
| 60 | Q | 97.4 | Very high | 97.5 | Very high | 121 Ų | 121 | 35.9 Ų | 35.9 | 57% | 0.565 | 19% | 0.189 | S | C | * | . | trans | -125.8 | -42.4 | 173.9 | -61.9 | -176.8 | 23.2 | 0 | 0 | 112.4 | K82 D134 | Q60-K82 WeakPolarHBondContact O-CB 3.46Å; Q60-K82 PolarHBondContact O-N 2.89Å; Q60-D134 PolarHBondContact N-OD2 3.15Å; Q60-D134 VanDerWaalsContact N-OD2 3.13Å | ||
| 61 | R | 98.4 | Very high | 97.3 | Very high | 101 Ų | 101 | 36.6 Ų | 36.6 | 38% | 0.381 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 125.4 | -179.7 | -67 | 173.6 | -67.2 | -158.6 | 1.7 | 110.4 | K82 F133 D134 A135 | R61-K82 WeakPolarHBondContact CA-O 3.49Å; R61-K82 HydrophobicContact CG-CB 4.04Å; R61-K82 HydrophobicContact CG-CD 4.17Å; R61-F133 HydrophobicContact CB-CD1 4.29Å; R61-D134 PolarHBondContact N-OD2 3.24Å; R61-D134 IonicContact NE-OD2 3.9Å; R61-D134 WeakPolarHBondContact O-CB 3.49Å; R61-D134 PolarHBondContact O-N 2.86Å; R61-A135 PolarHBondContact O-N 2.85Å |
| 62 | I | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.3 | -176 | -53.1 | 178.2 | 0 | 0 | 0 | 108.9 | L54 V59 L76 F81 K82 M83 T84 A135 I137 | L54-I62 HydrophobicContact CD1-CD1 3.69Å; L54-I62 HydrophobicContact CD2-CD1 4Å; L54-I62 HydrophobicContact CG-CD1 4.43Å; V59-I62 HydrophobicContact CG1-CD1 3.83Å; V59-I62 HydrophobicContact CG1-CG1 3.47Å; V59-I62 VanDerWaalsContact CG1-CG1 3.47Å; I62-L76 HydrophobicContact CD1-CD1 3.97Å; I62-L76 HydrophobicContact CD1-CD2 4.48Å; I62-L76 HydrophobicContact CG2-CD1 4.49Å; I62-F81 HydrophobicContact CD1-CB 3.77Å; I62-F81 HydrophobicContact CD1-CD1 3.67Å; I62-F81 HydrophobicContact CD1-CD2 4.22Å; I62-F81 HydrophobicContact CD1-CE1 4.28Å; I62-F81 HydrophobicContact CD1-CG 3.62Å; I62-F81 HydrophobicContact CG1-CB 4.36Å; I62-F81 HydrophobicContact CG1-CD1 4.35Å; I62-K82 PolarHBondContact N-O 3.42Å; I62-M83 HydrophobicContact CB-CE 3.99Å; I62-M83 HydrophobicContact CB-SD 3.58Å; I62-M83 VanDerWaalsContact CB-SD 3.58Å; I62-M83 HydrophobicContact CD1-SD 4.04Å; I62-M83 HydrophobicContact CG1-SD 4.23Å; I62-M83 HydrophobicContact CG2-CE 3.83Å; I62-M83 HydrophobicContact CG2-SD 3.99Å; I62-T84 PolarHBondContact O-N 3.47Å; I62-A135 VanDerWaalsContact CA-O 3.31Å; I62-A135 WeakPolarHBondContact CA-O 3.37Å; I62-A135 HydrophobicContact CG1-CB 4.31Å; I62-A135 HydrophobicContact CG2-CB 4.44Å; I62-I137 HydrophobicContact CG2-CD1 4.33Å; I62-I137 HydrophobicContact CG2-CG1 4.23Å; I62-I137 HydrophobicContact CG2-CG2 4.11Å |
| 63 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 118.8 | 165.3 | 178.2 | 64.6 | 0 | 0 | 0 | 109.2 | V65 T84 V86 V126 F133 A135 V136 I137 M166 | L63-V65 HydrophobicContact CD2-CG1 3.63Å; L63-V65 HydrophobicContact CG-CG1 3.7Å; L63-T84 CarbonylContact C-O 3.19Å; L63-T84 VanDerWaalsContact CA-O 3.29Å; L63-T84 WeakPolarHBondContact CA-O 3.43Å; L63-T84 HydrophobicContact CD1-CG2 3.88Å; L63-V86 HydrophobicContact CD1-CG1 4.47Å; L63-V86 HydrophobicContact CD1-CG2 4.19Å; L63-V126 HydrophobicContact CD1-CG1 4.17Å; L63-V126 HydrophobicContact CD2-CG1 4.47Å; L63-F133 HydrophobicContact CB-CB 4.27Å; L63-F133 HydrophobicContact CB-CD1 3.72Å; L63-F133 HydrophobicContact CB-CD2 3.7Å; L63-F133 HydrophobicContact CB-CE1 3.89Å; L63-F133 HydrophobicContact CB-CE2 3.87Å; L63-F133 HydrophobicContact CB-CG 3.62Å; L63-F133 HydrophobicContact CB-CZ 3.96Å; L63-F133 HydrophobicContact CD1-CE2 4.34Å; L63-F133 HydrophobicContact CD1-CZ 4.13Å; L63-F133 HydrophobicContact CD2-CD2 4.03Å; L63-F133 HydrophobicContact CD2-CE2 3.87Å; L63-F133 HydrophobicContact CD2-CZ 4.47Å; L63-F133 HydrophobicContact CG-CD2 4.43Å; L63-F133 HydrophobicContact CG-CE2 4.25Å; L63-F133 HydrophobicContact CG-CZ 4.41Å; L63-A135 PolarHBondContact N-O 3.31Å; L63-V136 HydrophobicContact CB-CG1 4.38Å; L63-V136 HydrophobicContact CB-CG2 4.23Å; L63-V136 HydrophobicContact CD2-CG1 4.36Å; L63-V136 HydrophobicContact CG-CG1 4.47Å; L63-V136 CarbonylContact O-C 3.49Å; L63-V136 VanDerWaalsContact O-CA 3.26Å; L63-V136 WeakPolarHBondContact O-CA 3.21Å; L63-I137 PolarHBondContact O-N 2.92Å; L63-M166 HydrophobicContact CD2-CB 3.74Å; L63-M166 HydrophobicContact CD2-CG 3.71Å; L63-M166 HydrophobicContact CD2-SD 4.28Å |
| 64 | D | 98.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 33.8 Ų | 33.8 | 2% | 0.021 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 111 | 166.6 | -177 | -2.7 | 0 | 0 | 0 | 108.7 | A66 C67 S73 M83 T84 S85 V86 I137 | D64-A66 VanDerWaalsContact C-N 3.34Å; D64-A66 VanDerWaalsContact OD1-C 3.27Å; D64-A66 PolarHBondContact OD1-N 3.19Å; D64-C67 PolarHBondContact OD1-N 2.84Å; D64-S73 WeakPolarHBondContact CB-OG 3.32Å; D64-S73 PolarHBondContact OD2-OG 3.21Å; D64-M83 HydrophobicContact CB-CE 3.88Å; D64-T84 PolarHBondContact N-O 2.8Å; D64-S85 CarbonylContact O-C 3.57Å; D64-S85 WeakPolarHBondContact O-CA 3.37Å; D64-V86 PolarHBondContact O-N 3.06Å; D64-I137 HydrophobicContact CB-CD1 4.04Å; D64-I137 HydrophobicContact CB-CG1 3.79Å |
| 65 | V | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -90.2 | 0.4 | -179.6 | -59.3 | 0 | 0 | 0 | 0 | 113.1 | L63 V86 W119 L122 V136 I137 C138 I163 | L63-V65 HydrophobicContact CD2-CG1 3.63Å; L63-V65 HydrophobicContact CG-CG1 3.7Å; V65-V86 CarbonylContact C-O 3.6Å; V65-V86 VanDerWaalsContact C-O 3.3Å; V65-V86 HydrophobicContact CB-CG2 4.36Å; V65-V86 HydrophobicContact CG1-CG2 4.36Å; V65-W119 PolarHBondContact O-NE1 3.38Å; V65-L122 HydrophobicContact CG1-CD1 4.46Å; V65-L122 HydrophobicContact CG1-CD2 3.94Å; V65-V136 HydrophobicContact CG1-CG1 3.81Å; V65-V136 HydrophobicContact CG2-CG1 4.43Å; V65-I137 WeakPolarHBondContact CG2-O 3.44Å; V65-I137 PolarHBondContact N-O 3.24Å; V65-C138 HydrophobicContact CG2-CB 3.61Å; V65-I163 HydrophobicContact CG2-CD1 4.15Å; V65-I163 HydrophobicContact CG2-CG1 4.25Å; V65-I163 HydrophobicContact CG2-CG2 4.49Å |
| 66 | A | 97.9 | Very high | 97.2 | Very high | 11 Ų | 11 | 28.4 Ų | 28.4 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | trans | -134.4 | 52.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | D64 G68 W119 S142 | D64-A66 VanDerWaalsContact C-N 3.34Å; D64-A66 VanDerWaalsContact OD1-C 3.27Å; D64-A66 PolarHBondContact OD1-N 3.19Å; A66-G68 PolarHBondContact O-N 3.26Å; A66-G68 VanDerWaalsContact O-N 3.15Å; A66-W119 HydrophobicContact CB-CZ2 4.3Å; A66-S142 VanDerWaalsContact CB-CB 3.48Å | ||
| 67 | C | 97.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 21 Ų | 21 | 3% | 0.034 | 12% | 0.115 | C | C | . | . | trans | -53 | -40.7 | -171.2 | -180 | 0 | 0 | 0 | 0 | 112.2 | D64 T69 G70 S85 V86 D87 L93 | D64-C67 PolarHBondContact OD1-N 2.84Å; C67-T69 PolarHBondContact O-N 2.98Å; C67-G70 VanDerWaalsContact O-CA 3.28Å; C67-G70 WeakPolarHBondContact O-CA 3.46Å; C67-G70 PolarHBondContact O-N 2.84Å; C67-S85 WeakPolarHBondContact SG-CB 3.43Å; C67-V86 VanDerWaalsContact CB-O 3.28Å; C67-V86 WeakPolarHBondContact CB-O 3.34Å; C67-V86 PolarHBondContact N-O 3.23Å; C67-D87 HydrophobicContact CB-CB 4.16Å; C67-L93 HydrophobicContact CB-CD2 3.97Å | ||
| 68 | G | 94.6 | Very high | 97.3 | Very high | 9 Ų | 9 | 23 Ų | 23 | 9% | 0.093 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | -126.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | A66 G70 D87 M92 | A66-G68 PolarHBondContact O-N 3.26Å; A66-G68 VanDerWaalsContact O-N 3.15Å; G68-G70 PolarHBondContact O-N 2.91Å; G68-D87 WeakPolarHBondContact CA-OD2 3.38Å; G68-D87 PolarHBondContact N-OD2 3Å; G68-M92 CarbonylContact O-C 3.48Å; G68-M92 VanDerWaalsContact O-O 3.13Å |
| 69 | T | 93.7 | Very high | 97.3 | Very high | 13 Ų | 13 | 23.9 Ų | 23.9 | 8% | 0.08 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 5.2 | 174.8 | 59.8 | 0 | 0 | 0 | 0 | 113.6 | C67 M92 Y95 | C67-T69 PolarHBondContact O-N 2.98Å; T69-M92 HydrophobicContact CG2-CE 4.14Å; T69-M92 HydrophobicContact CG2-SD 4.17Å; T69-Y95 HydrophobicContact CG2-CD2 3.98Å; T69-Y95 HydrophobicContact CG2-CG 4.02Å |
| 70 | G | 95.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | 90.7 | 7.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | C67 G68 D72 S73 I74 | C67-G70 VanDerWaalsContact O-CA 3.28Å; C67-G70 WeakPolarHBondContact O-CA 3.46Å; C67-G70 PolarHBondContact O-N 2.84Å; G68-G70 PolarHBondContact O-N 2.91Å; G70-D72 PolarHBondContact O-N 2.89Å; G70-S73 CarbonylContact O-C 3.54Å; G70-S73 PolarHBondContact O-N 3.27Å; G70-S73 VanDerWaalsContact O-N 3.16Å; G70-I74 WeakPolarHBondContact O-CB 3.4Å; G70-I74 VanDerWaalsContact O-CD1 3.28Å; G70-I74 WeakPolarHBondContact O-CD1 3.32Å; G70-I74 WeakPolarHBondContact O-CG1 3.3Å; G70-I74 PolarHBondContact O-N 2.97Å |
| 71 | V | 93.4 | Very high | 97.3 | Very high | 15 Ų | 15 | 21.5 Ų | 21.5 | 9% | 0.091 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.2 | -50.5 | -169.8 | 178.4 | 0 | 0 | 0 | 0 | 113 | I36 T39 T43 M75 | I36-V71 HydrophobicContact CD1-CG2 4.07Å; T39-V71 HydrophobicContact CG2-CG1 4.27Å; T39-V71 HydrophobicContact CG2-CG2 3.79Å; T43-V71 HydrophobicContact CG2-CG1 3.96Å; V71-M75 PolarHBondContact O-N 2.77Å |
| 72 | D | 96 | Very high | 97.3 | Very high | 12 Ų | 12 | 22.6 Ų | 22.6 | 6% | 0.064 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -69.1 | -40.5 | 179.4 | -70.3 | -62.4 | 0 | 0 | 0 | 111.7 | R42 Y46 G70 M75 L76 | R42-D72 IonicContact CZ-OD2 3.49Å; R42-D72 IonicContact NH2-OD2 2.68Å; R42-D72 PolarHBondContact NH2-OD2 2.99Å; Y46-D72 WeakPolarHBondContact CE2-OD1 3.32Å; Y46-D72 PolarHBondContact OH-OD1 3.26Å; G70-D72 PolarHBondContact O-N 2.89Å; D72-M75 PolarHBondContact O-N 2.88Å; D72-L76 WeakPolarHBondContact O-CG 3.26Å; D72-L76 PolarHBondContact O-N 3.4Å; D72-L76 VanDerWaalsContact O-N 3.15Å |
| 73 | S | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -62.9 | -45.8 | 176.8 | -76.3 | 0 | 0 | 0 | 0 | 113 | D64 G70 M75 L76 V77 S85 | D64-S73 WeakPolarHBondContact CB-OG 3.32Å; D64-S73 PolarHBondContact OD2-OG 3.21Å; G70-S73 CarbonylContact O-C 3.54Å; G70-S73 PolarHBondContact O-N 3.27Å; G70-S73 VanDerWaalsContact O-N 3.16Å; S73-M75 VanDerWaalsContact C-N 3.35Å; S73-M75 PolarHBondContact O-N 2.92Å; S73-L76 PolarHBondContact O-N 2.74Å; S73-L76 VanDerWaalsContact O-N 3.13Å; S73-V77 WeakPolarHBondContact O-CG2 3.41Å; S73-V77 PolarHBondContact O-N 2.92Å; S73-S85 WeakPolarHBondContact CB-OG 2.99Å; S73-S85 WeakPolarHBondContact OG-CB 3.16Å; S73-S85 PolarHBondContact OG-OG 3.2Å |
| 74 | I | 97.6 | Very high | 97.3 | Very high | 27 Ų | 27 | 24.2 Ų | 24.2 | 14% | 0.138 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -58 | -48.5 | 177.4 | -69.1 | 156.5 | 0 | 0 | 0 | 109.9 | G70 L76 V77 E78 E99 F109 W112 | G70-I74 WeakPolarHBondContact O-CB 3.4Å; G70-I74 VanDerWaalsContact O-CD1 3.28Å; G70-I74 WeakPolarHBondContact O-CD1 3.32Å; G70-I74 WeakPolarHBondContact O-CG1 3.3Å; G70-I74 PolarHBondContact O-N 2.97Å; I74-L76 VanDerWaalsContact C-N 3.26Å; I74-L76 PolarHBondContact O-N 3.31Å; I74-V77 PolarHBondContact O-N 3Å; I74-E78 WeakPolarHBondContact O-CG 3.31Å; I74-E78 PolarHBondContact O-N 2.86Å; I74-E99 HydrophobicContact CD1-CB 4.16Å; I74-E99 HydrophobicContact CD1-CG 3.66Å; I74-E99 HydrophobicContact CG1-CG 4.02Å; I74-F109 HydrophobicContact CG1-CE1 4.38Å; I74-F109 HydrophobicContact CG2-CE1 4.16Å; I74-F109 HydrophobicContact CG2-CZ 4.05Å; I74-W112 HydrophobicContact CD1-CH2 4.42Å; I74-W112 HydrophobicContact CG1-CH2 3.74Å; I74-W112 HydrophobicContact CG1-CZ3 3.84Å |
| 75 | M | 97 | Very high | 97.3 | Very high | 5 Ų | 5 | 24 Ų | 24 | 3% | 0.025 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -55.2 | -42.4 | 176.6 | 177.8 | -162.9 | 69.9 | 0 | 0 | 111.7 | T43 Y46 K47 V71 D72 S73 E78 E79 | T43-M75 HydrophobicContact CG2-CB 4.14Å; T43-M75 HydrophobicContact CG2-CG 4.26Å; T43-M75 HydrophobicContact CG2-SD 3.77Å; Y46-M75 HydrophobicContact CE2-CE 4.29Å; Y46-M75 HydrophobicContact CE2-SD 4.35Å; K47-M75 HydrophobicContact CB-SD 3.53Å; K47-M75 VanDerWaalsContact CB-SD 3.53Å; K47-M75 HydrophobicContact CD-CG 3.9Å; K47-M75 HydrophobicContact CD-SD 4.01Å; K47-M75 HydrophobicContact CG-CG 4.04Å; K47-M75 HydrophobicContact CG-SD 3.59Å; K47-M75 VanDerWaalsContact CG-SD 3.59Å; V71-M75 PolarHBondContact O-N 2.77Å; D72-M75 PolarHBondContact O-N 2.88Å; S73-M75 VanDerWaalsContact C-N 3.35Å; S73-M75 PolarHBondContact O-N 2.92Å; M75-E78 PolarHBondContact O-N 2.85Å; M75-E79 WeakPolarHBondContact O-CG 3.4Å; M75-E79 PolarHBondContact O-N 2.71Å; M75-E79 VanDerWaalsContact O-N 3.13Å |
| 76 | L | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 24.1 Ų | 24.1 | 1% | 0.005 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -77.3 | -31.9 | -178.8 | -66.6 | 173.9 | 0 | 0 | 0 | 113.1 | V50 V51 L54 I62 D72 S73 I74 E78 E79 G80 F81 M83 I137 | V50-L76 HydrophobicContact CG1-CD2 4.38Å; V51-L76 HydrophobicContact CG2-CD2 4.29Å; L54-L76 HydrophobicContact CD1-CD1 4.4Å; L54-L76 HydrophobicContact CD1-CD2 3.57Å; I62-L76 HydrophobicContact CD1-CD1 3.97Å; I62-L76 HydrophobicContact CD1-CD2 4.48Å; I62-L76 HydrophobicContact CG2-CD1 4.49Å; D72-L76 WeakPolarHBondContact O-CG 3.26Å; D72-L76 PolarHBondContact O-N 3.4Å; D72-L76 VanDerWaalsContact O-N 3.15Å; S73-L76 PolarHBondContact O-N 2.74Å; S73-L76 VanDerWaalsContact O-N 3.13Å; I74-L76 VanDerWaalsContact C-N 3.26Å; I74-L76 PolarHBondContact O-N 3.31Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E79 PolarHBondContact O-N 3.13Å; L76-G80 PolarHBondContact O-N 2.86Å; L76-F81 HydrophobicContact CB-CB 4.38Å; L76-F81 HydrophobicContact CB-CD2 4.11Å; L76-F81 HydrophobicContact CD2-CD2 3.77Å; L76-F81 HydrophobicContact CD2-CE2 3.89Å; L76-F81 WeakPolarHBondContact O-CB 3.18Å; L76-F81 WeakPolarHBondContact O-CD2 3.39Å; L76-F81 PolarHBondContact O-N 3.02Å; L76-M83 HydrophobicContact CB-CE 4.43Å; L76-M83 HydrophobicContact CB-CG 4.09Å; L76-M83 HydrophobicContact CB-SD 3.49Å; L76-M83 WeakPolarHBondContact CB-SD 3.17Å; L76-M83 HydrophobicContact CD1-CE 4.11Å; L76-M83 HydrophobicContact CD1-SD 3.92Å; L76-M83 HydrophobicContact CG-SD 4.37Å; L76-I137 HydrophobicContact CD1-CD1 3.65Å |
| 77 | V | 98.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 1% | 0.012 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 168.8 | 172.2 | 0 | 0 | 0 | 0 | 110 | S73 I74 E79 G80 M83 A108 F109 W112 | S73-V77 WeakPolarHBondContact O-CG2 3.41Å; S73-V77 PolarHBondContact O-N 2.92Å; I74-V77 PolarHBondContact O-N 3Å; V77-E79 VanDerWaalsContact C-N 3.28Å; V77-E79 PolarHBondContact O-N 3.13Å; V77-G80 PolarHBondContact O-N 3.38Å; V77-M83 HydrophobicContact CG2-CB 3.8Å; V77-M83 HydrophobicContact CG2-CG 3.54Å; V77-A108 HydrophobicContact CG1-CB 3.68Å; V77-F109 HydrophobicContact CB-CE2 4.48Å; V77-F109 HydrophobicContact CB-CZ 4.28Å; V77-F109 HydrophobicContact CG1-CD1 4.23Å; V77-F109 HydrophobicContact CG1-CD2 3.73Å; V77-F109 HydrophobicContact CG1-CE1 4.18Å; V77-F109 HydrophobicContact CG1-CE2 3.64Å; V77-F109 HydrophobicContact CG1-CG 4Å; V77-F109 HydrophobicContact CG1-CZ 3.86Å; V77-W112 HydrophobicContact CG2-CB 3.99Å; V77-W112 HydrophobicContact CG2-CD2 4Å; V77-W112 HydrophobicContact CG2-CE3 4.46Å; V77-W112 HydrophobicContact CG2-CG 3.77Å |
| 78 | E | 97.3 | Very high | 97 | Very high | 100 Ų | 100 | 25.5 Ų | 25.5 | 47% | 0.467 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.5 | -32.2 | 177.9 | -70.5 | 178.8 | 157.3 | 0 | 0 | 113 | I74 M75 L76 G80 R103 F109 | I74-E78 WeakPolarHBondContact O-CG 3.31Å; I74-E78 PolarHBondContact O-N 2.86Å; M75-E78 PolarHBondContact O-N 2.85Å; L76-E78 VanDerWaalsContact C-N 3.33Å; E78-G80 PolarHBondContact O-N 3.38Å; E78-R103 IonicContact OE1-CZ 3.49Å; E78-R103 IonicContact OE1-NH1 2.94Å; E78-R103 PolarHBondContact OE1-NH1 3.29Å; E78-R103 IonicContact OE1-NH2 3.97Å; E78-R103 PolarHBondContact OE1-NH2 3.32Å; E78-F109 HydrophobicContact CG-CE2 4.09Å; E78-F109 HydrophobicContact CG-CZ 3.96Å |
| 79 | E | 97.8 | Very high | 96.8 | Very high | 65 Ų | 65 | 25.2 Ų | 25.2 | 30% | 0.304 | 14% | 0.142 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 1.3 | 174.5 | -70.4 | -68.1 | 141.5 | 0 | 0 | 113.7 | K47 V51 K55 M75 L76 V77 F81 | K47-E79 VanDerWaalsContact CE-CD 3.49Å; K47-E79 WeakPolarHBondContact CE-OE1 3.47Å; K47-E79 IonicContact NZ-OE1 2.71Å; K47-E79 PolarHBondContact NZ-OE1 2.92Å; V51-E79 HydrophobicContact CG2-CB 4.42Å; V51-E79 HydrophobicContact CG2-CG 3.83Å; K55-E79 IonicContact NZ-OE2 3.44Å; K55-E79 PolarHBondContact NZ-OE2 2.97Å; M75-E79 WeakPolarHBondContact O-CG 3.4Å; M75-E79 PolarHBondContact O-N 2.71Å; M75-E79 VanDerWaalsContact O-N 3.13Å; L76-E79 PolarHBondContact O-N 3.13Å; V77-E79 VanDerWaalsContact C-N 3.28Å; V77-E79 PolarHBondContact O-N 3.13Å; E79-F81 HydrophobicContact CB-CD2 3.89Å; E79-F81 HydrophobicContact CB-CE2 3.87Å |
| 80 | G | 97.8 | Very high | 96.5 | Very high | 62 Ų | 62 | 28.4 Ų | 28.4 | 64% | 0.639 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 88.3 | 12.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | L76 V77 E78 | L76-G80 PolarHBondContact O-N 2.86Å; V77-G80 PolarHBondContact O-N 3.38Å; E78-G80 PolarHBondContact O-N 3.38Å |
| 81 | F | 98.5 | Very high | 96.1 | Very high | 19 Ų | 19 | 32 Ų | 32 | 8% | 0.083 | 17% | 0.174 | C | C | . | . | trans | -77.5 | 150.2 | 173.6 | -63.3 | -80.7 | 0 | 0 | 0 | 111.5 | V51 L54 K55 V59 I62 L76 E79 M83 | V51-F81 HydrophobicContact CG1-CE2 4.37Å; L54-F81 HydrophobicContact CB-CE1 3.87Å; L54-F81 HydrophobicContact CB-CZ 3.66Å; L54-F81 HydrophobicContact CD1-CE1 4.42Å; L54-F81 HydrophobicContact CD1-CE2 4.14Å; L54-F81 HydrophobicContact CD1-CZ 3.99Å; L54-F81 HydrophobicContact CG-CZ 4.5Å; K55-F81 HydrophobicContact CG-CZ 4.24Å; V59-F81 HydrophobicContact CB-CE1 4.37Å; V59-F81 HydrophobicContact CG1-CD1 4.22Å; V59-F81 HydrophobicContact CG1-CE1 4.22Å; V59-F81 WeakPolarHBondContact O-CE1 3.35Å; I62-F81 HydrophobicContact CD1-CB 3.77Å; I62-F81 HydrophobicContact CD1-CD1 3.67Å; I62-F81 HydrophobicContact CD1-CD2 4.22Å; I62-F81 HydrophobicContact CD1-CE1 4.28Å; I62-F81 HydrophobicContact CD1-CG 3.62Å; I62-F81 HydrophobicContact CG1-CB 4.36Å; I62-F81 HydrophobicContact CG1-CD1 4.35Å; L76-F81 HydrophobicContact CB-CB 4.38Å; L76-F81 HydrophobicContact CB-CD2 4.11Å; L76-F81 HydrophobicContact CD2-CD2 3.77Å; L76-F81 HydrophobicContact CD2-CE2 3.89Å; L76-F81 WeakPolarHBondContact O-CB 3.18Å; L76-F81 WeakPolarHBondContact O-CD2 3.39Å; L76-F81 PolarHBondContact O-N 3.02Å; E79-F81 HydrophobicContact CB-CD2 3.89Å; E79-F81 HydrophobicContact CB-CE2 3.87Å; F81-M83 HydrophobicContact CB-SD 4.29Å; F81-M83 PolarHBondContact O-N 2.86Å | ||
| 82 | K | 98.4 | Very high | 95.8 | Very high | 124 Ų | 124 | 31.6 Ų | 31.6 | 54% | 0.539 | 17% | 0.171 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 101.7 | 173.6 | -65.5 | 176.5 | -177.9 | 172.6 | 0 | 108.9 | Q60 R61 I62 | Q60-K82 WeakPolarHBondContact O-CB 3.46Å; Q60-K82 PolarHBondContact O-N 2.89Å; R61-K82 WeakPolarHBondContact CA-O 3.49Å; R61-K82 HydrophobicContact CG-CB 4.04Å; R61-K82 HydrophobicContact CG-CD 4.17Å; I62-K82 PolarHBondContact N-O 3.42Å |
| 83 | M | 98.4 | Very high | 95.6 | Very high | 5 Ų | 5 | 31.3 Ų | 31.3 | 3% | 0.025 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 134.3 | -176.2 | -65.6 | -56.5 | -56.3 | 0 | 0 | 112.3 | I62 D64 L76 V77 F81 W112 V113 | I62-M83 HydrophobicContact CB-CE 3.99Å; I62-M83 HydrophobicContact CB-SD 3.58Å; I62-M83 VanDerWaalsContact CB-SD 3.58Å; I62-M83 HydrophobicContact CD1-SD 4.04Å; I62-M83 HydrophobicContact CG1-SD 4.23Å; I62-M83 HydrophobicContact CG2-CE 3.83Å; I62-M83 HydrophobicContact CG2-SD 3.99Å; D64-M83 HydrophobicContact CB-CE 3.88Å; L76-M83 HydrophobicContact CB-CE 4.43Å; L76-M83 HydrophobicContact CB-CG 4.09Å; L76-M83 HydrophobicContact CB-SD 3.49Å; L76-M83 WeakPolarHBondContact CB-SD 3.17Å; L76-M83 HydrophobicContact CD1-CE 4.11Å; L76-M83 HydrophobicContact CD1-SD 3.92Å; L76-M83 HydrophobicContact CG-SD 4.37Å; V77-M83 HydrophobicContact CG2-CB 3.8Å; V77-M83 HydrophobicContact CG2-CG 3.54Å; F81-M83 HydrophobicContact CB-SD 4.29Å; F81-M83 PolarHBondContact O-N 2.86Å; M83-W112 HydrophobicContact CB-CG 4.39Å; M83-V113 PolarHBondContact O-N 3.26Å; M83-V113 VanDerWaalsContact O-N 3.15Å |
| 84 | T | 98.8 | Very high | 95.3 | Very high | 29 Ų | 29 | 38 Ų | 38 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 128.6 | 154.2 | -60.4 | 0 | 0 | 0 | 0 | 107 | I62 L63 D64 V113 F133 | I62-T84 PolarHBondContact O-N 3.47Å; L63-T84 CarbonylContact C-O 3.19Å; L63-T84 VanDerWaalsContact CA-O 3.29Å; L63-T84 WeakPolarHBondContact CA-O 3.43Å; L63-T84 HydrophobicContact CD1-CG2 3.88Å; D64-T84 PolarHBondContact N-O 2.8Å; T84-V113 CarbonylContact C-O 3.19Å; T84-V113 WeakPolarHBondContact CA-O 3.41Å; T84-V113 HydrophobicContact CG2-CB 4.16Å; T84-V113 HydrophobicContact CG2-CG1 3.98Å; T84-F133 HydrophobicContact CG2-CZ 4.39Å |
| 85 | S | 98.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 131.6 | -174.1 | -48.6 | 0 | 0 | 0 | 0 | 110.1 | D64 C67 S73 W112 V113 I114 E115 | D64-S85 CarbonylContact O-C 3.57Å; D64-S85 WeakPolarHBondContact O-CA 3.37Å; C67-S85 WeakPolarHBondContact SG-CB 3.43Å; S73-S85 WeakPolarHBondContact CB-OG 2.99Å; S73-S85 WeakPolarHBondContact OG-CB 3.16Å; S73-S85 PolarHBondContact OG-OG 3.2Å; S85-W112 PolarHBondContact OG-NE1 2.91Å; S85-V113 PolarHBondContact N-O 3.03Å; S85-I114 VanDerWaalsContact O-CA 3.29Å; S85-I114 WeakPolarHBondContact O-CA 2.84Å; S85-E115 PolarHBondContact O-N 3.41Å; S85-E115 VanDerWaalsContact O-N 3.07Å |
| 86 | V | 98.4 | Very high | 95 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.012 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 150.9 | -177.9 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | L63 D64 V65 C67 E115 A117 L122 V126 | L63-V86 HydrophobicContact CD1-CG1 4.47Å; L63-V86 HydrophobicContact CD1-CG2 4.19Å; D64-V86 PolarHBondContact O-N 3.06Å; V65-V86 CarbonylContact C-O 3.6Å; V65-V86 VanDerWaalsContact C-O 3.3Å; V65-V86 HydrophobicContact CB-CG2 4.36Å; V65-V86 HydrophobicContact CG1-CG2 4.36Å; C67-V86 VanDerWaalsContact CB-O 3.28Å; C67-V86 WeakPolarHBondContact CB-O 3.34Å; C67-V86 PolarHBondContact N-O 3.23Å; V86-E115 VanDerWaalsContact CA-O 3.25Å; V86-E115 WeakPolarHBondContact CA-O 3.41Å; V86-E115 HydrophobicContact CG1-CB 4.22Å; V86-A117 HydrophobicContact CB-CB 3.65Å; V86-A117 HydrophobicContact CG1-CB 3.94Å; V86-A117 HydrophobicContact CG2-CB 3.89Å; V86-L122 HydrophobicContact CG2-CD1 4.06Å; V86-V126 HydrophobicContact CG1-CG2 3.82Å; V86-V126 HydrophobicContact CG2-CG2 4.38Å |
| 87 | D | 97.3 | Very high | 94.9 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 14% | 0.139 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 157 | 172.7 | -155.3 | -72.8 | 0 | 0 | 0 | 109 | C67 G68 S89 L93 E116 A117 | C67-D87 HydrophobicContact CB-CB 4.16Å; G68-D87 WeakPolarHBondContact CA-OD2 3.38Å; G68-D87 PolarHBondContact N-OD2 3Å; D87-S89 WeakPolarHBondContact OD1-CB 3.44Å; D87-S89 PolarHBondContact OD1-N 2.89Å; D87-L93 HydrophobicContact CB-CD1 4.19Å; D87-L93 HydrophobicContact CB-CD2 3.55Å; D87-L93 HydrophobicContact CB-CG 3.71Å; D87-E116 WeakPolarHBondContact O-CA 3.29Å; D87-A117 CarbonylContact C-O 3.57Å; D87-A117 PolarHBondContact O-N 3.41Å |
| 88 | A | 93.3 | Very high | 94.9 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 17% | 0.165 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -85.4 | -17.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L19 A117 | L19-A88 HydrophobicContact CD2-CB 3.81Å; A88-A117 WeakPolarHBondContact CA-O 3.25Å; A88-A117 PolarHBondContact N-O 2.75Å |
| 89 | S | 90 | Very high | 94.8 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | trans | -95.8 | 107.2 | -178.5 | -173.4 | 0 | 0 | 0 | 0 | 111.9 | D21 D87 K91 M92 L93 | D21-S89 PolarHBondContact OD1-OG 3.43Å; D21-S89 PolarHBondContact OD2-OG 2.8Å; D87-S89 WeakPolarHBondContact OD1-CB 3.44Å; D87-S89 PolarHBondContact OD1-N 2.89Å; S89-K91 PolarHBondContact O-N 2.88Å; S89-M92 PolarHBondContact O-N 3.26Å; S89-M92 VanDerWaalsContact O-N 3.07Å; S89-L93 PolarHBondContact O-N 2.95Å | ||
| 90 | D | 86.4 | Confident | 94.8 | Very high | 81 Ų | 81 | 46.1 Ų | 46.1 | 43% | 0.433 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.2 | -32.4 | 173.5 | 79.9 | -35.2 | 0 | 0 | 0 | 112.2 | M92 K94 | D90-M92 VanDerWaalsContact C-N 3.32Å; D90-M92 PolarHBondContact O-N 3.44Å; D90-K94 WeakPolarHBondContact O-CB 3.24Å; D90-K94 PolarHBondContact O-N 3.05Å |
| 91 | K | 87.4 | Confident | 94.8 | Very high | 75 Ų | 75 | 51.1 Ų | 51.1 | 33% | 0.326 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.7 | -36.1 | 177.9 | -61.8 | -62.7 | 168 | -77.5 | 0 | 112.2 | A29 S89 Y95 | A29-K91 HydrophobicContact CB-CB 4.19Å; S89-K91 PolarHBondContact O-N 2.88Å; K91-Y95 VanDerWaalsContact O-CD2 3.29Å; K91-Y95 WeakPolarHBondContact O-CD2 3.44Å; K91-Y95 WeakPolarHBondContact O-CE2 3.45Å |
| 92 | M | 87.2 | Confident | 94.8 | Very high | 6 Ų | 6 | 55.3 Ų | 55.3 | 3% | 0.03 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -79.1 | -48 | 177.6 | -64 | -71.9 | -80.8 | 0 | 0 | 110.4 | Y23 A29 W32 G68 T69 S89 D90 K94 Y95 | Y23-M92 HydrophobicContact CD1-CG 4.4Å; Y23-M92 HydrophobicContact CD1-SD 4.07Å; Y23-M92 HydrophobicContact CD2-CG 4.36Å; Y23-M92 HydrophobicContact CE1-CE 4.36Å; Y23-M92 HydrophobicContact CE1-SD 4.45Å; Y23-M92 HydrophobicContact CG-CG 4.1Å; Y23-M92 HydrophobicContact CG-SD 4.36Å; A29-M92 HydrophobicContact CB-SD 3.97Å; W32-M92 HydrophobicContact CG-CE 4.17Å; G68-M92 CarbonylContact O-C 3.48Å; G68-M92 VanDerWaalsContact O-O 3.13Å; T69-M92 HydrophobicContact CG2-CE 4.14Å; T69-M92 HydrophobicContact CG2-SD 4.17Å; S89-M92 PolarHBondContact O-N 3.26Å; S89-M92 VanDerWaalsContact O-N 3.07Å; D90-M92 VanDerWaalsContact C-N 3.32Å; D90-M92 PolarHBondContact O-N 3.44Å; M92-K94 PolarHBondContact O-N 2.92Å; M92-K94 VanDerWaalsContact O-N 3.14Å; M92-Y95 PolarHBondContact O-N 2.68Å |
| 93 | L | 91.3 | Very high | 94.8 | Very high | 7 Ų | 7 | 51.9 Ų | 51.9 | 4% | 0.037 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57 | -32.2 | 178.6 | -72.4 | -178.6 | 0 | 0 | 0 | 113.2 | C67 D87 S89 Y95 A96 L97 I114 E115 E116 | C67-L93 HydrophobicContact CB-CD2 3.97Å; D87-L93 HydrophobicContact CB-CD1 4.19Å; D87-L93 HydrophobicContact CB-CD2 3.55Å; D87-L93 HydrophobicContact CB-CG 3.71Å; S89-L93 PolarHBondContact O-N 2.95Å; L93-Y95 PolarHBondContact O-N 3.31Å; L93-Y95 VanDerWaalsContact O-N 3.1Å; L93-A96 PolarHBondContact O-N 3.48Å; L93-A96 VanDerWaalsContact O-N 3.09Å; L93-L97 HydrophobicContact CB-CD1 4.47Å; L93-L97 WeakPolarHBondContact O-CB 3.43Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 2.89Å; L93-I114 HydrophobicContact CD2-CG2 3.79Å; L93-E115 WeakPolarHBondContact CD1-O 3.29Å; L93-E116 HydrophobicContact CD1-CB 4.18Å |
| 94 | K | 93.3 | Very high | 94.8 | Very high | 139 Ų | 139 | 56.1 Ų | 56.1 | 60% | 0.604 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -47.3 | -40 | 173.4 | 179.4 | -175.7 | 171.7 | -175.3 | 0 | 112.7 | D90 M92 K98 | D90-K94 WeakPolarHBondContact O-CB 3.24Å; D90-K94 PolarHBondContact O-N 3.05Å; M92-K94 PolarHBondContact O-N 2.92Å; M92-K94 VanDerWaalsContact O-N 3.14Å; K94-K98 WeakPolarHBondContact O-CB 3.36Å; K94-K98 PolarHBondContact O-N 3.09Å |
| 95 | Y | 92.3 | Very high | 94.8 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 21% | 0.212 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.3 | -41.7 | -178.9 | -66.1 | -89.8 | 0 | 0 | 0 | 112 | A29 T69 K91 M92 L93 K98 E99 | A29-Y95 HydrophobicContact CB-CE2 4.09Å; A29-Y95 PolarHBondContact O-OH 3.28Å; T69-Y95 HydrophobicContact CG2-CD2 3.98Å; T69-Y95 HydrophobicContact CG2-CG 4.02Å; K91-Y95 VanDerWaalsContact O-CD2 3.29Å; K91-Y95 WeakPolarHBondContact O-CD2 3.44Å; K91-Y95 WeakPolarHBondContact O-CE2 3.45Å; M92-Y95 PolarHBondContact O-N 2.68Å; L93-Y95 PolarHBondContact O-N 3.31Å; L93-Y95 VanDerWaalsContact O-N 3.1Å; Y95-K98 WeakPolarHBondContact O-CB 3.3Å; Y95-K98 PolarHBondContact O-N 3.32Å; Y95-E99 PolarHBondContact O-N 3.35Å |
| 96 | A | 95.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 67.4 Ų | 67.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L93 K98 E99 R100 W112 I114 | L93-A96 PolarHBondContact O-N 3.48Å; L93-A96 VanDerWaalsContact O-N 3.09Å; A96-K98 VanDerWaalsContact C-N 3.33Å; A96-K98 PolarHBondContact O-N 3.37Å; A96-E99 PolarHBondContact O-N 2.91Å; A96-R100 PolarHBondContact O-N 3.01Å; A96-W112 HydrophobicContact CB-CH2 3.88Å; A96-W112 HydrophobicContact CB-CZ2 4.24Å; A96-I114 HydrophobicContact CB-CD1 4.02Å; A96-I114 HydrophobicContact CB-CG2 4.5Å |
| 97 | L | 97.3 | Very high | 94.7 | Very high | 69 Ų | 69 | 76.2 Ų | 76.2 | 36% | 0.361 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.5 | -40 | 175.3 | -73.4 | 167.3 | 0 | 0 | 0 | 112.2 | L93 W101 I114 | L93-L97 HydrophobicContact CB-CD1 4.47Å; L93-L97 WeakPolarHBondContact O-CB 3.43Å; L93-L97 WeakPolarHBondContact O-CG 3.36Å; L93-L97 PolarHBondContact O-N 2.89Å; L97-W101 WeakPolarHBondContact O-CB 3.42Å; L97-W101 PolarHBondContact O-N 2.86Å; L97-I114 HydrophobicContact CD2-CB 3.94Å; L97-I114 HydrophobicContact CD2-CD1 4.26Å; L97-I114 HydrophobicContact CD2-CG2 4Å; L97-I114 HydrophobicContact CG-CG2 4.09Å |
| 98 | K | 96.8 | Very high | 94.7 | Very high | 119 Ų | 119 | 77.1 Ų | 77.1 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -62 | -48.8 | 175.1 | -178.7 | -176.7 | 169.1 | -171.8 | 0 | 111.2 | K94 Y95 A96 R100 W101 E102 | K94-K98 WeakPolarHBondContact O-CB 3.36Å; K94-K98 PolarHBondContact O-N 3.09Å; Y95-K98 WeakPolarHBondContact O-CB 3.3Å; Y95-K98 PolarHBondContact O-N 3.32Å; A96-K98 VanDerWaalsContact C-N 3.33Å; A96-K98 PolarHBondContact O-N 3.37Å; K98-R100 PolarHBondContact O-N 2.99Å; K98-W101 WeakPolarHBondContact O-CB 3.37Å; K98-W101 PolarHBondContact O-N 3.29Å; K98-E102 WeakPolarHBondContact CE-OE1 3.34Å; K98-E102 IonicContact NZ-OE1 2.74Å; K98-E102 WeakPolarHBondContact O-CG 3.38Å; K98-E102 PolarHBondContact O-N 2.94Å |
| 99 | E | 96.9 | Very high | 95 | Very high | 59 Ų | 59 | 76.2 Ų | 76.2 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -48 | 178.2 | -175.5 | 69.6 | -159.3 | 0 | 0 | 111.3 | I74 Y95 A96 W101 E102 R103 F109 | I74-E99 HydrophobicContact CD1-CB 4.16Å; I74-E99 HydrophobicContact CD1-CG 3.66Å; I74-E99 HydrophobicContact CG1-CG 4.02Å; Y95-E99 PolarHBondContact O-N 3.35Å; A96-E99 PolarHBondContact O-N 2.91Å; E99-W101 VanDerWaalsContact C-N 3.26Å; E99-W101 PolarHBondContact O-N 2.92Å; E99-E102 PolarHBondContact O-N 3.1Å; E99-R103 PolarHBondContact O-N 2.87Å; E99-R103 WeakPolarHBondContact OE1-CD 3.19Å; E99-R103 IonicContact OE1-NH1 3.49Å; E99-F109 HydrophobicContact CG-CE1 4.49Å |
| 100 | R | 97.9 | Very high | 95.4 | Very high | 71 Ų | 71 | 81.6 Ų | 81.6 | 27% | 0.268 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -54.9 | -44.4 | 175.8 | -172 | -177.9 | 67.3 | 173.9 | -1 | 111.4 | A96 K98 R103 R104 F109 W112 I114 | A96-R100 PolarHBondContact O-N 3.01Å; K98-R100 PolarHBondContact O-N 2.99Å; R100-R103 CarbonylContact O-C 3.49Å; R100-R103 PolarHBondContact O-N 2.84Å; R100-R104 WeakPolarHBondContact O-CA 3.33Å; R100-R104 PolarHBondContact O-N 3.01Å; R100-F109 VanDerWaalsContact CG-O 3.24Å; R100-F109 WeakPolarHBondContact CG-O 3.14Å; R100-W112 HydrophobicContact CB-CE3 3.74Å; R100-W112 HydrophobicContact CB-CZ3 3.91Å; R100-W112 WeakPolarHBondContact CD-O 3Å; R100-W112 HydrophobicContact CG-CE3 3.95Å; R100-W112 PolarHBondContact NH1-O 3.13Å; R100-I114 HydrophobicContact CB-CD1 3.86Å; R100-I114 HydrophobicContact CG-CD1 4.39Å |
| 101 | W | 97.8 | Very high | 95.9 | Very high | 166 Ų | 166 | 82.4 Ų | 82.4 | 63% | 0.629 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 178.5 | 178.1 | -101.3 | 0 | 0 | 0 | 112.4 | L97 K98 E99 R103 R104 | L97-W101 WeakPolarHBondContact O-CB 3.42Å; L97-W101 PolarHBondContact O-N 2.86Å; K98-W101 WeakPolarHBondContact O-CB 3.37Å; K98-W101 PolarHBondContact O-N 3.29Å; E99-W101 VanDerWaalsContact C-N 3.26Å; E99-W101 PolarHBondContact O-N 2.92Å; W101-R103 VanDerWaalsContact C-N 3.26Å; W101-R103 PolarHBondContact O-N 2.86Å; W101-R104 WeakPolarHBondContact O-CB 3.39Å; W101-R104 WeakPolarHBondContact O-CD 3.43Å; W101-R104 WeakPolarHBondContact O-CG 3.41Å; W101-R104 PolarHBondContact O-N 2.94Å; W101-R104 PolarHBondContact O-NH1 2.84Å |
| 102 | E | 98.1 | Very high | 96.4 | Very high | 107 Ų | 107 | 79 Ų | 79 | 50% | 0.5 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.5 | -37.1 | 179.6 | -73.8 | 175.6 | 173.1 | 0 | 0 | 111.4 | K98 E99 | K98-E102 WeakPolarHBondContact CE-OE1 3.34Å; K98-E102 IonicContact NZ-OE1 2.74Å; K98-E102 WeakPolarHBondContact O-CG 3.38Å; K98-E102 PolarHBondContact O-N 2.94Å; E99-E102 PolarHBondContact O-N 3.1Å |
| 103 | R | 98.1 | Very high | 97 | Very high | 52 Ų | 52 | 81.5 Ų | 81.5 | 20% | 0.196 | 37% | 0.365 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.5 | 11.7 | -179 | -62.8 | -177.6 | 66.6 | 179 | -1 | 115 | E78 E99 R100 W101 K105 E106 F109 | E78-R103 IonicContact OE1-CZ 3.49Å; E78-R103 IonicContact OE1-NH1 2.94Å; E78-R103 PolarHBondContact OE1-NH1 3.29Å; E78-R103 IonicContact OE1-NH2 3.97Å; E78-R103 PolarHBondContact OE1-NH2 3.32Å; E99-R103 PolarHBondContact O-N 2.87Å; E99-R103 WeakPolarHBondContact OE1-CD 3.19Å; E99-R103 IonicContact OE1-NH1 3.49Å; R100-R103 CarbonylContact O-C 3.49Å; R100-R103 PolarHBondContact O-N 2.84Å; W101-R103 VanDerWaalsContact C-N 3.26Å; W101-R103 PolarHBondContact O-N 2.86Å; R103-K105 PolarHBondContact O-N 2.93Å; R103-E106 IonicContact CZ-OE1 3.89Å; R103-E106 IonicContact CZ-OE2 3.53Å; R103-E106 IonicContact NE-OE1 2.77Å; R103-E106 PolarHBondContact NE-OE1 3.09Å; R103-E106 IonicContact NE-OE2 2.78Å; R103-E106 PolarHBondContact NE-OE2 3.13Å; R103-E106 IonicContact NH2-OE1 3.75Å; R103-E106 PolarHBondContact NH2-OE1 2.48Å; R103-E106 IonicContact NH2-OE2 3.46Å; R103-E106 PolarHBondContact NH2-OE2 3.15Å; R103-E106 WeakPolarHBondContact O-CB 3.32Å; R103-E106 PolarHBondContact O-N 3.36Å; R103-F109 HydrophobicContact CB-CB 4.06Å; R103-F109 HydrophobicContact CB-CD1 3.89Å; R103-F109 HydrophobicContact CB-CD2 4.1Å; R103-F109 HydrophobicContact CB-CE1 4.42Å; R103-F109 HydrophobicContact CB-CG 3.72Å |
| 104 | R | 97.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 81.4 Ų | 81.4 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -11.1 | -176.8 | 73.2 | -167.5 | 178.4 | -69.4 | 0.4 | 116.3 | R100 W101 E106 | R100-R104 WeakPolarHBondContact O-CA 3.33Å; R100-R104 PolarHBondContact O-N 3.01Å; W101-R104 WeakPolarHBondContact O-CB 3.39Å; W101-R104 WeakPolarHBondContact O-CD 3.43Å; W101-R104 WeakPolarHBondContact O-CG 3.41Å; W101-R104 PolarHBondContact O-N 2.94Å; W101-R104 PolarHBondContact O-NH1 2.84Å; R104-E106 VanDerWaalsContact C-N 3.35Å |
| 105 | K | 98.3 | Very high | 97.5 | Very high | 183 Ų | 183 | 80.1 Ų | 80.1 | 80% | 0.796 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -16.7 | 174.1 | -62.5 | -56.5 | -174 | -177.1 | 0 | 112.6 | R103 | R103-K105 PolarHBondContact O-N 2.93Š|
| 106 | E | 98.4 | Very high | 97.7 | Very high | 84 Ų | 84 | 82.9 Ų | 82.9 | 39% | 0.393 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -82.2 | 120.8 | 169.6 | -62.6 | 171.6 | -121.4 | 0 | 0 | 108.8 | R103 R104 A108 F109 D110 | R103-E106 IonicContact CZ-OE1 3.89Å; R103-E106 IonicContact CZ-OE2 3.53Å; R103-E106 IonicContact NE-OE1 2.77Å; R103-E106 PolarHBondContact NE-OE1 3.09Å; R103-E106 IonicContact NE-OE2 2.78Å; R103-E106 PolarHBondContact NE-OE2 3.13Å; R103-E106 IonicContact NH2-OE1 3.75Å; R103-E106 PolarHBondContact NH2-OE1 2.48Å; R103-E106 IonicContact NH2-OE2 3.46Å; R103-E106 PolarHBondContact NH2-OE2 3.15Å; R103-E106 WeakPolarHBondContact O-CB 3.32Å; R103-E106 PolarHBondContact O-N 3.36Å; R104-E106 VanDerWaalsContact C-N 3.35Å; E106-A108 PolarHBondContact O-N 3.29Å; E106-A108 VanDerWaalsContact O-N 3.09Å; E106-F109 HydrophobicContact CB-CB 4.44Å; E106-F109 HydrophobicContact CB-CD2 3.93Å; E106-F109 PolarHBondContact O-N 3.45Å; E106-D110 PolarHBondContact O-N 3.15Å |
| 107 | R | 98.1 | Very high | 97.7 | Very high | 187 Ų | 187 | 83.1 Ų | 83.1 | 71% | 0.706 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -53.3 | -35.4 | -177.4 | 178 | -178.3 | 163.1 | 101 | -3.3 | 113 | Q111 | R107-Q111 WeakPolarHBondContact O-CB 3.3Å; R107-Q111 VanDerWaalsContact O-CG 3.29Å; R107-Q111 WeakPolarHBondContact O-CG 3.17Å; R107-Q111 PolarHBondContact O-N 2.84Å; R107-Q111 VanDerWaalsContact O-N 3.13Å |
| 108 | A | 97.9 | Very high | 97.6 | Very high | 44 Ų | 44 | 80 Ų | 80 | 36% | 0.364 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -64.4 | -41.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | V77 E106 Q111 W112 | V77-A108 HydrophobicContact CG1-CB 3.68Å; E106-A108 PolarHBondContact O-N 3.29Å; E106-A108 VanDerWaalsContact O-N 3.09Å; A108-Q111 PolarHBondContact O-N 3.45Å; A108-W112 PolarHBondContact O-N 3.16Å |
| 109 | F | 98.4 | Very high | 97.7 | Very high | 1 Ų | 1 | 75.6 Ų | 75.6 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -75.3 | -34.9 | 177.7 | -76.2 | -94.9 | 0 | 0 | 0 | 112.5 | I74 V77 E78 E99 R100 R103 E106 Q111 W112 | I74-F109 HydrophobicContact CG1-CE1 4.38Å; I74-F109 HydrophobicContact CG2-CE1 4.16Å; I74-F109 HydrophobicContact CG2-CZ 4.05Å; V77-F109 HydrophobicContact CB-CE2 4.48Å; V77-F109 HydrophobicContact CB-CZ 4.28Å; V77-F109 HydrophobicContact CG1-CD1 4.23Å; V77-F109 HydrophobicContact CG1-CD2 3.73Å; V77-F109 HydrophobicContact CG1-CE1 4.18Å; V77-F109 HydrophobicContact CG1-CE2 3.64Å; V77-F109 HydrophobicContact CG1-CG 4Å; V77-F109 HydrophobicContact CG1-CZ 3.86Å; E78-F109 HydrophobicContact CG-CE2 4.09Å; E78-F109 HydrophobicContact CG-CZ 3.96Å; E99-F109 HydrophobicContact CG-CE1 4.49Å; R100-F109 VanDerWaalsContact CG-O 3.24Å; R100-F109 WeakPolarHBondContact CG-O 3.14Å; R103-F109 HydrophobicContact CB-CB 4.06Å; R103-F109 HydrophobicContact CB-CD1 3.89Å; R103-F109 HydrophobicContact CB-CD2 4.1Å; R103-F109 HydrophobicContact CB-CE1 4.42Å; R103-F109 HydrophobicContact CB-CG 3.72Å; E106-F109 HydrophobicContact CB-CB 4.44Å; E106-F109 HydrophobicContact CB-CD2 3.93Å; E106-F109 PolarHBondContact O-N 3.45Å; F109-Q111 PolarHBondContact O-N 3.23Å; F109-W112 AromaticContact CD1-CE3 3.92Å; F109-W112 HydrophobicContact CD1-CE3 3.92Å; F109-W112 HydrophobicContact CD1-CZ3 4.31Å; F109-W112 HydrophobicContact CE1-CE3 4.26Å; F109-W112 HydrophobicContact CE1-CZ3 4.34Å; F109-W112 WeakPolarHBondContact O-CB 3.4Å; F109-W112 PolarHBondContact O-N 3.25Å; F109-W112 VanDerWaalsContact O-N 3.16Å |
| 110 | D | 98 | Very high | 97.6 | Very high | 116 Ų | 116 | 74 Ų | 74 | 62% | 0.62 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -60.6 | -32.9 | 172.2 | -172.5 | 63.9 | 0 | 0 | 0 | 112 | E106 | E106-D110 PolarHBondContact O-N 3.15Å |
| 111 | Q | 97.9 | Very high | 97.6 | Very high | 98 Ų | 98 | 72.6 Ų | 72.6 | 46% | 0.458 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -6.3 | 177.5 | -69.2 | -176 | -21.9 | 0 | 0 | 114.3 | R107 A108 F109 V113 | R107-Q111 WeakPolarHBondContact O-CB 3.3Å; R107-Q111 VanDerWaalsContact O-CG 3.29Å; R107-Q111 WeakPolarHBondContact O-CG 3.17Å; R107-Q111 PolarHBondContact O-N 2.84Å; R107-Q111 VanDerWaalsContact O-N 3.13Å; A108-Q111 PolarHBondContact O-N 3.45Å; F109-Q111 PolarHBondContact O-N 3.23Å; Q111-V113 PolarHBondContact O-N 3.34Å |
| 112 | W | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.008 | 30% | 0.304 | C | S | . | . | trans | -73.5 | 118 | 179.9 | 178.2 | 22.4 | 0 | 0 | 0 | 110.5 | I74 V77 M83 S85 A96 R100 A108 F109 I114 | I74-W112 HydrophobicContact CD1-CH2 4.42Å; I74-W112 HydrophobicContact CG1-CH2 3.74Å; I74-W112 HydrophobicContact CG1-CZ3 3.84Å; V77-W112 HydrophobicContact CG2-CB 3.99Å; V77-W112 HydrophobicContact CG2-CD2 4Å; V77-W112 HydrophobicContact CG2-CE3 4.46Å; V77-W112 HydrophobicContact CG2-CG 3.77Å; M83-W112 HydrophobicContact CB-CG 4.39Å; S85-W112 PolarHBondContact OG-NE1 2.91Å; A96-W112 HydrophobicContact CB-CH2 3.88Å; A96-W112 HydrophobicContact CB-CZ2 4.24Å; R100-W112 HydrophobicContact CB-CE3 3.74Å; R100-W112 HydrophobicContact CB-CZ3 3.91Å; R100-W112 WeakPolarHBondContact CD-O 3Å; R100-W112 HydrophobicContact CG-CE3 3.95Å; R100-W112 PolarHBondContact NH1-O 3.13Å; A108-W112 PolarHBondContact O-N 3.16Å; F109-W112 AromaticContact CD1-CE3 3.92Å; F109-W112 HydrophobicContact CD1-CE3 3.92Å; F109-W112 HydrophobicContact CD1-CZ3 4.31Å; F109-W112 HydrophobicContact CE1-CE3 4.26Å; F109-W112 HydrophobicContact CE1-CZ3 4.34Å; F109-W112 WeakPolarHBondContact O-CB 3.4Å; F109-W112 PolarHBondContact O-N 3.25Å; F109-W112 VanDerWaalsContact O-N 3.16Å; W112-I114 HydrophobicContact CD2-CD1 3.74Å; W112-I114 HydrophobicContact CD2-CG1 3.82Å; W112-I114 VanDerWaalsContact CE2-CG1 3.44Å; W112-I114 HydrophobicContact CE3-CD1 3.82Å; W112-I114 HydrophobicContact CE3-CG1 4.42Å; W112-I114 HydrophobicContact CG-CG1 4.17Å; W112-I114 HydrophobicContact CH2-CD1 3.59Å; W112-I114 HydrophobicContact CH2-CG1 4.34Å; W112-I114 HydrophobicContact CZ2-CD1 3.5Å; W112-I114 VanDerWaalsContact CZ2-CD1 3.5Å; W112-I114 HydrophobicContact CZ2-CG1 3.73Å; W112-I114 HydrophobicContact CZ3-CD1 3.74Å | ||
| 113 | V | 98.4 | Very high | 97.4 | Very high | 59 Ų | 59 | 62.5 Ų | 62.5 | 36% | 0.358 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 129.1 | 178.1 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | M83 T84 S85 Q111 E115 | M83-V113 PolarHBondContact O-N 3.26Å; M83-V113 VanDerWaalsContact O-N 3.15Å; T84-V113 CarbonylContact C-O 3.19Å; T84-V113 WeakPolarHBondContact CA-O 3.41Å; T84-V113 HydrophobicContact CG2-CB 4.16Å; T84-V113 HydrophobicContact CG2-CG1 3.98Å; S85-V113 PolarHBondContact N-O 3.03Å; Q111-V113 PolarHBondContact O-N 3.34Å; V113-E115 HydrophobicContact CG1-CG 3.93Å |
| 114 | I | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 67.8 Ų | 67.8 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 119.5 | 178.1 | -54.3 | 173.1 | 0 | 0 | 0 | 107.6 | S85 L93 A96 L97 R100 W112 | S85-I114 VanDerWaalsContact O-CA 3.29Å; S85-I114 WeakPolarHBondContact O-CA 2.84Å; L93-I114 HydrophobicContact CD2-CG2 3.79Å; A96-I114 HydrophobicContact CB-CD1 4.02Å; A96-I114 HydrophobicContact CB-CG2 4.5Å; L97-I114 HydrophobicContact CD2-CB 3.94Å; L97-I114 HydrophobicContact CD2-CD1 4.26Å; L97-I114 HydrophobicContact CD2-CG2 4Å; L97-I114 HydrophobicContact CG-CG2 4.09Å; R100-I114 HydrophobicContact CB-CD1 3.86Å; R100-I114 HydrophobicContact CG-CD1 4.39Å; W112-I114 HydrophobicContact CD2-CD1 3.74Å; W112-I114 HydrophobicContact CD2-CG1 3.82Å; W112-I114 VanDerWaalsContact CE2-CG1 3.44Å; W112-I114 HydrophobicContact CE3-CD1 3.82Å; W112-I114 HydrophobicContact CE3-CG1 4.42Å; W112-I114 HydrophobicContact CG-CG1 4.17Å; W112-I114 HydrophobicContact CH2-CD1 3.59Å; W112-I114 HydrophobicContact CH2-CG1 4.34Å; W112-I114 HydrophobicContact CZ2-CD1 3.5Å; W112-I114 VanDerWaalsContact CZ2-CD1 3.5Å; W112-I114 HydrophobicContact CZ2-CG1 3.73Å; W112-I114 HydrophobicContact CZ3-CD1 3.74Å |
| 115 | E | 96.5 | Very high | 97.2 | Very high | 112 Ų | 112 | 66.6 Ų | 66.6 | 52% | 0.523 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 162.6 | -177.1 | -58.9 | -61.4 | 157.1 | 0 | 0 | 111 | S85 V86 L93 V113 | S85-E115 PolarHBondContact O-N 3.41Å; S85-E115 VanDerWaalsContact O-N 3.07Å; V86-E115 VanDerWaalsContact CA-O 3.25Å; V86-E115 WeakPolarHBondContact CA-O 3.41Å; V86-E115 HydrophobicContact CG1-CB 4.22Å; L93-E115 WeakPolarHBondContact CD1-O 3.29Å; V113-E115 HydrophobicContact CG1-CG 3.93Å |
| 116 | E | 96.4 | Very high | 97.1 | Very high | 113 Ų | 113 | 58.5 Ų | 58.5 | 53% | 0.528 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 134.4 | 170.1 | -170.3 | -175.4 | 150.3 | 0 | 0 | 109.9 | D87 L93 | D87-E116 WeakPolarHBondContact O-CA 3.29Å; L93-E116 HydrophobicContact CD1-CB 4.18Å |
| 117 | A | 95.9 | Very high | 96.9 | Very high | 5 Ų | 5 | 63 Ų | 63 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | trans | -155.1 | 155.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V86 D87 A88 L122 D125 V126 | V86-A117 HydrophobicContact CB-CB 3.65Å; V86-A117 HydrophobicContact CG1-CB 3.94Å; V86-A117 HydrophobicContact CG2-CB 3.89Å; D87-A117 CarbonylContact C-O 3.57Å; D87-A117 PolarHBondContact O-N 3.41Å; A88-A117 WeakPolarHBondContact CA-O 3.25Å; A88-A117 PolarHBondContact N-O 2.75Å; A117-L122 HydrophobicContact CB-CD1 3.83Å; A117-D125 HydrophobicContact CB-CB 3.56Å; A117-V126 HydrophobicContact CB-CG2 3.77Å | ||
| 118 | N | 94.9 | Very high | 96.6 | Very high | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | trans | -119 | 136.3 | 177.8 | -177 | -36.9 | 0 | 0 | 0 | 110.1 | S16 V17 L19 L120 T121 L122 D125 | S16-N118 PolarHBondContact OG-ND2 2.74Å; V17-N118 PolarHBondContact O-ND2 2.82Å; L19-N118 VanDerWaalsContact CB-ND2 3.34Å; L19-N118 WeakPolarHBondContact CB-ND2 3.29Å; N118-L120 PolarHBondContact O-N 3.34Å; N118-L120 VanDerWaalsContact O-N 3.08Å; N118-L120 PolarHBondContact OD1-N 3.02Å; N118-T121 CarbonylContact O-C 3.6Å; N118-T121 PolarHBondContact O-N 3.21Å; N118-T121 PolarHBondContact O-OG1 3.14Å; N118-L122 VanDerWaalsContact O-CA 3.3Å; N118-L122 WeakPolarHBondContact O-CA 3.06Å; N118-L122 WeakPolarHBondContact O-CB 3.35Å; N118-L122 PolarHBondContact O-N 3.49Å; N118-D125 PolarHBondContact N-OD2 3.23Å | ||
| 119 | W | 98.1 | Very high | 96.2 | Very high | 25 Ų | 25 | 57.1 Ų | 57.1 | 10% | 0.095 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -29.6 | -178.4 | -56.3 | -31 | 0 | 0 | 0 | 113.7 | L19 V65 A66 T121 S142 F143 L146 A159 N162 I163 | L19-W119 HydrophobicContact CD1-CE3 4.18Å; L19-W119 HydrophobicContact CD1-CZ3 4.43Å; V65-W119 PolarHBondContact O-NE1 3.38Å; A66-W119 HydrophobicContact CB-CZ2 4.3Å; W119-T121 VanDerWaalsContact C-N 3.3Å; W119-T121 PolarHBondContact O-N 3.03Å; W119-S142 WeakPolarHBondContact CH2-O 3.38Å; W119-F143 AromaticContact CE3-CD2 3.99Å; W119-F143 HydrophobicContact CE3-CD2 3.99Å; W119-F143 HydrophobicContact CE3-CE2 4.27Å; W119-F143 AromaticContact CZ3-CD2 4Å; W119-F143 HydrophobicContact CZ3-CD2 4Å; W119-L146 HydrophobicContact CE3-CB 4.36Å; W119-L146 HydrophobicContact CZ3-CB 4.18Å; W119-A159 HydrophobicContact CB-CB 3.7Å; W119-N162 VanDerWaalsContact O-CB 3.28Å; W119-N162 WeakPolarHBondContact O-CB 3.3Å; W119-N162 PolarHBondContact O-ND2 2.98Å; W119-I163 HydrophobicContact CB-CD1 4.35Å; W119-I163 HydrophobicContact CD2-CD1 4.3Å; W119-I163 HydrophobicContact CG-CD1 3.97Å; W119-I163 HydrophobicContact CG-CG1 4.46Å |
| 120 | L | 96.4 | Very high | 95.8 | Very high | 25 Ų | 25 | 60.5 Ų | 60.5 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.2 | -23.3 | 178.8 | -58.8 | 178.4 | 0 | 0 | 0 | 113.1 | N118 L146 D155 L158 A159 N162 | N118-L120 PolarHBondContact O-N 3.34Å; N118-L120 VanDerWaalsContact O-N 3.08Å; N118-L120 PolarHBondContact OD1-N 3.02Å; L120-L146 HydrophobicContact CD2-CD2 4.5Å; L120-D155 HydrophobicContact CD2-CB 3.97Å; L120-D155 WeakPolarHBondContact CD2-O 3.26Å; L120-L158 HydrophobicContact CD2-CD2 4.35Å; L120-A159 HydrophobicContact CD2-CB 4.15Å; L120-N162 VanDerWaalsContact C-ND2 3.31Å; L120-N162 PolarHBondContact O-ND2 3.13Å |
| 121 | T | 96.9 | Very high | 95.4 | Very high | 42 Ų | 42 | 61.6 Ų | 61.6 | 26% | 0.258 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -123.1 | 11.2 | -178.9 | 50 | 0 | 0 | 0 | 0 | 113 | N118 W119 T123 E124 D125 | N118-T121 CarbonylContact O-C 3.6Å; N118-T121 PolarHBondContact O-N 3.21Å; N118-T121 PolarHBondContact O-OG1 3.14Å; W119-T121 VanDerWaalsContact C-N 3.3Å; W119-T121 PolarHBondContact O-N 3.03Å; T121-T123 PolarHBondContact O-N 3Å; T121-E124 WeakPolarHBondContact O-CA 3.22Å; T121-E124 WeakPolarHBondContact O-CB 3.49Å; T121-E124 PolarHBondContact O-N 3.25Å; T121-D125 PolarHBondContact O-N 3.05Å; T121-D125 VanDerWaalsContact O-N 3.11Å; T121-D125 PolarHBondContact OG1-OD2 2.68Å |
| 122 | L | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -53.7 | -32.1 | -168.5 | -166.1 | 68.9 | 0 | 0 | 0 | 113.9 | V65 V86 A117 N118 E124 D125 V126 N162 I163 M166 | V65-L122 HydrophobicContact CG1-CD1 4.46Å; V65-L122 HydrophobicContact CG1-CD2 3.94Å; V86-L122 HydrophobicContact CG2-CD1 4.06Å; A117-L122 HydrophobicContact CB-CD1 3.83Å; N118-L122 VanDerWaalsContact O-CA 3.3Å; N118-L122 WeakPolarHBondContact O-CA 3.06Å; N118-L122 WeakPolarHBondContact O-CB 3.35Å; N118-L122 PolarHBondContact O-N 3.49Å; L122-E124 VanDerWaalsContact C-N 3.26Å; L122-E124 PolarHBondContact O-N 2.96Å; L122-D125 PolarHBondContact O-N 3Å; L122-V126 HydrophobicContact CD1-CG2 3.74Å; L122-V126 HydrophobicContact CG-CG2 4.37Å; L122-V126 PolarHBondContact O-N 3.09Å; L122-N162 HydrophobicContact CB-CB 4.11Å; L122-I163 HydrophobicContact CD2-CG1 3.91Å; L122-M166 HydrophobicContact CB-CE 4.44Å; L122-M166 HydrophobicContact CD2-CE 4.41Å; L122-M166 HydrophobicContact CD2-CG 3.8Å; L122-M166 HydrophobicContact CG-CE 4.02Å; L122-M166 HydrophobicContact CG-CG 4.34Å; L122-M166 WeakPolarHBondContact O-CE 3.37Å |
| 123 | T | 95.8 | Very high | 95.4 | Very high | 62 Ų | 62 | 57.1 Ų | 57.1 | 38% | 0.38 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.4 | -24.3 | 178 | 50.4 | 0 | 0 | 0 | 0 | 114.3 | T121 N162 S165 M166 | T121-T123 PolarHBondContact O-N 3Å; T123-N162 HydrophobicContact CG2-CB 4.38Å; T123-S165 WeakPolarHBondContact CG2-OG 3.43Å; T123-M166 VanDerWaalsContact CA-CE 3.48Å; T123-M166 HydrophobicContact CG2-CE 4Å |
| 124 | E | 95.7 | Very high | 95.4 | Very high | 163 Ų | 163 | 54.9 Ų | 54.9 | 76% | 0.762 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -93.1 | -36.1 | 176.1 | -59.6 | 175.1 | -167.4 | 0 | 0 | 110.4 | T121 L122 | T121-E124 WeakPolarHBondContact O-CA 3.22Å; T121-E124 WeakPolarHBondContact O-CB 3.49Å; T121-E124 PolarHBondContact O-N 3.25Å; L122-E124 VanDerWaalsContact C-N 3.26Å; L122-E124 PolarHBondContact O-N 2.96Å |
| 125 | D | 94.9 | Very high | 95.4 | Very high | 68 Ų | 68 | 54.6 Ų | 54.6 | 36% | 0.364 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -75.6 | -34.5 | -175.9 | -57.1 | -24.2 | 0 | 0 | 0 | 113.1 | A117 N118 T121 L122 | A117-D125 HydrophobicContact CB-CB 3.56Å; N118-D125 PolarHBondContact N-OD2 3.23Å; T121-D125 PolarHBondContact O-N 3.05Å; T121-D125 VanDerWaalsContact O-N 3.11Å; T121-D125 PolarHBondContact OG1-OD2 2.68Å; L122-D125 PolarHBondContact O-N 3Å |
| 126 | V | 96.3 | Very high | 95.5 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 8% | 0.079 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -119 | 120.6 | -171.5 | -175.4 | 0 | 0 | 0 | 0 | 111.9 | L63 V86 A117 L122 K128 F133 M166 | L63-V126 HydrophobicContact CD1-CG1 4.17Å; L63-V126 HydrophobicContact CD2-CG1 4.47Å; V86-V126 HydrophobicContact CG1-CG2 3.82Å; V86-V126 HydrophobicContact CG2-CG2 4.38Å; A117-V126 HydrophobicContact CB-CG2 3.77Å; L122-V126 HydrophobicContact CD1-CG2 3.74Å; L122-V126 HydrophobicContact CG-CG2 4.37Å; L122-V126 PolarHBondContact O-N 3.09Å; V126-K128 PolarHBondContact O-N 2.8Å; V126-F133 HydrophobicContact CG1-CE2 4.27Å; V126-F133 HydrophobicContact CG1-CZ 4.35Å; V126-M166 HydrophobicContact CB-CE 4.45Å |
| 127 | Q | 93.9 | Very high | 95.6 | Very high | 180 Ų | 180 | 44 Ų | 44 | 84% | 0.841 | 24% | 0.242 | S | C | * | . | trans | -72.5 | 121.6 | 174.4 | -170.5 | 175.8 | 5.8 | 0 | 0 | 111.6 | ||||
| 128 | K | 91.6 | Very high | 95.8 | Very high | 76 Ų | 76 | 43.7 Ų | 43.7 | 33% | 0.33 | 24% | 0.24 | S | C | . | . | trans | -72.3 | 130.9 | 176.8 | -65.5 | 178.5 | -172.3 | -176 | 0 | 111.3 | V126 G130 S165 M166 | V126-K128 PolarHBondContact O-N 2.8Å; K128-G130 PolarHBondContact O-N 3.49Å; K128-S165 WeakPolarHBondContact CE-O 3.41Å; K128-S165 PolarHBondContact NZ-O 3.42Å; K128-S165 PolarHBondContact NZ-OG 2.83Å; K128-M166 HydrophobicContact CD-SD 4.08Å; K128-M166 VanDerWaalsContact CE-CE 3.42Å; K128-M166 WeakPolarHBondContact CE-SD 3.43Å; K128-M166 HydrophobicContact CG-CE 4.25Å; K128-M166 HydrophobicContact CG-SD 3.57Å; K128-M166 VanDerWaalsContact CG-SD 3.57Å | ||
| 129 | P | 89.8 | Confident | 95.9 | Very high | 31 Ų | 31 | 43.9 Ų | 43.9 | 20% | 0.201 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -75.4 | 106.1 | 170.2 | 28.7 | -31.2 | 0 | 0 | 0 | 110 | N131 G132 F133 | P129-N131 PolarHBondContact O-N 2.96Å; P129-N131 VanDerWaalsContact O-N 3.15Å; P129-G132 PolarHBondContact O-N 3.28Å; P129-F133 VanDerWaalsContact CD-CE2 3.41Å; P129-F133 HydrophobicContact CG-CD1 4.01Å; P129-F133 HydrophobicContact CG-CD2 4.21Å; P129-F133 HydrophobicContact CG-CE1 3.96Å; P129-F133 HydrophobicContact CG-CE2 4.16Å; P129-F133 HydrophobicContact CG-CG 4.14Å; P129-F133 HydrophobicContact CG-CZ 4.03Å |
| 130 | G | 90.3 | Very high | 95.6 | Very high | 71 Ų | 71 | 42.9 Ų | 42.9 | 73% | 0.732 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | -118 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | K128 G132 | K128-G130 PolarHBondContact O-N 3.49Å; G130-G132 VanDerWaalsContact C-N 3.33Å |
| 131 | N | 90.3 | Very high | 95.6 | Very high | 139 Ų | 139 | 41.9 Ų | 41.9 | 74% | 0.743 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.5 | 8.3 | -180 | -64.1 | -17.2 | 0 | 0 | 0 | 114.1 | P129 R168 | P129-N131 PolarHBondContact O-N 2.96Å; P129-N131 VanDerWaalsContact O-N 3.15Å; N131-R168 WeakPolarHBondContact O-CA 3.22Å; N131-R168 WeakPolarHBondContact O-CB 3.4Å |
| 132 | G | 96.8 | Very high | 95.6 | Very high | 1 Ų | 1 | 41 Ų | 41 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | trans | 124.8 | -178.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | P129 G130 M166 | P129-G132 PolarHBondContact O-N 3.28Å; G130-G132 VanDerWaalsContact C-N 3.33Å; G132-M166 CarbonylContact C-O 3.49Å; G132-M166 WeakPolarHBondContact CA-O 3.43Å | ||
| 133 | F | 98.7 | Very high | 95.7 | Very high | 6 Ų | 6 | 41 Ų | 41 | 3% | 0.026 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 149.2 | 178.5 | -66.6 | -94.5 | 0 | 0 | 0 | 111.7 | R61 L63 T84 V126 P129 A135 V136 M166 R168 | R61-F133 HydrophobicContact CB-CD1 4.29Å; L63-F133 HydrophobicContact CB-CB 4.27Å; L63-F133 HydrophobicContact CB-CD1 3.72Å; L63-F133 HydrophobicContact CB-CD2 3.7Å; L63-F133 HydrophobicContact CB-CE1 3.89Å; L63-F133 HydrophobicContact CB-CE2 3.87Å; L63-F133 HydrophobicContact CB-CG 3.62Å; L63-F133 HydrophobicContact CB-CZ 3.96Å; L63-F133 HydrophobicContact CD1-CE2 4.34Å; L63-F133 HydrophobicContact CD1-CZ 4.13Å; L63-F133 HydrophobicContact CD2-CD2 4.03Å; L63-F133 HydrophobicContact CD2-CE2 3.87Å; L63-F133 HydrophobicContact CD2-CZ 4.47Å; L63-F133 HydrophobicContact CG-CD2 4.43Å; L63-F133 HydrophobicContact CG-CE2 4.25Å; L63-F133 HydrophobicContact CG-CZ 4.41Å; T84-F133 HydrophobicContact CG2-CZ 4.39Å; V126-F133 HydrophobicContact CG1-CE2 4.27Å; V126-F133 HydrophobicContact CG1-CZ 4.35Å; P129-F133 VanDerWaalsContact CD-CE2 3.41Å; P129-F133 HydrophobicContact CG-CD1 4.01Å; P129-F133 HydrophobicContact CG-CD2 4.21Å; P129-F133 HydrophobicContact CG-CE1 3.96Å; P129-F133 HydrophobicContact CG-CE2 4.16Å; P129-F133 HydrophobicContact CG-CG 4.14Å; P129-F133 HydrophobicContact CG-CZ 4.03Å; F133-A135 VanDerWaalsContact C-N 3.31Å; F133-A135 WeakPolarHBondContact CB-O 3.22Å; F133-V136 HydrophobicContact CB-CG2 4.22Å; F133-M166 HydrophobicContact CD2-CB 4.33Å; F133-M166 PolarHBondContact N-O 3.35Å; F133-R168 WeakPolarHBondContact O-CG 3.29Å; F133-R168 PolarHBondContact O-N 3Å |
| 134 | D | 98.6 | Very high | 95.7 | Very high | 11 Ų | 11 | 38.1 Ų | 38.1 | 6% | 0.059 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | -36.8 | 176.5 | -57.3 | -55.5 | 0 | 0 | 0 | 110.9 | V59 Q60 R61 R168 G171 I172 | V59-D134 HydrophobicContact CB-CB 4.18Å; V59-D134 HydrophobicContact CG1-CB 3.95Å; V59-D134 HydrophobicContact CG2-CB 4.12Å; Q60-D134 PolarHBondContact N-OD2 3.15Å; Q60-D134 VanDerWaalsContact N-OD2 3.13Å; R61-D134 PolarHBondContact N-OD2 3.24Å; R61-D134 IonicContact NE-OD2 3.9Å; R61-D134 WeakPolarHBondContact O-CB 3.49Å; R61-D134 PolarHBondContact O-N 2.86Å; D134-R168 IonicContact OD1-CZ 3.34Å; D134-R168 IonicContact OD1-NE 2.67Å; D134-R168 PolarHBondContact OD1-NE 3.36Å; D134-R168 IonicContact OD1-NH2 3.12Å; D134-R168 PolarHBondContact OD1-NH2 3.23Å; D134-R168 VanDerWaalsContact OD1-NH2 3.12Å; D134-G171 CarbonylContact O-C 3.59Å; D134-G171 WeakPolarHBondContact O-CA 3.29Å; D134-I172 PolarHBondContact O-N 3.07Å |
| 135 | A | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 150.3 | 168.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L54 V59 R61 I62 L63 F133 I172 | L54-A135 HydrophobicContact CD2-CB 3.64Å; V59-A135 HydrophobicContact CG1-CB 3.84Å; V59-A135 HydrophobicContact CG2-CB 3.96Å; R61-A135 PolarHBondContact O-N 2.85Å; I62-A135 VanDerWaalsContact CA-O 3.31Å; I62-A135 WeakPolarHBondContact CA-O 3.37Å; I62-A135 HydrophobicContact CG1-CB 4.31Å; I62-A135 HydrophobicContact CG2-CB 4.44Å; L63-A135 PolarHBondContact N-O 3.31Å; F133-A135 VanDerWaalsContact C-N 3.31Å; F133-A135 WeakPolarHBondContact CB-O 3.22Å; A135-I172 CarbonylContact C-O 3.56Å; A135-I172 WeakPolarHBondContact CA-O 3.48Å; A135-I172 HydrophobicContact CB-CD1 4.43Å; A135-I172 HydrophobicContact CB-CG1 3.73Å |
| 136 | V | 98.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 137 | 166.5 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | L63 V65 F133 I163 M166 V167 I172 L173 I174 | L63-V136 HydrophobicContact CB-CG1 4.38Å; L63-V136 HydrophobicContact CB-CG2 4.23Å; L63-V136 HydrophobicContact CD2-CG1 4.36Å; L63-V136 HydrophobicContact CG-CG1 4.47Å; L63-V136 CarbonylContact O-C 3.49Å; L63-V136 VanDerWaalsContact O-CA 3.26Å; L63-V136 WeakPolarHBondContact O-CA 3.21Å; V65-V136 HydrophobicContact CG1-CG1 3.81Å; V65-V136 HydrophobicContact CG2-CG1 4.43Å; F133-V136 HydrophobicContact CB-CG2 4.22Å; V136-I163 HydrophobicContact CG1-CG2 3.93Å; V136-M166 HydrophobicContact CG2-CB 3.85Å; V136-V167 HydrophobicContact CB-CG2 3.95Å; V136-V167 HydrophobicContact CG2-CB 4.38Å; V136-V167 HydrophobicContact CG2-CG2 3.54Å; V136-I172 PolarHBondContact N-O 3.32Å; V136-L173 HydrophobicContact CB-CD1 3.94Å; V136-L173 HydrophobicContact CG1-CD1 3.97Å; V136-L173 CarbonylContact O-C 3.58Å; V136-L173 VanDerWaalsContact O-CA 3.32Å; V136-L173 WeakPolarHBondContact O-CA 3.28Å; V136-L173 WeakPolarHBondContact O-CD1 3.41Å; V136-I174 PolarHBondContact O-N 3.29Å |
| 137 | I | 98.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 141.8 | 179.5 | 68.5 | 175.2 | 0 | 0 | 0 | 111.3 | I62 L63 D64 V65 L76 I174 | I62-I137 HydrophobicContact CG2-CD1 4.33Å; I62-I137 HydrophobicContact CG2-CG1 4.23Å; I62-I137 HydrophobicContact CG2-CG2 4.11Å; L63-I137 PolarHBondContact O-N 2.92Å; D64-I137 HydrophobicContact CB-CD1 4.04Å; D64-I137 HydrophobicContact CB-CG1 3.79Å; V65-I137 WeakPolarHBondContact CG2-O 3.44Å; V65-I137 PolarHBondContact N-O 3.24Å; L76-I137 HydrophobicContact CD1-CD1 3.65Å; I137-I174 CarbonylContact C-O 3.56Å; I137-I174 VanDerWaalsContact CA-O 3.29Å; I137-I174 WeakPolarHBondContact CA-O 3.25Å; I137-I174 HydrophobicContact CG2-CB 4.19Å; I137-I174 HydrophobicContact CG2-CD1 4.24Å; I137-I174 HydrophobicContact CG2-CG1 4.39Å |
| 138 | C | 98.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 85.1 | 173.4 | -174.9 | 0 | 0 | 0 | 0 | 107.9 | V65 I174 I175 D176 | V65-C138 HydrophobicContact CG2-CB 3.61Å; C138-I174 PolarHBondContact N-O 2.76Å; C138-I175 HydrophobicContact CB-CB 4.19Å; C138-I175 HydrophobicContact CB-CD1 4Å; C138-I175 HydrophobicContact CB-CG1 3.84Å; C138-I175 VanDerWaalsContact O-CA 3.29Å; C138-I175 WeakPolarHBondContact O-CA 3.36Å; C138-D176 PolarHBondContact O-N 3.16Å; C138-D176 VanDerWaalsContact O-N 3.1Å |
| 139 | L | 97.2 | Very high | 95.3 | Very high | 7 Ų | 7 | 22.3 Ų | 22.3 | 4% | 0.037 | 14% | 0.136 | C | C | . | . | trans | -107.2 | 168.5 | -172.5 | -61.1 | -179 | 0 | 0 | 0 | 112 | S142 I174 D176 Y196 | L139-S142 PolarHBondContact O-OG 3.44Å; L139-I174 HydrophobicContact CD2-CG2 3.85Å; L139-D176 VanDerWaalsContact CA-OD1 3.25Å; L139-D176 WeakPolarHBondContact CA-OD1 3.34Å; L139-D176 HydrophobicContact CD2-CB 4.32Å; L139-Y196 HydrophobicContact CB-CE1 4.41Å | ||
| 140 | G | 93.3 | Very high | 95.3 | Very high | 4 Ų | 4 | 27 Ų | 27 | 4% | 0.041 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 83.8 | 24.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | S142 D176 | G140-S142 PolarHBondContact O-N 2.85Å; G140-D176 VanDerWaalsContact N-CG 3.3Å; G140-D176 PolarHBondContact N-OD1 2.85Å; G140-D176 PolarHBondContact N-OD2 3.14Å |
| 141 | N | 95.9 | Very high | 95.3 | Very high | 5 Ų | 5 | 26.2 Ų | 26.2 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | S | Bend | trans | 60.5 | 24.3 | -175.7 | 174.6 | 70.2 | 0 | 0 | 0 | 113.1 | F143 A144 D176 R178 Y180 Y244 Y285 | N141-F143 PolarHBondContact O-N 2.92Å; N141-A144 PolarHBondContact O-N 3.41Å; N141-A144 WeakPolarHBondContact OD1-CB 3.35Å; N141-D176 WeakPolarHBondContact CA-OD1 3.45Å; N141-D176 PolarHBondContact N-OD1 3.03Å; N141-D176 PolarHBondContact N-OD2 3.2Å; N141-R178 HydrophobicContact CB-CB 4.38Å; N141-R178 PolarHBondContact OD1-N 3.28Å; N141-Y180 VanDerWaalsContact CG-OH 3.29Å; N141-Y180 PolarHBondContact ND2-OH 2.85Å; N141-Y180 WeakPolarHBondContact OD1-CE2 3.43Å; N141-Y180 PolarHBondContact OD1-OH 3.18Å; N141-Y244 WeakPolarHBondContact ND2-CD1 3.31Å; N141-Y244 WeakPolarHBondContact ND2-CE1 3.47Å; N141-Y285 HydrophobicContact CB-CD1 4.2Å; N141-Y285 HydrophobicContact CB-CE1 3.7Å |
| 142 | S | 96.6 | Very high | 95.5 | Very high | 24 Ų | 24 | 23.7 Ų | 23.7 | 17% | 0.168 | 13% | 0.132 | C | C | . | . | G | 310 helix | trans | -63.4 | -42.1 | -173.4 | -63.2 | 0 | 0 | 0 | 0 | 112.1 | A66 W119 L139 G140 A144 H145 | A66-S142 VanDerWaalsContact CB-CB 3.48Å; W119-S142 WeakPolarHBondContact CH2-O 3.38Å; L139-S142 PolarHBondContact O-OG 3.44Å; G140-S142 PolarHBondContact O-N 2.85Å; S142-A144 PolarHBondContact O-N 2.9Å; S142-A144 VanDerWaalsContact O-N 3.11Å; S142-H145 VanDerWaalsContact O-CB 3.31Å; S142-H145 WeakPolarHBondContact O-CB 3.29Å; S142-H145 PolarHBondContact O-CD2 3.42Å; S142-H145 VanDerWaalsContact O-CD2 3.31Å; S142-H145 PolarHBondContact O-N 3.2Å |
| 143 | F | 98.2 | Very high | 95.4 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -58.3 | -31 | -177.5 | -171.1 | -94.9 | 0 | 0 | 0 | 113.4 | W119 N141 H145 L146 Q156 A159 L160 I163 I175 H247 F252 | W119-F143 AromaticContact CE3-CD2 3.99Å; W119-F143 HydrophobicContact CE3-CD2 3.99Å; W119-F143 HydrophobicContact CE3-CE2 4.27Å; W119-F143 AromaticContact CZ3-CD2 4Å; W119-F143 HydrophobicContact CZ3-CD2 4Å; N141-F143 PolarHBondContact O-N 2.92Å; F143-H145 PolarHBondContact O-N 3.44Å; F143-L146 HydrophobicContact CE2-CD2 4.35Å; F143-L146 HydrophobicContact CZ-CD2 4.23Å; F143-L146 PolarHBondContact O-N 2.93Å; F143-L146 VanDerWaalsContact O-N 3.09Å; F143-Q156 HydrophobicContact CE1-CB 4.25Å; F143-Q156 HydrophobicContact CE1-CG 4.42Å; F143-Q156 HydrophobicContact CZ-CB 4.07Å; F143-Q156 HydrophobicContact CZ-CG 4.46Å; F143-A159 HydrophobicContact CE2-CB 3.85Å; F143-A159 HydrophobicContact CZ-CB 4.27Å; F143-L160 HydrophobicContact CD2-CD2 4.04Å; F143-L160 HydrophobicContact CE1-CD1 4.31Å; F143-L160 HydrophobicContact CE1-CD2 4.15Å; F143-L160 HydrophobicContact CE1-CG 4.14Å; F143-L160 HydrophobicContact CE2-CD2 3.55Å; F143-L160 HydrophobicContact CE2-CG 3.81Å; F143-L160 HydrophobicContact CZ-CD1 4.07Å; F143-L160 HydrophobicContact CZ-CD2 3.63Å; F143-L160 HydrophobicContact CZ-CG 3.47Å; F143-L160 VanDerWaalsContact CZ-CG 3.47Å; F143-I163 HydrophobicContact CD2-CD1 4.24Å; F143-I163 HydrophobicContact CE2-CD1 4.26Å; F143-I175 HydrophobicContact CB-CD1 3.99Å; F143-I175 HydrophobicContact CB-CG1 4.47Å; F143-I175 HydrophobicContact CD2-CD1 4.1Å; F143-I175 HydrophobicContact CG-CD1 4.02Å; F143-H247 AromaticContact CD1-NE2 3.59Å; F143-H247 AromaticContact CE1-CE1 3.82Å; F143-H247 AromaticContact CE1-NE2 3.68Å; F143-F252 AromaticContact CD1-CE2 3.52Å; F143-F252 HydrophobicContact CD1-CE2 3.52Å; F143-F252 HydrophobicContact CD1-CZ 4.09Å; F143-F252 AromaticContact CE1-CE2 3.83Å; F143-F252 HydrophobicContact CE1-CE2 3.83Å; F143-F252 HydrophobicContact CG-CE2 4.39Å |
| 144 | A | 97.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 15% | 0.145 | C | C | . | . | G | 310 helix | trans | -64.6 | -11.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N141 S142 L146 Y180 Y244 Y245 | N141-A144 PolarHBondContact O-N 3.41Å; N141-A144 WeakPolarHBondContact OD1-CB 3.35Å; S142-A144 PolarHBondContact O-N 2.9Å; S142-A144 VanDerWaalsContact O-N 3.11Å; A144-L146 PolarHBondContact O-N 2.88Å; A144-Y180 HydrophobicContact CB-CE2 3.81Å; A144-Y180 VanDerWaalsContact CB-OH 3.24Å; A144-Y180 WeakPolarHBondContact CB-OH 3.45Å; A144-Y244 HydrophobicContact CB-CD1 4.07Å; A144-Y244 CarbonylContact O-C 3.56Å; A144-Y244 VanDerWaalsContact O-CA 3.26Å; A144-Y244 WeakPolarHBondContact O-CA 3.37Å; A144-Y245 PolarHBondContact O-N 2.83Å |
| 145 | H | 95.1 | Very high | 95.3 | Very high | 26 Ų | 26 | 26.4 Ų | 26.4 | 12% | 0.12 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -69.2 | -19 | 172.6 | -77.8 | -74.9 | 0 | 0 | 0 | 113.8 | Q22 Y23 S142 F143 P147 Y244 | Q22-H145 PolarHBondContact NE2-ND1 3.01Å; Q22-H145 VanDerWaalsContact NE2-ND1 3.16Å; Y23-H145 PolarHBondContact OH-CE1 2.99Å; Y23-H145 VanDerWaalsContact OH-CE1 3.29Å; Y23-H145 PolarHBondContact OH-NE2 3.09Å; S142-H145 VanDerWaalsContact O-CB 3.31Å; S142-H145 WeakPolarHBondContact O-CB 3.29Å; S142-H145 PolarHBondContact O-CD2 3.42Å; S142-H145 VanDerWaalsContact O-CD2 3.31Å; S142-H145 PolarHBondContact O-N 3.2Å; F143-H145 PolarHBondContact O-N 3.44Å; H145-P147 WeakPolarHBondContact O-CD 3.48Å; H145-Y244 AromaticContact CD2-CE1 3.92Å; H145-Y244 AromaticContact CE1-CD1 3.97Å; H145-Y244 AromaticContact CE1-CE1 3.27Å; H145-Y244 WeakPolarHBondContact CE1-CE1 3.47Å; H145-Y244 AromaticContact CE1-CZ 3.74Å; H145-Y244 AromaticContact ND1-CE1 3.9Å; H145-Y244 AromaticContact NE2-CE1 3.24Å; H145-Y244 WeakPolarHBondContact NE2-CE1 3.4Å; H145-Y244 AromaticContact NE2-CZ 3.97Å |
| 146 | L | 95.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -78 | 108.1 | 177.7 | 176.2 | 63.6 | 0 | 0 | 0 | 110.1 | L19 W119 L120 F143 A144 D155 Q156 A159 | L19-L146 HydrophobicContact CD1-CB 4.26Å; L19-L146 HydrophobicContact CD1-CD1 3.71Å; L19-L146 HydrophobicContact CD1-CG 4.48Å; W119-L146 HydrophobicContact CE3-CB 4.36Å; W119-L146 HydrophobicContact CZ3-CB 4.18Å; L120-L146 HydrophobicContact CD2-CD2 4.5Å; F143-L146 HydrophobicContact CE2-CD2 4.35Å; F143-L146 HydrophobicContact CZ-CD2 4.23Å; F143-L146 PolarHBondContact O-N 2.93Å; F143-L146 VanDerWaalsContact O-N 3.09Å; A144-L146 PolarHBondContact O-N 2.88Å; L146-D155 HydrophobicContact CD1-CB 4.44Å; L146-Q156 HydrophobicContact CD2-CB 4.28Å; L146-Q156 HydrophobicContact CD2-CG 3.82Å; L146-Q156 HydrophobicContact CG-CG 3.93Å; L146-Q156 PolarHBondContact O-NE2 3.2Å; L146-A159 HydrophobicContact CD2-CB 3.55Å |
| 147 | P | 92.8 | Very high | 95.2 | Very high | 21 Ų | 21 | 30.7 Ų | 30.7 | 14% | 0.136 | 17% | 0.167 | C | C | . | . | trans | -75 | 161.9 | -177.4 | 33.6 | -36.4 | 0 | 0 | 0 | 111.6 | H145 F149 | H145-P147 WeakPolarHBondContact O-CD 3.48Å; P147-F149 HydrophobicContact CB-CD1 4.37Å; P147-F149 HydrophobicContact CB-CD2 4.44Å; P147-F149 HydrophobicContact CB-CE1 3.99Å; P147-F149 HydrophobicContact CB-CE2 4.09Å; P147-F149 HydrophobicContact CB-CZ 3.84Å; P147-F149 HydrophobicContact CG-CD1 4.44Å; P147-F149 HydrophobicContact CG-CD2 3.76Å; P147-F149 HydrophobicContact CG-CE1 3.94Å; P147-F149 HydrophobicContact CG-CE2 3.18Å; P147-F149 HydrophobicContact CG-CG 4.35Å; P147-F149 HydrophobicContact CG-CZ 3.27Å | ||
| 148 | D | 92.9 | Very high | 95.2 | Very high | 9 Ų | 9 | 33.9 Ų | 33.9 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | trans | -103.9 | 80.5 | 171.3 | -177.6 | 15 | 0 | 0 | 0 | 110.3 | K150 G151 D152 Q153 H217 Y245 | D148-K150 VanDerWaalsContact C-N 3.25Å; D148-K150 PolarHBondContact O-N 3.48Å; D148-G151 WeakPolarHBondContact OD1-CA 2.8Å; D148-G151 PolarHBondContact OD1-N 3.45Å; D148-G151 VanDerWaalsContact OD2-CA 3.25Å; D148-G151 WeakPolarHBondContact OD2-CA 3.39Å; D148-D152 PolarHBondContact OD1-N 3.43Å; D148-D152 PolarHBondContact OD2-N 2.79Å; D148-Q153 PolarHBondContact OD1-N 2.82Å; D148-Q153 VanDerWaalsContact OD1-N 3.15Å; D148-Q153 PolarHBondContact OD2-N 2.93Å; D148-H217 PolarHBondContact O-CE1 3Å; D148-Y245 HydrophobicContact CB-CD2 3.68Å; D148-Y245 HydrophobicContact CB-CE2 3.42Å; D148-Y245 VanDerWaalsContact CB-CE2 3.42Å | ||
| 149 | F | 86.6 | Confident | 95.2 | Very high | 111 Ų | 111 | 33.9 Ų | 33.9 | 49% | 0.487 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -72 | -19.7 | 179.7 | -66.2 | -53.2 | 0 | 0 | 0 | 113.7 | P20 P147 | P20-F149 HydrophobicContact CG-CE2 3.76Å; P20-F149 HydrophobicContact CG-CZ 3.95Å; P147-F149 HydrophobicContact CB-CD1 4.37Å; P147-F149 HydrophobicContact CB-CD2 4.44Å; P147-F149 HydrophobicContact CB-CE1 3.99Å; P147-F149 HydrophobicContact CB-CE2 4.09Å; P147-F149 HydrophobicContact CB-CZ 3.84Å; P147-F149 HydrophobicContact CG-CD1 4.44Å; P147-F149 HydrophobicContact CG-CD2 3.76Å; P147-F149 HydrophobicContact CG-CE1 3.94Å; P147-F149 HydrophobicContact CG-CE2 3.18Å; P147-F149 HydrophobicContact CG-CG 4.35Å; P147-F149 HydrophobicContact CG-CZ 3.27Å |
| 150 | K | 90.7 | Very high | 95.3 | Very high | 130 Ų | 130 | 33.5 Ų | 33.5 | 57% | 0.565 | 18% | 0.182 | S | C | * | . | S | Bend | trans | -92.7 | -22.8 | -176.8 | -67.6 | 165.7 | 179.3 | 170.4 | 0 | 112.4 | D148 D152 S154 D155 | D148-K150 VanDerWaalsContact C-N 3.25Å; D148-K150 PolarHBondContact O-N 3.48Å; K150-D152 WeakPolarHBondContact CB-OD1 3.41Å; K150-S154 WeakPolarHBondContact CD-OG 3.22Å; K150-S154 PolarHBondContact NZ-OG 3.3Å; K150-D155 IonicContact NZ-OD1 2.75Å; K150-D155 PolarHBondContact NZ-OD1 2.94Å; K150-D155 IonicContact NZ-OD2 3.69Å; K150-D155 PolarHBondContact NZ-OD2 2.99Å |
| 151 | G | 90.6 | Very high | 95.5 | Very high | 55 Ų | 55 | 37.4 Ų | 37.4 | 57% | 0.567 | 20% | 0.199 | S | C | * | . | S | Bend | trans | 84.7 | 8 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | D148 | D148-G151 WeakPolarHBondContact OD1-CA 2.8Å; D148-G151 PolarHBondContact OD1-N 3.45Å; D148-G151 VanDerWaalsContact OD2-CA 3.25Å; D148-G151 WeakPolarHBondContact OD2-CA 3.39Å |
| 152 | D | 93.9 | Very high | 95.6 | Very high | 86 Ų | 86 | 38 Ų | 38 | 46% | 0.46 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -123.1 | 3.2 | -176.8 | 69.9 | -4.9 | 0 | 0 | 0 | 113.8 | D148 K150 S154 K157 | D148-D152 PolarHBondContact OD1-N 3.43Å; D148-D152 PolarHBondContact OD2-N 2.79Å; K150-D152 WeakPolarHBondContact CB-OD1 3.41Å; D152-S154 PolarHBondContact O-N 3.49Å; D152-S154 VanDerWaalsContact OD1-CB 3.22Å; D152-S154 WeakPolarHBondContact OD1-CB 3.34Å; D152-S154 PolarHBondContact OD1-N 2.83Å; D152-S154 PolarHBondContact OD1-OG 3.11Å; D152-K157 PolarHBondContact O-NZ 2.79Å |
| 153 | Q | 95.8 | Very high | 95.7 | Very high | 16 Ų | 16 | 36.9 Ų | 36.9 | 8% | 0.075 | 19% | 0.194 | C | C | . | . | trans | 59.1 | 22 | -175 | -52.5 | -174 | -48.3 | 0 | 0 | 114.2 | D148 D155 Q156 K157 Y245 N251 | D148-Q153 PolarHBondContact OD1-N 2.82Å; D148-Q153 VanDerWaalsContact OD1-N 3.15Å; D148-Q153 PolarHBondContact OD2-N 2.93Å; Q153-D155 VanDerWaalsContact C-N 3.29Å; Q153-D155 PolarHBondContact O-N 3.36Å; Q153-Q156 HydrophobicContact CB-CB 4.37Å; Q153-Q156 PolarHBondContact O-N 3.1Å; Q153-K157 WeakPolarHBondContact O-CG 3.4Å; Q153-K157 PolarHBondContact O-N 3.49Å; Q153-Y245 PolarHBondContact NE2-OH 3.16Å; Q153-N251 PolarHBondContact NE2-OD1 3.21Å; Q153-N251 PolarHBondContact OE1-ND2 3.38Å; Q153-N251 PolarHBondContact OE1-OD1 3.02Å | ||
| 154 | S | 97 | Very high | 95.8 | Very high | 35 Ų | 35 | 37 Ų | 37 | 25% | 0.245 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -59 | -42.1 | -175 | 76.8 | 0 | 0 | 0 | 0 | 112.2 | K150 D152 K157 L158 | K150-S154 WeakPolarHBondContact CD-OG 3.22Å; K150-S154 PolarHBondContact NZ-OG 3.3Å; D152-S154 PolarHBondContact O-N 3.49Å; D152-S154 VanDerWaalsContact OD1-CB 3.22Å; D152-S154 WeakPolarHBondContact OD1-CB 3.34Å; D152-S154 PolarHBondContact OD1-N 2.83Å; D152-S154 PolarHBondContact OD1-OG 3.11Å; S154-K157 PolarHBondContact O-N 2.76Å; S154-L158 WeakPolarHBondContact O-CB 3.37Å; S154-L158 PolarHBondContact O-N 3.11Å |
| 155 | D | 96.3 | Very high | 95.8 | Very high | 24 Ų | 24 | 38.5 Ų | 38.5 | 13% | 0.128 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -71.3 | -35.2 | -177.1 | -66.6 | -13.6 | 0 | 0 | 0 | 111 | L120 L146 K150 Q153 L158 A159 | L120-D155 HydrophobicContact CD2-CB 3.97Å; L120-D155 WeakPolarHBondContact CD2-O 3.26Å; L146-D155 HydrophobicContact CD1-CB 4.44Å; K150-D155 IonicContact NZ-OD1 2.75Å; K150-D155 PolarHBondContact NZ-OD1 2.94Å; K150-D155 IonicContact NZ-OD2 3.69Å; K150-D155 PolarHBondContact NZ-OD2 2.99Å; Q153-D155 VanDerWaalsContact C-N 3.29Å; Q153-D155 PolarHBondContact O-N 3.36Å; D155-L158 PolarHBondContact O-N 3.34Å; D155-A159 VanDerWaalsContact O-CB 3.26Å; D155-A159 WeakPolarHBondContact O-CB 3.32Å; D155-A159 PolarHBondContact O-N 2.86Å |
| 156 | Q | 98.1 | Very high | 96 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -67.9 | -43 | 174.9 | -65.9 | 155 | -15.7 | 0 | 0 | 111.2 | F143 L146 Q153 A159 L160 | F143-Q156 HydrophobicContact CE1-CB 4.25Å; F143-Q156 HydrophobicContact CE1-CG 4.42Å; F143-Q156 HydrophobicContact CZ-CB 4.07Å; F143-Q156 HydrophobicContact CZ-CG 4.46Å; L146-Q156 HydrophobicContact CD2-CB 4.28Å; L146-Q156 HydrophobicContact CD2-CG 3.82Å; L146-Q156 HydrophobicContact CG-CG 3.93Å; L146-Q156 PolarHBondContact O-NE2 3.2Å; Q153-Q156 HydrophobicContact CB-CB 4.37Å; Q153-Q156 PolarHBondContact O-N 3.1Å; Q156-A159 PolarHBondContact O-N 2.78Å; Q156-L160 WeakPolarHBondContact O-CG 3.24Å; Q156-L160 PolarHBondContact O-N 2.96Å |
| 157 | K | 98.6 | Very high | 96.1 | Very high | 88 Ų | 88 | 37.2 Ų | 37.2 | 38% | 0.383 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 173.9 | -71.7 | 163.5 | -178.2 | 157.5 | 0 | 111.3 | D152 Q153 S154 L160 Q161 I255 | D152-K157 PolarHBondContact O-NZ 2.79Å; Q153-K157 WeakPolarHBondContact O-CG 3.4Å; Q153-K157 PolarHBondContact O-N 3.49Å; S154-K157 PolarHBondContact O-N 2.76Å; K157-L160 PolarHBondContact O-N 3.4Å; K157-Q161 WeakPolarHBondContact O-CB 3.41Å; K157-Q161 VanDerWaalsContact O-CG 3.24Å; K157-Q161 WeakPolarHBondContact O-CG 3.31Å; K157-Q161 PolarHBondContact O-N 3.45Å; K157-I255 HydrophobicContact CG-CB 4.42Å; K157-I255 HydrophobicContact CG-CG2 4.26Å |
| 158 | L | 98.3 | Very high | 96.4 | Very high | 68 Ų | 68 | 39.5 Ų | 39.5 | 36% | 0.356 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61.7 | -47.2 | 176.4 | 177.1 | 60.9 | 0 | 0 | 0 | 111.8 | L120 S154 D155 L160 Q161 N162 | L120-L158 HydrophobicContact CD2-CD2 4.35Å; S154-L158 WeakPolarHBondContact O-CB 3.37Å; S154-L158 PolarHBondContact O-N 3.11Å; D155-L158 PolarHBondContact O-N 3.34Å; L158-L160 PolarHBondContact O-N 3.42Å; L158-Q161 WeakPolarHBondContact O-CB 3.48Å; L158-Q161 PolarHBondContact O-N 2.75Å; L158-N162 PolarHBondContact O-N 2.89Å |
| 159 | A | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -57.9 | -46.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | W119 L120 F143 L146 D155 Q156 Q161 N162 I163 | W119-A159 HydrophobicContact CB-CB 3.7Å; L120-A159 HydrophobicContact CD2-CB 4.15Å; F143-A159 HydrophobicContact CE2-CB 3.85Å; F143-A159 HydrophobicContact CZ-CB 4.27Å; L146-A159 HydrophobicContact CD2-CB 3.55Å; D155-A159 VanDerWaalsContact O-CB 3.26Å; D155-A159 WeakPolarHBondContact O-CB 3.32Å; D155-A159 PolarHBondContact O-N 2.86Å; Q156-A159 PolarHBondContact O-N 2.78Å; A159-Q161 PolarHBondContact O-N 3.26Å; A159-N162 PolarHBondContact O-N 2.79Å; A159-I163 WeakPolarHBondContact O-CB 3.3Å; A159-I163 VanDerWaalsContact O-CG1 3.24Å; A159-I163 WeakPolarHBondContact O-CG1 3.28Å; A159-I163 PolarHBondContact O-N 2.81Å |
| 160 | L | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -64.7 | -38.5 | 176.5 | -70.1 | 177.6 | 0 | 0 | 0 | 112.4 | F143 Q156 K157 L158 I163 A164 I175 I255 L256 A259 | F143-L160 HydrophobicContact CD2-CD2 4.04Å; F143-L160 HydrophobicContact CE1-CD1 4.31Å; F143-L160 HydrophobicContact CE1-CD2 4.15Å; F143-L160 HydrophobicContact CE1-CG 4.14Å; F143-L160 HydrophobicContact CE2-CD2 3.55Å; F143-L160 HydrophobicContact CE2-CG 3.81Å; F143-L160 HydrophobicContact CZ-CD1 4.07Å; F143-L160 HydrophobicContact CZ-CD2 3.63Å; F143-L160 HydrophobicContact CZ-CG 3.47Å; F143-L160 VanDerWaalsContact CZ-CG 3.47Å; Q156-L160 WeakPolarHBondContact O-CG 3.24Å; Q156-L160 PolarHBondContact O-N 2.96Å; K157-L160 PolarHBondContact O-N 3.4Å; L158-L160 PolarHBondContact O-N 3.42Å; L160-I163 PolarHBondContact O-N 3.15Å; L160-A164 WeakPolarHBondContact O-CB 3.44Å; L160-A164 PolarHBondContact O-N 3.26Å; L160-I175 HydrophobicContact CD2-CD1 3.81Å; L160-I255 HydrophobicContact CD1-CB 4.22Å; L160-I255 HydrophobicContact CD1-CD1 3.67Å; L160-I255 HydrophobicContact CD1-CG1 3.58Å; L160-L256 HydrophobicContact CD1-CD1 4.24Å; L160-L256 HydrophobicContact CD2-CD1 3.77Å; L160-L256 HydrophobicContact CG-CD1 4.46Å; L160-A259 HydrophobicContact CB-CB 3.74Å |
| 161 | Q | 98.7 | Very high | 97.5 | Very high | 85 Ų | 85 | 31.9 Ų | 31.9 | 40% | 0.397 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61 | -45.7 | 174.5 | -77 | 170.4 | -15.5 | 0 | 0 | 111.2 | K157 L158 A159 A164 S165 A259 | K157-Q161 WeakPolarHBondContact O-CB 3.41Å; K157-Q161 VanDerWaalsContact O-CG 3.24Å; K157-Q161 WeakPolarHBondContact O-CG 3.31Å; K157-Q161 PolarHBondContact O-N 3.45Å; L158-Q161 WeakPolarHBondContact O-CB 3.48Å; L158-Q161 PolarHBondContact O-N 2.75Å; A159-Q161 PolarHBondContact O-N 3.26Å; Q161-A164 PolarHBondContact O-N 2.97Å; Q161-S165 WeakPolarHBondContact O-CB 3.49Å; Q161-S165 PolarHBondContact O-N 3.15Å; Q161-A259 HydrophobicContact CG-CB 4.27Å |
| 162 | N | 98.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 29.2 Ų | 29.2 | 10% | 0.102 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 177.3 | -75.2 | -15.6 | 0 | 0 | 0 | 111.7 | W119 L120 L122 T123 L158 A159 S165 M166 | W119-N162 VanDerWaalsContact O-CB 3.28Å; W119-N162 WeakPolarHBondContact O-CB 3.3Å; W119-N162 PolarHBondContact O-ND2 2.98Å; L120-N162 VanDerWaalsContact C-ND2 3.31Å; L120-N162 PolarHBondContact O-ND2 3.13Å; L122-N162 HydrophobicContact CB-CB 4.11Å; T123-N162 HydrophobicContact CG2-CB 4.38Å; L158-N162 PolarHBondContact O-N 2.89Å; A159-N162 PolarHBondContact O-N 2.79Å; N162-S165 WeakPolarHBondContact O-CB 3.43Å; N162-S165 PolarHBondContact O-N 2.65Å; N162-S165 PolarHBondContact O-OG 3Å; N162-M166 PolarHBondContact O-N 3.07Å |
| 163 | I | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 175.2 | -68.5 | 166.5 | 0 | 0 | 0 | 110.8 | V65 W119 L122 V136 F143 A159 L160 S165 M166 L173 | V65-I163 HydrophobicContact CG2-CD1 4.15Å; V65-I163 HydrophobicContact CG2-CG1 4.25Å; V65-I163 HydrophobicContact CG2-CG2 4.49Å; W119-I163 HydrophobicContact CB-CD1 4.35Å; W119-I163 HydrophobicContact CD2-CD1 4.3Å; W119-I163 HydrophobicContact CG-CD1 3.97Å; W119-I163 HydrophobicContact CG-CG1 4.46Å; L122-I163 HydrophobicContact CD2-CG1 3.91Å; V136-I163 HydrophobicContact CG1-CG2 3.93Å; F143-I163 HydrophobicContact CD2-CD1 4.24Å; F143-I163 HydrophobicContact CE2-CD1 4.26Å; A159-I163 WeakPolarHBondContact O-CB 3.3Å; A159-I163 VanDerWaalsContact O-CG1 3.24Å; A159-I163 WeakPolarHBondContact O-CG1 3.28Å; A159-I163 PolarHBondContact O-N 2.81Å; L160-I163 PolarHBondContact O-N 3.15Å; I163-S165 PolarHBondContact O-N 2.63Å; I163-M166 VanDerWaalsContact O-CB 3.32Å; I163-M166 WeakPolarHBondContact O-CB 3.48Å; I163-M166 PolarHBondContact O-N 2.84Å; I163-L173 HydrophobicContact CG2-CD1 3.73Å; I163-L173 HydrophobicContact CG2-CD2 4.12Å |
| 164 | A | 98.6 | Very high | 98.2 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 2% | 0.017 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.3 | -29.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L160 Q161 M166 V167 A259 F260 K292 | L160-A164 WeakPolarHBondContact O-CB 3.44Å; L160-A164 PolarHBondContact O-N 3.26Å; Q161-A164 PolarHBondContact O-N 2.97Å; A164-M166 PolarHBondContact O-N 3.25Å; A164-V167 PolarHBondContact O-N 2.94Å; A164-A259 HydrophobicContact CB-CB 4.03Å; A164-F260 HydrophobicContact CB-CD1 4.19Å; A164-F260 HydrophobicContact CB-CD2 3.94Å; A164-F260 HydrophobicContact CB-CE1 3.89Å; A164-F260 HydrophobicContact CB-CE2 3.61Å; A164-F260 HydrophobicContact CB-CG 4.22Å; A164-F260 HydrophobicContact CB-CZ 3.59Å; A164-K292 PolarHBondContact O-NZ 2.64Å |
| 165 | S | 97.9 | Very high | 98.3 | Very high | 32 Ų | 32 | 22.7 Ų | 22.7 | 22% | 0.224 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -68.7 | -21 | 175.2 | 91.6 | 0 | 0 | 0 | 0 | 113.2 | T123 K128 Q161 N162 I163 V167 | T123-S165 WeakPolarHBondContact CG2-OG 3.43Å; K128-S165 WeakPolarHBondContact CE-O 3.41Å; K128-S165 PolarHBondContact NZ-O 3.42Å; K128-S165 PolarHBondContact NZ-OG 2.83Å; Q161-S165 WeakPolarHBondContact O-CB 3.49Å; Q161-S165 PolarHBondContact O-N 3.15Å; N162-S165 WeakPolarHBondContact O-CB 3.43Å; N162-S165 PolarHBondContact O-N 2.65Å; N162-S165 PolarHBondContact O-OG 3Å; I163-S165 PolarHBondContact O-N 2.63Å; S165-V167 VanDerWaalsContact C-N 3.35Å |
| 166 | M | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -79 | -21 | 176.6 | -63.9 | -64.6 | 158.3 | 0 | 0 | 112.2 | L63 L122 T123 V126 K128 G132 F133 V136 N162 I163 A164 | L63-M166 HydrophobicContact CD2-CB 3.74Å; L63-M166 HydrophobicContact CD2-CG 3.71Å; L63-M166 HydrophobicContact CD2-SD 4.28Å; L122-M166 HydrophobicContact CB-CE 4.44Å; L122-M166 HydrophobicContact CD2-CE 4.41Å; L122-M166 HydrophobicContact CD2-CG 3.8Å; L122-M166 HydrophobicContact CG-CE 4.02Å; L122-M166 HydrophobicContact CG-CG 4.34Å; L122-M166 WeakPolarHBondContact O-CE 3.37Å; T123-M166 VanDerWaalsContact CA-CE 3.48Å; T123-M166 HydrophobicContact CG2-CE 4Å; V126-M166 HydrophobicContact CB-CE 4.45Å; K128-M166 HydrophobicContact CD-SD 4.08Å; K128-M166 VanDerWaalsContact CE-CE 3.42Å; K128-M166 WeakPolarHBondContact CE-SD 3.43Å; K128-M166 HydrophobicContact CG-CE 4.25Å; K128-M166 HydrophobicContact CG-SD 3.57Å; K128-M166 VanDerWaalsContact CG-SD 3.57Å; G132-M166 CarbonylContact C-O 3.49Å; G132-M166 WeakPolarHBondContact CA-O 3.43Å; F133-M166 HydrophobicContact CD2-CB 4.33Å; F133-M166 PolarHBondContact N-O 3.35Å; V136-M166 HydrophobicContact CG2-CB 3.85Å; N162-M166 PolarHBondContact O-N 3.07Å; I163-M166 VanDerWaalsContact O-CB 3.32Å; I163-M166 WeakPolarHBondContact O-CB 3.48Å; I163-M166 PolarHBondContact O-N 2.84Å; A164-M166 PolarHBondContact O-N 3.25Å |
| 167 | V | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 125.5 | 176.6 | -170.3 | 0 | 0 | 0 | 0 | 109.5 | V136 A164 S165 L173 F260 K292 | V136-V167 HydrophobicContact CB-CG2 3.95Å; V136-V167 HydrophobicContact CG2-CB 4.38Å; V136-V167 HydrophobicContact CG2-CG2 3.54Å; A164-V167 PolarHBondContact O-N 2.94Å; S165-V167 VanDerWaalsContact C-N 3.35Å; V167-L173 HydrophobicContact CG2-CB 4.02Å; V167-F260 HydrophobicContact CB-CE1 4.29Å; V167-F260 HydrophobicContact CG2-CE1 4.26Å; V167-F260 HydrophobicContact CG2-CZ 4.19Å; V167-K292 HydrophobicContact CB-CD 4.23Å; V167-K292 HydrophobicContact CG1-CB 4.06Å; V167-K292 HydrophobicContact CG1-CD 4.33Å; V167-K292 VanDerWaalsContact O-CD 3.29Å; V167-K292 WeakPolarHBondContact O-CD 3.4Å; V167-K292 PolarHBondContact O-NZ 3.16Å |
| 168 | R | 98 | Very high | 98.2 | Very high | 69 Ų | 69 | 17.8 Ų | 17.8 | 26% | 0.26 | 10% | 0.1 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 160 | 174 | 74.7 | 169.3 | 172.9 | 80 | -1.8 | 111.8 | N131 F133 D134 G170 G171 | N131-R168 WeakPolarHBondContact O-CA 3.22Å; N131-R168 WeakPolarHBondContact O-CB 3.4Å; F133-R168 WeakPolarHBondContact O-CG 3.29Å; F133-R168 PolarHBondContact O-N 3Å; D134-R168 IonicContact OD1-CZ 3.34Å; D134-R168 IonicContact OD1-NE 2.67Å; D134-R168 PolarHBondContact OD1-NE 3.36Å; D134-R168 IonicContact OD1-NH2 3.12Å; D134-R168 PolarHBondContact OD1-NH2 3.23Å; D134-R168 VanDerWaalsContact OD1-NH2 3.12Å; R168-G170 PolarHBondContact O-N 2.93Å; R168-G171 WeakPolarHBondContact O-CA 3.44Å; R168-G171 PolarHBondContact O-N 3.26Å |
| 169 | P | 97.5 | Very high | 98.1 | Very high | 55 Ų | 55 | 15 Ų | 15 | 36% | 0.357 | 9% | 0.085 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.2 | 129.4 | 166 | -24.4 | 34.9 | 0 | 0 | 0 | 111.3 | G171 A294 | P169-G171 PolarHBondContact O-N 3.43Å; P169-A294 WeakPolarHBondContact CG-OXT 3.26Å |
| 170 | G | 97.6 | Very high | 97.9 | Very high | 32 Ų | 32 | 15 Ų | 15 | 33% | 0.33 | 9% | 0.085 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.2 | -2.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | R168 K292 | R168-G170 PolarHBondContact O-N 2.93Å; G170-K292 WeakPolarHBondContact CA-O 3.35Å; G170-K292 PolarHBondContact N-O 2.71Å |
| 171 | G | 98.4 | Very high | 97.8 | Very high | 2 Ų | 2 | 16.6 Ų | 16.6 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 174.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | D134 R168 P169 K291 K292 | D134-G171 CarbonylContact O-C 3.59Å; D134-G171 WeakPolarHBondContact O-CA 3.29Å; R168-G171 WeakPolarHBondContact O-CA 3.44Å; R168-G171 PolarHBondContact O-N 3.26Å; P169-G171 PolarHBondContact O-N 3.43Å; G171-K291 WeakPolarHBondContact O-CA 3.46Å; G171-K292 PolarHBondContact O-N 3.28Å |
| 172 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 148 | -177.2 | 64.6 | 175.8 | 0 | 0 | 0 | 113 | L53 L54 H57 V59 D134 A135 V136 I174 V290 K291 | L53-I172 HydrophobicContact CD2-CD1 4.47Å; L53-I172 HydrophobicContact CG-CD1 4.29Å; L54-I172 HydrophobicContact CD2-CD1 4.27Å; H57-I172 HydrophobicContact CB-CD1 4.33Å; V59-I172 HydrophobicContact CG2-CD1 4.45Å; V59-I172 HydrophobicContact CG2-CG1 4.49Å; D134-I172 PolarHBondContact O-N 3.07Å; A135-I172 CarbonylContact C-O 3.56Å; A135-I172 WeakPolarHBondContact CA-O 3.48Å; A135-I172 HydrophobicContact CB-CD1 4.43Å; A135-I172 HydrophobicContact CB-CG1 3.73Å; V136-I172 PolarHBondContact N-O 3.32Å; I172-I174 HydrophobicContact CD1-CD1 4.27Å; I172-I174 HydrophobicContact CD1-CG1 4.31Å; I172-V290 CarbonylContact C-O 3.51Å; I172-V290 WeakPolarHBondContact CA-O 3.48Å; I172-K291 HydrophobicContact CG2-CB 3.95Å; I172-K291 HydrophobicContact CG2-CG 4.1Å |
| 173 | L | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 131.4 | 163.9 | 171.1 | 63.1 | 0 | 0 | 0 | 108.5 | V136 I163 V167 I175 L256 F260 V289 V290 | V136-L173 HydrophobicContact CB-CD1 3.94Å; V136-L173 HydrophobicContact CG1-CD1 3.97Å; V136-L173 CarbonylContact O-C 3.58Å; V136-L173 VanDerWaalsContact O-CA 3.32Å; V136-L173 WeakPolarHBondContact O-CA 3.28Å; V136-L173 WeakPolarHBondContact O-CD1 3.41Å; I163-L173 HydrophobicContact CG2-CD1 3.73Å; I163-L173 HydrophobicContact CG2-CD2 4.12Å; V167-L173 HydrophobicContact CG2-CB 4.02Å; L173-I175 HydrophobicContact CD1-CB 4.21Å; L173-I175 HydrophobicContact CD1-CG2 4.5Å; L173-I175 HydrophobicContact CD2-CG2 3.99Å; L173-I175 HydrophobicContact CG-CB 4.21Å; L173-I175 HydrophobicContact CG-CG2 3.96Å; L173-L256 HydrophobicContact CD2-CD1 3.8Å; L173-F260 HydrophobicContact CB-CZ 3.94Å; L173-F260 HydrophobicContact CD2-CE2 3.85Å; L173-F260 HydrophobicContact CD2-CZ 3.89Å; L173-V289 WeakPolarHBondContact O-CA 3.31Å; L173-V290 HydrophobicContact CB-CB 4.38Å; L173-V290 PolarHBondContact N-O 2.99Å; L173-V290 PolarHBondContact O-N 2.89Å |
| 174 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 108.9 | 169.7 | -45.5 | 175.7 | 0 | 0 | 0 | 107.4 | W49 L53 L54 V136 I137 C138 L139 I172 I287 H288 V289 | W49-I174 HydrophobicContact CZ3-CG2 4.34Å; L53-I174 HydrophobicContact CD2-CD1 3.82Å; L53-I174 HydrophobicContact CD2-CG1 4.33Å; L54-I174 HydrophobicContact CD2-CD1 4.2Å; V136-I174 PolarHBondContact O-N 3.29Å; I137-I174 CarbonylContact C-O 3.56Å; I137-I174 VanDerWaalsContact CA-O 3.29Å; I137-I174 WeakPolarHBondContact CA-O 3.25Å; I137-I174 HydrophobicContact CG2-CB 4.19Å; I137-I174 HydrophobicContact CG2-CD1 4.24Å; I137-I174 HydrophobicContact CG2-CG1 4.39Å; C138-I174 PolarHBondContact N-O 2.76Å; L139-I174 HydrophobicContact CD2-CG2 3.85Å; I172-I174 HydrophobicContact CD1-CD1 4.27Å; I172-I174 HydrophobicContact CD1-CG1 4.31Å; I174-I287 HydrophobicContact CG2-CG2 3.74Å; I174-H288 WeakPolarHBondContact CA-O 3.21Å; I174-V289 HydrophobicContact CG2-CG2 4.42Å |
| 175 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 138.3 | -177.6 | -177.9 | 164.2 | 0 | 0 | 0 | 110 | C138 F143 L160 L173 F252 L256 H288 | C138-I175 HydrophobicContact CB-CB 4.19Å; C138-I175 HydrophobicContact CB-CD1 4Å; C138-I175 HydrophobicContact CB-CG1 3.84Å; C138-I175 VanDerWaalsContact O-CA 3.29Å; C138-I175 WeakPolarHBondContact O-CA 3.36Å; F143-I175 HydrophobicContact CB-CD1 3.99Å; F143-I175 HydrophobicContact CB-CG1 4.47Å; F143-I175 HydrophobicContact CD2-CD1 4.1Å; F143-I175 HydrophobicContact CG-CD1 4.02Å; L160-I175 HydrophobicContact CD2-CD1 3.81Å; L173-I175 HydrophobicContact CD1-CB 4.21Å; L173-I175 HydrophobicContact CD1-CG2 4.5Å; L173-I175 HydrophobicContact CD2-CG2 3.99Å; L173-I175 HydrophobicContact CG-CB 4.21Å; L173-I175 HydrophobicContact CG-CG2 3.96Å; I175-F252 HydrophobicContact CD1-CZ 3.91Å; I175-F252 HydrophobicContact CG1-CE1 4.41Å; I175-F252 HydrophobicContact CG1-CZ 4.03Å; I175-F252 HydrophobicContact CG2-CE1 4.23Å; I175-L256 HydrophobicContact CG2-CD1 4.03Å; I175-L256 HydrophobicContact CG2-CD2 3.59Å; I175-L256 HydrophobicContact CG2-CG 4.49Å; I175-H288 HydrophobicContact CG2-CB 3.98Å; I175-H288 PolarHBondContact N-O 3.23Å; I175-H288 WeakPolarHBondContact O-CA 3.28Å; I175-H288 WeakPolarHBondContact O-CB 3.34Å; I175-H288 PolarHBondContact O-N 2.82Å |
| 176 | D | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 165 | -178.4 | 79.1 | -18.2 | 0 | 0 | 0 | 113.3 | C138 L139 G140 N141 Y196 F286 I287 | C138-D176 PolarHBondContact O-N 3.16Å; C138-D176 VanDerWaalsContact O-N 3.1Å; L139-D176 VanDerWaalsContact CA-OD1 3.25Å; L139-D176 WeakPolarHBondContact CA-OD1 3.34Å; L139-D176 HydrophobicContact CD2-CB 4.32Å; G140-D176 VanDerWaalsContact N-CG 3.3Å; G140-D176 PolarHBondContact N-OD1 2.85Å; G140-D176 PolarHBondContact N-OD2 3.14Å; N141-D176 WeakPolarHBondContact CA-OD1 3.45Å; N141-D176 PolarHBondContact N-OD1 3.03Å; N141-D176 PolarHBondContact N-OD2 3.2Å; D176-Y196 WeakPolarHBondContact OD2-CE2 3.4Å; D176-Y196 PolarHBondContact OD2-OH 3.04Å; D176-F286 CarbonylContact C-O 3.59Å; D176-F286 WeakPolarHBondContact CA-O 3.3Å; D176-F286 VanDerWaalsContact CB-O 3.3Å; D176-F286 WeakPolarHBondContact CB-O 3.36Å; D176-I287 HydrophobicContact CB-CG1 4.14Å |
| 177 | H | 97.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158.9 | 163.7 | 65.8 | 90.4 | 0 | 0 | 0 | 109.8 | Y180 H247 F252 Y285 F286 H288 | H177-Y180 HydrophobicContact CB-CE2 4.39Å; H177-H247 PolarHBondContact CE1-O 2.97Å; H177-H247 PolarHBondContact ND1-O 3.34Å; H177-F252 AromaticContact CD2-CD1 3.33Å; H177-F252 WeakPolarHBondContact CD2-CD1 3.34Å; H177-F252 AromaticContact CD2-CE1 3.71Å; H177-F252 AromaticContact CD2-CG 3.58Å; H177-F252 AromaticContact NE2-CD1 3.65Å; H177-F252 AromaticContact NE2-CG 3.73Å; H177-Y285 WeakPolarHBondContact O-CA 3.42Å; H177-F286 AromaticContact CE1-CD2 3.71Å; H177-F286 PolarHBondContact N-O 3.23Å; H177-F286 PolarHBondContact O-N 3.1Å; H177-H288 AromaticContact CD2-CD2 3.85Å; H177-H288 AromaticContact CD2-NE2 3.52Å; H177-H288 AromaticContact NE2-NE2 3.19Å; H177-H288 PolarHBondContact NE2-NE2 2.77Å; H177-H288 VanDerWaalsContact NE2-NE2 3.19Å |
| 178 | R | 94.6 | Very high | 95.5 | Very high | 10 Ų | 10 | 34.6 Ų | 34.6 | 4% | 0.038 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 155 | 174.1 | -152.5 | 169.2 | -170.9 | -170 | 3.9 | 109.9 | N141 Y180 I183 C284 Y285 | N141-R178 HydrophobicContact CB-CB 4.38Å; N141-R178 PolarHBondContact OD1-N 3.28Å; R178-Y180 HydrophobicContact CB-CD2 4.49Å; R178-Y180 HydrophobicContact CB-CE1 4.24Å; R178-Y180 HydrophobicContact CB-CE2 4.07Å; R178-Y180 VanDerWaalsContact O-CD2 3.22Å; R178-Y180 WeakPolarHBondContact O-CD2 3.46Å; R178-Y180 PolarHBondContact O-N 2.85Å; R178-I183 HydrophobicContact CG-CD1 4.13Å; R178-C284 VanDerWaalsContact CG-O 3.29Å; R178-C284 WeakPolarHBondContact CG-O 3.45Å; R178-Y285 HydrophobicContact CB-CD1 4.48Å; R178-Y285 HydrophobicContact CB-CE1 4.37Å; R178-Y285 HydrophobicContact CG-CE1 4.3Å |
| 179 | N | 94.9 | Very high | 94.5 | Very high | 8 Ų | 8 | 31.8 Ų | 31.8 | 4% | 0.043 | 17% | 0.169 | C | C | . | . | trans | -70.9 | 79.8 | 173.9 | -174.7 | -9.4 | 0 | 0 | 0 | 110.9 | D181 Y182 I183 P283 C284 F286 | N179-D181 VanDerWaalsContact C-N 3.29Å; N179-Y182 PolarHBondContact O-N 3.28Å; N179-Y182 PolarHBondContact OD1-N 2.78Å; N179-I183 WeakPolarHBondContact O-CG1 3.29Å; N179-I183 PolarHBondContact O-N 3.22Å; N179-P283 WeakPolarHBondContact CB-O 3.34Å; N179-P283 PolarHBondContact ND2-O 3.46Å; N179-C284 PolarHBondContact N-O 3.44Å; N179-F286 HydrophobicContact CB-CD2 4.24Å; N179-F286 HydrophobicContact CB-CE2 3.85Å; N179-F286 HydrophobicContact CB-CZ 4.49Å; N179-F286 VanDerWaalsContact CG-CE2 3.46Å; N179-F286 WeakPolarHBondContact OD1-CE2 3.48Å | ||
| 180 | Y | 96.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -72.1 | -23.7 | 179.6 | -67.3 | -65.1 | 0 | 0 | 0 | 112.6 | N141 A144 H177 R178 Y182 I183 L184 I219 Y244 P246 H247 | N141-Y180 VanDerWaalsContact CG-OH 3.29Å; N141-Y180 PolarHBondContact ND2-OH 2.85Å; N141-Y180 WeakPolarHBondContact OD1-CE2 3.43Å; N141-Y180 PolarHBondContact OD1-OH 3.18Å; A144-Y180 HydrophobicContact CB-CE2 3.81Å; A144-Y180 VanDerWaalsContact CB-OH 3.24Å; A144-Y180 WeakPolarHBondContact CB-OH 3.45Å; H177-Y180 HydrophobicContact CB-CE2 4.39Å; R178-Y180 HydrophobicContact CB-CD2 4.49Å; R178-Y180 HydrophobicContact CB-CE1 4.24Å; R178-Y180 HydrophobicContact CB-CE2 4.07Å; R178-Y180 VanDerWaalsContact O-CD2 3.22Å; R178-Y180 WeakPolarHBondContact O-CD2 3.46Å; R178-Y180 PolarHBondContact O-N 2.85Å; Y180-Y182 VanDerWaalsContact C-N 3.32Å; Y180-Y182 PolarHBondContact O-N 3.35Å; Y180-I183 HydrophobicContact CD1-CD1 3.84Å; Y180-I183 HydrophobicContact CE1-CD1 4.17Å; Y180-I183 PolarHBondContact O-N 3.49Å; Y180-L184 VanDerWaalsContact O-CB 3.31Å; Y180-L184 WeakPolarHBondContact O-CB 3.39Å; Y180-L184 WeakPolarHBondContact O-CG 3.07Å; Y180-L184 PolarHBondContact O-N 2.68Å; Y180-I219 HydrophobicContact CD1-CD1 3.41Å; Y180-I219 VanDerWaalsContact CD1-CD1 3.41Å; Y180-I219 HydrophobicContact CE1-CD1 3.95Å; Y180-I219 HydrophobicContact CG-CD1 4.36Å; Y180-Y244 VanDerWaalsContact OH-CB 3.26Å; Y180-Y244 WeakPolarHBondContact OH-CB 3.29Å; Y180-P246 HydrophobicContact CD1-CB 4.3Å; Y180-P246 HydrophobicContact CG-CB 4.24Å; Y180-H247 HydrophobicContact CD2-CB 4.23Å; Y180-H247 VanDerWaalsContact CD2-N 3.33Å; Y180-H247 WeakPolarHBondContact CD2-O 3.42Å |
| 181 | D | 95.1 | Very high | 91.5 | Very high | 34 Ų | 34 | 36.5 Ų | 36.5 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.9 | -48.6 | 170.6 | -66.1 | -79.3 | 0 | 0 | 0 | 110.8 | N179 L184 E185 R248 I249 | N179-D181 VanDerWaalsContact C-N 3.29Å; D181-L184 PolarHBondContact O-N 3.25Å; D181-E185 WeakPolarHBondContact O-CB 3.4Å; D181-E185 PolarHBondContact O-N 2.9Å; D181-E185 VanDerWaalsContact O-N 3.1Å; D181-R248 WeakPolarHBondContact OD1-CB 3.39Å; D181-R248 VanDerWaalsContact OD1-CG 3.3Å; D181-R248 WeakPolarHBondContact OD1-CG 3.07Å; D181-R248 IonicContact OD1-CZ 2.68Å; D181-R248 IonicContact OD1-NH1 3.54Å; D181-R248 PolarHBondContact OD1-NH1 3.45Å; D181-R248 WeakPolarHBondContact OD2-CA 3.17Å; D181-I249 PolarHBondContact OD2-N 2.85Å |
| 182 | Y | 93.1 | Very high | 89.5 | Confident | 81 Ų | 81 | 38.5 Ų | 38.5 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.5 | -43 | 174.1 | -179 | -82.4 | 0 | 0 | 0 | 112.7 | N179 Y180 L184 E185 T186 P190 A282 | N179-Y182 PolarHBondContact O-N 3.28Å; N179-Y182 PolarHBondContact OD1-N 2.78Å; Y180-Y182 VanDerWaalsContact C-N 3.32Å; Y180-Y182 PolarHBondContact O-N 3.35Å; Y182-L184 PolarHBondContact O-N 2.89Å; Y182-E185 PolarHBondContact O-N 2.98Å; Y182-T186 HydrophobicContact CD1-CG2 4.2Å; Y182-T186 HydrophobicContact CD2-CG2 4.24Å; Y182-T186 HydrophobicContact CE1-CG2 3.87Å; Y182-T186 VanDerWaalsContact CE1-OG1 3.29Å; Y182-T186 WeakPolarHBondContact CE1-OG1 3.14Å; Y182-T186 HydrophobicContact CE2-CG2 3.92Å; Y182-T186 HydrophobicContact CG-CG2 4.37Å; Y182-T186 WeakPolarHBondContact O-CB 3.35Å; Y182-T186 WeakPolarHBondContact O-CG2 3.28Å; Y182-T186 PolarHBondContact O-N 2.99Å; Y182-T186 PolarHBondContact O-OG1 2.82Å; Y182-P190 HydrophobicContact CD1-CB 4.31Å; Y182-P190 HydrophobicContact CD1-CG 3.62Å; Y182-P190 HydrophobicContact CE1-CB 4.22Å; Y182-P190 HydrophobicContact CE1-CG 4.01Å; Y182-P190 HydrophobicContact CG-CG 4.26Å; Y182-A282 HydrophobicContact CD2-CB 3.88Å; Y182-A282 HydrophobicContact CE2-CB 4.39Å |
| 183 | I | 93.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.1 | -41 | -177.6 | -61.6 | 173.3 | 0 | 0 | 0 | 111 | R178 N179 Y180 E185 G187 T207 I219 | R178-I183 HydrophobicContact CG-CD1 4.13Å; N179-I183 WeakPolarHBondContact O-CG1 3.29Å; N179-I183 PolarHBondContact O-N 3.22Å; Y180-I183 HydrophobicContact CD1-CD1 3.84Å; Y180-I183 HydrophobicContact CE1-CD1 4.17Å; Y180-I183 PolarHBondContact O-N 3.49Å; I183-E185 VanDerWaalsContact C-N 3.33Å; I183-G187 WeakPolarHBondContact O-CA 3.24Å; I183-G187 PolarHBondContact O-N 3.49Å; I183-T207 HydrophobicContact CG2-CG2 3.81Å; I183-I219 HydrophobicContact CB-CD1 4.12Å; I183-I219 HydrophobicContact CG2-CD1 3.67Å; I183-I219 HydrophobicContact CG2-CG2 4.4Å |
| 184 | L | 95.1 | Very high | 86.5 | Confident | 18 Ų | 18 | 46.4 Ų | 46.4 | 9% | 0.094 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -68.4 | -34.1 | 178.5 | -70 | 175.4 | 0 | 0 | 0 | 112.1 | Y180 D181 Y182 V209 W211 P216 I219 P246 R248 | Y180-L184 VanDerWaalsContact O-CB 3.31Å; Y180-L184 WeakPolarHBondContact O-CB 3.39Å; Y180-L184 WeakPolarHBondContact O-CG 3.07Å; Y180-L184 PolarHBondContact O-N 2.68Å; D181-L184 PolarHBondContact O-N 3.25Å; Y182-L184 PolarHBondContact O-N 2.89Å; L184-V209 HydrophobicContact CD2-CG1 3.73Å; L184-W211 HydrophobicContact CD2-CZ2 4.35Å; L184-P216 HydrophobicContact CD1-CB 3.93Å; L184-P216 HydrophobicContact CD1-CG 3.78Å; L184-P216 HydrophobicContact CD2-CB 3.48Å; L184-P216 VanDerWaalsContact CD2-CB 3.48Å; L184-P216 HydrophobicContact CD2-CG 4.27Å; L184-P216 HydrophobicContact CG-CB 4.36Å; L184-I219 HydrophobicContact CD2-CD1 4.03Å; L184-I219 HydrophobicContact CD2-CG1 4.48Å; L184-I219 HydrophobicContact CG-CD1 4.38Å; L184-P246 HydrophobicContact CD1-CB 4.18Å; L184-P246 HydrophobicContact CD2-CB 4.22Å; L184-P246 HydrophobicContact CG-CB 4.39Å; L184-R248 HydrophobicContact CD1-CG 4.26Å |
| 185 | E | 93.6 | Very high | 85.4 | Confident | 167 Ų | 167 | 47 Ų | 47 | 78% | 0.78 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -73.7 | -42.5 | 177.1 | -175.5 | 175.7 | -171.5 | 0 | 0 | 112.4 | D181 Y182 I183 | D181-E185 WeakPolarHBondContact O-CB 3.4Å; D181-E185 PolarHBondContact O-N 2.9Å; D181-E185 VanDerWaalsContact O-N 3.1Å; Y182-E185 PolarHBondContact O-N 2.98Å; I183-E185 VanDerWaalsContact C-N 3.33Å |
| 186 | T | 91.7 | Very high | 84.1 | Confident | 56 Ų | 56 | 47 Ų | 47 | 34% | 0.344 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -98.2 | -13.6 | -171.8 | 64.4 | 0 | 0 | 0 | 0 | 114.2 | Y182 R188 | Y182-T186 HydrophobicContact CD1-CG2 4.2Å; Y182-T186 HydrophobicContact CD2-CG2 4.24Å; Y182-T186 HydrophobicContact CE1-CG2 3.87Å; Y182-T186 VanDerWaalsContact CE1-OG1 3.29Å; Y182-T186 WeakPolarHBondContact CE1-OG1 3.14Å; Y182-T186 HydrophobicContact CE2-CG2 3.92Å; Y182-T186 HydrophobicContact CG-CG2 4.37Å; Y182-T186 WeakPolarHBondContact O-CB 3.35Å; Y182-T186 WeakPolarHBondContact O-CG2 3.28Å; Y182-T186 PolarHBondContact O-N 2.99Å; Y182-T186 PolarHBondContact O-OG1 2.82Å; T186-R188 PolarHBondContact O-N 3.08Å; T186-R188 PolarHBondContact OG1-N 2.69Å; T186-R188 PolarHBondContact OG1-O 2.92Å; T186-R188 VanDerWaalsContact OG1-O 3.11Å |
| 187 | G | 89.3 | Confident | 82.7 | Confident | 35 Ų | 35 | 48.2 Ų | 48.2 | 36% | 0.361 | 24% | 0.243 | S | C | . | . | S | Bend | trans | 66.9 | 10.2 | -170.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | I183 | I183-G187 WeakPolarHBondContact O-CA 3.24Å; I183-G187 PolarHBondContact O-N 3.49Å |
| 188 | R | 85.8 | Confident | 81.2 | Confident | 160 Ų | 160 | 50 Ų | 50 | 60% | 0.604 | 25% | 0.251 | S | S | * | . | S | Bend | trans | -133.1 | 134.8 | -174.8 | -63.4 | -177.7 | -175.7 | -176.7 | 1.2 | 110.9 | T186 | T186-R188 PolarHBondContact O-N 3.08Å; T186-R188 PolarHBondContact OG1-N 2.69Å; T186-R188 PolarHBondContact OG1-O 2.92Å; T186-R188 VanDerWaalsContact OG1-O 3.11Å |
| 189 | A | 77.4 | Confident | 79.6 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 8% | 0.083 | 26% | 0.255 | C | S | . | . | trans | -49.4 | 133.8 | 159 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q191 T207 | A189-Q191 PolarHBondContact O-N 2.79Å; A189-Q191 VanDerWaalsContact O-N 3.15Å; A189-T207 PolarHBondContact N-OG1 2.98Å | ||
| 190 | P | 70.4 | Confident | 78 | Confident | 14 Ų | 14 | 58.2 Ų | 58.2 | 9% | 0.091 | 30% | 0.297 | C | S | . | . | trans | -51.3 | 124.8 | 174.7 | -24.3 | 30 | 0 | 0 | 0 | 110.3 | Y182 G192 | Y182-P190 HydrophobicContact CD1-CB 4.31Å; Y182-P190 HydrophobicContact CD1-CG 3.62Å; Y182-P190 HydrophobicContact CE1-CB 4.22Å; Y182-P190 HydrophobicContact CE1-CG 4.01Å; Y182-P190 HydrophobicContact CG-CG 4.26Å; P190-G192 PolarHBondContact O-N 2.81Å | ||
| 191 | Q | 61.4 | Low | 76.3 | Confident | 171 Ų | 171 | 60.2 Ų | 60.2 | 80% | 0.799 | 31% | 0.308 | S | S | * | . | trans | -79.8 | 8.9 | 179.5 | -65.5 | -172.1 | -22.4 | 0 | 0 | 112.6 | A189 | A189-Q191 PolarHBondContact O-N 2.79Å; A189-Q191 VanDerWaalsContact O-N 3.15Å | ||
| 192 | G | 56 | Low | 74.4 | Confident | 45 Ų | 45 | 63 Ų | 63 | 46% | 0.464 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -72.2 | 164.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P190 N194 | P190-G192 PolarHBondContact O-N 2.81Å; G192-N194 PolarHBondContact O-N 2.83Å |
| 193 | K | 63.4 | Low | 73 | Confident | 146 Ų | 146 | 61.7 Ų | 61.7 | 64% | 0.635 | 32% | 0.323 | S | S | * | . | trans | -54 | 112.1 | 174.1 | -162.6 | -172.9 | -171.6 | -161.8 | 0 | 108.7 | E45 I195 | E45-K193 WeakPolarHBondContact OE1-CE 3.43Å; E45-K193 IonicContact OE1-NZ 3.93Å; E45-K193 PolarHBondContact OE1-NZ 2.95Å; K193-I195 PolarHBondContact O-N 2.85Å | ||
| 194 | N | 70.9 | Confident | 72.2 | Confident | 20 Ų | 20 | 66.2 Ų | 66.2 | 11% | 0.107 | 35% | 0.347 | C | S | . | . | trans | -73.1 | 121.4 | 178.9 | -174.2 | -35.4 | 0 | 0 | 0 | 108.8 | G192 Y196 Y197 K198 Y285 | G192-N194 PolarHBondContact O-N 2.83Å; N194-Y196 PolarHBondContact O-N 3.42Å; N194-Y196 PolarHBondContact OD1-N 3.09Å; N194-Y197 WeakPolarHBondContact CB-O 3.48Å; N194-Y197 WeakPolarHBondContact ND2-CD2 3.48Å; N194-Y197 PolarHBondContact O-N 2.96Å; N194-Y197 WeakPolarHBondContact OD1-CD2 3.46Å; N194-Y197 PolarHBondContact OD1-N 3.31Å; N194-K198 WeakPolarHBondContact O-CG 3.44Å; N194-Y285 PolarHBondContact ND2-OH 2.86Å; N194-Y285 WeakPolarHBondContact OD1-CE2 3.45Å; N194-Y285 PolarHBondContact OD1-OH 3.41Å | ||
| 195 | I | 75.9 | Confident | 71.6 | Confident | 13 Ų | 13 | 67.6 Ų | 67.6 | 7% | 0.067 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -67 | -20.6 | -176.1 | 67.5 | -171 | 0 | 0 | 0 | 113.4 | E45 K193 D271 F272 Y285 | E45-I195 WeakPolarHBondContact OE2-CA 3.42Å; K193-I195 PolarHBondContact O-N 2.85Å; I195-D271 HydrophobicContact CD1-CB 4.15Å; I195-D271 HydrophobicContact CG2-CB 4.06Å; I195-F272 HydrophobicContact CD1-CD2 3.76Å; I195-F272 HydrophobicContact CD1-CE2 3.5Å; I195-F272 VanDerWaalsContact CD1-CE2 3.5Å; I195-F272 HydrophobicContact CG1-CE2 4.11Å; I195-Y285 HydrophobicContact CD1-CD2 3.7Å; I195-Y285 HydrophobicContact CD1-CG 4.07Å; I195-Y285 HydrophobicContact CG1-CD2 3.75Å; I195-Y285 HydrophobicContact CG1-CE2 4.14Å; I195-Y285 HydrophobicContact CG1-CG 4.47Å |
| 196 | Y | 71.9 | Confident | 71.3 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | S | Bend | trans | -104.8 | -18.1 | -179.5 | -67.1 | -65.7 | 0 | 0 | 0 | 113.9 | R42 Y46 L139 D176 N194 F272 Y285 | R42-Y196 WeakPolarHBondContact CD-O 3.42Å; R42-Y196 WeakPolarHBondContact CG-O 3.25Å; R42-Y196 PolarHBondContact NH1-O 3.06Å; Y46-Y196 HydrophobicContact CD1-CD1 4.39Å; Y46-Y196 HydrophobicContact CD1-CE1 4.26Å; Y46-Y196 AromaticContact CE1-CD1 3.81Å; Y46-Y196 HydrophobicContact CE1-CD1 3.81Å; Y46-Y196 AromaticContact CE1-CE1 3.93Å; Y46-Y196 HydrophobicContact CE1-CE1 3.93Å; L139-Y196 HydrophobicContact CB-CE1 4.41Å; D176-Y196 WeakPolarHBondContact OD2-CE2 3.4Å; D176-Y196 PolarHBondContact OD2-OH 3.04Å; N194-Y196 PolarHBondContact O-N 3.42Å; N194-Y196 PolarHBondContact OD1-N 3.09Å; Y196-F272 HydrophobicContact CE1-CE2 4.15Å; Y196-F272 AromaticContact CE1-CZ 3.86Å; Y196-F272 HydrophobicContact CE1-CZ 3.86Å; Y196-F272 AromaticContact CZ-CE2 3.92Å; Y196-F272 AromaticContact CZ-CZ 3.63Å; Y196-F272 WeakPolarHBondContact OH-CZ 3.34Å; Y196-Y285 AromaticContact CD2-CD1 3.87Å; Y196-Y285 HydrophobicContact CD2-CD1 3.87Å; Y196-Y285 AromaticContact CD2-CD2 4Å; Y196-Y285 HydrophobicContact CD2-CD2 4Å; Y196-Y285 AromaticContact CD2-CE1 3.65Å; Y196-Y285 HydrophobicContact CD2-CE1 3.65Å; Y196-Y285 AromaticContact CD2-CE2 3.82Å; Y196-Y285 HydrophobicContact CD2-CE2 3.82Å; Y196-Y285 HydrophobicContact CD2-CG 4.05Å; Y196-Y285 AromaticContact CD2-CZ 3.65Å; Y196-Y285 AromaticContact CE2-CD1 3.67Å; Y196-Y285 HydrophobicContact CE2-CD1 3.67Å; Y196-Y285 HydrophobicContact CE2-CD2 4.14Å; Y196-Y285 AromaticContact CE2-CE1 3.93Å; Y196-Y285 HydrophobicContact CE2-CE1 3.93Å; Y196-Y285 HydrophobicContact CE2-CE2 4.41Å; Y196-Y285 AromaticContact CE2-CG 3.8Å; Y196-Y285 HydrophobicContact CE2-CG 3.8Å |
| 197 | Y | 69.1 | Low | 71.3 | Confident | 24 Ų | 24 | 61.6 Ų | 61.6 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | trans | -139.6 | 97.6 | -170.8 | -54.3 | -79.8 | 0 | 0 | 0 | 110.1 | W32 Y35 I36 N194 | W32-Y197 HydrophobicContact CH2-CD1 4.37Å; W32-Y197 AromaticContact CH2-CE1 3.39Å; W32-Y197 HydrophobicContact CH2-CE1 3.39Å; W32-Y197 AromaticContact CH2-CZ 3.6Å; W32-Y197 WeakPolarHBondContact CH2-OH 3.12Å; W32-Y197 AromaticContact CZ2-CE1 3.39Å; W32-Y197 HydrophobicContact CZ2-CE1 3.39Å; W32-Y197 AromaticContact CZ2-CZ 3.69Å; W32-Y197 VanDerWaalsContact CZ2-OH 3.22Å; W32-Y197 WeakPolarHBondContact CZ2-OH 3.39Å; W32-Y197 HydrophobicContact CZ3-CE1 4.19Å; Y35-Y197 AromaticContact CD1-CD1 3.36Å; Y35-Y197 HydrophobicContact CD1-CD1 3.36Å; Y35-Y197 AromaticContact CD1-CE1 3.73Å; Y35-Y197 HydrophobicContact CD1-CE1 3.73Å; Y35-Y197 HydrophobicContact CD1-CG 4.07Å; Y35-Y197 AromaticContact CE1-CD1 3.08Å; Y35-Y197 HydrophobicContact CE1-CD1 3.08Å; Y35-Y197 AromaticContact CE1-CD2 3.97Å; Y35-Y197 HydrophobicContact CE1-CD2 3.97Å; Y35-Y197 AromaticContact CE1-CE1 3.45Å; Y35-Y197 HydrophobicContact CE1-CE1 3.45Å; Y35-Y197 VanDerWaalsContact CE1-CE1 3.45Å; Y35-Y197 HydrophobicContact CE1-CE2 4.27Å; Y35-Y197 AromaticContact CE1-CG 3.38Å; Y35-Y197 HydrophobicContact CE1-CG 3.38Å; Y35-Y197 HydrophobicContact CG-CD1 4.46Å; Y35-Y197 AromaticContact CZ-CD1 3.98Å; Y35-Y197 AromaticContact CZ-CG 3.82Å; I36-Y197 HydrophobicContact CB-CD1 4.47Å; I36-Y197 HydrophobicContact CG1-CD1 3.92Å; I36-Y197 HydrophobicContact CG1-CE1 3.85Å; N194-Y197 WeakPolarHBondContact CB-O 3.48Å; N194-Y197 WeakPolarHBondContact ND2-CD2 3.48Å; N194-Y197 PolarHBondContact O-N 2.96Å; N194-Y197 WeakPolarHBondContact OD1-CD2 3.46Å; N194-Y197 PolarHBondContact OD1-N 3.31Å | ||
| 198 | K | 65.8 | Low | 71.5 | Confident | 37 Ų | 37 | 62 Ų | 62 | 16% | 0.161 | 33% | 0.326 | C | S | . | . | trans | -118.4 | 43.8 | -175.3 | -61.8 | 178.8 | -175.7 | 171.6 | 0 | 112.2 | I36 S41 E45 N194 D200 | I36-K198 PolarHBondContact O-N 3.18Å; S41-K198 PolarHBondContact O-NZ 3.03Å; E45-K198 WeakPolarHBondContact OE1-CE 3.49Å; E45-K198 IonicContact OE1-NZ 3Å; E45-K198 PolarHBondContact OE1-NZ 3.11Å; E45-K198 WeakPolarHBondContact OE2-CE 3.35Å; E45-K198 IonicContact OE2-NZ 2.8Å; N194-K198 WeakPolarHBondContact O-CG 3.44Å; K198-D200 PolarHBondContact O-N 3.26Å | ||
| 199 | S | 61.9 | Low | 72 | Confident | 19 Ų | 19 | 56.5 Ų | 56.5 | 13% | 0.133 | 31% | 0.31 | C | S | . | . | trans | -72.4 | 126 | 175.2 | 167.6 | 0 | 0 | 0 | 0 | 109.2 | L34 Y35 L201 Q203 | L34-S199 WeakPolarHBondContact O-CB 3.18Å; L34-S199 PolarHBondContact O-OG 3.25Å; Y35-S199 VanDerWaalsContact O-CB 3.29Å; Y35-S199 WeakPolarHBondContact O-CB 3.11Å; S199-L201 PolarHBondContact O-N 3.26Å; S199-L201 VanDerWaalsContact OG-CB 3.29Å; S199-L201 WeakPolarHBondContact OG-CB 3.19Å; S199-L201 WeakPolarHBondContact OG-CD1 3.26Å; S199-L201 VanDerWaalsContact OG-CG 3.25Å; S199-L201 WeakPolarHBondContact OG-CG 3.26Å; S199-L201 PolarHBondContact OG-N 2.98Å; S199-Q203 VanDerWaalsContact CB-NE2 3.32Å | ||
| 200 | D | 59.7 | Low | 72.8 | Confident | 172 Ų | 172 | 59.6 Ų | 59.6 | 92% | 0.92 | 33% | 0.325 | S | S | * | . | trans | -68.1 | -5 | 174.2 | -64.1 | -41.3 | 0 | 0 | 0 | 112.2 | K198 | K198-D200 PolarHBondContact O-N 3.26Š| ||
| 201 | L | 61.9 | Low | 74 | Confident | 43 Ų | 43 | 64.6 Ų | 64.6 | 23% | 0.225 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -67.5 | 139.5 | 176 | -58.9 | 170.1 | 0 | 0 | 0 | 109.2 | L34 S199 Q203 V225 Q226 P228 | L34-L201 HydrophobicContact CB-CD1 4.01Å; S199-L201 PolarHBondContact O-N 3.26Å; S199-L201 VanDerWaalsContact OG-CB 3.29Å; S199-L201 WeakPolarHBondContact OG-CB 3.19Å; S199-L201 WeakPolarHBondContact OG-CD1 3.26Å; S199-L201 VanDerWaalsContact OG-CG 3.25Å; S199-L201 WeakPolarHBondContact OG-CG 3.26Å; S199-L201 PolarHBondContact OG-N 2.98Å; L201-Q203 WeakPolarHBondContact O-CG 3.35Å; L201-Q203 PolarHBondContact O-N 2.79Å; L201-V225 HydrophobicContact CB-CG1 4.37Å; L201-V225 HydrophobicContact CD1-CG1 3.93Å; L201-Q226 WeakPolarHBondContact CD1-O 3.24Å; L201-P228 HydrophobicContact CD2-CG 3.92Å |
| 202 | T | 53.5 | Low | 75.5 | Confident | 91 Ų | 91 | 59.4 Ų | 59.4 | 56% | 0.558 | 32% | 0.322 | S | S | * | . | trans | -57.8 | 113.5 | 174.8 | -48.6 | 0 | 0 | 0 | 0 | 108.9 | Q226 | T202-Q226 PolarHBondContact OG1-OE1 3.19Å; T202-Q226 VanDerWaalsContact OG1-OE1 3.08Å | ||
| 203 | Q | 64.8 | Low | 77.3 | Confident | 55 Ų | 55 | 64.5 Ų | 64.5 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 114.9 | 177.1 | -70.8 | 176.2 | 29.8 | 0 | 0 | 109 | S199 L201 T224 | S199-Q203 VanDerWaalsContact CB-NE2 3.32Å; L201-Q203 WeakPolarHBondContact O-CG 3.35Å; L201-Q203 PolarHBondContact O-N 2.79Å; Q203-T224 WeakPolarHBondContact CA-O 3.31Å |
| 204 | D | 77.7 | Confident | 78.6 | Confident | 95 Ų | 95 | 64.3 Ų | 64.3 | 51% | 0.508 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 128.6 | 159.4 | -174.8 | 50.1 | 0 | 0 | 0 | 108.5 | T224 | D204-T224 PolarHBondContact N-O 2.84Å; D204-T224 PolarHBondContact O-N 3.17Å |
| 205 | I | 81.9 | Confident | 79.7 | Confident | 46 Ų | 46 | 70.6 Ų | 70.6 | 24% | 0.236 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 103.8 | 176.8 | -56 | 179.5 | 0 | 0 | 0 | 107.7 | L221 D222 Y223 | I205-L221 HydrophobicContact CG2-CB 4.16Å; I205-L221 HydrophobicContact CG2-CD2 4.12Å; I205-D222 WeakPolarHBondContact CA-O 3.4Å; I205-Y223 HydrophobicContact CD1-CD1 3.97Å; I205-Y223 HydrophobicContact CD1-CE1 3.8Å; I205-Y223 HydrophobicContact CG1-CD1 3.93Å; I205-Y223 HydrophobicContact CG1-CE1 4.2Å; I205-Y223 HydrophobicContact CG2-CE1 4.41Å |
| 206 | T | 87.8 | Confident | 80.5 | Confident | 69 Ų | 69 | 71.2 Ų | 71.2 | 42% | 0.423 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.2 | 170.4 | -65.7 | 0 | 0 | 0 | 0 | 109 | L221 D222 | T206-L221 WeakPolarHBondContact O-CA 3.45Å; T206-D222 PolarHBondContact N-O 3.24Å; T206-D222 VanDerWaalsContact N-O 3.08Å; T206-D222 PolarHBondContact O-N 3.45Å |
| 207 | T | 91.6 | Very high | 81.5 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 18% | 0.178 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 123.8 | 179.4 | -57 | 0 | 0 | 0 | 0 | 109.8 | I183 A189 V209 I219 L221 | I183-T207 HydrophobicContact CG2-CG2 3.81Å; A189-T207 PolarHBondContact N-OG1 2.98Å; T207-V209 HydrophobicContact CG2-CG2 4.4Å; T207-I219 HydrophobicContact CG2-CG2 4.16Å; T207-L221 HydrophobicContact CG2-CD2 3.89Å |
| 208 | S | 93.8 | Very high | 82.8 | Confident | 42 Ų | 42 | 73.3 Ų | 73.3 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.6 | 172.4 | -61.4 | 0 | 0 | 0 | 0 | 109.8 | I219 T220 | S208-I219 CarbonylContact O-C 3.56Å; S208-I219 WeakPolarHBondContact O-CA 3.27Å; S208-T220 PolarHBondContact N-O 2.77Å; S208-T220 PolarHBondContact O-N 3.34Å |
| 209 | V | 94.9 | Very high | 84.2 | Confident | 45 Ų | 45 | 71.6 Ų | 71.6 | 27% | 0.273 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 121.6 | 178.1 | -170.4 | 0 | 0 | 0 | 0 | 109.3 | L184 T207 W211 I219 | L184-V209 HydrophobicContact CD2-CG1 3.73Å; T207-V209 HydrophobicContact CG2-CG2 4.4Å; V209-W211 HydrophobicContact CG1-CZ2 4.46Å; V209-I219 HydrophobicContact CG1-CG1 4.3Å; V209-I219 HydrophobicContact CG2-CG1 4.3Å |
| 210 | L | 94.8 | Very high | 85.7 | Confident | 75 Ų | 75 | 71.4 Ų | 71.4 | 39% | 0.393 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.7 | 174.2 | 178.5 | 63.2 | 0 | 0 | 0 | 110 | V212 H217 M218 | L210-V212 HydrophobicContact CG-CG2 4.32Å; L210-H217 PolarHBondContact O-N 3.31Å; L210-M218 HydrophobicContact CB-CB 4.13Å; L210-M218 HydrophobicContact CD2-CB 4.33Å; L210-M218 PolarHBondContact N-O 3.19Å; L210-M218 PolarHBondContact O-N 2.98Å |
| 211 | W | 94.5 | Very high | 87.1 | Confident | 119 Ų | 119 | 63.2 Ų | 63.2 | 45% | 0.451 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 134.2 | 172.5 | -63.3 | 82 | 0 | 0 | 0 | 109.7 | L184 V209 K215 P216 | L184-W211 HydrophobicContact CD2-CZ2 4.35Å; V209-W211 HydrophobicContact CG1-CZ2 4.46Å; W211-K215 WeakPolarHBondContact CA-O 3.21Å; W211-P216 HydrophobicContact CE3-CB 4.28Å; W211-P216 HydrophobicContact CH2-CB 4.29Å; W211-P216 HydrophobicContact CZ3-CB 4.15Å; W211-P216 HydrophobicContact CZ3-CG 4.27Å |
| 212 | V | 93.6 | Very high | 88.3 | Confident | 63 Ų | 63 | 63 Ų | 63 | 38% | 0.382 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 118.7 | 173.2 | -179.1 | 0 | 0 | 0 | 0 | 106.7 | L210 N214 K215 H217 | L210-V212 HydrophobicContact CG-CG2 4.32Å; V212-N214 VanDerWaalsContact C-N 3.29Å; V212-N214 PolarHBondContact O-N 3.45Å; V212-K215 PolarHBondContact N-O 2.95Å; V212-K215 WeakPolarHBondContact O-CB 3.37Å; V212-K215 PolarHBondContact O-N 3.39Å; V212-H217 HydrophobicContact CB-CB 4.24Å; V212-H217 HydrophobicContact CG2-CB 3.75Å |
| 213 | D | 93.5 | Very high | 89.6 | Confident | 151 Ų | 151 | 59 Ų | 59 | 81% | 0.807 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 47.7 | -178.2 | -57.8 | -31 | 0 | 0 | 0 | 113.7 | K215 | D213-K215 PolarHBondContact O-N 2.82Š|
| 214 | N | 91.4 | Very high | 90.5 | Very high | 143 Ų | 143 | 57.4 Ų | 57.4 | 77% | 0.765 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 19.9 | -178.3 | -161.4 | 41 | 0 | 0 | 0 | 114.6 | V212 | V212-N214 VanDerWaalsContact C-N 3.29Å; V212-N214 PolarHBondContact O-N 3.45Å |
| 215 | K | 92.9 | Very high | 90.4 | Very high | 151 Ų | 151 | 52.9 Ų | 52.9 | 66% | 0.657 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 133.8 | 171.5 | -63.5 | 179.1 | -178.5 | 176.7 | 0 | 110.2 | W211 V212 D213 H217 | W211-K215 WeakPolarHBondContact CA-O 3.21Å; V212-K215 PolarHBondContact N-O 2.95Å; V212-K215 WeakPolarHBondContact O-CB 3.37Å; V212-K215 PolarHBondContact O-N 3.39Å; D213-K215 PolarHBondContact O-N 2.82Å; K215-H217 PolarHBondContact O-N 3.27Å |
| 216 | P | 94.1 | Very high | 90.1 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 120.1 | 175.5 | 30.7 | -33.7 | 0 | 0 | 0 | 108.5 | L184 W211 P246 | L184-P216 HydrophobicContact CD1-CB 3.93Å; L184-P216 HydrophobicContact CD1-CG 3.78Å; L184-P216 HydrophobicContact CD2-CB 3.48Å; L184-P216 VanDerWaalsContact CD2-CB 3.48Å; L184-P216 HydrophobicContact CD2-CG 4.27Å; L184-P216 HydrophobicContact CG-CB 4.36Å; W211-P216 HydrophobicContact CE3-CB 4.28Å; W211-P216 HydrophobicContact CH2-CB 4.29Å; W211-P216 HydrophobicContact CZ3-CB 4.15Å; W211-P216 HydrophobicContact CZ3-CG 4.27Å; P216-P246 HydrophobicContact CB-CG 3.86Å; P216-P246 HydrophobicContact CG-CG 4.35Å |
| 217 | H | 93.2 | Very high | 89.4 | Confident | 50 Ų | 50 | 52 Ų | 52 | 23% | 0.231 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | -35.7 | -173 | -173.5 | 73.2 | 0 | 0 | 0 | 112.1 | D148 L210 V212 K215 | D148-H217 PolarHBondContact O-CE1 3Å; L210-H217 PolarHBondContact O-N 3.31Å; V212-H217 HydrophobicContact CB-CB 4.24Å; V212-H217 HydrophobicContact CG2-CB 3.75Å; K215-H217 PolarHBondContact O-N 3.27Å |
| 218 | M | 95.5 | Very high | 88.2 | Confident | 18 Ų | 18 | 54.7 Ų | 54.7 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.5 | 140.5 | -175.7 | -168.5 | 176.3 | -61.2 | 0 | 0 | 110.9 | L210 Y244 | L210-M218 HydrophobicContact CB-CB 4.13Å; L210-M218 HydrophobicContact CD2-CB 4.33Å; L210-M218 PolarHBondContact N-O 3.19Å; L210-M218 PolarHBondContact O-N 2.98Å; M218-Y244 WeakPolarHBondContact CA-O 3.41Å |
| 219 | I | 94.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 128 | 165.1 | -70.7 | 170 | 0 | 0 | 0 | 107.8 | Y180 I183 L184 T207 S208 V209 L221 S243 Y244 P246 | Y180-I219 HydrophobicContact CD1-CD1 3.41Å; Y180-I219 VanDerWaalsContact CD1-CD1 3.41Å; Y180-I219 HydrophobicContact CE1-CD1 3.95Å; Y180-I219 HydrophobicContact CG-CD1 4.36Å; I183-I219 HydrophobicContact CB-CD1 4.12Å; I183-I219 HydrophobicContact CG2-CD1 3.67Å; I183-I219 HydrophobicContact CG2-CG2 4.4Å; L184-I219 HydrophobicContact CD2-CD1 4.03Å; L184-I219 HydrophobicContact CD2-CG1 4.48Å; L184-I219 HydrophobicContact CG-CD1 4.38Å; T207-I219 HydrophobicContact CG2-CG2 4.16Å; S208-I219 CarbonylContact O-C 3.56Å; S208-I219 WeakPolarHBondContact O-CA 3.27Å; V209-I219 HydrophobicContact CG1-CG1 4.3Å; V209-I219 HydrophobicContact CG2-CG1 4.3Å; I219-L221 HydrophobicContact CG2-CD2 3.89Å; I219-L221 HydrophobicContact CG2-CG 4.24Å; I219-S243 CarbonylContact O-C 3.54Å; I219-S243 WeakPolarHBondContact O-CA 3.28Å; I219-Y244 PolarHBondContact N-O 2.78Å; I219-Y244 PolarHBondContact O-N 2.85Å; I219-P246 HydrophobicContact CD1-CB 3.61Å; I219-P246 HydrophobicContact CG1-CB 4.04Å |
| 220 | T | 93.1 | Very high | 84.9 | Confident | 15 Ų | 15 | 57.7 Ų | 57.7 | 9% | 0.092 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 129.1 | 175.8 | -61.5 | 0 | 0 | 0 | 0 | 108.9 | S208 R241 L242 S243 | S208-T220 PolarHBondContact N-O 2.77Å; S208-T220 PolarHBondContact O-N 3.34Å; T220-R241 VanDerWaalsContact CG2-CD 3.41Å; T220-R241 HydrophobicContact CG2-CG 3.37Å; T220-L242 WeakPolarHBondContact CA-O 3.24Å; T220-S243 PolarHBondContact OG1-OG 2.86Å; T220-S243 VanDerWaalsContact OG1-OG 3.06Å |
| 221 | L | 89.3 | Confident | 83 | Confident | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.005 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 119 | 176.9 | -57.3 | -178.5 | 0 | 0 | 0 | 108.7 | I205 T206 T207 I219 Y223 R241 L242 Y244 | I205-L221 HydrophobicContact CG2-CB 4.16Å; I205-L221 HydrophobicContact CG2-CD2 4.12Å; T206-L221 WeakPolarHBondContact O-CA 3.45Å; T207-L221 HydrophobicContact CG2-CD2 3.89Å; I219-L221 HydrophobicContact CG2-CD2 3.89Å; I219-L221 HydrophobicContact CG2-CG 4.24Å; L221-Y223 HydrophobicContact CB-CD2 4.27Å; L221-Y223 HydrophobicContact CB-CE2 3.51Å; L221-Y223 WeakPolarHBondContact CD1-OH 3.48Å; L221-Y223 WeakPolarHBondContact O-CD2 3.35Å; L221-R241 WeakPolarHBondContact O-CA 3.37Å; L221-L242 PolarHBondContact N-O 3.39Å; L221-L242 PolarHBondContact O-N 3.01Å; L221-Y244 HydrophobicContact CB-CE2 4.15Å; L221-Y244 HydrophobicContact CD1-CD2 4.13Å; L221-Y244 HydrophobicContact CD1-CE2 3.67Å; L221-Y244 HydrophobicContact CG-CD2 4.15Å; L221-Y244 HydrophobicContact CG-CE2 3.89Å |
| 222 | D | 87.1 | Confident | 81 | Confident | 37 Ų | 37 | 64.7 Ų | 64.7 | 20% | 0.198 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 110.1 | 171.9 | -73 | -65.9 | 0 | 0 | 0 | 108.6 | I205 T206 R241 | I205-D222 WeakPolarHBondContact CA-O 3.4Å; T206-D222 PolarHBondContact N-O 3.24Å; T206-D222 VanDerWaalsContact N-O 3.08Å; T206-D222 PolarHBondContact O-N 3.45Å; D222-R241 VanDerWaalsContact CG-NH2 3.32Å; D222-R241 IonicContact OD1-CZ 3.23Å; D222-R241 IonicContact OD1-NE 3.32Å; D222-R241 PolarHBondContact OD1-NE 3.06Å; D222-R241 IonicContact OD1-NH2 3.53Å; D222-R241 PolarHBondContact OD1-NH2 3.45Å; D222-R241 VanDerWaalsContact OD1-NH2 3.09Å; D222-R241 IonicContact OD2-CZ 3.39Å; D222-R241 IonicContact OD2-NE 2.72Å; D222-R241 PolarHBondContact OD2-NE 3.12Å; D222-R241 IonicContact OD2-NH2 3.09Å; D222-R241 PolarHBondContact OD2-NH2 3.49Å |
| 223 | Y | 82.4 | Confident | 79.3 | Confident | 8 Ų | 8 | 64.3 Ų | 64.3 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 123.7 | 179.8 | -60.8 | -90.4 | 0 | 0 | 0 | 109.3 | Y35 I205 L221 K239 F240 L242 Y244 | Y35-Y223 HydrophobicContact CD2-CD1 4.3Å; Y35-Y223 HydrophobicContact CE1-CE1 4.47Å; Y35-Y223 AromaticContact CE2-CD1 3.56Å; Y35-Y223 HydrophobicContact CE2-CD1 3.56Å; Y35-Y223 AromaticContact CE2-CE1 3.73Å; Y35-Y223 HydrophobicContact CE2-CE1 3.73Å; Y35-Y223 AromaticContact CZ-CD1 3.91Å; Y35-Y223 AromaticContact CZ-CE1 3.58Å; Y35-Y223 VanDerWaalsContact OH-CE1 3.27Å; Y35-Y223 WeakPolarHBondContact OH-CE1 3.48Å; I205-Y223 HydrophobicContact CD1-CD1 3.97Å; I205-Y223 HydrophobicContact CD1-CE1 3.8Å; I205-Y223 HydrophobicContact CG1-CD1 3.93Å; I205-Y223 HydrophobicContact CG1-CE1 4.2Å; I205-Y223 HydrophobicContact CG2-CE1 4.41Å; L221-Y223 HydrophobicContact CB-CD2 4.27Å; L221-Y223 HydrophobicContact CB-CE2 3.51Å; L221-Y223 WeakPolarHBondContact CD1-OH 3.48Å; L221-Y223 WeakPolarHBondContact O-CD2 3.35Å; Y223-K239 VanDerWaalsContact O-CA 3.28Å; Y223-K239 WeakPolarHBondContact O-CA 3.37Å; Y223-F240 VanDerWaalsContact CB-CZ 3.48Å; Y223-F240 HydrophobicContact CD1-CZ 4.24Å; Y223-F240 AromaticContact CD2-CD2 3.82Å; Y223-F240 HydrophobicContact CD2-CD2 3.82Å; Y223-F240 AromaticContact CD2-CE2 3.35Å; Y223-F240 HydrophobicContact CD2-CE2 3.35Å; Y223-F240 AromaticContact CD2-CZ 3.84Å; Y223-F240 HydrophobicContact CD2-CZ 3.84Å; Y223-F240 AromaticContact CE2-CE2 4Å; Y223-F240 HydrophobicContact CE2-CE2 4Å; Y223-F240 HydrophobicContact CG-CD2 4.31Å; Y223-F240 HydrophobicContact CG-CE1 4.21Å; Y223-F240 AromaticContact CG-CE2 3.65Å; Y223-F240 HydrophobicContact CG-CE2 3.65Å; Y223-F240 AromaticContact CG-CZ 3.59Å; Y223-F240 HydrophobicContact CG-CZ 3.59Å; Y223-F240 PolarHBondContact N-O 3.03Å; Y223-F240 PolarHBondContact O-N 3.44Å; Y223-F240 VanDerWaalsContact O-N 3.08Å; Y223-L242 HydrophobicContact CE2-CB 4.1Å; Y223-L242 HydrophobicContact CE2-CD1 3.99Å; Y223-L242 HydrophobicContact CE2-CG 4.2Å; Y223-Y244 PolarHBondContact OH-OH 3.38Å |
| 224 | T | 81.9 | Confident | 77.7 | Confident | 21 Ų | 21 | 61.9 Ų | 61.9 | 13% | 0.129 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 112.3 | 168.4 | -57.6 | 0 | 0 | 0 | 0 | 108.3 | Q203 D204 L237 K239 | Q203-T224 WeakPolarHBondContact CA-O 3.31Å; D204-T224 PolarHBondContact N-O 2.84Å; D204-T224 PolarHBondContact O-N 3.17Å; T224-L237 HydrophobicContact CG2-CB 4.25Å; T224-L237 HydrophobicContact CG2-CD1 4.35Å; T224-L237 HydrophobicContact CG2-CD2 3.99Å; T224-L237 HydrophobicContact CG2-CG 4.44Å; T224-K239 HydrophobicContact CG2-CG 4.12Å; T224-K239 WeakPolarHBondContact OG1-CE 3.41Å |
| 225 | V | 77.1 | Confident | 76.5 | Confident | 1 Ų | 1 | 58.9 Ų | 58.9 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 129.4 | -178.4 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | Y35 L201 V227 S238 F240 | Y35-V225 HydrophobicContact CD2-CG2 4.24Å; L201-V225 HydrophobicContact CB-CG1 4.37Å; L201-V225 HydrophobicContact CD1-CG1 3.93Å; V225-V227 PolarHBondContact O-N 3.3Å; V225-S238 PolarHBondContact N-O 2.85Å; V225-S238 PolarHBondContact O-N 2.93Å; V225-F240 HydrophobicContact CG2-CE1 3.9Å |
| 226 | Q | 75.6 | Confident | 75.7 | Confident | 67 Ų | 67 | 57.1 Ų | 57.1 | 31% | 0.313 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 118.1 | 169 | -78.9 | 176.5 | -12.7 | 0 | 0 | 109.9 | L201 T202 P228 L237 | L201-Q226 WeakPolarHBondContact CD1-O 3.24Å; T202-Q226 PolarHBondContact OG1-OE1 3.19Å; T202-Q226 VanDerWaalsContact OG1-OE1 3.08Å; Q226-P228 WeakPolarHBondContact O-CD 3.41Å; Q226-L237 HydrophobicContact CB-CD2 4.44Å; Q226-L237 HydrophobicContact CG-CD2 3.43Å; Q226-L237 VanDerWaalsContact CG-CD2 3.43Å |
| 227 | V | 72.4 | Confident | 74.9 | Confident | 30 Ų | 30 | 60.4 Ų | 60.4 | 18% | 0.182 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119 | 173.5 | -179 | 0 | 0 | 0 | 0 | 107.7 | L34 V225 E229 E236 | L34-V227 HydrophobicContact CD1-CB 4.37Å; L34-V227 HydrophobicContact CD1-CG1 3.92Å; L34-V227 HydrophobicContact CD1-CG2 4Å; V225-V227 PolarHBondContact O-N 3.3Å; V227-E229 PolarHBondContact O-N 3.36Å; V227-E236 PolarHBondContact N-O 2.77Å; V227-E236 PolarHBondContact O-N 3.42Å |
| 228 | P | 66.7 | Low | 74.3 | Confident | 84 Ų | 84 | 59.3 Ų | 59.3 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -66 | 116.4 | 171.9 | -13.1 | 27.1 | 0 | 0 | 0 | 108.5 | L201 Q226 | L201-P228 HydrophobicContact CD2-CG 3.92Å; Q226-P228 WeakPolarHBondContact O-CD 3.41Å |
| 229 | E | 61.9 | Low | 73.6 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 47% | 0.467 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -93 | 168.8 | 162.9 | -70.8 | -159.7 | 145.5 | 0 | 0 | 110.3 | V227 S233 | V227-E229 PolarHBondContact O-N 3.36Å; E229-S233 WeakPolarHBondContact CB-OG 3.27Å; E229-S233 VanDerWaalsContact OE2-CB 3.25Å; E229-S233 WeakPolarHBondContact OE2-CB 3.22Å; E229-S233 PolarHBondContact OE2-OG 2.9Å |
| 230 | G | 57.6 | Low | 73 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 52% | 0.515 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 171.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q232 S233 | G230-Q232 PolarHBondContact O-N 3.46Å; G230-S233 PolarHBondContact O-N 3.23Å |
| 231 | P | 53.9 | Low | 72.7 | Confident | 144 Ų | 144 | 68 Ų | 68 | 94% | 0.935 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | 3.9 | -164.5 | 21.7 | -32.1 | 0 | 0 | 0 | 117.2 | ||
| 232 | Q | 53.9 | Low | 72.7 | Confident | 198 Ų | 198 | 67.9 Ų | 67.9 | 93% | 0.925 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.6 | 7.7 | -176.6 | -67.4 | -167 | -9.1 | 0 | 0 | 115.8 | G230 | G230-Q232 PolarHBondContact O-N 3.46Š|
| 233 | S | 57.1 | Low | 73 | Confident | 55 Ų | 55 | 66.6 Ų | 66.6 | 39% | 0.385 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -119.3 | 150.8 | 175.2 | 53.8 | 0 | 0 | 0 | 0 | 113.1 | E229 G230 | E229-S233 WeakPolarHBondContact CB-OG 3.27Å; E229-S233 VanDerWaalsContact OE2-CB 3.25Å; E229-S233 WeakPolarHBondContact OE2-CB 3.22Å; E229-S233 PolarHBondContact OE2-OG 2.9Å; G230-S233 PolarHBondContact O-N 3.23Å |
| 234 | S | 59.9 | Low | 73.6 | Confident | 100 Ų | 100 | 66.6 Ų | 66.6 | 70% | 0.699 | 37% | 0.373 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 139 | 172.6 | 50.2 | 0 | 0 | 0 | 0 | 110.2 | E236 | S234-E236 PolarHBondContact O-N 3.15Š|
| 235 | P | 66.1 | Low | 74.3 | Confident | 79 Ų | 79 | 67 Ų | 67 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -56.5 | 125.7 | -179.3 | 21.2 | -31 | 0 | 0 | 0 | 111.2 | ||
| 236 | E | 76.3 | Confident | 75.3 | Confident | 115 Ų | 115 | 67.2 Ų | 67.2 | 54% | 0.537 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 137.7 | 175.9 | -167.3 | -174.1 | -179.7 | 0 | 0 | 109.5 | V227 S234 | V227-E236 PolarHBondContact N-O 2.77Å; V227-E236 PolarHBondContact O-N 3.42Å; S234-E236 PolarHBondContact O-N 3.15Å |
| 237 | L | 77.6 | Confident | 76.3 | Confident | 96 Ų | 96 | 64 Ų | 64 | 50% | 0.503 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 113.7 | 172.8 | -65.7 | 175.5 | 0 | 0 | 0 | 109.5 | T224 Q226 | T224-L237 HydrophobicContact CG2-CB 4.25Å; T224-L237 HydrophobicContact CG2-CD1 4.35Å; T224-L237 HydrophobicContact CG2-CD2 3.99Å; T224-L237 HydrophobicContact CG2-CG 4.44Å; Q226-L237 HydrophobicContact CB-CD2 4.44Å; Q226-L237 HydrophobicContact CG-CD2 3.43Å; Q226-L237 VanDerWaalsContact CG-CD2 3.43Å |
| 238 | S | 79.3 | Confident | 77.5 | Confident | 27 Ų | 27 | 67.8 Ų | 67.8 | 19% | 0.189 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 132 | 167.9 | -163.5 | 0 | 0 | 0 | 0 | 110 | V225 | V225-S238 PolarHBondContact N-O 2.85Å; V225-S238 PolarHBondContact O-N 2.93Å |
| 239 | K | 81.9 | Confident | 78.9 | Confident | 139 Ų | 139 | 64.8 Ų | 64.8 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 132.3 | 175.7 | -64.8 | -172.8 | 178.9 | -174.8 | 0 | 110.7 | Y223 T224 | Y223-K239 VanDerWaalsContact O-CA 3.28Å; Y223-K239 WeakPolarHBondContact O-CA 3.37Å; T224-K239 HydrophobicContact CG2-CG 4.12Å; T224-K239 WeakPolarHBondContact OG1-CE 3.41Å |
| 240 | F | 82.4 | Confident | 80.6 | Confident | 11 Ų | 11 | 66 Ų | 66 | 5% | 0.048 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 155.8 | 170.2 | 67.4 | -86.1 | 0 | 0 | 0 | 110.6 | A28 V31 Y35 Y223 V225 L242 | A28-F240 HydrophobicContact CB-CD2 4.04Å; A28-F240 HydrophobicContact CB-CG 4.4Å; V31-F240 HydrophobicContact CG2-CD1 3.5Å; V31-F240 VanDerWaalsContact CG2-CD1 3.5Å; V31-F240 HydrophobicContact CG2-CE1 3.49Å; V31-F240 VanDerWaalsContact CG2-CE1 3.49Å; V31-F240 HydrophobicContact CG2-CG 4.38Å; V31-F240 HydrophobicContact CG2-CZ 4.38Å; Y35-F240 HydrophobicContact CD2-CZ 4.28Å; Y35-F240 HydrophobicContact CG-CZ 4.2Å; Y223-F240 VanDerWaalsContact CB-CZ 3.48Å; Y223-F240 HydrophobicContact CD1-CZ 4.24Å; Y223-F240 AromaticContact CD2-CD2 3.82Å; Y223-F240 HydrophobicContact CD2-CD2 3.82Å; Y223-F240 AromaticContact CD2-CE2 3.35Å; Y223-F240 HydrophobicContact CD2-CE2 3.35Å; Y223-F240 AromaticContact CD2-CZ 3.84Å; Y223-F240 HydrophobicContact CD2-CZ 3.84Å; Y223-F240 AromaticContact CE2-CE2 4Å; Y223-F240 HydrophobicContact CE2-CE2 4Å; Y223-F240 HydrophobicContact CG-CD2 4.31Å; Y223-F240 HydrophobicContact CG-CE1 4.21Å; Y223-F240 AromaticContact CG-CE2 3.65Å; Y223-F240 HydrophobicContact CG-CE2 3.65Å; Y223-F240 AromaticContact CG-CZ 3.59Å; Y223-F240 HydrophobicContact CG-CZ 3.59Å; Y223-F240 PolarHBondContact N-O 3.03Å; Y223-F240 PolarHBondContact O-N 3.44Å; Y223-F240 VanDerWaalsContact O-N 3.08Å; V225-F240 HydrophobicContact CG2-CE1 3.9Å; F240-L242 HydrophobicContact CD2-CD1 4.25Å; F240-L242 HydrophobicContact CD2-CG 4.09Å; F240-L242 HydrophobicContact CE2-CD1 3.84Å; F240-L242 HydrophobicContact CE2-CG 4.17Å |
| 241 | R | 86.1 | Confident | 82.5 | Confident | 64 Ų | 64 | 65.7 Ų | 65.7 | 24% | 0.242 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 132.9 | -174.4 | 174.7 | 174 | -77.1 | -168.7 | -6.3 | 109.2 | R8 T220 L221 D222 | R8-R241 PolarHBondContact O-NH1 3.21Å; T220-R241 VanDerWaalsContact CG2-CD 3.41Å; T220-R241 HydrophobicContact CG2-CG 3.37Å; L221-R241 WeakPolarHBondContact O-CA 3.37Å; D222-R241 VanDerWaalsContact CG-NH2 3.32Å; D222-R241 IonicContact OD1-CZ 3.23Å; D222-R241 IonicContact OD1-NE 3.32Å; D222-R241 PolarHBondContact OD1-NE 3.06Å; D222-R241 IonicContact OD1-NH2 3.53Å; D222-R241 PolarHBondContact OD1-NH2 3.45Å; D222-R241 VanDerWaalsContact OD1-NH2 3.09Å; D222-R241 IonicContact OD2-CZ 3.39Å; D222-R241 IonicContact OD2-NE 2.72Å; D222-R241 PolarHBondContact OD2-NE 3.12Å; D222-R241 IonicContact OD2-NH2 3.09Å; D222-R241 PolarHBondContact OD2-NH2 3.49Å |
| 242 | L | 88.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.4 | 170.4 | -61.2 | 172.3 | 0 | 0 | 0 | 109.7 | Q22 Y23 W32 T220 L221 Y223 F240 Y244 | Q22-L242 HydrophobicContact CB-CD2 4.2Å; Y23-L242 HydrophobicContact CE1-CD1 4.49Å; Y23-L242 HydrophobicContact CE1-CD2 4.05Å; W32-L242 HydrophobicContact CZ3-CD1 4.45Å; T220-L242 WeakPolarHBondContact CA-O 3.24Å; L221-L242 PolarHBondContact N-O 3.39Å; L221-L242 PolarHBondContact O-N 3.01Å; Y223-L242 HydrophobicContact CE2-CB 4.1Å; Y223-L242 HydrophobicContact CE2-CD1 3.99Å; Y223-L242 HydrophobicContact CE2-CG 4.2Å; F240-L242 HydrophobicContact CD2-CD1 4.25Å; F240-L242 HydrophobicContact CD2-CG 4.09Å; F240-L242 HydrophobicContact CE2-CD1 3.84Å; F240-L242 HydrophobicContact CE2-CG 4.17Å; L242-Y244 HydrophobicContact CB-CE2 3.64Å; L242-Y244 VanDerWaalsContact CB-OH 3.3Å; L242-Y244 WeakPolarHBondContact CB-OH 3.12Å; L242-Y244 WeakPolarHBondContact CD1-OH 3.05Å |
| 243 | S | 93.1 | Very high | 86.7 | Confident | 9 Ų | 9 | 53.8 Ų | 53.8 | 6% | 0.063 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 139.9 | -179.4 | -68.9 | 0 | 0 | 0 | 0 | 110.2 | T9 Q22 I219 T220 | T9-S243 PolarHBondContact O-OG 3.19Å; Q22-S243 PolarHBondContact NE2-O 3.24Å; Q22-S243 PolarHBondContact OE1-O 3.38Å; I219-S243 CarbonylContact O-C 3.54Å; I219-S243 WeakPolarHBondContact O-CA 3.28Å; T220-S243 PolarHBondContact OG1-OG 2.86Å; T220-S243 VanDerWaalsContact OG1-OG 3.06Å |
| 244 | Y | 95.4 | Very high | 88.6 | Confident | 9 Ų | 9 | 57.6 Ų | 57.6 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.1 | -171.4 | -54.6 | -87.1 | 0 | 0 | 0 | 111.2 | N141 A144 H145 Y180 M218 I219 L221 Y223 L242 | N141-Y244 WeakPolarHBondContact ND2-CD1 3.31Å; N141-Y244 WeakPolarHBondContact ND2-CE1 3.47Å; A144-Y244 HydrophobicContact CB-CD1 4.07Å; A144-Y244 CarbonylContact O-C 3.56Å; A144-Y244 VanDerWaalsContact O-CA 3.26Å; A144-Y244 WeakPolarHBondContact O-CA 3.37Å; H145-Y244 AromaticContact CD2-CE1 3.92Å; H145-Y244 AromaticContact CE1-CD1 3.97Å; H145-Y244 AromaticContact CE1-CE1 3.27Å; H145-Y244 WeakPolarHBondContact CE1-CE1 3.47Å; H145-Y244 AromaticContact CE1-CZ 3.74Å; H145-Y244 AromaticContact ND1-CE1 3.9Å; H145-Y244 AromaticContact NE2-CE1 3.24Å; H145-Y244 WeakPolarHBondContact NE2-CE1 3.4Å; H145-Y244 AromaticContact NE2-CZ 3.97Å; Y180-Y244 VanDerWaalsContact OH-CB 3.26Å; Y180-Y244 WeakPolarHBondContact OH-CB 3.29Å; M218-Y244 WeakPolarHBondContact CA-O 3.41Å; I219-Y244 PolarHBondContact N-O 2.78Å; I219-Y244 PolarHBondContact O-N 2.85Å; L221-Y244 HydrophobicContact CB-CE2 4.15Å; L221-Y244 HydrophobicContact CD1-CD2 4.13Å; L221-Y244 HydrophobicContact CD1-CE2 3.67Å; L221-Y244 HydrophobicContact CG-CD2 4.15Å; L221-Y244 HydrophobicContact CG-CE2 3.89Å; Y223-Y244 PolarHBondContact OH-OH 3.38Å; L242-Y244 HydrophobicContact CB-CE2 3.64Å; L242-Y244 VanDerWaalsContact CB-OH 3.3Å; L242-Y244 WeakPolarHBondContact CB-OH 3.12Å; L242-Y244 WeakPolarHBondContact CD1-OH 3.05Å |
| 245 | Y | 97.3 | Very high | 90.5 | Very high | 30 Ų | 30 | 53.5 Ų | 53.5 | 12% | 0.118 | 26% | 0.258 | C | S | . | . | trans | -77.2 | 128 | 164.9 | -173 | -89.6 | 0 | 0 | 0 | 110.1 | A144 D148 Q153 H247 | A144-Y245 PolarHBondContact O-N 2.83Å; D148-Y245 HydrophobicContact CB-CD2 3.68Å; D148-Y245 HydrophobicContact CB-CE2 3.42Å; D148-Y245 VanDerWaalsContact CB-CE2 3.42Å; Q153-Y245 PolarHBondContact NE2-OH 3.16Å; Y245-H247 VanDerWaalsContact C-N 3.32Å; Y245-H247 AromaticContact CD1-CD2 3.81Å; Y245-H247 AromaticContact CD1-CE1 3.3Å; Y245-H247 WeakPolarHBondContact CD1-CE1 3.17Å; Y245-H247 AromaticContact CD1-CG 3.71Å; Y245-H247 AromaticContact CD1-ND1 3.4Å; Y245-H247 WeakPolarHBondContact CD1-ND1 3.46Å; Y245-H247 AromaticContact CD1-NE2 3.56Å; Y245-H247 AromaticContact CE1-CE1 3.8Å; Y245-H247 AromaticContact CE1-ND1 3.63Å; Y245-H247 PolarHBondContact O-N 3.1Å | ||
| 246 | P | 97.2 | Very high | 92 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.032 | 23% | 0.233 | C | C | . | . | trans | -81.6 | 71.8 | -173.1 | 33.9 | -36.5 | 0 | 0 | 0 | 112.4 | Y180 L184 P216 I219 R248 | Y180-P246 HydrophobicContact CD1-CB 4.3Å; Y180-P246 HydrophobicContact CG-CB 4.24Å; L184-P246 HydrophobicContact CD1-CB 4.18Å; L184-P246 HydrophobicContact CD2-CB 4.22Å; L184-P246 HydrophobicContact CG-CB 4.39Å; P216-P246 HydrophobicContact CB-CG 3.86Å; P216-P246 HydrophobicContact CG-CG 4.35Å; I219-P246 HydrophobicContact CD1-CB 3.61Å; I219-P246 HydrophobicContact CG1-CB 4.04Å; P246-R248 PolarHBondContact O-N 3.19Å; P246-R248 VanDerWaalsContact O-N 3.09Å | ||
| 247 | H | 97.8 | Very high | 93 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | trans | -60.3 | 110.5 | 178.5 | -69.4 | -68.9 | 0 | 0 | 0 | 112 | F143 H177 Y180 Y245 F252 | F143-H247 AromaticContact CD1-NE2 3.59Å; F143-H247 AromaticContact CE1-CE1 3.82Å; F143-H247 AromaticContact CE1-NE2 3.68Å; H177-H247 PolarHBondContact CE1-O 2.97Å; H177-H247 PolarHBondContact ND1-O 3.34Å; Y180-H247 HydrophobicContact CD2-CB 4.23Å; Y180-H247 VanDerWaalsContact CD2-N 3.33Å; Y180-H247 WeakPolarHBondContact CD2-O 3.42Å; Y245-H247 VanDerWaalsContact C-N 3.32Å; Y245-H247 AromaticContact CD1-CD2 3.81Å; Y245-H247 AromaticContact CD1-CE1 3.3Å; Y245-H247 WeakPolarHBondContact CD1-CE1 3.17Å; Y245-H247 AromaticContact CD1-CG 3.71Å; Y245-H247 AromaticContact CD1-ND1 3.4Å; Y245-H247 WeakPolarHBondContact CD1-ND1 3.46Å; Y245-H247 AromaticContact CD1-NE2 3.56Å; Y245-H247 AromaticContact CE1-CE1 3.8Å; Y245-H247 AromaticContact CE1-ND1 3.63Å; Y245-H247 PolarHBondContact O-N 3.1Å; H247-F252 HydrophobicContact CB-CB 4.27Å; H247-F252 HydrophobicContact CB-CD2 3.85Å; H247-F252 HydrophobicContact CB-CG 4.35Å; H247-F252 AromaticContact CG-CD2 3.63Å; H247-F252 AromaticContact ND1-CD2 3.61Å | ||
| 248 | R | 97.1 | Very high | 94 | Very high | 108 Ų | 108 | 43.7 Ų | 43.7 | 41% | 0.408 | 22% | 0.216 | S | C | . | . | trans | -73.6 | 143.5 | 168 | -67.9 | -174.2 | 172.9 | -97.1 | 6.7 | 110.3 | D181 L184 P246 D250 N251 F252 | D181-R248 WeakPolarHBondContact OD1-CB 3.39Å; D181-R248 VanDerWaalsContact OD1-CG 3.3Å; D181-R248 WeakPolarHBondContact OD1-CG 3.07Å; D181-R248 IonicContact OD1-CZ 2.68Å; D181-R248 IonicContact OD1-NH1 3.54Å; D181-R248 PolarHBondContact OD1-NH1 3.45Å; D181-R248 WeakPolarHBondContact OD2-CA 3.17Å; L184-R248 HydrophobicContact CD1-CG 4.26Å; P246-R248 PolarHBondContact O-N 3.19Å; P246-R248 VanDerWaalsContact O-N 3.09Å; R248-D250 VanDerWaalsContact C-N 3.32Å; R248-D250 PolarHBondContact O-N 2.98Å; R248-N251 PolarHBondContact O-N 3.18Å; R248-F252 WeakPolarHBondContact O-CB 3.43Å; R248-F252 PolarHBondContact O-N 3.07Å | ||
| 249 | I | 96.7 | Very high | 94.9 | Very high | 21 Ų | 21 | 42.8 Ų | 42.8 | 11% | 0.108 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -53.2 | -44.9 | -174.3 | -170.9 | 179.8 | 0 | 0 | 0 | 113.2 | D181 K253 V268 Y275 F286 | D181-I249 PolarHBondContact OD2-N 2.85Å; I249-K253 VanDerWaalsContact O-CB 3.24Å; I249-K253 WeakPolarHBondContact O-CB 3.17Å; I249-K253 PolarHBondContact O-N 3.08Å; I249-V268 HydrophobicContact CD1-CG1 4.16Å; I249-Y275 HydrophobicContact CD1-CD1 4.37Å; I249-Y275 HydrophobicContact CD1-CE1 3.68Å; I249-F286 HydrophobicContact CB-CD2 4.14Å; I249-F286 HydrophobicContact CB-CE2 4.06Å; I249-F286 HydrophobicContact CD1-CD1 3.71Å; I249-F286 HydrophobicContact CD1-CD2 4.18Å; I249-F286 HydrophobicContact CD1-CE1 3.63Å; I249-F286 HydrophobicContact CD1-CE2 4.08Å; I249-F286 HydrophobicContact CD1-CG 3.99Å; I249-F286 HydrophobicContact CD1-CZ 3.82Å; I249-F286 HydrophobicContact CG1-CD1 4.46Å; I249-F286 HydrophobicContact CG1-CD2 4.23Å; I249-F286 HydrophobicContact CG1-CE2 4.39Å; I249-F286 HydrophobicContact CG1-CG 4.25Å |
| 250 | D | 96.8 | Very high | 95.7 | Very high | 125 Ų | 125 | 36.5 Ų | 36.5 | 67% | 0.668 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -70.3 | -43.9 | -176.2 | -70.8 | -29.3 | 0 | 0 | 0 | 112.1 | R248 K253 E254 | R248-D250 VanDerWaalsContact C-N 3.32Å; R248-D250 PolarHBondContact O-N 2.98Å; D250-K253 PolarHBondContact O-N 2.99Å; D250-E254 WeakPolarHBondContact O-CB 3.34Å; D250-E254 PolarHBondContact O-N 3.14Å |
| 251 | N | 97.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 42.9 Ų | 42.9 | 24% | 0.241 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66 | -42.3 | 176.6 | 171.4 | -106.6 | 0 | 0 | 0 | 111.2 | Q153 R248 K253 E254 I255 | Q153-N251 PolarHBondContact NE2-OD1 3.21Å; Q153-N251 PolarHBondContact OE1-ND2 3.38Å; Q153-N251 PolarHBondContact OE1-OD1 3.02Å; R248-N251 PolarHBondContact O-N 3.18Å; N251-K253 VanDerWaalsContact C-N 3.32Å; N251-K253 PolarHBondContact O-N 3.29Å; N251-E254 WeakPolarHBondContact O-CB 3.42Å; N251-E254 PolarHBondContact O-N 3.46Å; N251-I255 WeakPolarHBondContact O-CG1 3.42Å; N251-I255 PolarHBondContact O-N 3.21Å |
| 252 | F | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.8 | -43.3 | 176.4 | -164.5 | -102.8 | 0 | 0 | 0 | 111.3 | F143 I175 H177 H247 R248 E254 I255 L256 H288 | F143-F252 AromaticContact CD1-CE2 3.52Å; F143-F252 HydrophobicContact CD1-CE2 3.52Å; F143-F252 HydrophobicContact CD1-CZ 4.09Å; F143-F252 AromaticContact CE1-CE2 3.83Å; F143-F252 HydrophobicContact CE1-CE2 3.83Å; F143-F252 HydrophobicContact CG-CE2 4.39Å; I175-F252 HydrophobicContact CD1-CZ 3.91Å; I175-F252 HydrophobicContact CG1-CE1 4.41Å; I175-F252 HydrophobicContact CG1-CZ 4.03Å; I175-F252 HydrophobicContact CG2-CE1 4.23Å; H177-F252 AromaticContact CD2-CD1 3.33Å; H177-F252 WeakPolarHBondContact CD2-CD1 3.34Å; H177-F252 AromaticContact CD2-CE1 3.71Å; H177-F252 AromaticContact CD2-CG 3.58Å; H177-F252 AromaticContact NE2-CD1 3.65Å; H177-F252 AromaticContact NE2-CG 3.73Å; H247-F252 HydrophobicContact CB-CB 4.27Å; H247-F252 HydrophobicContact CB-CD2 3.85Å; H247-F252 HydrophobicContact CB-CG 4.35Å; H247-F252 AromaticContact CG-CD2 3.63Å; H247-F252 AromaticContact ND1-CD2 3.61Å; R248-F252 WeakPolarHBondContact O-CB 3.43Å; R248-F252 PolarHBondContact O-N 3.07Å; F252-E254 VanDerWaalsContact C-N 3.32Å; F252-E254 PolarHBondContact O-N 3Å; F252-I255 HydrophobicContact CD2-CD1 4.23Å; F252-I255 WeakPolarHBondContact O-CG1 3.39Å; F252-L256 HydrophobicContact CE1-CD2 4.12Å; F252-L256 WeakPolarHBondContact O-CB 3.4Å; F252-L256 PolarHBondContact O-N 3.1Å; F252-H288 AromaticContact CD1-CD2 3.67Å; F252-H288 AromaticContact CD1-CE1 3.79Å; F252-H288 AromaticContact CD1-NE2 3.52Å; F252-H288 AromaticContact CE1-CD2 3.79Å |
| 253 | K | 97.8 | Very high | 97.3 | Very high | 91 Ų | 91 | 47.9 Ų | 47.9 | 40% | 0.396 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -57.7 | -44.9 | 175.1 | -177 | 176 | -174.9 | 177.4 | 0 | 111.9 | I249 D250 N251 T257 H266 | I249-K253 VanDerWaalsContact O-CB 3.24Å; I249-K253 WeakPolarHBondContact O-CB 3.17Å; I249-K253 PolarHBondContact O-N 3.08Å; D250-K253 PolarHBondContact O-N 2.99Å; N251-K253 VanDerWaalsContact C-N 3.32Å; N251-K253 PolarHBondContact O-N 3.29Å; K253-T257 WeakPolarHBondContact O-CB 3.49Å; K253-T257 PolarHBondContact O-N 3.33Å; K253-T257 PolarHBondContact O-OG1 3.21Å; K253-H266 VanDerWaalsContact CG-CE1 3.48Å; K253-H266 WeakPolarHBondContact CG-CE1 3.46Å |
| 254 | E | 98.3 | Very high | 97.5 | Very high | 136 Ų | 136 | 48.6 Ų | 48.6 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -61.9 | -55.2 | 179.2 | -176 | -174.1 | 177.8 | 0 | 0 | 112.2 | D250 N251 F252 L256 T257 G258 | D250-E254 WeakPolarHBondContact O-CB 3.34Å; D250-E254 PolarHBondContact O-N 3.14Å; N251-E254 WeakPolarHBondContact O-CB 3.42Å; N251-E254 PolarHBondContact O-N 3.46Å; F252-E254 VanDerWaalsContact C-N 3.32Å; F252-E254 PolarHBondContact O-N 3Å; E254-L256 VanDerWaalsContact C-N 3.26Å; E254-L256 PolarHBondContact O-N 2.85Å; E254-T257 PolarHBondContact O-N 3.09Å; E254-G258 PolarHBondContact O-N 2.86Å |
| 255 | I | 98.2 | Very high | 97.6 | Very high | 14 Ų | 14 | 53 Ų | 53 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.1 | -32.9 | -178.1 | 63.9 | 175.9 | 0 | 0 | 0 | 111.7 | K157 L160 N251 F252 G258 A259 | K157-I255 HydrophobicContact CG-CB 4.42Å; K157-I255 HydrophobicContact CG-CG2 4.26Å; L160-I255 HydrophobicContact CD1-CB 4.22Å; L160-I255 HydrophobicContact CD1-CD1 3.67Å; L160-I255 HydrophobicContact CD1-CG1 3.58Å; N251-I255 WeakPolarHBondContact O-CG1 3.42Å; N251-I255 PolarHBondContact O-N 3.21Å; F252-I255 HydrophobicContact CD2-CD1 4.23Å; F252-I255 WeakPolarHBondContact O-CG1 3.39Å; I255-G258 PolarHBondContact O-N 3.42Å; I255-A259 PolarHBondContact O-N 2.92Å |
| 256 | L | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.6 | -46 | 177.2 | -169.3 | 64.4 | 0 | 0 | 0 | 111.2 | L160 L173 I175 F252 E254 G258 A259 F260 H288 V290 | L160-L256 HydrophobicContact CD1-CD1 4.24Å; L160-L256 HydrophobicContact CD2-CD1 3.77Å; L160-L256 HydrophobicContact CG-CD1 4.46Å; L173-L256 HydrophobicContact CD2-CD1 3.8Å; I175-L256 HydrophobicContact CG2-CD1 4.03Å; I175-L256 HydrophobicContact CG2-CD2 3.59Å; I175-L256 HydrophobicContact CG2-CG 4.49Å; F252-L256 HydrophobicContact CE1-CD2 4.12Å; F252-L256 WeakPolarHBondContact O-CB 3.4Å; F252-L256 PolarHBondContact O-N 3.1Å; E254-L256 VanDerWaalsContact C-N 3.26Å; E254-L256 PolarHBondContact O-N 2.85Å; L256-G258 VanDerWaalsContact C-N 3.27Å; L256-G258 PolarHBondContact O-N 3.42Å; L256-A259 WeakPolarHBondContact O-CB 3.3Å; L256-A259 PolarHBondContact O-N 3.27Å; L256-F260 HydrophobicContact CD1-CE2 4.48Å; L256-F260 WeakPolarHBondContact O-CD2 3.17Å; L256-H288 HydrophobicContact CD2-CB 3.63Å; L256-V290 HydrophobicContact CD2-CG2 3.51Å; L256-V290 HydrophobicContact CG-CG2 3.93Å |
| 257 | T | 98.3 | Very high | 97.7 | Very high | 43 Ų | 43 | 55.6 Ų | 55.6 | 26% | 0.264 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62 | -36.9 | 172.8 | -71 | 0 | 0 | 0 | 0 | 111.6 | K253 E254 A259 F260 H261 G262 H266 | K253-T257 WeakPolarHBondContact O-CB 3.49Å; K253-T257 PolarHBondContact O-N 3.33Å; K253-T257 PolarHBondContact O-OG1 3.21Å; E254-T257 PolarHBondContact O-N 3.09Å; T257-A259 VanDerWaalsContact C-N 3.33Å; T257-A259 PolarHBondContact O-N 3.06Å; T257-F260 PolarHBondContact O-N 2.98Å; T257-H261 PolarHBondContact O-N 2.81Å; T257-G262 PolarHBondContact O-N 2.88Å; T257-H266 PolarHBondContact OG1-ND1 3.09Å |
| 258 | G | 98.3 | Very high | 97.6 | Very high | 40 Ų | 40 | 56.9 Ų | 56.9 | 41% | 0.412 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -60 | -38.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E254 I255 L256 F260 H261 | E254-G258 PolarHBondContact O-N 2.86Å; I255-G258 PolarHBondContact O-N 3.42Å; L256-G258 VanDerWaalsContact C-N 3.27Å; L256-G258 PolarHBondContact O-N 3.42Å; G258-F260 PolarHBondContact O-N 3.36Å; G258-H261 WeakPolarHBondContact O-CA 3.41Å; G258-H261 PolarHBondContact O-N 3.06Å |
| 259 | A | 98.4 | Very high | 97.6 | Very high | 8 Ų | 8 | 54.4 Ų | 54.4 | 7% | 0.066 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.7 | -24 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | L160 Q161 A164 I255 L256 T257 | L160-A259 HydrophobicContact CB-CB 3.74Å; Q161-A259 HydrophobicContact CG-CB 4.27Å; A164-A259 HydrophobicContact CB-CB 4.03Å; I255-A259 PolarHBondContact O-N 2.92Å; L256-A259 WeakPolarHBondContact O-CB 3.3Å; L256-A259 PolarHBondContact O-N 3.27Å; T257-A259 VanDerWaalsContact C-N 3.33Å; T257-A259 PolarHBondContact O-N 3.06Å |
| 260 | F | 98.3 | Very high | 97.5 | Very high | 7 Ų | 7 | 53.6 Ų | 53.6 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 8.9 | 171.6 | -69.6 | -94.2 | 0 | 0 | 0 | 112.9 | A164 V167 L173 L256 T257 G258 G262 K263 C264 V290 K292 | A164-F260 HydrophobicContact CB-CD1 4.19Å; A164-F260 HydrophobicContact CB-CD2 3.94Å; A164-F260 HydrophobicContact CB-CE1 3.89Å; A164-F260 HydrophobicContact CB-CE2 3.61Å; A164-F260 HydrophobicContact CB-CG 4.22Å; A164-F260 HydrophobicContact CB-CZ 3.59Å; V167-F260 HydrophobicContact CB-CE1 4.29Å; V167-F260 HydrophobicContact CG2-CE1 4.26Å; V167-F260 HydrophobicContact CG2-CZ 4.19Å; L173-F260 HydrophobicContact CB-CZ 3.94Å; L173-F260 HydrophobicContact CD2-CE2 3.85Å; L173-F260 HydrophobicContact CD2-CZ 3.89Å; L256-F260 HydrophobicContact CD1-CE2 4.48Å; L256-F260 WeakPolarHBondContact O-CD2 3.17Å; T257-F260 PolarHBondContact O-N 2.98Å; G258-F260 PolarHBondContact O-N 3.36Å; F260-G262 PolarHBondContact O-N 3.26Å; F260-K263 WeakPolarHBondContact O-CB 3.33Å; F260-K263 PolarHBondContact O-N 3.29Å; F260-C264 HydrophobicContact CB-CB 3.85Å; F260-C264 HydrophobicContact CD1-CB 4.31Å; F260-C264 HydrophobicContact CG-CB 4.02Å; F260-V290 HydrophobicContact CD1-CG1 4.36Å; F260-V290 HydrophobicContact CD2-CG1 3.6Å; F260-V290 HydrophobicContact CE1-CG1 4.27Å; F260-V290 HydrophobicContact CE2-CB 4Å; F260-V290 HydrophobicContact CE2-CG1 3.51Å; F260-V290 HydrophobicContact CG-CG1 4.04Å; F260-V290 HydrophobicContact CZ-CB 4.23Å; F260-V290 HydrophobicContact CZ-CG1 3.86Å; F260-K292 HydrophobicContact CD1-CB 3.99Å; F260-K292 HydrophobicContact CD1-CD 4.07Å; F260-K292 HydrophobicContact CD1-CG 3.94Å; F260-K292 HydrophobicContact CE1-CB 3.92Å; F260-K292 HydrophobicContact CE1-CD 4.09Å; F260-K292 HydrophobicContact CE1-CG 4.21Å |
| 261 | H | 97.2 | Very high | 97.3 | Very high | 145 Ų | 145 | 49.2 Ų | 49.2 | 67% | 0.671 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 33.5 | -174.8 | -48.5 | 123.1 | 0 | 0 | 0 | 113 | T257 G258 K263 | T257-H261 PolarHBondContact O-N 2.81Å; G258-H261 WeakPolarHBondContact O-CA 3.41Å; G258-H261 PolarHBondContact O-N 3.06Å; H261-K263 PolarHBondContact O-N 2.77Å |
| 262 | G | 95.5 | Very high | 97.1 | Very high | 49 Ų | 49 | 47.8 Ų | 47.8 | 51% | 0.505 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.2 | 1.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | T257 F260 C264 | T257-G262 PolarHBondContact O-N 2.88Å; F260-G262 PolarHBondContact O-N 3.26Å; G262-C264 VanDerWaalsContact C-N 3.28Å; G262-C264 PolarHBondContact O-N 3.33Å; G262-C264 VanDerWaalsContact O-N 3.16Å |
| 263 | K | 96.9 | Very high | 96.8 | Very high | 120 Ų | 120 | 55.1 Ų | 55.1 | 52% | 0.522 | 29% | 0.29 | S | S | . | . | trans | -90.7 | 58.8 | -179.5 | -60.8 | -178.5 | -178.4 | 179.5 | 0 | 111.2 | F260 H261 T293 A294 | F260-K263 WeakPolarHBondContact O-CB 3.33Å; F260-K263 PolarHBondContact O-N 3.29Å; H261-K263 PolarHBondContact O-N 2.77Å; K263-T293 PolarHBondContact O-N 3.16Å; K263-T293 PolarHBondContact O-OG1 3.06Å; K263-A294 HydrophobicContact CD-CB 4.24Å | ||
| 264 | C | 98.1 | Very high | 96.5 | Very high | 24 Ų | 24 | 56.4 Ų | 56.4 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 156.5 | 179.8 | 62.7 | 0 | 0 | 0 | 0 | 113.9 | F260 G262 V290 K291 | F260-C264 HydrophobicContact CB-CB 3.85Å; F260-C264 HydrophobicContact CD1-CB 4.31Å; F260-C264 HydrophobicContact CG-CB 4.02Å; G262-C264 VanDerWaalsContact C-N 3.28Å; G262-C264 PolarHBondContact O-N 3.33Å; G262-C264 VanDerWaalsContact O-N 3.16Å; C264-V290 HydrophobicContact CB-CG1 3.43Å; C264-V290 VanDerWaalsContact CB-CG1 3.43Å; C264-K291 CarbonylContact C-O 3.54Å; C264-K291 WeakPolarHBondContact CA-O 3.29Å; C264-K291 VanDerWaalsContact CB-O 3.27Å; C264-K291 WeakPolarHBondContact CB-O 3.41Å |
| 265 | E | 98.1 | Very high | 96.2 | Very high | 102 Ų | 102 | 52.5 Ų | 52.5 | 48% | 0.477 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 130 | 160.7 | -60 | 163.5 | -148.1 | 0 | 0 | 107.6 | V290 K291 T293 | E265-V290 CarbonylContact O-C 3.57Å; E265-V290 WeakPolarHBondContact O-CA 3.36Å; E265-K291 HydrophobicContact CB-CB 4.28Å; E265-K291 PolarHBondContact N-O 3.49Å; E265-K291 PolarHBondContact O-N 3.23Å; E265-K291 IonicContact OE1-NZ 2.86Å; E265-K291 PolarHBondContact OE1-NZ 3.47Å; E265-K291 IonicContact OE2-NZ 3.2Å; E265-K291 PolarHBondContact OE2-NZ 3.18Å; E265-T293 HydrophobicContact CG-CG2 4.07Å |
| 266 | H | 97.9 | Very high | 95.8 | Very high | 35 Ų | 35 | 55.9 Ų | 55.9 | 16% | 0.162 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 114.7 | -174 | -172 | 166.1 | 0 | 0 | 0 | 111 | K253 T257 H288 | K253-H266 VanDerWaalsContact CG-CE1 3.48Å; K253-H266 WeakPolarHBondContact CG-CE1 3.46Å; T257-H266 PolarHBondContact OG1-ND1 3.09Å; H266-H288 AromaticContact CE1-ND1 3.59Å; H266-H288 AromaticContact NE2-CE1 3.99Å; H266-H288 AromaticContact NE2-CG 3.67Å; H266-H288 AromaticContact NE2-ND1 2.89Å; H266-H288 PolarHBondContact NE2-ND1 2.96Å |
| 267 | S | 97.5 | Very high | 95.3 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 39% | 0.385 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 145.4 | 174.5 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | V289 | S267-V289 PolarHBondContact N-O 3.27Å; S267-V289 PolarHBondContact O-N 2.72Å |
| 268 | V | 97.4 | Very high | 94.5 | Very high | 27 Ų | 27 | 62.7 Ų | 62.7 | 16% | 0.164 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 135.8 | 177 | -171.9 | 0 | 0 | 0 | 0 | 109.7 | I249 F286 I287 | I249-V268 HydrophobicContact CD1-CG1 4.16Å; V268-F286 HydrophobicContact CG1-CB 4.25Å; V268-F286 HydrophobicContact CG1-CD1 4.15Å; V268-I287 CarbonylContact C-O 3.4Å; V268-I287 WeakPolarHBondContact CA-O 3.46Å |
| 269 | Y | 96.6 | Very high | 93.8 | Very high | 55 Ų | 55 | 64 Ų | 64 | 22% | 0.216 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 152.6 | 180 | -59.2 | -92.8 | 0 | 0 | 0 | 109.6 | W49 K273 F286 I287 V289 | W49-Y269 HydrophobicContact CH2-CD2 4.27Å; W49-Y269 HydrophobicContact CZ2-CD1 4.12Å; W49-Y269 AromaticContact CZ2-CD2 3.82Å; W49-Y269 HydrophobicContact CZ2-CD2 3.82Å; W49-Y269 HydrophobicContact CZ2-CE1 4.27Å; W49-Y269 AromaticContact CZ2-CE2 3.99Å; W49-Y269 HydrophobicContact CZ2-CE2 3.99Å; W49-Y269 AromaticContact CZ2-CG 3.89Å; W49-Y269 HydrophobicContact CZ2-CG 3.89Å; Y269-K273 CarbonylContact C-O 3.3Å; Y269-K273 WeakPolarHBondContact CA-O 3.44Å; Y269-K273 VanDerWaalsContact CB-O 3.3Å; Y269-K273 WeakPolarHBondContact CB-O 3.44Å; Y269-F286 CarbonylContact O-C 3.56Å; Y269-F286 WeakPolarHBondContact O-CA 3.35Å; Y269-I287 PolarHBondContact N-O 3.08Å; Y269-I287 PolarHBondContact O-N 3.48Å; Y269-V289 HydrophobicContact CD2-CG2 3.9Å; Y269-V289 HydrophobicContact CE2-CB 4.06Å; Y269-V289 HydrophobicContact CE2-CG2 3.64Å |
| 270 | G | 94.3 | Very high | 92.8 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 4% | 0.041 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 118 | 176.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | F272 K273 Y285 | G270-F272 VanDerWaalsContact C-N 3.25Å; G270-F272 PolarHBondContact O-N 3.37Å; G270-K273 PolarHBondContact N-O 3.04Å; G270-K273 WeakPolarHBondContact O-CB 3.42Å; G270-K273 PolarHBondContact O-N 3.38Å; G270-Y285 WeakPolarHBondContact CA-O 3.41Å |
| 271 | D | 92.6 | Very high | 92.2 | Very high | 33 Ų | 33 | 77 Ų | 77 | 18% | 0.176 | 44% | 0.437 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 47.3 | -177.8 | -58 | -27.1 | 0 | 0 | 0 | 113.1 | I195 K273 P283 C284 Y285 | I195-D271 HydrophobicContact CD1-CB 4.15Å; I195-D271 HydrophobicContact CG2-CB 4.06Å; D271-K273 PolarHBondContact O-N 2.87Å; D271-P283 VanDerWaalsContact OD2-CA 3.22Å; D271-P283 WeakPolarHBondContact OD2-CA 2.99Å; D271-C284 WeakPolarHBondContact OD1-CB 3.36Å; D271-C284 PolarHBondContact OD1-N 2.75Å; D271-C284 PolarHBondContact OD2-N 3.35Å; D271-Y285 PolarHBondContact N-O 2.86Å; D271-Y285 VanDerWaalsContact N-O 3.09Å; D271-Y285 PolarHBondContact OD1-N 2.92Å |
| 272 | F | 92.4 | Very high | 91.7 | Very high | 15 Ų | 15 | 72.3 Ų | 72.3 | 7% | 0.066 | 42% | 0.423 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 19 | -177.4 | -53.8 | -76.3 | 0 | 0 | 0 | 115.9 | Y46 W49 V50 I195 Y196 G270 I287 | Y46-F272 AromaticContact CD1-CE2 3.84Å; Y46-F272 HydrophobicContact CD1-CE2 3.84Å; Y46-F272 HydrophobicContact CD1-CZ 4.1Å; Y46-F272 HydrophobicContact CD2-CE1 4.47Å; Y46-F272 HydrophobicContact CD2-CE2 4.43Å; Y46-F272 AromaticContact CD2-CZ 3.94Å; Y46-F272 HydrophobicContact CD2-CZ 3.94Å; Y46-F272 HydrophobicContact CG-CD2 4.28Å; Y46-F272 HydrophobicContact CG-CE1 4.3Å; Y46-F272 AromaticContact CG-CE2 3.59Å; Y46-F272 HydrophobicContact CG-CE2 3.59Å; Y46-F272 AromaticContact CG-CZ 3.54Å; Y46-F272 HydrophobicContact CG-CZ 3.54Å; W49-F272 HydrophobicContact CB-CB 4.34Å; W49-F272 HydrophobicContact CD2-CB 4.16Å; W49-F272 AromaticContact CD2-CD1 3.82Å; W49-F272 HydrophobicContact CD2-CD1 3.82Å; W49-F272 HydrophobicContact CD2-CG 4.46Å; W49-F272 AromaticContact CE3-CD1 3.44Å; W49-F272 HydrophobicContact CE3-CD1 3.44Å; W49-F272 VanDerWaalsContact CE3-CD1 3.44Å; W49-F272 AromaticContact CE3-CE1 3.99Å; W49-F272 HydrophobicContact CE3-CE1 3.99Å; W49-F272 HydrophobicContact CE3-CG 4.45Å; W49-F272 HydrophobicContact CG-CB 4.01Å; W49-F272 HydrophobicContact CG-CD1 4.38Å; W49-F272 HydrophobicContact CH2-CD1 4.37Å; W49-F272 AromaticContact CZ3-CD1 3.76Å; W49-F272 HydrophobicContact CZ3-CD1 3.76Å; W49-F272 HydrophobicContact CZ3-CE1 4.09Å; W49-F272 PolarHBondContact NE1-O 3.14Å; V50-F272 HydrophobicContact CG2-CE1 4.06Å; I195-F272 HydrophobicContact CD1-CD2 3.76Å; I195-F272 HydrophobicContact CD1-CE2 3.5Å; I195-F272 VanDerWaalsContact CD1-CE2 3.5Å; I195-F272 HydrophobicContact CG1-CE2 4.11Å; Y196-F272 HydrophobicContact CE1-CE2 4.15Å; Y196-F272 AromaticContact CE1-CZ 3.86Å; Y196-F272 HydrophobicContact CE1-CZ 3.86Å; Y196-F272 AromaticContact CZ-CE2 3.92Å; Y196-F272 AromaticContact CZ-CZ 3.63Å; Y196-F272 WeakPolarHBondContact OH-CZ 3.34Å; G270-F272 VanDerWaalsContact C-N 3.25Å; G270-F272 PolarHBondContact O-N 3.37Å; F272-I287 HydrophobicContact CD1-CD1 4.38Å; F272-I287 HydrophobicContact CD1-CG1 4.05Å; F272-I287 HydrophobicContact CE1-CG1 3.92Å; F272-I287 HydrophobicContact CE1-CG2 4.48Å; F272-I287 HydrophobicContact CG-CD1 4.47Å; F272-I287 HydrophobicContact CZ-CG1 4.35Å |
| 273 | K | 92.2 | Very high | 91.5 | Very high | 155 Ų | 155 | 70.2 Ų | 70.2 | 67% | 0.674 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 161.5 | 174.5 | -62.1 | 172.3 | -173.5 | 172.1 | 0 | 110.6 | Y269 G270 D271 Y275 | Y269-K273 CarbonylContact C-O 3.3Å; Y269-K273 WeakPolarHBondContact CA-O 3.44Å; Y269-K273 VanDerWaalsContact CB-O 3.3Å; Y269-K273 WeakPolarHBondContact CB-O 3.44Å; G270-K273 PolarHBondContact N-O 3.04Å; G270-K273 WeakPolarHBondContact O-CB 3.42Å; G270-K273 PolarHBondContact O-N 3.38Å; D271-K273 PolarHBondContact O-N 2.87Å; K273-Y275 PolarHBondContact O-N 2.82Å |
| 274 | T | 92.9 | Very high | 91.2 | Very high | 117 Ų | 117 | 64.9 Ų | 64.9 | 72% | 0.718 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -53.7 | 125.9 | 173.1 | -53.4 | 0 | 0 | 0 | 0 | 109.6 | ||
| 275 | Y | 92 | Very high | 91 | Very high | 55 Ų | 55 | 64 Ų | 64 | 22% | 0.216 | 37% | 0.371 | C | S | . | . | trans | -101.1 | 132.7 | 177.9 | 172 | -112.1 | 0 | 0 | 0 | 110.3 | I249 K273 P277 Q279 P283 F286 | I249-Y275 HydrophobicContact CD1-CD1 4.37Å; I249-Y275 HydrophobicContact CD1-CE1 3.68Å; K273-Y275 PolarHBondContact O-N 2.82Å; Y275-P277 HydrophobicContact CE1-CG 4.18Å; Y275-Q279 HydrophobicContact CD2-CG 4.43Å; Y275-Q279 HydrophobicContact CE2-CG 4.35Å; Y275-P283 HydrophobicContact CD2-CG 4.28Å; Y275-P283 HydrophobicContact CE2-CG 4.35Å; Y275-F286 HydrophobicContact CD1-CE1 4.26Å; Y275-F286 AromaticContact CD2-CE1 3.92Å; Y275-F286 HydrophobicContact CD2-CE1 3.92Å; Y275-F286 AromaticContact CE1-CE1 3.95Å; Y275-F286 HydrophobicContact CE1-CE1 3.95Å; Y275-F286 AromaticContact CE2-CE1 3.6Å; Y275-F286 HydrophobicContact CE2-CE1 3.6Å; Y275-F286 HydrophobicContact CE2-CZ 4.23Å; Y275-F286 HydrophobicContact CG-CE1 4.24Å; Y275-F286 AromaticContact CZ-CE1 3.6Å | ||
| 276 | T | 89.7 | Confident | 91 | Very high | 84 Ų | 84 | 59.2 Ų | 59.2 | 52% | 0.515 | 35% | 0.349 | S | S | . | . | trans | -122.4 | 128.1 | 169.4 | -53.1 | 0 | 0 | 0 | 0 | 109.1 | G278 Q279 | T276-G278 PolarHBondContact O-N 2.95Å; T276-Q279 VanDerWaalsContact N-OE1 3.16Å; T276-Q279 WeakPolarHBondContact O-CB 3.29Å; T276-Q279 WeakPolarHBondContact O-CG 3.25Å; T276-Q279 PolarHBondContact O-N 2.87Å; T276-Q279 VanDerWaalsContact O-N 3.1Å | ||
| 277 | P | 87.1 | Confident | 91 | Very high | 103 Ų | 103 | 57.6 Ų | 57.6 | 67% | 0.669 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 132.4 | 173.6 | -26.8 | 35.1 | 0 | 0 | 0 | 111.5 | Y275 | Y275-P277 HydrophobicContact CE1-CG 4.18Š|
| 278 | G | 80.9 | Confident | 91 | Very high | 83 Ų | 83 | 55 Ų | 55 | 86% | 0.856 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.4 | 9.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | T276 | T276-G278 PolarHBondContact O-N 2.95Š|
| 279 | Q | 83.9 | Confident | 91.1 | Very high | 69 Ų | 69 | 54.1 Ų | 54.1 | 32% | 0.322 | 32% | 0.318 | S | S | . | . | trans | -58.9 | 149.3 | 171.4 | 67.5 | -178.1 | 31.5 | 0 | 0 | 112 | Y275 T276 Q281 | Y275-Q279 HydrophobicContact CD2-CG 4.43Å; Y275-Q279 HydrophobicContact CE2-CG 4.35Å; T276-Q279 VanDerWaalsContact N-OE1 3.16Å; T276-Q279 WeakPolarHBondContact O-CB 3.29Å; T276-Q279 WeakPolarHBondContact O-CG 3.25Å; T276-Q279 PolarHBondContact O-N 2.87Å; T276-Q279 VanDerWaalsContact O-N 3.1Å; Q279-Q281 VanDerWaalsContact C-N 3.29Å; Q279-Q281 WeakPolarHBondContact CG-O 2.83Å; Q279-Q281 PolarHBondContact NE2-O 3.25Å; Q279-Q281 PolarHBondContact O-N 3.08Å | ||
| 280 | S | 78.4 | Confident | 91.2 | Very high | 135 Ų | 135 | 51.5 Ų | 51.5 | 94% | 0.944 | 31% | 0.308 | S | S | * | . | S | Bend | trans | -63.1 | -30.6 | -172.3 | 54.4 | 0 | 0 | 0 | 0 | 114.5 | ||
| 281 | Q | 83.9 | Confident | 91.4 | Very high | 152 Ų | 152 | 54.2 Ų | 54.2 | 71% | 0.71 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -108.4 | 113.8 | 178.4 | -170.6 | 174.5 | 5.4 | 0 | 0 | 110.3 | Q279 | Q279-Q281 VanDerWaalsContact C-N 3.29Å; Q279-Q281 WeakPolarHBondContact CG-O 2.83Å; Q279-Q281 PolarHBondContact NE2-O 3.25Å; Q279-Q281 PolarHBondContact O-N 3.08Å |
| 282 | A | 87.3 | Confident | 91.7 | Very high | 47 Ų | 47 | 54.3 Ų | 54.3 | 39% | 0.388 | 32% | 0.318 | S | S | . | . | trans | -65.8 | 128.3 | 173 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y182 | Y182-A282 HydrophobicContact CD2-CB 3.88Å; Y182-A282 HydrophobicContact CE2-CB 4.39Å | ||
| 283 | P | 91.5 | Very high | 91.8 | Very high | 4 Ų | 4 | 57.2 Ų | 57.2 | 3% | 0.026 | 34% | 0.336 | C | S | . | . | trans | -70.8 | 154.4 | 176 | 31 | -34.2 | 0 | 0 | 0 | 110.5 | N179 D271 Y275 F286 | N179-P283 WeakPolarHBondContact CB-O 3.34Å; N179-P283 PolarHBondContact ND2-O 3.46Å; D271-P283 VanDerWaalsContact OD2-CA 3.22Å; D271-P283 WeakPolarHBondContact OD2-CA 2.99Å; Y275-P283 HydrophobicContact CD2-CG 4.28Å; Y275-P283 HydrophobicContact CE2-CG 4.35Å; P283-F286 HydrophobicContact CG-CD1 4.01Å; P283-F286 HydrophobicContact CG-CE1 3.44Å; P283-F286 VanDerWaalsContact CG-CE1 3.44Å; P283-F286 HydrophobicContact CG-CZ 3.87Å | ||
| 284 | C | 90.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 6% | 0.061 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -73.3 | -35.4 | 172 | -73.2 | 0 | 0 | 0 | 0 | 111.5 | R178 N179 D271 | R178-C284 VanDerWaalsContact CG-O 3.29Å; R178-C284 WeakPolarHBondContact CG-O 3.45Å; N179-C284 PolarHBondContact N-O 3.44Å; D271-C284 WeakPolarHBondContact OD1-CB 3.36Å; D271-C284 PolarHBondContact OD1-N 2.75Å; D271-C284 PolarHBondContact OD2-N 3.35Å |
| 285 | Y | 94.2 | Very high | 91.1 | Very high | 4 Ų | 4 | 50.4 Ų | 50.4 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 143.8 | -176.9 | -65.2 | -98.6 | 0 | 0 | 0 | 111.5 | N141 H177 R178 N194 I195 Y196 G270 D271 | N141-Y285 HydrophobicContact CB-CD1 4.2Å; N141-Y285 HydrophobicContact CB-CE1 3.7Å; H177-Y285 WeakPolarHBondContact O-CA 3.42Å; R178-Y285 HydrophobicContact CB-CD1 4.48Å; R178-Y285 HydrophobicContact CB-CE1 4.37Å; R178-Y285 HydrophobicContact CG-CE1 4.3Å; N194-Y285 PolarHBondContact ND2-OH 2.86Å; N194-Y285 WeakPolarHBondContact OD1-CE2 3.45Å; N194-Y285 PolarHBondContact OD1-OH 3.41Å; I195-Y285 HydrophobicContact CD1-CD2 3.7Å; I195-Y285 HydrophobicContact CD1-CG 4.07Å; I195-Y285 HydrophobicContact CG1-CD2 3.75Å; I195-Y285 HydrophobicContact CG1-CE2 4.14Å; I195-Y285 HydrophobicContact CG1-CG 4.47Å; Y196-Y285 AromaticContact CD2-CD1 3.87Å; Y196-Y285 HydrophobicContact CD2-CD1 3.87Å; Y196-Y285 AromaticContact CD2-CD2 4Å; Y196-Y285 HydrophobicContact CD2-CD2 4Å; Y196-Y285 AromaticContact CD2-CE1 3.65Å; Y196-Y285 HydrophobicContact CD2-CE1 3.65Å; Y196-Y285 AromaticContact CD2-CE2 3.82Å; Y196-Y285 HydrophobicContact CD2-CE2 3.82Å; Y196-Y285 HydrophobicContact CD2-CG 4.05Å; Y196-Y285 AromaticContact CD2-CZ 3.65Å; Y196-Y285 AromaticContact CE2-CD1 3.67Å; Y196-Y285 HydrophobicContact CE2-CD1 3.67Å; Y196-Y285 HydrophobicContact CE2-CD2 4.14Å; Y196-Y285 AromaticContact CE2-CE1 3.93Å; Y196-Y285 HydrophobicContact CE2-CE1 3.93Å; Y196-Y285 HydrophobicContact CE2-CE2 4.41Å; Y196-Y285 AromaticContact CE2-CG 3.8Å; Y196-Y285 HydrophobicContact CE2-CG 3.8Å; G270-Y285 WeakPolarHBondContact CA-O 3.41Å; D271-Y285 PolarHBondContact N-O 2.86Å; D271-Y285 VanDerWaalsContact N-O 3.09Å; D271-Y285 PolarHBondContact OD1-N 2.92Å |
| 286 | F | 96.8 | Very high | 91.1 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 1% | 0.013 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 125.8 | 164.7 | -68.1 | -61.8 | 0 | 0 | 0 | 109.3 | D176 H177 N179 I249 V268 Y269 Y275 P283 | D176-F286 CarbonylContact C-O 3.59Å; D176-F286 WeakPolarHBondContact CA-O 3.3Å; D176-F286 VanDerWaalsContact CB-O 3.3Å; D176-F286 WeakPolarHBondContact CB-O 3.36Å; H177-F286 AromaticContact CE1-CD2 3.71Å; H177-F286 PolarHBondContact N-O 3.23Å; H177-F286 PolarHBondContact O-N 3.1Å; N179-F286 HydrophobicContact CB-CD2 4.24Å; N179-F286 HydrophobicContact CB-CE2 3.85Å; N179-F286 HydrophobicContact CB-CZ 4.49Å; N179-F286 VanDerWaalsContact CG-CE2 3.46Å; N179-F286 WeakPolarHBondContact OD1-CE2 3.48Å; I249-F286 HydrophobicContact CB-CD2 4.14Å; I249-F286 HydrophobicContact CB-CE2 4.06Å; I249-F286 HydrophobicContact CD1-CD1 3.71Å; I249-F286 HydrophobicContact CD1-CD2 4.18Å; I249-F286 HydrophobicContact CD1-CE1 3.63Å; I249-F286 HydrophobicContact CD1-CE2 4.08Å; I249-F286 HydrophobicContact CD1-CG 3.99Å; I249-F286 HydrophobicContact CD1-CZ 3.82Å; I249-F286 HydrophobicContact CG1-CD1 4.46Å; I249-F286 HydrophobicContact CG1-CD2 4.23Å; I249-F286 HydrophobicContact CG1-CE2 4.39Å; I249-F286 HydrophobicContact CG1-CG 4.25Å; V268-F286 HydrophobicContact CG1-CB 4.25Å; V268-F286 HydrophobicContact CG1-CD1 4.15Å; Y269-F286 CarbonylContact O-C 3.56Å; Y269-F286 WeakPolarHBondContact O-CA 3.35Å; Y275-F286 HydrophobicContact CD1-CE1 4.26Å; Y275-F286 AromaticContact CD2-CE1 3.92Å; Y275-F286 HydrophobicContact CD2-CE1 3.92Å; Y275-F286 AromaticContact CE1-CE1 3.95Å; Y275-F286 HydrophobicContact CE1-CE1 3.95Å; Y275-F286 AromaticContact CE2-CE1 3.6Å; Y275-F286 HydrophobicContact CE2-CE1 3.6Å; Y275-F286 HydrophobicContact CE2-CZ 4.23Å; Y275-F286 HydrophobicContact CG-CE1 4.24Å; Y275-F286 AromaticContact CZ-CE1 3.6Å; P283-F286 HydrophobicContact CG-CD1 4.01Å; P283-F286 HydrophobicContact CG-CE1 3.44Å; P283-F286 VanDerWaalsContact CG-CE1 3.44Å; P283-F286 HydrophobicContact CG-CZ 3.87Å |
| 287 | I | 98.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 116.7 | 177.8 | -57.1 | 79.7 | 0 | 0 | 0 | 107.5 | W49 I174 D176 V268 Y269 F272 | W49-I287 HydrophobicContact CH2-CG2 4.06Å; W49-I287 HydrophobicContact CZ3-CG2 4.36Å; I174-I287 HydrophobicContact CG2-CG2 3.74Å; D176-I287 HydrophobicContact CB-CG1 4.14Å; V268-I287 CarbonylContact C-O 3.4Å; V268-I287 WeakPolarHBondContact CA-O 3.46Å; Y269-I287 PolarHBondContact N-O 3.08Å; Y269-I287 PolarHBondContact O-N 3.48Å; F272-I287 HydrophobicContact CD1-CD1 4.38Å; F272-I287 HydrophobicContact CD1-CG1 4.05Å; F272-I287 HydrophobicContact CE1-CG1 3.92Å; F272-I287 HydrophobicContact CE1-CG2 4.48Å; F272-I287 HydrophobicContact CG-CD1 4.47Å; F272-I287 HydrophobicContact CZ-CG1 4.35Å |
| 288 | H | 98.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 124.2 | 176.9 | -63.1 | -103.4 | 0 | 0 | 0 | 109.3 | I174 I175 H177 F252 L256 H266 | I174-H288 WeakPolarHBondContact CA-O 3.21Å; I175-H288 HydrophobicContact CG2-CB 3.98Å; I175-H288 PolarHBondContact N-O 3.23Å; I175-H288 WeakPolarHBondContact O-CA 3.28Å; I175-H288 WeakPolarHBondContact O-CB 3.34Å; I175-H288 PolarHBondContact O-N 2.82Å; H177-H288 AromaticContact CD2-CD2 3.85Å; H177-H288 AromaticContact CD2-NE2 3.52Å; H177-H288 AromaticContact NE2-NE2 3.19Å; H177-H288 PolarHBondContact NE2-NE2 2.77Å; H177-H288 VanDerWaalsContact NE2-NE2 3.19Å; F252-H288 AromaticContact CD1-CD2 3.67Å; F252-H288 AromaticContact CD1-CE1 3.79Å; F252-H288 AromaticContact CD1-NE2 3.52Å; F252-H288 AromaticContact CE1-CD2 3.79Å; L256-H288 HydrophobicContact CD2-CB 3.63Å; H266-H288 AromaticContact CE1-ND1 3.59Å; H266-H288 AromaticContact NE2-CE1 3.99Å; H266-H288 AromaticContact NE2-CG 3.67Å; H266-H288 AromaticContact NE2-ND1 2.89Å; H266-H288 PolarHBondContact NE2-ND1 2.96Å |
| 289 | V | 98.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 42.7 Ų | 42.7 | 6% | 0.061 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115.9 | 170.5 | -177.5 | 0 | 0 | 0 | 0 | 107.8 | W49 L53 L173 I174 S267 Y269 | W49-V289 HydrophobicContact CH2-CG2 3.63Å; W49-V289 HydrophobicContact CZ2-CG2 4.28Å; L53-V289 HydrophobicContact CD2-CG1 4.1Å; L53-V289 HydrophobicContact CD2-CG2 3.86Å; L173-V289 WeakPolarHBondContact O-CA 3.31Å; I174-V289 HydrophobicContact CG2-CG2 4.42Å; S267-V289 PolarHBondContact N-O 3.27Å; S267-V289 PolarHBondContact O-N 2.72Å; Y269-V289 HydrophobicContact CD2-CG2 3.9Å; Y269-V289 HydrophobicContact CE2-CB 4.06Å; Y269-V289 HydrophobicContact CE2-CG2 3.64Å |
| 290 | V | 98.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 113.2 | -177.8 | -172.9 | 0 | 0 | 0 | 0 | 109.5 | I172 L173 L256 F260 C264 E265 | I172-V290 CarbonylContact C-O 3.51Å; I172-V290 WeakPolarHBondContact CA-O 3.48Å; L173-V290 HydrophobicContact CB-CB 4.38Å; L173-V290 PolarHBondContact N-O 2.99Å; L173-V290 PolarHBondContact O-N 2.89Å; L256-V290 HydrophobicContact CD2-CG2 3.51Å; L256-V290 HydrophobicContact CG-CG2 3.93Å; F260-V290 HydrophobicContact CD1-CG1 4.36Å; F260-V290 HydrophobicContact CD2-CG1 3.6Å; F260-V290 HydrophobicContact CE1-CG1 4.27Å; F260-V290 HydrophobicContact CE2-CB 4Å; F260-V290 HydrophobicContact CE2-CG1 3.51Å; F260-V290 HydrophobicContact CG-CG1 4.04Å; F260-V290 HydrophobicContact CZ-CB 4.23Å; F260-V290 HydrophobicContact CZ-CG1 3.86Å; C264-V290 HydrophobicContact CB-CG1 3.43Å; C264-V290 VanDerWaalsContact CB-CG1 3.43Å; E265-V290 CarbonylContact O-C 3.57Å; E265-V290 WeakPolarHBondContact O-CA 3.36Å |
| 291 | K | 98.6 | Very high | 93.6 | Very high | 61 Ų | 61 | 34.2 Ų | 34.2 | 27% | 0.265 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 121.2 | 176.3 | 178.2 | -179.3 | 159.8 | -140.6 | 0 | 109.5 | G171 I172 C264 E265 T293 | G171-K291 WeakPolarHBondContact O-CA 3.46Å; I172-K291 HydrophobicContact CG2-CB 3.95Å; I172-K291 HydrophobicContact CG2-CG 4.1Å; C264-K291 CarbonylContact C-O 3.54Å; C264-K291 WeakPolarHBondContact CA-O 3.29Å; C264-K291 VanDerWaalsContact CB-O 3.27Å; C264-K291 WeakPolarHBondContact CB-O 3.41Å; E265-K291 HydrophobicContact CB-CB 4.28Å; E265-K291 PolarHBondContact N-O 3.49Å; E265-K291 PolarHBondContact O-N 3.23Å; E265-K291 IonicContact OE1-NZ 2.86Å; E265-K291 PolarHBondContact OE1-NZ 3.47Å; E265-K291 IonicContact OE2-NZ 3.2Å; E265-K291 PolarHBondContact OE2-NZ 3.18Å; K291-T293 PolarHBondContact O-N 2.92Å |
| 292 | K | 98.4 | Very high | 94.4 | Very high | 35 Ų | 35 | 25.2 Ų | 25.2 | 15% | 0.152 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 122.7 | 179.6 | -172.2 | 167.6 | -176.8 | 173.2 | 0 | 110 | A164 V167 G170 G171 F260 A294 | A164-K292 PolarHBondContact O-NZ 2.64Å; V167-K292 HydrophobicContact CB-CD 4.23Å; V167-K292 HydrophobicContact CG1-CB 4.06Å; V167-K292 HydrophobicContact CG1-CD 4.33Å; V167-K292 VanDerWaalsContact O-CD 3.29Å; V167-K292 WeakPolarHBondContact O-CD 3.4Å; V167-K292 PolarHBondContact O-NZ 3.16Å; G170-K292 WeakPolarHBondContact CA-O 3.35Å; G170-K292 PolarHBondContact N-O 2.71Å; G171-K292 PolarHBondContact O-N 3.28Å; F260-K292 HydrophobicContact CD1-CB 3.99Å; F260-K292 HydrophobicContact CD1-CD 4.07Å; F260-K292 HydrophobicContact CD1-CG 3.94Å; F260-K292 HydrophobicContact CE1-CB 3.92Å; F260-K292 HydrophobicContact CE1-CD 4.09Å; F260-K292 HydrophobicContact CE1-CG 4.21Å; K292-A294 WeakPolarHBondContact CE-O 3.25Å; K292-A294 VanDerWaalsContact CG-O 3.28Å; K292-A294 WeakPolarHBondContact CG-O 2.98Å |
| 293 | T | 95.1 | Very high | 95 | Very high | 75 Ų | 75 | 23.3 Ų | 23.3 | 46% | 0.46 | 14% | 0.142 | S | C | . | . | trans | -88.4 | -25.1 | -176.8 | 56.7 | 0 | 0 | 0 | 0 | 112.9 | K263 E265 K291 | K263-T293 PolarHBondContact O-N 3.16Å; K263-T293 PolarHBondContact O-OG1 3.06Å; E265-T293 HydrophobicContact CG-CG2 4.07Å; K291-T293 PolarHBondContact O-N 2.92Å | ||
| 294 | A | 80.1 | Confident | 95.3 | Very high | 79 Ų | 79 | 25.1 Ų | 25.1 | 65% | 0.653 | 15% | 0.153 | S | C | * | . | trans | -150.8 | 0 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | P169 K263 K292 | P169-A294 WeakPolarHBondContact CG-OXT 3.26Å; K263-A294 HydrophobicContact CD-CB 4.24Å; K292-A294 WeakPolarHBondContact CE-O 3.25Å; K292-A294 VanDerWaalsContact CG-O 3.28Å; K292-A294 WeakPolarHBondContact CG-O 2.98Å |
Retrieved 294 of 294 residues in 90 ms
(Link to these results)