| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.7 | Very low | 29.9 | Very low | 241 Ų | 241 | 162.3 Ų | 162.3 | 100% | 1.187 | 87% | 0.87 | S | S | * | * | 0 | 137.3 | 0 | -90 | -177.2 | 174.2 | 0 | 0 | 108.1 | |||||
| 2 | L | 30.6 | Very low | 29.7 | Very low | 184 Ų | 184 | 161.7 Ų | 161.7 | 96% | 0.963 | 87% | 0.865 | S | S | * | * | trans | 86.8 | 83.4 | -178.1 | -61.3 | 159.9 | 0 | 0 | 0 | 116 | ||||
| 3 | S | 24.5 | Very low | 29.6 | Very low | 102 Ų | 102 | 157.5 Ų | 157.5 | 71% | 0.713 | 86% | 0.856 | S | S | * | * | trans | -137.5 | 117.8 | 152.8 | 56.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 4 | H | 33 | Very low | 29.4 | Very low | 194 Ų | 194 | 153.1 Ų | 153.1 | 90% | 0.898 | 85% | 0.851 | S | S | * | * | trans | -155.8 | 125.3 | 145.6 | -98.5 | -50 | 0 | 0 | 0 | 111.5 | ||||
| 5 | L | 32 | Very low | 29.3 | Very low | 163 Ų | 163 | 147.3 Ų | 147.3 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | trans | -65.4 | 142.6 | 179.3 | -67.1 | 121.6 | 0 | 0 | 0 | 112.4 | ||||
| 6 | R | 30.8 | Very low | 29.3 | Very low | 248 Ų | 248 | 145.8 Ų | 145.8 | 94% | 0.936 | 83% | 0.834 | S | S | * | * | trans | -129.2 | 107 | 147.3 | -83.8 | -172 | 172.8 | -165.8 | -1.7 | 108 | ||||
| 7 | G | 27.8 | Very low | 29.2 | Very low | 74 Ų | 74 | 148.5 Ų | 148.5 | 76% | 0.763 | 84% | 0.838 | S | S | * | * | trans | -73.7 | 131.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 8 | T | 30.6 | Very low | 29.4 | Very low | 137 Ų | 137 | 152.2 Ų | 152.2 | 84% | 0.84 | 84% | 0.837 | S | S | * | * | trans | -94.1 | 117.1 | 171.9 | -33.3 | 0 | 0 | 0 | 0 | 107.7 | C10 | T8-C10 PolarHBondContact O-N 3.07Š| ||
| 9 | F | 27.4 | Very low | 29.5 | Very low | 203 Ų | 203 | 149.4 Ų | 149.4 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | trans | -68 | 113.1 | 170.7 | -96.6 | -96.6 | 0 | 0 | 0 | 109.1 | ||||
| 10 | C | 26.1 | Very low | 29.8 | Very low | 106 Ų | 106 | 152.9 Ų | 152.9 | 72% | 0.716 | 84% | 0.835 | S | S | * | * | trans | -93.7 | 110 | 167.2 | -165.7 | 0 | 0 | 0 | 0 | 107.7 | T8 L12 | T8-C10 PolarHBondContact O-N 3.07Å; C10-L12 PolarHBondContact O-N 2.96Å | ||
| 11 | V | 28.4 | Very low | 30.3 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -78.6 | 95.3 | 171.9 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | S13 | V11-S13 PolarHBondContact O-N 3.33Š| ||
| 12 | L | 27.6 | Very low | 30.4 | Very low | 155 Ų | 155 | 141.3 Ų | 141.3 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | -80.3 | 102 | 165.2 | -78.2 | 163.4 | 0 | 0 | 0 | 107.8 | C10 A14 | C10-L12 PolarHBondContact O-N 2.96Å; L12-A14 PolarHBondContact O-N 3.29Å; L12-A14 VanDerWaalsContact O-N 3.13Å | ||
| 13 | S | 28.1 | Very low | 31 | Very low | 108 Ų | 108 | 134 Ų | 134 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -69.2 | 107.1 | 167 | 71.2 | 0 | 0 | 0 | 0 | 108.2 | V11 G15 | V11-S13 PolarHBondContact O-N 3.33Å; S13-G15 VanDerWaalsContact C-N 3.3Å; S13-G15 PolarHBondContact O-N 3.09Å | ||
| 14 | A | 27.7 | Very low | 32.2 | Very low | 95 Ų | 95 | 130.8 Ų | 130.8 | 79% | 0.785 | 73% | 0.731 | S | S | * | * | trans | -66.4 | 93.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | L12 V16 | L12-A14 PolarHBondContact O-N 3.29Å; L12-A14 VanDerWaalsContact O-N 3.13Å; A14-V16 PolarHBondContact O-N 3.02Å; A14-V16 VanDerWaalsContact O-N 3.08Å | ||
| 15 | G | 26.5 | Very low | 33.3 | Very low | 66 Ų | 66 | 126.2 Ų | 126.2 | 68% | 0.68 | 72% | 0.719 | S | S | * | * | trans | -66.7 | 102.4 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.7 | S13 Q17 | S13-G15 VanDerWaalsContact C-N 3.3Å; S13-G15 PolarHBondContact O-N 3.09Å; G15-Q17 VanDerWaalsContact C-N 3.3Å; G15-Q17 PolarHBondContact O-N 2.65Å | ||
| 16 | V | 29.3 | Very low | 35 | Very low | 124 Ų | 124 | 119.9 Ų | 119.9 | 75% | 0.752 | 69% | 0.687 | S | S | * | * | trans | -66 | 95.5 | 165.1 | 177.7 | 0 | 0 | 0 | 0 | 106.7 | A14 R18 | A14-V16 PolarHBondContact O-N 3.02Å; A14-V16 VanDerWaalsContact O-N 3.08Å; V16-R18 VanDerWaalsContact C-N 3.3Å; V16-R18 HydrophobicContact CG1-CG 4.5Å; V16-R18 PolarHBondContact O-N 3.33Å | ||
| 17 | Q | 28.3 | Very low | 36.9 | Very low | 191 Ų | 191 | 109.6 Ų | 109.6 | 89% | 0.893 | 65% | 0.648 | S | S | * | * | trans | -63.3 | 96.5 | 163.3 | -79.7 | 179.3 | -27.1 | 0 | 0 | 107.1 | G15 A19 | G15-Q17 VanDerWaalsContact C-N 3.3Å; G15-Q17 PolarHBondContact O-N 2.65Å; Q17-A19 PolarHBondContact O-N 2.65Å; Q17-A19 VanDerWaalsContact O-N 3.09Å | ||
| 18 | R | 33 | Very low | 38.3 | Very low | 216 Ų | 216 | 111.6 Ų | 111.6 | 82% | 0.815 | 64% | 0.64 | S | S | * | * | trans | -63.2 | 109.4 | 162.8 | -79.2 | -176.7 | -173.1 | 175.1 | 1.9 | 106.7 | V16 W20 | V16-R18 VanDerWaalsContact C-N 3.3Å; V16-R18 HydrophobicContact CG1-CG 4.5Å; V16-R18 PolarHBondContact O-N 3.33Å; R18-W20 PolarHBondContact O-N 3.41Å | ||
| 19 | A | 31.7 | Very low | 39.9 | Very low | 98 Ų | 98 | 108.1 Ų | 108.1 | 81% | 0.81 | 62% | 0.616 | S | S | * | * | trans | -59.3 | 116.9 | 163.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q17 S21 | Q17-A19 PolarHBondContact O-N 2.65Å; Q17-A19 VanDerWaalsContact O-N 3.09Å; A19-S21 PolarHBondContact O-N 3.1Å | ||
| 20 | W | 35.4 | Very low | 41.3 | Very low | 219 Ų | 219 | 104.6 Ų | 104.6 | 83% | 0.83 | 61% | 0.613 | S | S | * | * | trans | -69.9 | 111.2 | 169.8 | -73.6 | 51.8 | 0 | 0 | 0 | 106.4 | R18 | R18-W20 PolarHBondContact O-N 3.41Š| ||
| 21 | S | 38.8 | Very low | 42.9 | Very low | 66 Ų | 66 | 104.1 Ų | 104.1 | 46% | 0.462 | 61% | 0.611 | S | S | . | * | trans | -69.5 | 158 | 175.7 | 62.1 | 0 | 0 | 0 | 0 | 110.4 | A19 S23 S24 | A19-S21 PolarHBondContact O-N 3.1Å; S21-S23 PolarHBondContact O-N 3.49Å; S21-S23 PolarHBondContact O-OG 3.46Å; S21-S24 PolarHBondContact O-OG 3.09Å | ||
| 22 | S | 40.5 | Very low | 44.8 | Very low | 86 Ų | 86 | 98.6 Ų | 98.6 | 60% | 0.601 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 4.3 | -173.2 | 47.9 | 0 | 0 | 0 | 0 | 117.9 | S24 V257 | S22-S24 PolarHBondContact O-N 3.39Å; S22-V257 WeakPolarHBondContact OG-CG1 3.46Å |
| 23 | S | 43.6 | Very low | 47.2 | Very low | 31 Ų | 31 | 94.6 Ų | 94.6 | 22% | 0.217 | 56% | 0.562 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -59.3 | -23.7 | 177.7 | 49.5 | 0 | 0 | 0 | 0 | 113.4 | S21 C25 V257 | S21-S23 PolarHBondContact O-N 3.49Å; S21-S23 PolarHBondContact O-OG 3.46Å; S23-C25 PolarHBondContact O-N 3.32Å; S23-V257 VanDerWaalsContact CB-O 3.23Å; S23-V257 WeakPolarHBondContact CB-O 3.2Å |
| 24 | S | 49.2 | Very low | 50 | Low | 33 Ų | 33 | 89.5 Ų | 89.5 | 23% | 0.231 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -67.5 | -28.4 | -175.3 | 7.9 | 0 | 0 | 0 | 0 | 114.2 | S21 S22 L26 F27 M28 | S21-S24 PolarHBondContact O-OG 3.09Å; S22-S24 PolarHBondContact O-N 3.39Å; S24-L26 PolarHBondContact O-N 3.5Å; S24-F27 PolarHBondContact O-N 2.89Å; S24-M28 WeakPolarHBondContact CB-SD 3.42Å; S24-M28 WeakPolarHBondContact O-CA 3.44Å; S24-M28 WeakPolarHBondContact O-CB 3.37Å; S24-M28 WeakPolarHBondContact O-CG 3.3Å; S24-M28 PolarHBondContact O-N 3.46Å |
| 25 | C | 56.1 | Low | 53 | Low | 98 Ų | 98 | 85.1 Ų | 85.1 | 66% | 0.662 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.5 | -45.6 | -169.9 | 168.6 | 0 | 0 | 0 | 0 | 114.8 | S23 F27 | S23-C25 PolarHBondContact O-N 3.32Å; C25-F27 PolarHBondContact O-N 2.92Å |
| 26 | L | 67.8 | Low | 56.3 | Low | 31 Ų | 31 | 82 Ų | 82 | 16% | 0.162 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67.4 | -36.3 | -174.3 | -75.7 | -168.5 | 0 | 0 | 0 | 113 | S24 V251 L258 | S24-L26 PolarHBondContact O-N 3.5Å; L26-V251 HydrophobicContact CD1-CG1 4.14Å; L26-L258 HydrophobicContact CB-CD1 4.24Å; L26-L258 HydrophobicContact CD1-CD1 3.51Å; L26-L258 HydrophobicContact CD1-CD2 3.37Å; L26-L258 HydrophobicContact CD1-CG 3.88Å; L26-L258 HydrophobicContact CG-CD1 3.77Å; L26-L258 HydrophobicContact CG-CD2 4.47Å |
| 27 | F | 70.9 | Confident | 59.5 | Low | 31 Ų | 31 | 76.1 Ų | 76.1 | 14% | 0.136 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -102.9 | -11.2 | -174.1 | -58.5 | -72 | 0 | 0 | 0 | 113.9 | S24 C25 L35 L37 W53 V58 R63 I65 F259 | S24-F27 PolarHBondContact O-N 2.89Å; C25-F27 PolarHBondContact O-N 2.92Å; F27-L35 HydrophobicContact CD1-CD2 4.16Å; F27-L35 HydrophobicContact CE1-CD2 3.79Å; F27-L37 HydrophobicContact CE1-CD1 4.21Å; F27-L37 HydrophobicContact CZ-CD1 4.14Å; F27-W53 HydrophobicContact CD2-CZ3 4.3Å; F27-W53 HydrophobicContact CE2-CH2 4.41Å; F27-W53 AromaticContact CE2-CZ3 3.88Å; F27-W53 HydrophobicContact CE2-CZ3 3.88Å; F27-W53 HydrophobicContact CZ-CZ3 4.49Å; F27-V58 HydrophobicContact CD1-CG1 4.01Å; F27-V58 HydrophobicContact CD1-CG2 3.89Å; F27-V58 HydrophobicContact CD2-CG2 4.35Å; F27-V58 HydrophobicContact CE1-CG2 4Å; F27-V58 HydrophobicContact CE2-CG2 4.44Å; F27-V58 HydrophobicContact CG-CG1 4.5Å; F27-V58 HydrophobicContact CG-CG2 4.08Å; F27-V58 HydrophobicContact CZ-CG2 4.27Å; F27-R63 VanDerWaalsContact O-CZ 3.29Å; F27-R63 PolarHBondContact O-NH1 2.86Å; F27-R63 PolarHBondContact O-NH2 2.61Å; F27-I65 HydrophobicContact CD1-CD1 4.2Å; F27-I65 HydrophobicContact CE1-CD1 3.89Å; F27-F259 HydrophobicContact CE2-CD1 4.37Å; F27-F259 AromaticContact CE2-CE1 3.79Å; F27-F259 HydrophobicContact CE2-CE1 3.79Å; F27-F259 AromaticContact CZ-CE1 3.97Å; F27-F259 HydrophobicContact CZ-CE1 3.97Å |
| 28 | M | 57.2 | Low | 62.8 | Low | 117 Ų | 117 | 69 Ų | 69 | 58% | 0.576 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -86.8 | -8.3 | -176.5 | -75.7 | -169 | 98.5 | 0 | 0 | 116.3 | S24 P30 | S24-M28 WeakPolarHBondContact CB-SD 3.42Å; S24-M28 WeakPolarHBondContact O-CA 3.44Å; S24-M28 WeakPolarHBondContact O-CB 3.37Å; S24-M28 WeakPolarHBondContact O-CG 3.3Å; S24-M28 PolarHBondContact O-N 3.46Å; M28-P30 WeakPolarHBondContact O-CD 3.29Å; M28-P30 WeakPolarHBondContact O-CG 3.25Å |
| 29 | D | 63.4 | Low | 65.9 | Low | 64 Ų | 64 | 59.7 Ų | 59.7 | 34% | 0.342 | 36% | 0.356 | S | S | . | . | trans | -65.4 | 100.4 | 176.9 | -177.9 | 3.8 | 0 | 0 | 0 | 110.9 | S31 S32 R63 | D29-S31 VanDerWaalsContact CG-OG 3.31Å; D29-S31 PolarHBondContact O-N 3.01Å; D29-S31 VanDerWaalsContact O-N 3.14Å; D29-S31 WeakPolarHBondContact OD1-CB 3.19Å; D29-S31 PolarHBondContact OD1-N 3.38Å; D29-S31 PolarHBondContact OD1-OG 3.06Å; D29-S31 PolarHBondContact OD2-OG 3.17Å; D29-S32 PolarHBondContact O-N 3.25Å; D29-R63 PolarHBondContact O-NH2 2.98Å | ||
| 30 | P | 58.4 | Low | 69.1 | Low | 128 Ų | 128 | 61.1 Ų | 61.1 | 83% | 0.831 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.8 | -12.3 | -174.4 | -6 | 25.5 | 0 | 0 | 0 | 111.2 | M28 | M28-P30 WeakPolarHBondContact O-CD 3.29Å; M28-P30 WeakPolarHBondContact O-CG 3.25Å |
| 31 | S | 58.9 | Low | 72.1 | Confident | 97 Ų | 97 | 51.5 Ų | 51.5 | 68% | 0.678 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -13.6 | -175.8 | 76.6 | 0 | 0 | 0 | 0 | 113.6 | D29 P33 | D29-S31 VanDerWaalsContact CG-OG 3.31Å; D29-S31 PolarHBondContact O-N 3.01Å; D29-S31 VanDerWaalsContact O-N 3.14Å; D29-S31 WeakPolarHBondContact OD1-CB 3.19Å; D29-S31 PolarHBondContact OD1-N 3.38Å; D29-S31 PolarHBondContact OD1-OG 3.06Å; D29-S31 PolarHBondContact OD2-OG 3.17Å; S31-P33 VanDerWaalsContact O-CD 3.32Å; S31-P33 WeakPolarHBondContact O-CD 3.26Å |
| 32 | S | 67.9 | Low | 75 | Confident | 17 Ų | 17 | 51.2 Ų | 51.2 | 12% | 0.119 | 31% | 0.308 | C | S | . | . | trans | -97.4 | 108.4 | 179.4 | -158.7 | 0 | 0 | 0 | 0 | 111.3 | D29 G34 R63 S246 | D29-S32 PolarHBondContact O-N 3.25Å; S32-G34 PolarHBondContact O-N 3Å; S32-G34 VanDerWaalsContact O-N 3.16Å; S32-G34 PolarHBondContact OG-O 3.33Å; S32-R63 PolarHBondContact O-NE 2.82Å; S32-S246 PolarHBondContact OG-OG 3.31Å | ||
| 33 | P | 79.1 | Confident | 77.7 | Confident | 71 Ų | 71 | 48.2 Ų | 48.2 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -71 | -6.7 | -177 | 28.9 | -34.7 | 0 | 0 | 0 | 113.5 | S31 R63 S64 L244 | S31-P33 VanDerWaalsContact O-CD 3.32Å; S31-P33 WeakPolarHBondContact O-CD 3.26Å; P33-R63 WeakPolarHBondContact O-CA 3.4Å; P33-S64 PolarHBondContact O-N 2.82Å; P33-S64 VanDerWaalsContact O-N 3.13Å; P33-L244 HydrophobicContact CG-CD2 4.01Å |
| 34 | G | 85.6 | Confident | 80.4 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.6 | 164.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | S32 S64 | S32-G34 PolarHBondContact O-N 3Å; S32-G34 VanDerWaalsContact O-N 3.16Å; S32-G34 PolarHBondContact OG-O 3.33Å; G34-S64 CarbonylContact C-O 3.53Å; G34-S64 WeakPolarHBondContact CA-O 3.38Å |
| 35 | L | 91.8 | Very high | 82.7 | Confident | 4 Ų | 4 | 46.2 Ų | 46.2 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 143 | -172.3 | -173.7 | 63.1 | 0 | 0 | 0 | 110.5 | F27 L37 S64 I65 L66 | F27-L35 HydrophobicContact CD1-CD2 4.16Å; F27-L35 HydrophobicContact CE1-CD2 3.79Å; L35-L37 HydrophobicContact CD1-CD2 4.37Å; L35-L37 HydrophobicContact CD2-CD1 4.25Å; L35-L37 HydrophobicContact CD2-CD2 3.57Å; L35-L37 HydrophobicContact CD2-CG 3.93Å; L35-L37 HydrophobicContact CG-CD2 3.77Å; L35-L37 HydrophobicContact CG-CG 4.04Å; L35-S64 PolarHBondContact N-O 3.35Å; L35-I65 HydrophobicContact CB-CG1 4.25Å; L35-I65 CarbonylContact O-C 2.87Å; L35-I65 VanDerWaalsContact O-CA 3.31Å; L35-I65 WeakPolarHBondContact O-CA 3.33Å; L35-L66 PolarHBondContact O-N 3.05Å |
| 36 | V | 95.5 | Very high | 84.8 | Confident | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.5 | 169.6 | -178.6 | 0 | 0 | 0 | 0 | 108.3 | L66 L68 V235 Y238 L244 S248 R249 | V36-L66 CarbonylContact C-O 3.55Å; V36-L66 WeakPolarHBondContact CA-O 3.25Å; V36-L66 HydrophobicContact CG1-CD2 4.41Å; V36-L66 HydrophobicContact CG2-CB 4.38Å; V36-L68 HydrophobicContact CG1-CD1 4.4Å; V36-V235 HydrophobicContact CG1-CG1 4.24Å; V36-V235 HydrophobicContact CG1-CG2 3.88Å; V36-V235 HydrophobicContact CG2-CG1 4.44Å; V36-Y238 HydrophobicContact CG2-CD1 3.61Å; V36-Y238 HydrophobicContact CG2-CE1 3.95Å; V36-L244 HydrophobicContact CG2-CD1 4.5Å; V36-S248 WeakPolarHBondContact O-CA 3.04Å; V36-R249 PolarHBondContact O-N 2.73Å |
| 37 | L | 96.8 | Very high | 86.2 | Confident | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 140.8 | 178.2 | -62.5 | -178.6 | 0 | 0 | 0 | 109.8 | F27 L35 I54 I65 L66 L67 L68 R249 V251 | F27-L37 HydrophobicContact CE1-CD1 4.21Å; F27-L37 HydrophobicContact CZ-CD1 4.14Å; L35-L37 HydrophobicContact CD1-CD2 4.37Å; L35-L37 HydrophobicContact CD2-CD1 4.25Å; L35-L37 HydrophobicContact CD2-CD2 3.57Å; L35-L37 HydrophobicContact CD2-CG 3.93Å; L35-L37 HydrophobicContact CG-CD2 3.77Å; L35-L37 HydrophobicContact CG-CG 4.04Å; L37-I54 HydrophobicContact CD1-CD1 3.93Å; L37-I65 HydrophobicContact CD1-CG2 3.99Å; L37-I65 HydrophobicContact CG-CG2 4.13Å; L37-L66 PolarHBondContact N-O 2.93Å; L37-L67 HydrophobicContact CB-CD1 3.73Å; L37-L67 CarbonylContact O-C 3.47Å; L37-L67 WeakPolarHBondContact O-CA 3.48Å; L37-L68 PolarHBondContact O-N 3.39Å; L37-R249 CarbonylContact C-O 3.56Å; L37-R249 WeakPolarHBondContact CA-O 3.44Å; L37-R249 HydrophobicContact CD2-CB 4.27Å; L37-V251 HydrophobicContact CB-CG2 4.42Å; L37-V251 HydrophobicContact CD2-CG1 3.88Å |
| 38 | Q | 97.8 | Very high | 87.6 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 20% | 0.196 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 120.3 | 171 | -59 | -169.9 | 8.5 | 0 | 0 | 108.7 | L68 S248 R249 C250 V251 | Q38-L68 WeakPolarHBondContact CA-O 3.46Å; Q38-L68 HydrophobicContact CG-CB 4.24Å; Q38-L68 HydrophobicContact CG-CD1 4.28Å; Q38-S248 PolarHBondContact NE2-OG 2.84Å; Q38-R249 PolarHBondContact N-O 3.35Å; Q38-C250 CarbonylContact O-C 3.59Å; Q38-C250 VanDerWaalsContact O-CA 3.3Å; Q38-C250 WeakPolarHBondContact O-CA 3.48Å; Q38-V251 PolarHBondContact O-N 3.04Å |
| 39 | S | 98.4 | Very high | 89.5 | Confident | 20 Ų | 20 | 35.2 Ų | 35.2 | 14% | 0.14 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 134.1 | 174.7 | 176.4 | 0 | 0 | 0 | 0 | 110.8 | S41 N47 L68 P253 | S39-S41 PolarHBondContact OG-N 3.29Å; S39-S41 VanDerWaalsContact OG-N 3.08Å; S39-S41 PolarHBondContact OG-O 2.98Å; S39-N47 VanDerWaalsContact CB-OD1 3.24Å; S39-N47 WeakPolarHBondContact CB-OD1 3.47Å; S39-N47 PolarHBondContact OG-OD1 3.39Å; S39-L68 PolarHBondContact N-O 3.36Å; S39-P253 WeakPolarHBondContact OG-CG 3.4Å |
| 40 | Q | 98.1 | Very high | 91.2 | Very high | 127 Ų | 127 | 32.1 Ų | 32.1 | 59% | 0.593 | 19% | 0.189 | S | C | * | . | trans | -83.6 | -17.2 | 170.3 | -65.9 | -177.6 | -36.4 | 0 | 0 | 112.7 | C250 V251 | Q40-C250 HydrophobicContact CG-CB 3.92Å; Q40-V251 PolarHBondContact N-O 2.92Å | ||
| 41 | S | 98.4 | Very high | 93.1 | Very high | 17 Ų | 17 | 26 Ų | 26 | 12% | 0.119 | 15% | 0.149 | C | C | . | . | trans | -82.3 | 145.5 | 178.9 | -172.1 | 0 | 0 | 0 | 0 | 111.7 | S39 D43 Q46 N47 | S39-S41 PolarHBondContact OG-N 3.29Å; S39-S41 VanDerWaalsContact OG-N 3.08Å; S39-S41 PolarHBondContact OG-O 2.98Å; S41-D43 PolarHBondContact OG-N 2.98Å; S41-Q46 PolarHBondContact OG-OE1 3.25Å; S41-N47 PolarHBondContact O-ND2 3.44Å | ||
| 42 | T | 98.7 | Very high | 95 | Very high | 61 Ų | 61 | 21.7 Ų | 21.7 | 37% | 0.374 | 12% | 0.119 | S | C | . | . | trans | -105.8 | 7.4 | 168.2 | 59.6 | 0 | 0 | 0 | 0 | 112 | R70 N71 R72 L113 | T42-R70 WeakPolarHBondContact CA-O 3.45Å; T42-N71 CarbonylContact O-C 3.54Å; T42-N71 VanDerWaalsContact O-CA 3.23Å; T42-N71 WeakPolarHBondContact O-CA 3.28Å; T42-R72 WeakPolarHBondContact O-CG 3.49Å; T42-R72 PolarHBondContact O-N 2.93Å; T42-L113 HydrophobicContact CG2-CD2 3.66Å | ||
| 43 | D | 98.8 | Very high | 96.4 | Very high | 22 Ų | 22 | 21.9 Ų | 21.9 | 12% | 0.118 | 12% | 0.117 | C | C | . | . | trans | -82.9 | 127.5 | 175.4 | -168.5 | -82.3 | 0 | 0 | 0 | 111.4 | S41 F45 Q46 N47 R72 | S41-D43 PolarHBondContact OG-N 2.98Å; D43-F45 VanDerWaalsContact C-N 3.31Å; D43-F45 PolarHBondContact O-N 3.02Å; D43-F45 WeakPolarHBondContact OD1-CA 3.36Å; D43-F45 WeakPolarHBondContact OD1-CB 3.34Å; D43-F45 PolarHBondContact OD1-N 3.24Å; D43-Q46 HydrophobicContact CB-CB 4.1Å; D43-Q46 HydrophobicContact CB-CG 4.01Å; D43-Q46 PolarHBondContact OD1-N 3.38Å; D43-N47 WeakPolarHBondContact O-CB 3.12Å; D43-N47 PolarHBondContact O-N 3.26Å; D43-N47 PolarHBondContact O-ND2 3.34Å; D43-R72 IonicContact OD2-CZ 3.08Å; D43-R72 IonicContact OD2-NE 3.93Å; D43-R72 PolarHBondContact OD2-NE 2.95Å; D43-R72 IonicContact OD2-NH2 2.7Å; D43-R72 PolarHBondContact OD2-NH2 3.1Å | ||
| 44 | V | 98.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -64.5 | -34.4 | -177.1 | 62.1 | 0 | 0 | 0 | 0 | 112.8 | L48 N71 A74 V76 P98 A100 | V44-L48 HydrophobicContact CG2-CD1 3.95Å; V44-L48 HydrophobicContact CG2-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.3Å; V44-L48 VanDerWaalsContact O-CG 3.24Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.25Å; V44-N71 HydrophobicContact CB-CB 4.16Å; V44-N71 WeakPolarHBondContact CG2-ND2 3.38Å; V44-A74 HydrophobicContact CB-CB 4Å; V44-A74 HydrophobicContact CG1-CB 3.94Å; V44-A74 HydrophobicContact CG2-CB 4.26Å; V44-V76 HydrophobicContact CG2-CG2 3.86Å; V44-P98 HydrophobicContact CG1-CG 4.19Å; V44-A100 HydrophobicContact CB-CB 4.49Å; V44-A100 HydrophobicContact CG1-CB 3.96Å; V44-A100 HydrophobicContact CG2-CB 3.64Å |
| 45 | F | 98.8 | Very high | 97.6 | Very high | 23 Ų | 23 | 19.3 Ų | 19.3 | 10% | 0.101 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -77.3 | -41.8 | -177.3 | -58.1 | -75.7 | 0 | 0 | 0 | 110.8 | D43 N47 L48 A49 P98 A100 E266 L269 C270 | D43-F45 VanDerWaalsContact C-N 3.31Å; D43-F45 PolarHBondContact O-N 3.02Å; D43-F45 WeakPolarHBondContact OD1-CA 3.36Å; D43-F45 WeakPolarHBondContact OD1-CB 3.34Å; D43-F45 PolarHBondContact OD1-N 3.24Å; F45-N47 VanDerWaalsContact C-N 3.35Å; F45-N47 PolarHBondContact O-N 2.83Å; F45-L48 PolarHBondContact O-N 3.44Å; F45-A49 VanDerWaalsContact O-CB 3.22Å; F45-A49 WeakPolarHBondContact O-CB 3.23Å; F45-A49 PolarHBondContact O-N 3.15Å; F45-P98 HydrophobicContact CE2-CB 3.89Å; F45-P98 HydrophobicContact CE2-CG 4.37Å; F45-P98 HydrophobicContact CZ-CB 4.04Å; F45-A100 HydrophobicContact CD1-CB 4.24Å; F45-A100 HydrophobicContact CE1-CB 3.75Å; F45-A100 HydrophobicContact CZ-CB 4.22Å; F45-E266 HydrophobicContact CB-CG 3.99Å; F45-L269 HydrophobicContact CD1-CB 4.13Å; F45-C270 VanDerWaalsContact CB-SG 3.52Å; F45-C270 WeakPolarHBondContact CG-SG 3.41Å |
| 46 | Q | 98.8 | Very high | 97.8 | Very high | 43 Ų | 43 | 22.2 Ų | 22.2 | 20% | 0.201 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -59.8 | -45.2 | 172.6 | -69.2 | -177 | -3.6 | 0 | 0 | 111.9 | S41 D43 A49 L50 P253 E266 | S41-Q46 PolarHBondContact OG-OE1 3.25Å; D43-Q46 HydrophobicContact CB-CB 4.1Å; D43-Q46 HydrophobicContact CB-CG 4.01Å; D43-Q46 PolarHBondContact OD1-N 3.38Å; Q46-A49 WeakPolarHBondContact O-CB 3.32Å; Q46-A49 PolarHBondContact O-N 3.4Å; Q46-L50 PolarHBondContact O-N 3.42Å; Q46-P253 HydrophobicContact CB-CB 4.07Å; Q46-E266 VanDerWaalsContact CG-CD 3.41Å; Q46-E266 HydrophobicContact CG-CG 4.3Å; Q46-E266 VanDerWaalsContact CG-OE1 3.26Å; Q46-E266 WeakPolarHBondContact CG-OE1 3.24Å; Q46-E266 WeakPolarHBondContact CG-OE2 3.39Å |
| 47 | N | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.4 | -40.4 | 179.5 | -73.9 | -31.5 | 0 | 0 | 0 | 112.9 | S39 S41 D43 F45 A49 L50 E51 W69 R70 N71 P253 | S39-N47 VanDerWaalsContact CB-OD1 3.24Å; S39-N47 WeakPolarHBondContact CB-OD1 3.47Å; S39-N47 PolarHBondContact OG-OD1 3.39Å; S41-N47 PolarHBondContact O-ND2 3.44Å; D43-N47 WeakPolarHBondContact O-CB 3.12Å; D43-N47 PolarHBondContact O-N 3.26Å; D43-N47 PolarHBondContact O-ND2 3.34Å; F45-N47 VanDerWaalsContact C-N 3.35Å; F45-N47 PolarHBondContact O-N 2.83Å; N47-A49 VanDerWaalsContact C-N 3.34Å; N47-L50 PolarHBondContact O-N 2.98Å; N47-E51 PolarHBondContact O-N 2.94Å; N47-W69 HydrophobicContact CB-CD2 3.99Å; N47-W69 HydrophobicContact CB-CE3 3.22Å; N47-W69 HydrophobicContact CB-CZ3 3.53Å; N47-R70 PolarHBondContact ND2-O 2.95Å; N47-N71 PolarHBondContact ND2-OD1 3.13Å; N47-P253 WeakPolarHBondContact OD1-CG 3.4Å |
| 48 | L | 98.8 | Very high | 97.4 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -67.1 | -35.3 | 173.4 | -75.5 | 172.1 | 0 | 0 | 0 | 111.9 | V44 F45 E51 D52 W69 A100 R102 L269 | V44-L48 HydrophobicContact CG2-CD1 3.95Å; V44-L48 HydrophobicContact CG2-CG 4.43Å; V44-L48 WeakPolarHBondContact O-CB 3.3Å; V44-L48 VanDerWaalsContact O-CG 3.24Å; V44-L48 WeakPolarHBondContact O-CG 3.45Å; V44-L48 PolarHBondContact O-N 3.25Å; F45-L48 PolarHBondContact O-N 3.44Å; L48-E51 PolarHBondContact O-N 2.94Å; L48-D52 PolarHBondContact O-N 3.31Å; L48-W69 HydrophobicContact CD2-CH2 3.71Å; L48-W69 HydrophobicContact CD2-CZ3 4.46Å; L48-W69 HydrophobicContact CG-CH2 4.12Å; L48-W69 HydrophobicContact CG-CZ3 4.4Å; L48-A100 HydrophobicContact CD1-CB 3.92Å; L48-R102 HydrophobicContact CD1-CB 4.43Å; L48-R102 HydrophobicContact CD2-CB 3.83Å; L48-L269 HydrophobicContact CB-CD1 3.7Å |
| 49 | A | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | F45 Q46 N47 D52 W53 V262 M265 E266 L269 | F45-A49 VanDerWaalsContact O-CB 3.22Å; F45-A49 WeakPolarHBondContact O-CB 3.23Å; F45-A49 PolarHBondContact O-N 3.15Å; Q46-A49 WeakPolarHBondContact O-CB 3.32Å; Q46-A49 PolarHBondContact O-N 3.4Å; N47-A49 VanDerWaalsContact C-N 3.34Å; A49-D52 PolarHBondContact O-N 3.13Å; A49-W53 VanDerWaalsContact O-CB 3.29Å; A49-W53 WeakPolarHBondContact O-CB 3.38Å; A49-W53 PolarHBondContact O-N 3.48Å; A49-V262 HydrophobicContact CB-CG2 3.83Å; A49-M265 HydrophobicContact CB-CB 4.16Å; A49-E266 HydrophobicContact CB-CB 3.89Å; A49-L269 HydrophobicContact CB-CD1 4Å |
| 50 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 173 | 177.1 | 62.6 | 0 | 0 | 0 | 111.9 | Q46 N47 D52 W53 I54 L67 V251 P253 F259 | Q46-L50 PolarHBondContact O-N 3.42Å; N47-L50 PolarHBondContact O-N 2.98Å; L50-D52 PolarHBondContact O-N 2.87Å; L50-W53 PolarHBondContact O-N 3.36Å; L50-I54 HydrophobicContact CD1-CD1 3.96Å; L50-I54 HydrophobicContact CD1-CG1 4.1Å; L50-I54 HydrophobicContact CG-CD1 3.97Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.28Å; L50-I54 PolarHBondContact O-N 2.9Å; L50-L67 HydrophobicContact CD2-CD1 3.96Å; L50-L67 HydrophobicContact CD2-CD2 4.26Å; L50-L67 HydrophobicContact CG-CD2 4.33Å; L50-V251 HydrophobicContact CD2-CG2 3.92Å; L50-P253 HydrophobicContact CB-CB 3.95Å; L50-P253 HydrophobicContact CD2-CB 4.03Å; L50-P253 HydrophobicContact CD2-CG 3.88Å; L50-F259 HydrophobicContact CD1-CD1 3.8Å; L50-F259 HydrophobicContact CD1-CD2 4.03Å; L50-F259 HydrophobicContact CD1-CE1 3.54Å; L50-F259 HydrophobicContact CD1-CE2 3.79Å; L50-F259 HydrophobicContact CD1-CG 4.02Å; L50-F259 HydrophobicContact CD1-CZ 3.54Å |
| 51 | E | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -58.3 | -47.6 | 174.4 | 175 | 174.2 | -97.3 | 0 | 0 | 111.4 | N47 L48 D55 T119 F121 Y178 H180 | N47-E51 PolarHBondContact O-N 2.94Å; L48-E51 PolarHBondContact O-N 2.94Å; E51-D55 PolarHBondContact O-N 2.58Å; E51-D55 VanDerWaalsContact O-N 3.13Å; E51-T119 HydrophobicContact CG-CG2 4.12Å; E51-T119 WeakPolarHBondContact OE1-CB 3.23Å; E51-T119 WeakPolarHBondContact OE1-CG2 3.49Å; E51-T119 PolarHBondContact OE1-OG1 2.71Å; E51-F121 HydrophobicContact CB-CZ 4.27Å; E51-F121 HydrophobicContact CG-CE1 4.2Å; E51-F121 HydrophobicContact CG-CZ 3.85Å; E51-F121 WeakPolarHBondContact O-CE1 3.31Å; E51-Y178 HydrophobicContact CG-CD1 4.45Å; E51-Y178 HydrophobicContact CG-CD2 4.46Å; E51-Y178 HydrophobicContact CG-CE1 4.18Å; E51-Y178 HydrophobicContact CG-CE2 4.28Å; E51-H180 IonicContact OE1-CE1 3.68Å; E51-H180 IonicContact OE1-CG 2.63Å; E51-H180 IonicContact OE1-ND1 3.98Å; E51-H180 PolarHBondContact OE1-ND1 3.14Å; E51-H180 IonicContact OE2-CE1 2.92Å; E51-H180 IonicContact OE2-ND1 2.93Å; E51-H180 PolarHBondContact OE2-ND1 2.91Å; E51-H180 VanDerWaalsContact OE2-ND1 3.13Å |
| 52 | D | 97.4 | Very high | 95.6 | Very high | 6 Ų | 6 | 35.9 Ų | 35.9 | 3% | 0.032 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -66.3 | -37.7 | 177.2 | -75.6 | -21.2 | 0 | 0 | 0 | 112.4 | L48 A49 L50 D55 A56 R103 M265 | L48-D52 PolarHBondContact O-N 3.31Å; A49-D52 PolarHBondContact O-N 3.13Å; L50-D52 PolarHBondContact O-N 2.87Å; D52-D55 PolarHBondContact O-N 3.45Å; D52-A56 VanDerWaalsContact O-CB 3.29Å; D52-A56 WeakPolarHBondContact O-CB 3.49Å; D52-A56 PolarHBondContact O-N 3.32Å; D52-R103 VanDerWaalsContact CG-NE 3.3Å; D52-R103 WeakPolarHBondContact OD1-CD 2.9Å; D52-R103 WeakPolarHBondContact OD1-CG 2.97Å; D52-R103 IonicContact OD1-NE 2.91Å; D52-R103 VanDerWaalsContact OD2-CD 3.27Å; D52-R103 WeakPolarHBondContact OD2-CD 3.32Å; D52-R103 WeakPolarHBondContact OD2-CG 3.5Å; D52-R103 IonicContact OD2-CZ 3.22Å; D52-R103 IonicContact OD2-NE 3.5Å; D52-R103 PolarHBondContact OD2-NE 2.95Å; D52-R103 IonicContact OD2-NH2 2.71Å; D52-M265 HydrophobicContact CB-CE 3.68Å |
| 53 | W | 97.6 | Very high | 95 | Very high | 20 Ų | 20 | 34.2 Ų | 34.2 | 8% | 0.076 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | 178.9 | -170 | 99.6 | 0 | 0 | 0 | 110.8 | F27 A49 L50 A56 H57 V58 F259 P260 V262 M265 | F27-W53 HydrophobicContact CD2-CZ3 4.3Å; F27-W53 HydrophobicContact CE2-CH2 4.41Å; F27-W53 AromaticContact CE2-CZ3 3.88Å; F27-W53 HydrophobicContact CE2-CZ3 3.88Å; F27-W53 HydrophobicContact CZ-CZ3 4.49Å; A49-W53 VanDerWaalsContact O-CB 3.29Å; A49-W53 WeakPolarHBondContact O-CB 3.38Å; A49-W53 PolarHBondContact O-N 3.48Å; L50-W53 PolarHBondContact O-N 3.36Å; W53-A56 PolarHBondContact O-N 3.08Å; W53-H57 AromaticContact CD1-CE1 3.58Å; W53-H57 AromaticContact CD1-ND1 3.4Å; W53-H57 HydrophobicContact CD2-CB 4.1Å; W53-H57 AromaticContact CD2-ND1 3.57Å; W53-H57 AromaticContact CE2-CG 3.75Å; W53-H57 AromaticContact CE2-ND1 3.54Å; W53-H57 HydrophobicContact CE3-CB 4.15Å; W53-H57 AromaticContact CG-ND1 3.47Å; W53-H57 HydrophobicContact CH2-CB 3.93Å; W53-H57 HydrophobicContact CZ2-CB 3.85Å; W53-H57 HydrophobicContact CZ3-CB 4.07Å; W53-H57 AromaticContact NE1-CE1 3.66Å; W53-H57 AromaticContact NE1-CG 3.94Å; W53-H57 AromaticContact NE1-ND1 3.43Å; W53-H57 PolarHBondContact NE1-ND1 2.92Å; W53-H57 WeakPolarHBondContact O-CB 3.4Å; W53-H57 PolarHBondContact O-N 2.92Å; W53-H57 PolarHBondContact O-ND1 2.7Å; W53-V58 HydrophobicContact CE3-CG2 4.45Å; W53-V58 HydrophobicContact CZ3-CG2 3.87Å; W53-F259 HydrophobicContact CD2-CB 4.01Å; W53-F259 HydrophobicContact CD2-CD1 4.02Å; W53-F259 HydrophobicContact CD2-CG 4.47Å; W53-F259 HydrophobicContact CE3-CB 4.48Å; W53-F259 AromaticContact CE3-CD1 3.62Å; W53-F259 HydrophobicContact CE3-CD1 3.62Å; W53-F259 HydrophobicContact CE3-CE1 4.38Å; W53-F259 HydrophobicContact CE3-CG 4.49Å; W53-F259 HydrophobicContact CG-CB 4.25Å; W53-F259 HydrophobicContact CH2-CD1 4.14Å; W53-F259 HydrophobicContact CZ2-CB 4.42Å; W53-F259 HydrophobicContact CZ2-CD1 4.5Å; W53-F259 AromaticContact CZ3-CD1 3.7Å; W53-F259 HydrophobicContact CZ3-CD1 3.7Å; W53-F259 HydrophobicContact CZ3-CE1 4.32Å; W53-P260 PolarHBondContact NE1-O 2.89Å; W53-V262 HydrophobicContact CB-CG2 4.37Å; W53-M265 HydrophobicContact CB-SD 3.85Å; W53-M265 HydrophobicContact CG-SD 4.28Å |
| 54 | I | 96.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -46.6 | 176.5 | -67.7 | 166.7 | 0 | 0 | 0 | 110.4 | L37 L50 A56 V58 I65 L67 F121 | L37-I54 HydrophobicContact CD1-CD1 3.93Å; L50-I54 HydrophobicContact CD1-CD1 3.96Å; L50-I54 HydrophobicContact CD1-CG1 4.1Å; L50-I54 HydrophobicContact CG-CD1 3.97Å; L50-I54 VanDerWaalsContact O-CG1 3.29Å; L50-I54 WeakPolarHBondContact O-CG1 3.28Å; L50-I54 PolarHBondContact O-N 2.9Å; I54-A56 VanDerWaalsContact C-N 3.27Å; I54-A56 PolarHBondContact O-N 3.36Å; I54-V58 HydrophobicContact CB-CG2 4.42Å; I54-V58 HydrophobicContact CG2-CB 4.29Å; I54-V58 HydrophobicContact CG2-CG2 4.1Å; I54-V58 WeakPolarHBondContact O-CB 3.41Å; I54-V58 PolarHBondContact O-N 3.34Å; I54-V58 VanDerWaalsContact O-N 3.11Å; I54-I65 HydrophobicContact CG2-CD1 4.07Å; I54-L67 HydrophobicContact CD1-CD2 4.29Å; I54-F121 HydrophobicContact CB-CD1 4.38Å; I54-F121 HydrophobicContact CB-CE1 3.91Å; I54-F121 HydrophobicContact CB-CE2 4.41Å; I54-F121 HydrophobicContact CB-CZ 3.92Å; I54-F121 HydrophobicContact CD1-CE2 4.14Å; I54-F121 HydrophobicContact CD1-CZ 4.22Å; I54-F121 HydrophobicContact CG2-CD1 3.66Å; I54-F121 HydrophobicContact CG2-CD2 3.99Å; I54-F121 HydrophobicContact CG2-CE1 3.69Å; I54-F121 HydrophobicContact CG2-CE2 4Å; I54-F121 HydrophobicContact CG2-CG 3.81Å; I54-F121 HydrophobicContact CG2-CZ 3.85Å |
| 55 | D | 95.1 | Very high | 94.5 | Very high | 18 Ų | 18 | 34 Ų | 34 | 10% | 0.096 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -36.3 | 178 | -173.8 | 48.6 | 0 | 0 | 0 | 112.5 | E51 D52 F121 R171 S176 Y178 | E51-D55 PolarHBondContact O-N 2.58Å; E51-D55 VanDerWaalsContact O-N 3.13Å; D52-D55 PolarHBondContact O-N 3.45Å; D55-F121 HydrophobicContact CB-CE1 4.34Å; D55-R171 IonicContact OD2-NE 3.13Å; D55-S176 PolarHBondContact O-OG 2.95Å; D55-S176 WeakPolarHBondContact OD1-CB 3.16Å; D55-S176 PolarHBondContact OD1-OG 2.82Å; D55-Y178 HydrophobicContact CB-CD1 3.96Å; D55-Y178 HydrophobicContact CB-CE1 4.17Å |
| 56 | A | 94.3 | Very high | 94.4 | Very high | 64 Ų | 64 | 32.9 Ų | 32.9 | 53% | 0.529 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -83.7 | -34.6 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | D52 W53 I54 M265 | D52-A56 VanDerWaalsContact O-CB 3.29Å; D52-A56 WeakPolarHBondContact O-CB 3.49Å; D52-A56 PolarHBondContact O-N 3.32Å; W53-A56 PolarHBondContact O-N 3.08Å; I54-A56 VanDerWaalsContact C-N 3.27Å; I54-A56 PolarHBondContact O-N 3.36Å; A56-M265 HydrophobicContact CB-CE 4.43Å |
| 57 | H | 93 | Very high | 94.4 | Very high | 107 Ų | 107 | 30.8 Ų | 30.8 | 50% | 0.495 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -114.5 | -22.2 | -165.7 | -58.7 | 96.6 | 0 | 0 | 0 | 114.6 | W53 | W53-H57 AromaticContact CD1-CE1 3.58Å; W53-H57 AromaticContact CD1-ND1 3.4Å; W53-H57 HydrophobicContact CD2-CB 4.1Å; W53-H57 AromaticContact CD2-ND1 3.57Å; W53-H57 AromaticContact CE2-CG 3.75Å; W53-H57 AromaticContact CE2-ND1 3.54Å; W53-H57 HydrophobicContact CE3-CB 4.15Å; W53-H57 AromaticContact CG-ND1 3.47Å; W53-H57 HydrophobicContact CH2-CB 3.93Å; W53-H57 HydrophobicContact CZ2-CB 3.85Å; W53-H57 HydrophobicContact CZ3-CB 4.07Å; W53-H57 AromaticContact NE1-CE1 3.66Å; W53-H57 AromaticContact NE1-CG 3.94Å; W53-H57 AromaticContact NE1-ND1 3.43Å; W53-H57 PolarHBondContact NE1-ND1 2.92Å; W53-H57 WeakPolarHBondContact O-CB 3.4Å; W53-H57 PolarHBondContact O-N 2.92Å; W53-H57 PolarHBondContact O-ND1 2.7Å |
| 58 | V | 91.9 | Very high | 94.4 | Very high | 17 Ų | 17 | 31 Ų | 31 | 10% | 0.103 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -89.6 | 132.9 | -176.5 | -178 | 0 | 0 | 0 | 0 | 110.8 | F27 W53 I54 L60 I65 | F27-V58 HydrophobicContact CD1-CG1 4.01Å; F27-V58 HydrophobicContact CD1-CG2 3.89Å; F27-V58 HydrophobicContact CD2-CG2 4.35Å; F27-V58 HydrophobicContact CE1-CG2 4Å; F27-V58 HydrophobicContact CE2-CG2 4.44Å; F27-V58 HydrophobicContact CG-CG1 4.5Å; F27-V58 HydrophobicContact CG-CG2 4.08Å; F27-V58 HydrophobicContact CZ-CG2 4.27Å; W53-V58 HydrophobicContact CE3-CG2 4.45Å; W53-V58 HydrophobicContact CZ3-CG2 3.87Å; I54-V58 HydrophobicContact CB-CG2 4.42Å; I54-V58 HydrophobicContact CG2-CB 4.29Å; I54-V58 HydrophobicContact CG2-CG2 4.1Å; I54-V58 WeakPolarHBondContact O-CB 3.41Å; I54-V58 PolarHBondContact O-N 3.34Å; I54-V58 VanDerWaalsContact O-N 3.11Å; V58-L60 HydrophobicContact CG1-CD2 4.14Å; V58-L60 HydrophobicContact CG1-CG 4.42Å; V58-L60 PolarHBondContact O-N 2.92Å; V58-L60 VanDerWaalsContact O-N 3.11Å; V58-I65 HydrophobicContact CG1-CD1 3.82Å |
| 59 | D | 90.3 | Very high | 94.4 | Very high | 114 Ų | 114 | 31.3 Ų | 31.3 | 61% | 0.61 | 16% | 0.162 | S | C | * | . | trans | -74.9 | 101.7 | 171.5 | -172.2 | 0.2 | 0 | 0 | 0 | 111 | Q61 | D59-Q61 WeakPolarHBondContact OD1-CB 3.5Å; D59-Q61 VanDerWaalsContact OD1-CG 3.27Å; D59-Q61 WeakPolarHBondContact OD1-CG 3.41Å; D59-Q61 PolarHBondContact OD1-N 3.19Å | ||
| 60 | L | 91.6 | Very high | 94.4 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.016 | 18% | 0.176 | C | C | . | . | trans | -92.1 | 8.8 | 180 | -63.1 | 166.3 | 0 | 0 | 0 | 113.2 | V58 Q62 R63 I65 F121 S123 | V58-L60 HydrophobicContact CG1-CD2 4.14Å; V58-L60 HydrophobicContact CG1-CG 4.42Å; V58-L60 PolarHBondContact O-N 2.92Å; V58-L60 VanDerWaalsContact O-N 3.11Å; L60-Q62 VanDerWaalsContact C-N 3.35Å; L60-Q62 PolarHBondContact O-N 3.03Å; L60-R63 VanDerWaalsContact O-O 3.13Å; L60-I65 HydrophobicContact CD2-CD1 3.98Å; L60-I65 HydrophobicContact CD2-CG1 4Å; L60-F121 HydrophobicContact CD1-CB 3.8Å; L60-F121 HydrophobicContact CD1-CD1 4.27Å; L60-F121 HydrophobicContact CD1-CG 4.48Å; L60-F121 HydrophobicContact CD2-CB 3.81Å; L60-F121 HydrophobicContact CG-CB 4.47Å; L60-S123 VanDerWaalsContact O-CB 3.29Å; L60-S123 WeakPolarHBondContact O-CB 3.38Å; L60-S123 PolarHBondContact O-N 2.74Å; L60-S123 VanDerWaalsContact O-N 3.11Å | ||
| 61 | Q | 89.5 | Confident | 94.4 | Very high | 82 Ų | 82 | 35 Ų | 35 | 38% | 0.383 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -64.9 | -38.1 | -178.9 | -68 | -43.6 | -73.2 | 0 | 0 | 113 | D59 K175 | D59-Q61 WeakPolarHBondContact OD1-CB 3.5Å; D59-Q61 VanDerWaalsContact OD1-CG 3.27Å; D59-Q61 WeakPolarHBondContact OD1-CG 3.41Å; D59-Q61 PolarHBondContact OD1-N 3.19Å; Q61-K175 PolarHBondContact NE2-O 3.44Å |
| 62 | Q | 83 | Confident | 94.4 | Very high | 172 Ų | 172 | 40 Ų | 40 | 80% | 0.804 | 20% | 0.195 | S | C | * | . | S | Bend | trans | -119.2 | 11.8 | -178.5 | -57.6 | -57.5 | -41.7 | 0 | 0 | 112.5 | L60 | L60-Q62 VanDerWaalsContact C-N 3.35Å; L60-Q62 PolarHBondContact O-N 3.03Å |
| 63 | R | 87.2 | Confident | 94.5 | Very high | 26 Ų | 26 | 42.2 Ų | 42.2 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | trans | -138 | 143.7 | -176.3 | -172.7 | 178.9 | -69.2 | -176.9 | 12.8 | 112 | F27 D29 S32 P33 L60 I65 | F27-R63 VanDerWaalsContact O-CZ 3.29Å; F27-R63 PolarHBondContact O-NH1 2.86Å; F27-R63 PolarHBondContact O-NH2 2.61Å; D29-R63 PolarHBondContact O-NH2 2.98Å; S32-R63 PolarHBondContact O-NE 2.82Å; P33-R63 WeakPolarHBondContact O-CA 3.4Å; L60-R63 VanDerWaalsContact O-O 3.13Å; R63-I65 HydrophobicContact CG-CG1 4.35Å | ||
| 64 | S | 90.9 | Very high | 94.5 | Very high | 16 Ų | 16 | 41.3 Ų | 41.3 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 145.2 | 167.8 | 60.8 | 0 | 0 | 0 | 0 | 111.2 | P33 G34 L35 F121 Y238 | P33-S64 PolarHBondContact O-N 2.82Å; P33-S64 VanDerWaalsContact O-N 3.13Å; G34-S64 CarbonylContact C-O 3.53Å; G34-S64 WeakPolarHBondContact CA-O 3.38Å; L35-S64 PolarHBondContact N-O 3.35Å; S64-F121 WeakPolarHBondContact CA-O 3.38Å; S64-Y238 VanDerWaalsContact CB-OH 3.25Å; S64-Y238 WeakPolarHBondContact CB-OH 3.43Å; S64-Y238 PolarHBondContact OG-OH 2.59Å; S64-Y238 VanDerWaalsContact OG-OH 3.12Å |
| 65 | I | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 132.9 | 176.6 | -54.7 | -179.1 | 0 | 0 | 0 | 109.3 | F27 L35 L37 I54 V58 L60 R63 F121 Y238 | F27-I65 HydrophobicContact CD1-CD1 4.2Å; F27-I65 HydrophobicContact CE1-CD1 3.89Å; L35-I65 HydrophobicContact CB-CG1 4.25Å; L35-I65 CarbonylContact O-C 2.87Å; L35-I65 VanDerWaalsContact O-CA 3.31Å; L35-I65 WeakPolarHBondContact O-CA 3.33Å; L37-I65 HydrophobicContact CD1-CG2 3.99Å; L37-I65 HydrophobicContact CG-CG2 4.13Å; I54-I65 HydrophobicContact CG2-CD1 4.07Å; V58-I65 HydrophobicContact CG1-CD1 3.82Å; L60-I65 HydrophobicContact CD2-CD1 3.98Å; L60-I65 HydrophobicContact CD2-CG1 4Å; R63-I65 HydrophobicContact CG-CG1 4.35Å; I65-F121 HydrophobicContact CB-CB 4.06Å; I65-F121 HydrophobicContact CB-CD2 4.02Å; I65-F121 HydrophobicContact CB-CG 4.42Å; I65-F121 HydrophobicContact CG2-CD2 4.2Å; I65-F121 PolarHBondContact N-O 2.98Å; I65-F121 PolarHBondContact O-N 3.35Å; I65-Y238 PolarHBondContact N-OH 3.38Å |
| 66 | L | 97.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 118.4 | 163.6 | 174.9 | 61.7 | 0 | 0 | 0 | 108.5 | L35 V36 L37 L68 L118 T119 F120 V234 Y238 | L35-L66 PolarHBondContact O-N 3.05Å; V36-L66 CarbonylContact C-O 3.55Å; V36-L66 WeakPolarHBondContact CA-O 3.25Å; V36-L66 HydrophobicContact CG1-CD2 4.41Å; V36-L66 HydrophobicContact CG2-CB 4.38Å; L37-L66 PolarHBondContact N-O 2.93Å; L66-L68 HydrophobicContact CD1-CD2 3.98Å; L66-L68 HydrophobicContact CD2-CD2 4.04Å; L66-L68 HydrophobicContact CD2-CG 4.33Å; L66-L68 HydrophobicContact CG-CD2 3.96Å; L66-L68 HydrophobicContact CG-CG 4.17Å; L66-L118 HydrophobicContact CD1-CB 4.17Å; L66-L118 HydrophobicContact CD1-CD2 4.42Å; L66-T119 CarbonylContact C-O 3.6Å; L66-T119 WeakPolarHBondContact CA-O 3.4Å; L66-F120 HydrophobicContact CD1-CD1 4.01Å; L66-F120 HydrophobicContact CD1-CD2 4.42Å; L66-F120 HydrophobicContact CD1-CE1 3.83Å; L66-F120 HydrophobicContact CD1-CE2 4.25Å; L66-F120 HydrophobicContact CD1-CG 4.3Å; L66-F120 HydrophobicContact CD1-CZ 3.95Å; L66-V234 HydrophobicContact CD2-CG1 4.08Å; L66-Y238 HydrophobicContact CB-CD1 3.74Å; L66-Y238 HydrophobicContact CB-CD2 4.02Å; L66-Y238 HydrophobicContact CB-CE1 3.53Å; L66-Y238 HydrophobicContact CB-CE2 3.84Å; L66-Y238 HydrophobicContact CB-CG 3.97Å; L66-Y238 HydrophobicContact CD2-CD1 3.91Å; L66-Y238 HydrophobicContact CD2-CD2 3.96Å; L66-Y238 HydrophobicContact CD2-CG 3.56Å; L66-Y238 HydrophobicContact CG-CD1 4.49Å; L66-Y238 HydrophobicContact CG-CD2 4.47Å; L66-Y238 HydrophobicContact CG-CG 4.37Å; L66-Y238 PolarHBondContact N-OH 2.88Å |
| 67 | L | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123.8 | 168.7 | 176.9 | 66 | 0 | 0 | 0 | 109 | L37 L50 I54 W69 L118 T119 F121 | L37-L67 HydrophobicContact CB-CD1 3.73Å; L37-L67 CarbonylContact O-C 3.47Å; L37-L67 WeakPolarHBondContact O-CA 3.48Å; L50-L67 HydrophobicContact CD2-CD1 3.96Å; L50-L67 HydrophobicContact CD2-CD2 4.26Å; L50-L67 HydrophobicContact CG-CD2 4.33Å; I54-L67 HydrophobicContact CD1-CD2 4.29Å; L67-W69 HydrophobicContact CG-CG 4.39Å; L67-L118 CarbonylContact O-C 3.59Å; L67-L118 WeakPolarHBondContact O-CA 3.5Å; L67-T119 PolarHBondContact N-O 2.94Å; L67-T119 PolarHBondContact O-N 3.47Å; L67-F121 HydrophobicContact CB-CE2 3.86Å; L67-F121 HydrophobicContact CD2-CE2 4.39Å |
| 68 | L | 98.7 | Very high | 95.3 | Very high | 4 Ų | 4 | 32.4 Ų | 32.4 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 130.7 | 172.5 | -58.1 | 176.2 | 0 | 0 | 0 | 109.1 | V36 L37 Q38 S39 L66 N117 L118 L231 V234 V235 | V36-L68 HydrophobicContact CG1-CD1 4.4Å; L37-L68 PolarHBondContact O-N 3.39Å; Q38-L68 WeakPolarHBondContact CA-O 3.46Å; Q38-L68 HydrophobicContact CG-CB 4.24Å; Q38-L68 HydrophobicContact CG-CD1 4.28Å; S39-L68 PolarHBondContact N-O 3.36Å; L66-L68 HydrophobicContact CD1-CD2 3.98Å; L66-L68 HydrophobicContact CD2-CD2 4.04Å; L66-L68 HydrophobicContact CD2-CG 4.33Å; L66-L68 HydrophobicContact CG-CD2 3.96Å; L66-L68 HydrophobicContact CG-CG 4.17Å; L68-N117 WeakPolarHBondContact CA-O 3.35Å; L68-L118 HydrophobicContact CD2-CB 4.25Å; L68-L118 HydrophobicContact CD2-CD2 3.73Å; L68-L118 HydrophobicContact CD2-CG 3.72Å; L68-L231 HydrophobicContact CD1-CD2 4.23Å; L68-V234 HydrophobicContact CD2-CG1 3.98Å; L68-V235 HydrophobicContact CD1-CG2 3.56Å |
| 69 | W | 98.7 | Very high | 95.6 | Very high | 8 Ų | 8 | 34.2 Ų | 34.2 | 3% | 0.03 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 157.7 | -174.2 | 52.7 | -66 | 0 | 0 | 0 | 111.9 | N47 L48 L67 N71 N117 T119 | N47-W69 HydrophobicContact CB-CD2 3.99Å; N47-W69 HydrophobicContact CB-CE3 3.22Å; N47-W69 HydrophobicContact CB-CZ3 3.53Å; L48-W69 HydrophobicContact CD2-CH2 3.71Å; L48-W69 HydrophobicContact CD2-CZ3 4.46Å; L48-W69 HydrophobicContact CG-CH2 4.12Å; L48-W69 HydrophobicContact CG-CZ3 4.4Å; L67-W69 HydrophobicContact CG-CG 4.39Å; W69-N71 WeakPolarHBondContact CZ3-ND2 3.16Å; W69-N117 HydrophobicContact CD2-CB 3.59Å; W69-N117 HydrophobicContact CE3-CB 4.11Å; W69-N117 HydrophobicContact CG-CB 3.86Å; W69-N117 HydrophobicContact CZ2-CB 4.09Å; W69-N117 PolarHBondContact N-O 2.76Å; W69-N117 WeakPolarHBondContact O-CA 3.36Å; W69-N117 VanDerWaalsContact O-CB 3.31Å; W69-N117 WeakPolarHBondContact O-CB 3.28Å; W69-N117 PolarHBondContact O-N 3.38Å; W69-N117 PolarHBondContact O-ND2 3.42Å; W69-T119 PolarHBondContact NE1-OG1 3.14Å |
| 70 | R | 98.4 | Very high | 96 | Very high | 79 Ų | 79 | 33.4 Ų | 33.4 | 30% | 0.298 | 15% | 0.151 | S | C | . | . | trans | -136.6 | 156.3 | 176.6 | -77.4 | -166.1 | -83 | -162.5 | 0.7 | 109.2 | T42 N47 L113 N115 W227 | T42-R70 WeakPolarHBondContact CA-O 3.45Å; N47-R70 PolarHBondContact ND2-O 2.95Å; R70-L113 WeakPolarHBondContact CD-O 3.39Å; R70-L113 PolarHBondContact NH1-O 2.95Å; R70-N115 WeakPolarHBondContact CG-O 3.46Å; R70-W227 HydrophobicContact CG-CH2 3.73Å; R70-W227 HydrophobicContact CG-CZ2 3.61Å; R70-W227 VanDerWaalsContact CZ-CZ2 3.41Å; R70-W227 VanDerWaalsContact CZ-NE1 3.28Å; R70-W227 VanDerWaalsContact NE-CZ2 3.25Å; R70-W227 VanDerWaalsContact NH1-CD2 3.27Å | ||
| 71 | N | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -122.1 | 146.5 | 174.5 | -55.3 | -34.2 | 0 | 0 | 0 | 110 | T42 V44 N47 W69 H111 D112 L113 | T42-N71 CarbonylContact O-C 3.54Å; T42-N71 VanDerWaalsContact O-CA 3.23Å; T42-N71 WeakPolarHBondContact O-CA 3.28Å; V44-N71 HydrophobicContact CB-CB 4.16Å; V44-N71 WeakPolarHBondContact CG2-ND2 3.38Å; N47-N71 PolarHBondContact ND2-OD1 3.13Å; W69-N71 WeakPolarHBondContact CZ3-ND2 3.16Å; N71-H111 HydrophobicContact CB-CB 4.08Å; N71-H111 PolarHBondContact ND2-ND1 2.83Å; N71-D112 CarbonylContact O-C 3.49Å; N71-D112 WeakPolarHBondContact O-CA 3.42Å; N71-D112 VanDerWaalsContact O-O 3.1Å; N71-L113 PolarHBondContact O-N 3.17Å | ||
| 72 | R | 98.6 | Very high | 96.7 | Very high | 103 Ų | 103 | 29.4 Ų | 29.4 | 39% | 0.389 | 13% | 0.133 | S | C | . | . | S | Bend | trans | -55.3 | 162.6 | 155.5 | 68.9 | -164.5 | 175.3 | 95.8 | -4.4 | 109.3 | T42 D43 A74 | T42-R72 WeakPolarHBondContact O-CG 3.49Å; T42-R72 PolarHBondContact O-N 2.93Å; D43-R72 IonicContact OD2-CZ 3.08Å; D43-R72 IonicContact OD2-NE 3.93Å; D43-R72 PolarHBondContact OD2-NE 2.95Å; D43-R72 IonicContact OD2-NH2 2.7Å; D43-R72 PolarHBondContact OD2-NH2 3.1Å; R72-A74 PolarHBondContact O-N 3.4Å; R72-A74 VanDerWaalsContact O-N 3.09Å |
| 73 | P | 98.8 | Very high | 97.4 | Very high | 54 Ų | 54 | 21.2 Ų | 21.2 | 35% | 0.351 | 9% | 0.094 | S | C | . | . | S | Bend | trans | -41.2 | 119.1 | -177.5 | -35.1 | 39 | 0 | 0 | 0 | 112.9 | V97 P98 Y110 H111 D112 | P73-V97 HydrophobicContact CB-CG2 3.96Å; P73-P98 VanDerWaalsContact O-CD 3.31Å; P73-P98 WeakPolarHBondContact O-CD 3.26Å; P73-Y110 HydrophobicContact CB-CE2 4.3Å; P73-H111 CarbonylContact C-O 3.57Å; P73-H111 WeakPolarHBondContact CA-O 3.46Å; P73-D112 HydrophobicContact CG-CB 4.33Å |
| 74 | A | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.7 | 147.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | V44 R72 P98 Y110 H111 | V44-A74 HydrophobicContact CB-CB 4Å; V44-A74 HydrophobicContact CG1-CB 3.94Å; V44-A74 HydrophobicContact CG2-CB 4.26Å; R72-A74 PolarHBondContact O-N 3.4Å; R72-A74 VanDerWaalsContact O-N 3.09Å; A74-P98 HydrophobicContact CB-CG 4.08Å; A74-Y110 WeakPolarHBondContact O-CA 3.19Å; A74-Y110 WeakPolarHBondContact O-CD2 3.46Å; A74-H111 PolarHBondContact N-O 3.03Å; A74-H111 PolarHBondContact O-N 3.35Å |
| 75 | V | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 126.2 | 167.6 | 175.2 | 0 | 0 | 0 | 0 | 108.8 | I77 C87 M92 V97 P98 V99 A100 T108 Y110 L195 L196 | V75-I77 HydrophobicContact CG1-CG2 4.27Å; V75-C87 HydrophobicContact CG1-CB 4.12Å; V75-M92 HydrophobicContact CB-CE 3.54Å; V75-M92 HydrophobicContact CB-SD 3.99Å; V75-M92 HydrophobicContact CG2-CE 3.56Å; V75-M92 HydrophobicContact CG2-CG 4.37Å; V75-M92 HydrophobicContact CG2-SD 3.7Å; V75-V97 HydrophobicContact CG2-CG1 4.29Å; V75-P98 PolarHBondContact N-O 3.5Å; V75-V99 CarbonylContact O-C 3.59Å; V75-V99 WeakPolarHBondContact O-CA 3.31Å; V75-A100 PolarHBondContact O-N 3.05Å; V75-T108 HydrophobicContact CG1-CG2 3.37Å; V75-Y110 HydrophobicContact CG2-CD2 4.17Å; V75-L195 HydrophobicContact CG2-CB 4.27Å; V75-L196 HydrophobicContact CB-CD2 4.47Å; V75-L196 HydrophobicContact CG1-CD2 3.71Å; V75-L196 HydrophobicContact CG2-CD2 3.93Å |
| 76 | V | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 110.1 | -178.2 | -169.6 | 0 | 0 | 0 | 0 | 110.1 | V44 A100 R102 T108 V109 | V44-V76 HydrophobicContact CG2-CG2 3.86Å; V76-A100 CarbonylContact C-O 3.59Å; V76-A100 VanDerWaalsContact CA-O 3.3Å; V76-A100 WeakPolarHBondContact CA-O 3.37Å; V76-R102 HydrophobicContact CG1-CB 3.96Å; V76-R102 HydrophobicContact CG1-CG 4.13Å; V76-R102 PolarHBondContact O-NH1 2.85Å; V76-R102 VanDerWaalsContact O-NH1 3.09Å; V76-T108 WeakPolarHBondContact O-CA 3.31Å; V76-V109 HydrophobicContact CB-CG2 4.12Å; V76-V109 PolarHBondContact N-O 2.76Å; V76-V109 PolarHBondContact O-N 3.01Å |
| 77 | I | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 149.5 | 179.3 | 70.7 | 179.8 | 0 | 0 | 0 | 111.1 | V75 Q81 P83 V99 A100 R101 R102 T108 | V75-I77 HydrophobicContact CG1-CG2 4.27Å; I77-Q81 HydrophobicContact CB-CB 4.36Å; I77-P83 HydrophobicContact CD1-CB 3.88Å; I77-P83 HydrophobicContact CD1-CG 4.13Å; I77-V99 HydrophobicContact CD1-CG1 4.04Å; I77-V99 HydrophobicContact CG1-CG1 4.34Å; I77-V99 HydrophobicContact CG2-CG1 3.98Å; I77-A100 PolarHBondContact N-O 3.1Å; I77-R101 HydrophobicContact CD1-CB 4.17Å; I77-R101 HydrophobicContact CD1-CG 4.46Å; I77-R101 VanDerWaalsContact CD1-CZ 3.48Å; I77-R101 HydrophobicContact CG1-CB 3.87Å; I77-R101 HydrophobicContact CG1-CG 4.11Å; I77-R102 WeakPolarHBondContact O-CG 3.37Å; I77-R102 PolarHBondContact O-N 3.41Å; I77-T108 HydrophobicContact CG2-CG2 3.9Å; I77-T108 WeakPolarHBondContact CG2-OG1 3.42Å |
| 78 | G | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -70.4 | 162.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H80 Q81 R101 | G78-H80 PolarHBondContact O-N 2.63Å; G78-H80 VanDerWaalsContact O-N 3.08Å; G78-Q81 PolarHBondContact O-N 3.23Å; G78-R101 PolarHBondContact O-NH1 3.41Å | ||
| 79 | R | 98.3 | Very high | 97.6 | Very high | 55 Ų | 55 | 24 Ų | 24 | 21% | 0.208 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -32.9 | -174.8 | 179.3 | 58.6 | -174.6 | 80.5 | -1.2 | 115.1 | R101 R102 S104 | R79-R101 PolarHBondContact O-NH1 3.5Å; R79-R102 WeakPolarHBondContact CA-O 3.23Å; R79-S104 VanDerWaalsContact CB-O 3.24Å; R79-S104 WeakPolarHBondContact CB-O 3.07Å; R79-S104 PolarHBondContact N-O 3.37Å |
| 80 | H | 98.2 | Very high | 97.3 | Very high | 97 Ų | 97 | 26.3 Ų | 26.3 | 45% | 0.449 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 20 | -173.7 | -56.2 | -65 | 0 | 0 | 0 | 113.3 | G78 A207 T208 P280 | G78-H80 PolarHBondContact O-N 2.63Å; G78-H80 VanDerWaalsContact O-N 3.08Å; H80-A207 WeakPolarHBondContact O-CA 3.38Å; H80-A207 WeakPolarHBondContact O-CB 3.27Å; H80-T208 PolarHBondContact O-N 2.94Å; H80-P280 WeakPolarHBondContact O-CG 3.31Å |
| 81 | Q | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.126 | C | C | . | . | trans | -91.7 | 160.6 | -179.7 | -60.1 | -153.9 | -83.5 | 0 | 0 | 113 | I77 G78 E86 R101 G106 G107 T108 T208 S210 | I77-Q81 HydrophobicContact CB-CB 4.36Å; G78-Q81 PolarHBondContact O-N 3.23Å; Q81-E86 HydrophobicContact CB-CG 4.32Å; Q81-E86 PolarHBondContact NE2-OE2 2.98Å; Q81-R101 PolarHBondContact O-NH1 2.85Å; Q81-R101 PolarHBondContact O-NH2 2.68Å; Q81-G106 PolarHBondContact OE1-O 2.8Å; Q81-G107 PolarHBondContact OE1-O 2.91Å; Q81-T108 PolarHBondContact OE1-OG1 3.2Å; Q81-T208 VanDerWaalsContact CG-O 3.31Å; Q81-T208 WeakPolarHBondContact CG-O 3.43Å; Q81-T208 PolarHBondContact NE2-O 3.08Å; Q81-S210 PolarHBondContact NE2-OG 2.93Å | ||
| 82 | N | 98 | Very high | 97 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | trans | -102.9 | 109.5 | 173.5 | 177.8 | -28.2 | 0 | 0 | 0 | 109.6 | W84 A85 E86 A207 T279 F282 | N82-W84 VanDerWaalsContact C-N 3.28Å; N82-W84 PolarHBondContact O-N 3.23Å; N82-W84 WeakPolarHBondContact OD1-CB 2.97Å; N82-W84 VanDerWaalsContact OD1-CE3 3.28Å; N82-W84 PolarHBondContact OD1-N 3.3Å; N82-A85 HydrophobicContact CB-CB 4.04Å; N82-A85 PolarHBondContact O-N 3.45Å; N82-A85 VanDerWaalsContact O-N 3.07Å; N82-A85 PolarHBondContact OD1-N 2.89Å; N82-E86 WeakPolarHBondContact O-CB 3.24Å; N82-E86 WeakPolarHBondContact O-CG 3.38Å; N82-E86 PolarHBondContact O-N 2.99Å; N82-A207 HydrophobicContact CB-CB 3.7Å; N82-T279 HydrophobicContact CB-CG2 3.78Å; N82-F282 WeakPolarHBondContact ND2-CD1 3.32Å; N82-F282 VanDerWaalsContact ND2-CG 3.35Å; N82-F282 WeakPolarHBondContact ND2-CG 3.49Å | ||
| 83 | P | 97.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -59.4 | -36.3 | -176.6 | 19.8 | -28.5 | 0 | 0 | 0 | 113.3 | I77 A85 E86 C87 L89 V99 F276 T279 | I77-P83 HydrophobicContact CD1-CB 3.88Å; I77-P83 HydrophobicContact CD1-CG 4.13Å; P83-A85 PolarHBondContact O-N 2.78Å; P83-E86 PolarHBondContact O-N 3.34Å; P83-C87 PolarHBondContact O-N 3.17Å; P83-C87 VanDerWaalsContact O-N 3.12Å; P83-C87 PolarHBondContact O-SG 2.94Å; P83-L89 HydrophobicContact CB-CD2 4.43Å; P83-V99 HydrophobicContact CB-CG1 4.43Å; P83-F276 HydrophobicContact CB-CD1 4.34Å; P83-F276 HydrophobicContact CB-CE1 4.11Å; P83-F276 HydrophobicContact CG-CD1 3.62Å; P83-F276 HydrophobicContact CG-CE1 3.91Å; P83-T279 VanDerWaalsContact CD-OG1 3.26Å; P83-T279 WeakPolarHBondContact CD-OG1 3.42Å |
| 84 | W | 96.1 | Very high | 96.5 | Very high | 8 Ų | 8 | 28 Ų | 28 | 3% | 0.03 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.6 | -25.1 | 179.3 | -59.1 | -90.7 | 0 | 0 | 0 | 113.1 | N82 L89 C200 I203 F276 T279 F282 F341 | N82-W84 VanDerWaalsContact C-N 3.28Å; N82-W84 PolarHBondContact O-N 3.23Å; N82-W84 WeakPolarHBondContact OD1-CB 2.97Å; N82-W84 VanDerWaalsContact OD1-CE3 3.28Å; N82-W84 PolarHBondContact OD1-N 3.3Å; W84-L89 HydrophobicContact CD2-CD1 4.42Å; W84-L89 HydrophobicContact CG-CD1 3.94Å; W84-C200 HydrophobicContact CB-CB 4.2Å; W84-I203 HydrophobicContact CB-CD1 3.51Å; W84-F276 HydrophobicContact CH2-CB 3.87Å; W84-F276 AromaticContact CH2-CD1 3.86Å; W84-F276 HydrophobicContact CH2-CD1 3.86Å; W84-F276 HydrophobicContact CH2-CG 4.33Å; W84-F276 HydrophobicContact CZ2-CB 4.28Å; W84-F276 AromaticContact CZ2-CD1 3.66Å; W84-F276 HydrophobicContact CZ2-CD1 3.66Å; W84-F276 HydrophobicContact CZ2-CE1 4.5Å; W84-F276 HydrophobicContact CZ2-CG 4.33Å; W84-T279 HydrophobicContact CE3-CG2 4.22Å; W84-T279 HydrophobicContact CZ3-CG2 3.85Å; W84-F282 HydrophobicContact CD2-CZ 4.06Å; W84-F282 AromaticContact CE3-CE1 3.63Å; W84-F282 HydrophobicContact CE3-CE1 3.63Å; W84-F282 AromaticContact CE3-CZ 3.51Å; W84-F282 HydrophobicContact CE3-CZ 3.51Å; W84-F282 HydrophobicContact CH2-CE1 4.48Å; W84-F282 AromaticContact CZ3-CE1 3.57Å; W84-F282 HydrophobicContact CZ3-CE1 3.57Å; W84-F282 AromaticContact CZ3-CZ 3.79Å; W84-F282 HydrophobicContact CZ3-CZ 3.79Å; W84-F341 AromaticContact CD1-CD1 3.93Å; W84-F341 AromaticContact CD1-CE1 3.63Å; W84-F341 AromaticContact CD2-CD1 3.91Å; W84-F341 HydrophobicContact CD2-CD1 3.91Å; W84-F341 HydrophobicContact CD2-CE1 4.11Å; W84-F341 AromaticContact CE2-CD1 3.47Å; W84-F341 VanDerWaalsContact CE2-CD1 3.47Å; W84-F341 AromaticContact CE2-CE1 3.99Å; W84-F341 HydrophobicContact CE3-CD1 4.49Å; W84-F341 HydrophobicContact CG-CD1 4.25Å; W84-F341 AromaticContact CG-CE1 3.98Å; W84-F341 HydrophobicContact CG-CE1 3.98Å; W84-F341 HydrophobicContact CH2-CD1 4.39Å; W84-F341 HydrophobicContact CZ2-CB 4.31Å; W84-F341 AromaticContact CZ2-CD1 3.77Å; W84-F341 HydrophobicContact CZ2-CD1 3.77Å; W84-F341 WeakPolarHBondContact CZ2-O 3.3Å; W84-F341 AromaticContact NE1-CD1 3.43Å; W84-F341 AromaticContact NE1-CE1 3.63Å; W84-F341 PolarHBondContact NE1-O 2.96Å |
| 85 | A | 95.9 | Very high | 96.4 | Very high | 29 Ų | 29 | 30.9 Ų | 30.9 | 24% | 0.24 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -95 | -6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N82 P83 P198 I203 | N82-A85 HydrophobicContact CB-CB 4.04Å; N82-A85 PolarHBondContact O-N 3.45Å; N82-A85 VanDerWaalsContact O-N 3.07Å; N82-A85 PolarHBondContact OD1-N 2.89Å; P83-A85 PolarHBondContact O-N 2.78Å; A85-P198 WeakPolarHBondContact O-CG 3.32Å; A85-I203 HydrophobicContact CB-CD1 4.19Å; A85-I203 HydrophobicContact CB-CG2 4.23Å |
| 86 | E | 96.7 | Very high | 96.3 | Very high | 25 Ų | 25 | 39 Ų | 39 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -118.1 | -24.8 | -170.5 | -66 | -71.9 | 140.1 | 0 | 0 | 113 | Q81 N82 P83 T108 L196 P209 S210 | Q81-E86 HydrophobicContact CB-CG 4.32Å; Q81-E86 PolarHBondContact NE2-OE2 2.98Å; N82-E86 WeakPolarHBondContact O-CB 3.24Å; N82-E86 WeakPolarHBondContact O-CG 3.38Å; N82-E86 PolarHBondContact O-N 2.99Å; P83-E86 PolarHBondContact O-N 3.34Å; E86-T108 PolarHBondContact OE2-OG1 3Å; E86-L196 CarbonylContact O-C 3.58Å; E86-P209 WeakPolarHBondContact OE1-CA 3.43Å; E86-S210 PolarHBondContact OE1-N 2.94Å; E86-S210 WeakPolarHBondContact OE2-CB 3.42Å; E86-S210 PolarHBondContact OE2-N 3.08Å; E86-S210 PolarHBondContact OE2-OG 2.82Å |
| 87 | C | 95.7 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -148 | 164.1 | -176.2 | 62.7 | 0 | 0 | 0 | 0 | 112.5 | V75 P83 L89 M92 L195 L196 R197 | V75-C87 HydrophobicContact CG1-CB 4.12Å; P83-C87 PolarHBondContact O-N 3.17Å; P83-C87 VanDerWaalsContact O-N 3.12Å; P83-C87 PolarHBondContact O-SG 2.94Å; C87-L89 PolarHBondContact O-N 2.93Å; C87-M92 HydrophobicContact CB-SD 3.95Å; C87-L195 CarbonylContact C-O 3.51Å; C87-L195 VanDerWaalsContact CA-O 3.23Å; C87-L195 WeakPolarHBondContact CA-O 3.29Å; C87-L195 VanDerWaalsContact CB-O 3.27Å; C87-L195 WeakPolarHBondContact CB-O 3.29Å; C87-L196 HydrophobicContact CB-CD2 4.49Å; C87-R197 CarbonylContact C-O 3.59Å |
| 88 | S | 95.4 | Very high | 96.2 | Very high | 19 Ų | 19 | 40.8 Ų | 40.8 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | trans | -90.9 | 88.1 | 179.8 | -179.4 | 0 | 0 | 0 | 0 | 110.1 | P90 A91 M92 L195 R197 | S88-P90 VanDerWaalsContact C-CD 3.42Å; S88-P90 VanDerWaalsContact C-N 3.31Å; S88-A91 PolarHBondContact O-N 3Å; S88-A91 VanDerWaalsContact O-N 3.13Å; S88-A91 VanDerWaalsContact OG-CB 3.26Å; S88-A91 WeakPolarHBondContact OG-CB 3.31Å; S88-A91 PolarHBondContact OG-N 2.64Å; S88-M92 WeakPolarHBondContact O-CB 3.39Å; S88-M92 VanDerWaalsContact O-CG 3.25Å; S88-M92 WeakPolarHBondContact O-CG 3.32Å; S88-M92 PolarHBondContact O-N 3.04Å; S88-L195 PolarHBondContact N-O 3.31Å; S88-R197 WeakPolarHBondContact CA-O 3.29Å; S88-R197 VanDerWaalsContact CB-O 3.3Å; S88-R197 WeakPolarHBondContact CB-O 3.37Å; S88-R197 PolarHBondContact N-O 2.76Å | ||
| 89 | L | 94.3 | Very high | 96.2 | Very high | 23 Ų | 23 | 41.5 Ų | 41.5 | 12% | 0.12 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.9 | -35.8 | 177.9 | -57.6 | -177.8 | 0 | 0 | 0 | 113.6 | P83 W84 C87 M92 R93 V99 F276 | P83-L89 HydrophobicContact CB-CD2 4.43Å; W84-L89 HydrophobicContact CD2-CD1 4.42Å; W84-L89 HydrophobicContact CG-CD1 3.94Å; C87-L89 PolarHBondContact O-N 2.93Å; L89-M92 HydrophobicContact CD2-SD 4.31Å; L89-R93 WeakPolarHBondContact O-CB 3.37Å; L89-R93 WeakPolarHBondContact O-CG 3.38Å; L89-R93 PolarHBondContact O-N 3.08Å; L89-R93 PolarHBondContact O-NE 2.85Å; L89-V99 HydrophobicContact CD2-CG2 3.47Å; L89-V99 VanDerWaalsContact CD2-CG2 3.47Å; L89-F276 HydrophobicContact CD1-CE1 3.96Å; L89-F276 HydrophobicContact CD2-CE1 4.22Å |
| 90 | P | 92.6 | Very high | 96.2 | Very high | 56 Ų | 56 | 38.9 Ų | 38.9 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -63.8 | -45.4 | 172.1 | -22.9 | 35.1 | 0 | 0 | 0 | 113.5 | S88 R93 S94 S199 | S88-P90 VanDerWaalsContact C-CD 3.42Å; S88-P90 VanDerWaalsContact C-N 3.31Å; P90-R93 PolarHBondContact O-N 2.56Å; P90-S94 PolarHBondContact O-N 2.91Å; P90-S94 VanDerWaalsContact O-N 3.13Å; P90-S94 PolarHBondContact O-OG 2.79Å; P90-S199 WeakPolarHBondContact CD-OG 3.37Å |
| 91 | A | 94.8 | Very high | 96.3 | Very high | 27 Ų | 27 | 34.3 Ų | 34.3 | 22% | 0.223 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -41.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S88 S94 A95 L195 | S88-A91 PolarHBondContact O-N 3Å; S88-A91 VanDerWaalsContact O-N 3.13Å; S88-A91 VanDerWaalsContact OG-CB 3.26Å; S88-A91 WeakPolarHBondContact OG-CB 3.31Å; S88-A91 PolarHBondContact OG-N 2.64Å; A91-S94 PolarHBondContact O-N 2.81Å; A91-A95 WeakPolarHBondContact O-CB 3.33Å; A91-A95 PolarHBondContact O-N 2.91Å; A91-L195 HydrophobicContact CB-CD2 3.91Å |
| 92 | M | 95.5 | Very high | 96.3 | Very high | 3 Ų | 3 | 35 Ų | 35 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -60.8 | -45.4 | 176.3 | -72.7 | -179 | 66.9 | 0 | 0 | 112.8 | V75 C87 S88 L89 S94 A95 Q96 V97 P98 V99 L195 | V75-M92 HydrophobicContact CB-CE 3.54Å; V75-M92 HydrophobicContact CB-SD 3.99Å; V75-M92 HydrophobicContact CG2-CE 3.56Å; V75-M92 HydrophobicContact CG2-CG 4.37Å; V75-M92 HydrophobicContact CG2-SD 3.7Å; C87-M92 HydrophobicContact CB-SD 3.95Å; S88-M92 WeakPolarHBondContact O-CB 3.39Å; S88-M92 VanDerWaalsContact O-CG 3.25Å; S88-M92 WeakPolarHBondContact O-CG 3.32Å; S88-M92 PolarHBondContact O-N 3.04Å; L89-M92 HydrophobicContact CD2-SD 4.31Å; M92-S94 VanDerWaalsContact C-N 3.32Å; M92-S94 PolarHBondContact O-N 2.82Å; M92-A95 CarbonylContact O-C 3.53Å; M92-A95 PolarHBondContact O-N 3Å; M92-Q96 PolarHBondContact O-N 3.4Å; M92-V97 HydrophobicContact CB-CB 4.4Å; M92-V97 HydrophobicContact CE-CB 4.42Å; M92-V97 HydrophobicContact CE-CG1 4Å; M92-V97 VanDerWaalsContact CE-O 3.26Å; M92-V97 WeakPolarHBondContact CE-O 3.28Å; M92-V97 PolarHBondContact O-N 3.38Å; M92-P98 VanDerWaalsContact CE-C 3.43Å; M92-P98 VanDerWaalsContact CE-O 3.24Å; M92-P98 WeakPolarHBondContact CE-O 3.34Å; M92-V99 HydrophobicContact CE-CB 4.05Å; M92-V99 HydrophobicContact CE-CG2 3.2Å; M92-V99 HydrophobicContact SD-CG2 3.72Å; M92-L195 HydrophobicContact CG-CB 4.41Å; M92-L195 HydrophobicContact CG-CD2 3.9Å |
| 93 | R | 93 | Very high | 96.3 | Very high | 135 Ų | 135 | 36.7 Ų | 36.7 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.6 | -43.4 | 175 | -78.2 | -177.3 | -66.2 | 169.4 | -0.4 | 111.9 | L89 P90 A95 Q96 | L89-R93 WeakPolarHBondContact O-CB 3.37Å; L89-R93 WeakPolarHBondContact O-CG 3.38Å; L89-R93 PolarHBondContact O-N 3.08Å; L89-R93 PolarHBondContact O-NE 2.85Å; P90-R93 PolarHBondContact O-N 2.56Å; R93-A95 VanDerWaalsContact C-N 3.31Å; R93-A95 PolarHBondContact O-N 3.18Å; R93-Q96 PolarHBondContact O-N 3Å |
| 94 | S | 94.4 | Very high | 96.3 | Very high | 107 Ų | 107 | 36.7 Ų | 36.7 | 75% | 0.748 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -65.1 | -36.7 | 179.2 | -54.1 | 0 | 0 | 0 | 0 | 112.1 | P90 A91 M92 Q96 | P90-S94 PolarHBondContact O-N 2.91Å; P90-S94 VanDerWaalsContact O-N 3.13Å; P90-S94 PolarHBondContact O-OG 2.79Å; A91-S94 PolarHBondContact O-N 2.81Å; M92-S94 VanDerWaalsContact C-N 3.32Å; M92-S94 PolarHBondContact O-N 2.82Å; S94-Q96 VanDerWaalsContact C-N 3.34Å |
| 95 | A | 95.9 | Very high | 96.3 | Very high | 60 Ų | 60 | 37.7 Ų | 37.7 | 50% | 0.496 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 2.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | A91 M92 R93 V97 | A91-A95 WeakPolarHBondContact O-CB 3.33Å; A91-A95 PolarHBondContact O-N 2.91Å; M92-A95 CarbonylContact O-C 3.53Å; M92-A95 PolarHBondContact O-N 3Å; R93-A95 VanDerWaalsContact C-N 3.31Å; R93-A95 PolarHBondContact O-N 3.18Å; A95-V97 HydrophobicContact CB-CG2 3.86Å; A95-V97 PolarHBondContact O-N 3.16Å |
| 96 | Q | 96.6 | Very high | 96.3 | Very high | 171 Ų | 171 | 37.9 Ų | 37.9 | 80% | 0.799 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 33.5 | -175.5 | -55.8 | -178.9 | -54.3 | 0 | 0 | 114 | M92 R93 S94 | M92-Q96 PolarHBondContact O-N 3.4Å; R93-Q96 PolarHBondContact O-N 3Å; S94-Q96 VanDerWaalsContact C-N 3.34Å |
| 97 | V | 98.1 | Very high | 96.3 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 8% | 0.079 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -93.4 | 117.9 | 177.9 | -179.8 | 0 | 0 | 0 | 0 | 109 | P73 V75 M92 A95 Y110 L195 | P73-V97 HydrophobicContact CB-CG2 3.96Å; V75-V97 HydrophobicContact CG2-CG1 4.29Å; M92-V97 HydrophobicContact CB-CB 4.4Å; M92-V97 HydrophobicContact CE-CB 4.42Å; M92-V97 HydrophobicContact CE-CG1 4Å; M92-V97 VanDerWaalsContact CE-O 3.26Å; M92-V97 WeakPolarHBondContact CE-O 3.28Å; M92-V97 PolarHBondContact O-N 3.38Å; A95-V97 HydrophobicContact CB-CG2 3.86Å; A95-V97 PolarHBondContact O-N 3.16Å; V97-Y110 HydrophobicContact CG1-CE2 4.44Å; V97-L195 HydrophobicContact CB-CD1 4.38Å; V97-L195 HydrophobicContact CG1-CD1 4.16Å; V97-L195 HydrophobicContact CG2-CD1 4.05Å |
| 98 | P | 97.9 | Very high | 96.4 | Very high | 27 Ų | 27 | 38.6 Ų | 38.6 | 18% | 0.175 | 24% | 0.235 | C | C | . | . | P | Polyproline II helix | trans | -71.4 | 152.3 | 176.6 | 29.6 | -35.3 | 0 | 0 | 0 | 112.3 | V44 F45 P73 A74 V75 M92 | V44-P98 HydrophobicContact CG1-CG 4.19Å; F45-P98 HydrophobicContact CE2-CB 3.89Å; F45-P98 HydrophobicContact CE2-CG 4.37Å; F45-P98 HydrophobicContact CZ-CB 4.04Å; P73-P98 VanDerWaalsContact O-CD 3.31Å; P73-P98 WeakPolarHBondContact O-CD 3.26Å; A74-P98 HydrophobicContact CB-CG 4.08Å; V75-P98 PolarHBondContact N-O 3.5Å; M92-P98 VanDerWaalsContact CE-C 3.43Å; M92-P98 VanDerWaalsContact CE-O 3.24Å; M92-P98 WeakPolarHBondContact CE-O 3.34Å |
| 99 | V | 97.9 | Very high | 96.5 | Very high | 16 Ų | 16 | 39.5 Ų | 39.5 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 128.2 | 161.4 | -173.2 | 0 | 0 | 0 | 0 | 107.5 | V75 I77 P83 L89 M92 T275 F276 | V75-V99 CarbonylContact O-C 3.59Å; V75-V99 WeakPolarHBondContact O-CA 3.31Å; I77-V99 HydrophobicContact CD1-CG1 4.04Å; I77-V99 HydrophobicContact CG1-CG1 4.34Å; I77-V99 HydrophobicContact CG2-CG1 3.98Å; P83-V99 HydrophobicContact CB-CG1 4.43Å; L89-V99 HydrophobicContact CD2-CG2 3.47Å; L89-V99 VanDerWaalsContact CD2-CG2 3.47Å; M92-V99 HydrophobicContact CE-CB 4.05Å; M92-V99 HydrophobicContact CE-CG2 3.2Å; M92-V99 HydrophobicContact SD-CG2 3.72Å; V99-T275 HydrophobicContact CB-CG2 4.09Å; V99-T275 HydrophobicContact CG1-CG2 4.03Å; V99-T275 WeakPolarHBondContact O-CG2 3.36Å; V99-F276 HydrophobicContact CB-CZ 4.4Å; V99-F276 HydrophobicContact CG2-CZ 4.32Å |
| 100 | A | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 136.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | V44 F45 L48 V75 V76 I77 | V44-A100 HydrophobicContact CB-CB 4.49Å; V44-A100 HydrophobicContact CG1-CB 3.96Å; V44-A100 HydrophobicContact CG2-CB 3.64Å; F45-A100 HydrophobicContact CD1-CB 4.24Å; F45-A100 HydrophobicContact CE1-CB 3.75Å; F45-A100 HydrophobicContact CZ-CB 4.22Å; L48-A100 HydrophobicContact CD1-CB 3.92Å; V75-A100 PolarHBondContact O-N 3.05Å; V76-A100 CarbonylContact C-O 3.59Å; V76-A100 VanDerWaalsContact CA-O 3.3Å; V76-A100 WeakPolarHBondContact CA-O 3.37Å; I77-A100 PolarHBondContact N-O 3.1Å |
| 101 | R | 98.8 | Very high | 97 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 0% | 0.004 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 118.3 | 171.1 | -179.3 | 179.3 | -60.5 | -86.1 | 6.9 | 109.6 | I77 G78 R79 Q81 W274 T275 T279 | I77-R101 HydrophobicContact CD1-CB 4.17Å; I77-R101 HydrophobicContact CD1-CG 4.46Å; I77-R101 VanDerWaalsContact CD1-CZ 3.48Å; I77-R101 HydrophobicContact CG1-CB 3.87Å; I77-R101 HydrophobicContact CG1-CG 4.11Å; G78-R101 PolarHBondContact O-NH1 3.41Å; R79-R101 PolarHBondContact O-NH1 3.5Å; Q81-R101 PolarHBondContact O-NH1 2.85Å; Q81-R101 PolarHBondContact O-NH2 2.68Å; R101-W274 WeakPolarHBondContact CD-O 3.31Å; R101-W274 HydrophobicContact CG-CZ2 4.48Å; R101-W274 PolarHBondContact NE-O 3.09Å; R101-W274 PolarHBondContact O-NE1 3.5Å; R101-T275 VanDerWaalsContact CZ-O 3.3Å; R101-T275 PolarHBondContact NE-O 3.39Å; R101-T275 PolarHBondContact NH2-O 2.99Å; R101-T279 PolarHBondContact NH2-OG1 3.18Å |
| 102 | R | 98.6 | Very high | 97.2 | Very high | 13 Ų | 13 | 36.2 Ų | 36.2 | 5% | 0.049 | 21% | 0.214 | C | C | . | . | trans | -83 | 160.3 | 174.8 | 69.6 | -170.5 | -173.1 | -84.8 | -7.3 | 112.1 | L48 V76 I77 R79 S104 G105 G106 G107 H180 | L48-R102 HydrophobicContact CD1-CB 4.43Å; L48-R102 HydrophobicContact CD2-CB 3.83Å; V76-R102 HydrophobicContact CG1-CB 3.96Å; V76-R102 HydrophobicContact CG1-CG 4.13Å; V76-R102 PolarHBondContact O-NH1 2.85Å; V76-R102 VanDerWaalsContact O-NH1 3.09Å; I77-R102 WeakPolarHBondContact O-CG 3.37Å; I77-R102 PolarHBondContact O-N 3.41Å; R79-R102 WeakPolarHBondContact CA-O 3.23Å; R102-S104 VanDerWaalsContact CD-OG 3.24Å; R102-S104 WeakPolarHBondContact CD-OG 3.31Å; R102-S104 WeakPolarHBondContact CG-OG 3.47Å; R102-S104 PolarHBondContact NE-OG 2.76Å; R102-G105 PolarHBondContact NE-O 3.39Å; R102-G105 PolarHBondContact NH2-O 3.42Å; R102-G106 VanDerWaalsContact NH2-C 3.34Å; R102-G107 VanDerWaalsContact CZ-O 3.25Å; R102-G107 PolarHBondContact NH1-O 2.85Å; R102-G107 PolarHBondContact NH2-O 3.27Å; R102-H180 WeakPolarHBondContact CD-NE2 2.99Å; R102-H180 PolarHBondContact NE-NE2 2.99Å | ||
| 103 | R | 98 | Very high | 97.3 | Very high | 37 Ų | 37 | 40.1 Ų | 40.1 | 14% | 0.14 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -78.3 | -19.9 | -179.2 | -75.5 | -148.7 | -164.5 | -102.4 | 16.1 | 114.6 | D52 R171 E268 W274 | D52-R103 VanDerWaalsContact CG-NE 3.3Å; D52-R103 WeakPolarHBondContact OD1-CD 2.9Å; D52-R103 WeakPolarHBondContact OD1-CG 2.97Å; D52-R103 IonicContact OD1-NE 2.91Å; D52-R103 VanDerWaalsContact OD2-CD 3.27Å; D52-R103 WeakPolarHBondContact OD2-CD 3.32Å; D52-R103 WeakPolarHBondContact OD2-CG 3.5Å; D52-R103 IonicContact OD2-CZ 3.22Å; D52-R103 IonicContact OD2-NE 3.5Å; D52-R103 PolarHBondContact OD2-NE 2.95Å; D52-R103 IonicContact OD2-NH2 2.71Å; R103-R171 PolarHBondContact O-NH1 3.14Å; R103-E268 IonicContact CZ-OE1 2.84Å; R103-E268 IonicContact CZ-OE2 3.43Å; R103-E268 IonicContact NH1-OE1 3.05Å; R103-E268 PolarHBondContact NH1-OE1 3.07Å; R103-E268 IonicContact NH1-OE2 3.71Å; R103-E268 IonicContact NH2-OE1 3.29Å; R103-E268 PolarHBondContact NH2-OE1 3.21Å; R103-E268 VanDerWaalsContact NH2-OE1 3.12Å; R103-E268 IonicContact NH2-OE2 3.98Å; R103-E268 PolarHBondContact NH2-OE2 2.84Å; R103-W274 HydrophobicContact CG-CH2 3.88Å; R103-W274 HydrophobicContact CG-CZ2 3.67Å |
| 104 | S | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.007 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -79.2 | 160.1 | 172.3 | 63.5 | 0 | 0 | 0 | 0 | 112.5 | R79 R102 S170 H180 | R79-S104 VanDerWaalsContact CB-O 3.24Å; R79-S104 WeakPolarHBondContact CB-O 3.07Å; R79-S104 PolarHBondContact N-O 3.37Å; R102-S104 VanDerWaalsContact CD-OG 3.24Å; R102-S104 WeakPolarHBondContact CD-OG 3.31Å; R102-S104 WeakPolarHBondContact CG-OG 3.47Å; R102-S104 PolarHBondContact NE-OG 2.76Å; S104-S170 WeakPolarHBondContact CB-O 3.4Å; S104-H180 PolarHBondContact OG-CE1 3.13Å; S104-H180 PolarHBondContact OG-NE2 3.17Å |
| 105 | G | 96.4 | Very high | 97.8 | Very high | 28 Ų | 28 | 29 Ų | 29 | 29% | 0.289 | 18% | 0.178 | S | C | . | . | trans | -72.8 | -159.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R102 A169 | R102-G105 PolarHBondContact NE-O 3.39Å; R102-G105 PolarHBondContact NH2-O 3.42Å; G105-A169 WeakPolarHBondContact O-CB 3.35Å | ||
| 106 | G | 94.9 | Very high | 97.9 | Very high | 33 Ų | 33 | 26.1 Ų | 26.1 | 34% | 0.34 | 16% | 0.155 | S | C | . | . | S | Bend | trans | 92.8 | -174.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | Q81 R102 | Q81-G106 PolarHBondContact OE1-O 2.8Å; R102-G106 VanDerWaalsContact NH2-C 3.34Å |
| 107 | G | 96.3 | Very high | 98 | Very high | 25 Ų | 25 | 18.2 Ų | 18.2 | 26% | 0.258 | 12% | 0.118 | S | C | . | . | trans | -83.8 | -175.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q81 R102 S210 | Q81-G107 PolarHBondContact OE1-O 2.91Å; R102-G107 VanDerWaalsContact CZ-O 3.25Å; R102-G107 PolarHBondContact NH1-O 2.85Å; R102-G107 PolarHBondContact NH2-O 3.27Å; G107-S210 WeakPolarHBondContact CA-OG 3.3Å | ||
| 108 | T | 98 | Very high | 98.1 | Very high | 15 Ų | 15 | 17.6 Ų | 17.6 | 9% | 0.092 | 11% | 0.114 | C | C | . | . | trans | -91.2 | 139 | 179.1 | -66.4 | 0 | 0 | 0 | 0 | 110 | V75 V76 I77 Q81 E86 L196 S210 | V75-T108 HydrophobicContact CG1-CG2 3.37Å; V76-T108 WeakPolarHBondContact O-CA 3.31Å; I77-T108 HydrophobicContact CG2-CG2 3.9Å; I77-T108 WeakPolarHBondContact CG2-OG1 3.42Å; Q81-T108 PolarHBondContact OE1-OG1 3.2Å; E86-T108 PolarHBondContact OE2-OG1 3Å; T108-L196 HydrophobicContact CG2-CD2 3.72Å; T108-S210 PolarHBondContact N-OG 3.47Å | ||
| 109 | V | 98 | Very high | 98.1 | Very high | 38 Ų | 38 | 16.3 Ų | 16.3 | 23% | 0.23 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 155.9 | 176.3 | -67.2 | 0 | 0 | 0 | 0 | 110 | V76 H111 T182 | V76-V109 HydrophobicContact CB-CG2 4.12Å; V76-V109 PolarHBondContact N-O 2.76Å; V76-V109 PolarHBondContact O-N 3.01Å; V109-H111 VanDerWaalsContact CG2-NE2 3.27Å; V109-H111 WeakPolarHBondContact CG2-NE2 3.37Å; V109-T182 HydrophobicContact CG2-CG2 4.29Å |
| 110 | Y | 98.4 | Very high | 98.1 | Very high | 15 Ų | 15 | 15.8 Ų | 15.8 | 6% | 0.059 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 136.6 | 171.7 | 167.8 | -94.9 | 0 | 0 | 0 | 109.2 | P73 A74 V75 V97 D112 A191 I192 L195 | P73-Y110 HydrophobicContact CB-CE2 4.3Å; A74-Y110 WeakPolarHBondContact O-CA 3.19Å; A74-Y110 WeakPolarHBondContact O-CD2 3.46Å; V75-Y110 HydrophobicContact CG2-CD2 4.17Å; V97-Y110 HydrophobicContact CG1-CE2 4.44Å; Y110-D112 HydrophobicContact CE1-CB 3.85Å; Y110-A191 HydrophobicContact CE1-CB 3.94Å; Y110-A191 HydrophobicContact CE2-CB 4.14Å; Y110-I192 HydrophobicContact CD1-CD1 4.41Å; Y110-I192 HydrophobicContact CD1-CG1 3.57Å; Y110-I192 HydrophobicContact CE1-CG1 4.45Å; Y110-I192 HydrophobicContact CG-CG1 4.08Å; Y110-L195 HydrophobicContact CD2-CD1 3.91Å; Y110-L195 HydrophobicContact CE2-CD1 3.67Å |
| 111 | H | 98.7 | Very high | 98.1 | Very high | 7 Ų | 7 | 15.9 Ų | 15.9 | 3% | 0.032 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 145.3 | 176.9 | -64.4 | -167.8 | 0 | 0 | 0 | 108.9 | N71 P73 A74 V109 N117 | N71-H111 HydrophobicContact CB-CB 4.08Å; N71-H111 PolarHBondContact ND2-ND1 2.83Å; P73-H111 CarbonylContact C-O 3.57Å; P73-H111 WeakPolarHBondContact CA-O 3.46Å; A74-H111 PolarHBondContact N-O 3.03Å; A74-H111 PolarHBondContact O-N 3.35Å; V109-H111 VanDerWaalsContact CG2-NE2 3.27Å; V109-H111 WeakPolarHBondContact CG2-NE2 3.37Å; H111-N117 PolarHBondContact CE1-OD1 3.27Å; H111-N117 PolarHBondContact ND1-ND2 3.11Å; H111-N117 PolarHBondContact ND1-OD1 3.2Å; H111-N117 PolarHBondContact NE2-OD1 3.02Å |
| 112 | D | 98.6 | Very high | 97.9 | Very high | 15 Ų | 15 | 16.6 Ų | 16.6 | 8% | 0.08 | 11% | 0.109 | C | C | . | . | trans | -147.2 | -169.7 | 161.4 | 64.1 | 15.7 | 0 | 0 | 0 | 108.7 | N71 P73 Y110 G114 N115 A187 D188 | N71-D112 CarbonylContact O-C 3.49Å; N71-D112 WeakPolarHBondContact O-CA 3.42Å; N71-D112 VanDerWaalsContact O-O 3.1Å; P73-D112 HydrophobicContact CG-CB 4.33Å; Y110-D112 HydrophobicContact CE1-CB 3.85Å; D112-G114 PolarHBondContact O-N 2.8Å; D112-G114 VanDerWaalsContact OD1-CA 3.25Å; D112-G114 WeakPolarHBondContact OD1-CA 3.46Å; D112-G114 PolarHBondContact OD1-N 3.4Å; D112-N115 PolarHBondContact O-N 2.81Å; D112-N115 VanDerWaalsContact O-N 3.08Å; D112-N115 PolarHBondContact OD1-N 3.02Å; D112-A187 WeakPolarHBondContact OD1-CA 3.15Å; D112-A187 WeakPolarHBondContact OD1-CB 3.38Å; D112-A187 WeakPolarHBondContact OD2-CA 3.28Å; D112-D188 PolarHBondContact OD2-N 3.3Å | ||
| 113 | L | 98.6 | Very high | 97.7 | Very high | 86 Ų | 86 | 16.4 Ų | 16.4 | 45% | 0.45 | 11% | 0.109 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -12.5 | -179.3 | -59.7 | -179.2 | 0 | 0 | 0 | 113.8 | T42 R70 N71 | T42-L113 HydrophobicContact CG2-CD2 3.66Å; R70-L113 WeakPolarHBondContact CD-O 3.39Å; R70-L113 PolarHBondContact NH1-O 2.95Å; N71-L113 PolarHBondContact O-N 3.17Å |
| 114 | G | 98.4 | Very high | 97.4 | Very high | 6 Ų | 6 | 20.5 Ų | 20.5 | 6% | 0.062 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 1.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D112 H185 S186 A187 | D112-G114 PolarHBondContact O-N 2.8Å; D112-G114 VanDerWaalsContact OD1-CA 3.25Å; D112-G114 WeakPolarHBondContact OD1-CA 3.46Å; D112-G114 PolarHBondContact OD1-N 3.4Å; G114-H185 WeakPolarHBondContact O-CA 3.4Å; G114-H185 WeakPolarHBondContact O-CB 3.33Å; G114-H185 PolarHBondContact O-N 3.42Å; G114-S186 PolarHBondContact O-N 3.36Å; G114-A187 PolarHBondContact O-N 3.05Å |
| 115 | N | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.005 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 117.3 | 175.2 | 170.6 | 84.1 | 0 | 0 | 0 | 111 | R70 D112 N117 T182 L184 A187 | R70-N115 WeakPolarHBondContact CG-O 3.46Å; D112-N115 PolarHBondContact O-N 2.81Å; D112-N115 VanDerWaalsContact O-N 3.08Å; D112-N115 PolarHBondContact OD1-N 3.02Å; N115-N117 PolarHBondContact ND2-OD1 3.45Å; N115-T182 VanDerWaalsContact OD1-CB 3.31Å; N115-T182 WeakPolarHBondContact OD1-CB 3.49Å; N115-L184 HydrophobicContact CB-CD2 4.34Å; N115-A187 HydrophobicContact CB-CB 4.35Å |
| 116 | L | 98.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 135.2 | 172.5 | 178.7 | 60.1 | 0 | 0 | 0 | 110.3 | L118 T182 L183 W227 L230 L231 | L116-L118 HydrophobicContact CD2-CD1 4.01Å; L116-L118 HydrophobicContact CD2-CG 4.26Å; L116-L118 HydrophobicContact CG-CD1 3.89Å; L116-L118 HydrophobicContact CG-CG 4.22Å; L116-T182 CarbonylContact O-C 3.58Å; L116-T182 WeakPolarHBondContact O-CA 3.44Å; L116-L183 HydrophobicContact CB-CB 4.26Å; L116-L183 PolarHBondContact N-O 2.99Å; L116-L183 PolarHBondContact O-N 3.41Å; L116-W227 HydrophobicContact CB-CH2 3.58Å; L116-W227 HydrophobicContact CB-CZ2 4.2Å; L116-W227 HydrophobicContact CB-CZ3 4.4Å; L116-W227 HydrophobicContact CD1-CH2 4.19Å; L116-W227 HydrophobicContact CD1-CZ2 3.96Å; L116-W227 HydrophobicContact CG-CH2 4.41Å; L116-L230 HydrophobicContact CD2-CD2 4.35Å; L116-L230 HydrophobicContact CD2-CG 4.47Å; L116-L231 HydrophobicContact CD1-CD2 3.68Å; L116-L231 HydrophobicContact CD2-CD2 3.95Å; L116-L231 HydrophobicContact CG-CD2 4.49Å |
| 117 | N | 98.9 | Very high | 96.8 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 136.5 | 168.2 | -52.1 | -63.3 | 0 | 0 | 0 | 109.5 | L68 W69 H111 N115 C181 | L68-N117 WeakPolarHBondContact CA-O 3.35Å; W69-N117 HydrophobicContact CD2-CB 3.59Å; W69-N117 HydrophobicContact CE3-CB 4.11Å; W69-N117 HydrophobicContact CG-CB 3.86Å; W69-N117 HydrophobicContact CZ2-CB 4.09Å; W69-N117 PolarHBondContact N-O 2.76Å; W69-N117 WeakPolarHBondContact O-CA 3.36Å; W69-N117 VanDerWaalsContact O-CB 3.31Å; W69-N117 WeakPolarHBondContact O-CB 3.28Å; W69-N117 PolarHBondContact O-N 3.38Å; W69-N117 PolarHBondContact O-ND2 3.42Å; H111-N117 PolarHBondContact CE1-OD1 3.27Å; H111-N117 PolarHBondContact ND1-ND2 3.11Å; H111-N117 PolarHBondContact ND1-OD1 3.2Å; H111-N117 PolarHBondContact NE2-OD1 3.02Å; N115-N117 PolarHBondContact ND2-OD1 3.45Å; N117-C181 WeakPolarHBondContact CA-O 3.25Å |
| 118 | L | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 129.2 | 176.2 | -55.3 | 93.5 | 0 | 0 | 0 | 108.3 | L66 L67 L68 L116 F120 V136 H180 C181 L183 V234 | L66-L118 HydrophobicContact CD1-CB 4.17Å; L66-L118 HydrophobicContact CD1-CD2 4.42Å; L67-L118 CarbonylContact O-C 3.59Å; L67-L118 WeakPolarHBondContact O-CA 3.5Å; L68-L118 HydrophobicContact CD2-CB 4.25Å; L68-L118 HydrophobicContact CD2-CD2 3.73Å; L68-L118 HydrophobicContact CD2-CG 3.72Å; L116-L118 HydrophobicContact CD2-CD1 4.01Å; L116-L118 HydrophobicContact CD2-CG 4.26Å; L116-L118 HydrophobicContact CG-CD1 3.89Å; L116-L118 HydrophobicContact CG-CG 4.22Å; L118-F120 HydrophobicContact CB-CD2 4.48Å; L118-F120 HydrophobicContact CB-CE2 3.78Å; L118-F120 HydrophobicContact CB-CZ 4.35Å; L118-F120 HydrophobicContact CD2-CE2 4.36Å; L118-F120 HydrophobicContact CD2-CZ 4.18Å; L118-V136 HydrophobicContact CD2-CG2 4.05Å; L118-H180 CarbonylContact O-C 3.54Å; L118-H180 WeakPolarHBondContact O-CA 3.39Å; L118-H180 VanDerWaalsContact O-CB 3.27Å; L118-H180 WeakPolarHBondContact O-CB 3.02Å; L118-C181 PolarHBondContact N-O 2.92Å; L118-C181 PolarHBondContact O-N 3.47Å; L118-L183 HydrophobicContact CD1-CB 4.19Å; L118-V234 HydrophobicContact CD2-CG1 3.41Å; L118-V234 VanDerWaalsContact CD2-CG1 3.41Å; L118-V234 HydrophobicContact CD2-CG2 4.35Å |
| 119 | T | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 119.5 | 171.9 | -51.1 | 0 | 0 | 0 | 0 | 110.1 | E51 L66 L67 W69 F121 Y178 H180 | E51-T119 HydrophobicContact CG-CG2 4.12Å; E51-T119 WeakPolarHBondContact OE1-CB 3.23Å; E51-T119 WeakPolarHBondContact OE1-CG2 3.49Å; E51-T119 PolarHBondContact OE1-OG1 2.71Å; L66-T119 CarbonylContact C-O 3.6Å; L66-T119 WeakPolarHBondContact CA-O 3.4Å; L67-T119 PolarHBondContact N-O 2.94Å; L67-T119 PolarHBondContact O-N 3.47Å; W69-T119 PolarHBondContact NE1-OG1 3.14Å; T119-F121 HydrophobicContact CG2-CD1 4.46Å; T119-F121 HydrophobicContact CG2-CD2 3.92Å; T119-F121 HydrophobicContact CG2-CE1 3.97Å; T119-F121 HydrophobicContact CG2-CE2 3.37Å; T119-F121 HydrophobicContact CG2-CG 4.44Å; T119-F121 HydrophobicContact CG2-CZ 3.4Å; T119-F121 VanDerWaalsContact CG2-CZ 3.4Å; T119-Y178 HydrophobicContact CG2-CD2 4.02Å; T119-Y178 HydrophobicContact CG2-CG 4.11Å; T119-H180 HydrophobicContact CG2-CB 4.12Å; T119-H180 WeakPolarHBondContact OG1-CB 3.36Å |
| 120 | F | 98.2 | Very high | 96.6 | Very high | 5 Ų | 5 | 42.9 Ų | 42.9 | 2% | 0.022 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 108.6 | 176.9 | -59.4 | -99.3 | 0 | 0 | 0 | 108.8 | L66 L118 N132 V135 V136 Y178 H179 Y238 | L66-F120 HydrophobicContact CD1-CD1 4.01Å; L66-F120 HydrophobicContact CD1-CD2 4.42Å; L66-F120 HydrophobicContact CD1-CE1 3.83Å; L66-F120 HydrophobicContact CD1-CE2 4.25Å; L66-F120 HydrophobicContact CD1-CG 4.3Å; L66-F120 HydrophobicContact CD1-CZ 3.95Å; L118-F120 HydrophobicContact CB-CD2 4.48Å; L118-F120 HydrophobicContact CB-CE2 3.78Å; L118-F120 HydrophobicContact CB-CZ 4.35Å; L118-F120 HydrophobicContact CD2-CE2 4.36Å; L118-F120 HydrophobicContact CD2-CZ 4.18Å; F120-N132 HydrophobicContact CB-CB 4.37Å; F120-N132 WeakPolarHBondContact CB-ND2 3.41Å; F120-N132 HydrophobicContact CD1-CB 3.92Å; F120-N132 HydrophobicContact CD2-CB 3.86Å; F120-N132 HydrophobicContact CE1-CB 4.12Å; F120-N132 HydrophobicContact CE2-CB 4.06Å; F120-N132 HydrophobicContact CG-CB 3.8Å; F120-N132 HydrophobicContact CZ-CB 4.19Å; F120-V135 HydrophobicContact CE1-CB 4.41Å; F120-V135 HydrophobicContact CE1-CG1 4.23Å; F120-V136 HydrophobicContact CE2-CG2 4.45Å; F120-V136 HydrophobicContact CZ-CG2 4.09Å; F120-Y178 VanDerWaalsContact O-CA 3.28Å; F120-Y178 WeakPolarHBondContact O-CA 3.2Å; F120-H179 WeakPolarHBondContact CD2-O 3.5Å; F120-H179 PolarHBondContact N-O 2.87Å; F120-H179 PolarHBondContact O-N 3.16Å; F120-Y238 AromaticContact CD1-CD2 3.99Å; F120-Y238 HydrophobicContact CD1-CD2 3.99Å; F120-Y238 AromaticContact CD1-CE2 3.79Å; F120-Y238 HydrophobicContact CD1-CE2 3.79Å; F120-Y238 AromaticContact CE1-CD2 3.8Å; F120-Y238 HydrophobicContact CE1-CD2 3.8Å; F120-Y238 HydrophobicContact CE1-CE2 4.1Å |
| 121 | F | 97.3 | Very high | 96.5 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.009 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 134.2 | 175.2 | -60.2 | -92.8 | 0 | 0 | 0 | 110.5 | E51 I54 D55 L60 S64 I65 L67 T119 Y178 | E51-F121 HydrophobicContact CB-CZ 4.27Å; E51-F121 HydrophobicContact CG-CE1 4.2Å; E51-F121 HydrophobicContact CG-CZ 3.85Å; E51-F121 WeakPolarHBondContact O-CE1 3.31Å; I54-F121 HydrophobicContact CB-CD1 4.38Å; I54-F121 HydrophobicContact CB-CE1 3.91Å; I54-F121 HydrophobicContact CB-CE2 4.41Å; I54-F121 HydrophobicContact CB-CZ 3.92Å; I54-F121 HydrophobicContact CD1-CE2 4.14Å; I54-F121 HydrophobicContact CD1-CZ 4.22Å; I54-F121 HydrophobicContact CG2-CD1 3.66Å; I54-F121 HydrophobicContact CG2-CD2 3.99Å; I54-F121 HydrophobicContact CG2-CE1 3.69Å; I54-F121 HydrophobicContact CG2-CE2 4Å; I54-F121 HydrophobicContact CG2-CG 3.81Å; I54-F121 HydrophobicContact CG2-CZ 3.85Å; D55-F121 HydrophobicContact CB-CE1 4.34Å; L60-F121 HydrophobicContact CD1-CB 3.8Å; L60-F121 HydrophobicContact CD1-CD1 4.27Å; L60-F121 HydrophobicContact CD1-CG 4.48Å; L60-F121 HydrophobicContact CD2-CB 3.81Å; L60-F121 HydrophobicContact CG-CB 4.47Å; S64-F121 WeakPolarHBondContact CA-O 3.38Å; I65-F121 HydrophobicContact CB-CB 4.06Å; I65-F121 HydrophobicContact CB-CD2 4.02Å; I65-F121 HydrophobicContact CB-CG 4.42Å; I65-F121 HydrophobicContact CG2-CD2 4.2Å; I65-F121 PolarHBondContact N-O 2.98Å; I65-F121 PolarHBondContact O-N 3.35Å; L67-F121 HydrophobicContact CB-CE2 3.86Å; L67-F121 HydrophobicContact CD2-CE2 4.39Å; T119-F121 HydrophobicContact CG2-CD1 4.46Å; T119-F121 HydrophobicContact CG2-CD2 3.92Å; T119-F121 HydrophobicContact CG2-CE1 3.97Å; T119-F121 HydrophobicContact CG2-CE2 3.37Å; T119-F121 HydrophobicContact CG2-CG 4.44Å; T119-F121 HydrophobicContact CG2-CZ 3.4Å; T119-F121 VanDerWaalsContact CG2-CZ 3.4Å; F121-Y178 HydrophobicContact CD1-CD1 4.44Å; F121-Y178 HydrophobicContact CD1-CG 4.42Å; F121-Y178 HydrophobicContact CE1-CD1 4.06Å; F121-Y178 HydrophobicContact CE1-CG 4.17Å |
| 122 | A | 94.7 | Very high | 96.5 | Very high | 16 Ų | 16 | 46.8 Ų | 46.8 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 164.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | A126 S177 | A122-A126 HydrophobicContact CB-CB 4.16Å; A122-S177 PolarHBondContact N-O 3.34Å; A122-S177 PolarHBondContact O-N 3.01Å; A122-S177 PolarHBondContact O-OG 3.46Å; A122-S177 VanDerWaalsContact O-OG 3.1Å |
| 123 | S | 94.4 | Very high | 96.4 | Very high | 9 Ų | 9 | 46.1 Ų | 46.1 | 6% | 0.063 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 154.8 | 163.3 | 73.2 | 0 | 0 | 0 | 0 | 110.7 | L60 K125 A126 Y127 S177 | L60-S123 VanDerWaalsContact O-CB 3.29Å; L60-S123 WeakPolarHBondContact O-CB 3.38Å; L60-S123 PolarHBondContact O-N 2.74Å; L60-S123 VanDerWaalsContact O-N 3.11Å; S123-K125 PolarHBondContact O-N 2.54Å; S123-K125 VanDerWaalsContact O-N 3.13Å; S123-K125 PolarHBondContact OG-N 3.19Å; S123-A126 CarbonylContact O-C 3.17Å; S123-A126 PolarHBondContact O-N 3.37Å; S123-A126 WeakPolarHBondContact OG-CB 3.33Å; S123-A126 PolarHBondContact OG-N 2.98Å; S123-A126 VanDerWaalsContact OG-N 3.15Å; S123-Y127 PolarHBondContact O-N 2.88Å; S123-Y127 VanDerWaalsContact O-N 3.13Å; S123-S177 PolarHBondContact O-OG 2.98Å |
| 124 | K | 92.6 | Very high | 96.4 | Very high | 123 Ų | 123 | 46.9 Ų | 46.9 | 54% | 0.535 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.7 | 174.6 | -173.7 | 175.7 | 178.7 | 178.6 | 0 | 113.1 | Y127 K175 | K124-Y127 WeakPolarHBondContact O-CB 3.45Å; K124-K175 PolarHBondContact N-O 2.88Å |
| 125 | K | 91.5 | Very high | 96.4 | Very high | 206 Ų | 206 | 46.6 Ų | 46.6 | 90% | 0.896 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -35.6 | 177.7 | -176.8 | -179.3 | 175.9 | -175 | 0 | 112.2 | S123 Y127 | S123-K125 PolarHBondContact O-N 2.54Å; S123-K125 VanDerWaalsContact O-N 3.13Å; S123-K125 PolarHBondContact OG-N 3.19Å; K125-Y127 VanDerWaalsContact C-N 3.31Å |
| 126 | A | 91.7 | Very high | 96.4 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 52% | 0.521 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -90.5 | 5.9 | 180 | 0 | 0 | 0 | 0 | 0 | 113.2 | A122 S123 D128 | A122-A126 HydrophobicContact CB-CB 4.16Å; S123-A126 CarbonylContact O-C 3.17Å; S123-A126 PolarHBondContact O-N 3.37Å; S123-A126 WeakPolarHBondContact OG-CB 3.33Å; S123-A126 PolarHBondContact OG-N 2.98Å; S123-A126 VanDerWaalsContact OG-N 3.15Å; A126-D128 PolarHBondContact O-N 3.39Å; A126-D128 VanDerWaalsContact O-N 3.12Å |
| 127 | Y | 92.9 | Very high | 96.4 | Very high | 53 Ų | 53 | 46.7 Ų | 46.7 | 21% | 0.208 | 21% | 0.214 | C | C | . | . | trans | -66.9 | 107.4 | -179.3 | -179.9 | -113.5 | 0 | 0 | 0 | 112.1 | S123 K124 K125 R129 S170 L172 S177 H179 | S123-Y127 PolarHBondContact O-N 2.88Å; S123-Y127 VanDerWaalsContact O-N 3.13Å; K124-Y127 WeakPolarHBondContact O-CB 3.45Å; K125-Y127 VanDerWaalsContact C-N 3.31Å; Y127-R129 HydrophobicContact CE1-CG 4.19Å; Y127-R129 HydrophobicContact CE2-CG 3.87Å; Y127-R129 WeakPolarHBondContact OH-CD 3.49Å; Y127-R129 VanDerWaalsContact OH-CG 3.3Å; Y127-R129 WeakPolarHBondContact OH-CG 3.46Å; Y127-R129 PolarHBondContact OH-NE 2.95Å; Y127-R129 VanDerWaalsContact OH-NE 3.17Å; Y127-S170 WeakPolarHBondContact OH-CB 3.29Å; Y127-S170 PolarHBondContact OH-OG 2.94Å; Y127-L172 HydrophobicContact CD1-CD2 3.79Å; Y127-L172 HydrophobicContact CD2-CD2 4.16Å; Y127-L172 HydrophobicContact CE1-CD2 3.76Å; Y127-L172 HydrophobicContact CE2-CD2 4.12Å; Y127-L172 HydrophobicContact CG-CD2 3.96Å; Y127-S177 WeakPolarHBondContact CB-OG 3.36Å; Y127-S177 VanDerWaalsContact CD2-CB 3.4Å; Y127-S177 WeakPolarHBondContact CD2-OG 3.31Å; Y127-H179 HydrophobicContact CE2-CB 4.1Å | ||
| 128 | D | 95.1 | Very high | 96.3 | Very high | 73 Ų | 73 | 48.1 Ų | 48.1 | 39% | 0.39 | 22% | 0.222 | S | C | . | . | trans | -141 | 100.9 | 176.4 | -172 | -19.4 | 0 | 0 | 0 | 111.5 | A126 R130 R131 N132 | A126-D128 PolarHBondContact O-N 3.39Å; A126-D128 VanDerWaalsContact O-N 3.12Å; D128-R130 PolarHBondContact OD1-N 3.22Å; D128-R131 HydrophobicContact CB-CB 3.81Å; D128-R131 VanDerWaalsContact CG-CB 3.41Å; D128-R131 PolarHBondContact OD1-N 3.27Å; D128-N132 PolarHBondContact O-N 3.47Å; D128-N132 VanDerWaalsContact O-N 3.16Å; D128-N132 PolarHBondContact O-ND2 3.17Å; D128-N132 PolarHBondContact O-OD1 3.24Å | ||
| 129 | R | 96.7 | Very high | 96.3 | Very high | 88 Ų | 88 | 48.1 Ų | 48.1 | 33% | 0.332 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.4 | -35.4 | 178.5 | -65.7 | -173.1 | -79.6 | 175.4 | 5.5 | 113.1 | Y127 R131 N132 L133 L155 H179 | Y127-R129 HydrophobicContact CE1-CG 4.19Å; Y127-R129 HydrophobicContact CE2-CG 3.87Å; Y127-R129 WeakPolarHBondContact OH-CD 3.49Å; Y127-R129 VanDerWaalsContact OH-CG 3.3Å; Y127-R129 WeakPolarHBondContact OH-CG 3.46Å; Y127-R129 PolarHBondContact OH-NE 2.95Å; Y127-R129 VanDerWaalsContact OH-NE 3.17Å; R129-R131 VanDerWaalsContact C-N 3.34Å; R129-N132 PolarHBondContact O-N 2.91Å; R129-L133 WeakPolarHBondContact O-CG 3.23Å; R129-L133 PolarHBondContact O-N 3.09Å; R129-L155 HydrophobicContact CB-CD1 3.77Å; R129-L155 HydrophobicContact CG-CD1 4.35Å; R129-H179 HydrophobicContact CG-CB 4.01Å |
| 130 | R | 97.1 | Very high | 96.3 | Very high | 127 Ų | 127 | 48.1 Ų | 48.1 | 48% | 0.479 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -68.3 | -40.4 | -178.8 | -72.6 | -172.1 | -177.1 | -93.9 | 11.2 | 109.9 | D128 L133 K134 D153 L155 | D128-R130 PolarHBondContact OD1-N 3.22Å; R130-L133 PolarHBondContact O-N 3.23Å; R130-K134 WeakPolarHBondContact O-CB 3.45Å; R130-K134 PolarHBondContact O-N 2.91Å; R130-D153 IonicContact CZ-OD1 3.77Å; R130-D153 IonicContact NH1-OD1 3.04Å; R130-D153 PolarHBondContact NH1-OD1 3.13Å; R130-D153 IonicContact NH2-OD1 3.6Å; R130-D153 PolarHBondContact NH2-OD1 3.19Å; R130-L155 HydrophobicContact CG-CD2 3.49Å; R130-L155 VanDerWaalsContact CG-CD2 3.49Å |
| 131 | R | 96.4 | Very high | 96.2 | Very high | 92 Ų | 92 | 52.5 Ų | 52.5 | 35% | 0.347 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 172 | -170.5 | 177.2 | -171.9 | -158.7 | -5.4 | 112.1 | D128 R129 L133 K134 V135 E241 | D128-R131 HydrophobicContact CB-CB 3.81Å; D128-R131 VanDerWaalsContact CG-CB 3.41Å; D128-R131 PolarHBondContact OD1-N 3.27Å; R129-R131 VanDerWaalsContact C-N 3.34Å; R131-L133 PolarHBondContact O-N 2.94Å; R131-K134 WeakPolarHBondContact O-CB 3.42Å; R131-K134 PolarHBondContact O-N 3.44Å; R131-K134 VanDerWaalsContact O-N 3.17Å; R131-V135 PolarHBondContact O-N 3.37Å; R131-E241 HydrophobicContact CG-CG 4.5Å; R131-E241 IonicContact CZ-OE1 3.3Å; R131-E241 IonicContact NE-OE1 2.94Å; R131-E241 PolarHBondContact NE-OE1 3.13Å; R131-E241 PolarHBondContact NH2-O 3.08Å; R131-E241 IonicContact NH2-OE1 3.24Å; R131-E241 PolarHBondContact NH2-OE1 3.37Å |
| 132 | N | 97.8 | Very high | 96.2 | Very high | 13 Ų | 13 | 57.9 Ų | 57.9 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.5 | -42 | 176.4 | -63 | -21.5 | 0 | 0 | 0 | 112.4 | F120 D128 R129 K134 V135 V136 H179 | F120-N132 HydrophobicContact CB-CB 4.37Å; F120-N132 WeakPolarHBondContact CB-ND2 3.41Å; F120-N132 HydrophobicContact CD1-CB 3.92Å; F120-N132 HydrophobicContact CD2-CB 3.86Å; F120-N132 HydrophobicContact CE1-CB 4.12Å; F120-N132 HydrophobicContact CE2-CB 4.06Å; F120-N132 HydrophobicContact CG-CB 3.8Å; F120-N132 HydrophobicContact CZ-CB 4.19Å; D128-N132 PolarHBondContact O-N 3.47Å; D128-N132 VanDerWaalsContact O-N 3.16Å; D128-N132 PolarHBondContact O-ND2 3.17Å; D128-N132 PolarHBondContact O-OD1 3.24Å; R129-N132 PolarHBondContact O-N 2.91Å; N132-K134 VanDerWaalsContact C-N 3.32Å; N132-V135 WeakPolarHBondContact O-CB 3.27Å; N132-V135 PolarHBondContact O-N 2.8Å; N132-V136 PolarHBondContact O-N 3.03Å; N132-H179 WeakPolarHBondContact CB-ND1 2.85Å; N132-H179 PolarHBondContact ND2-ND1 2.94Å |
| 133 | L | 98.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.3 | -29.6 | 175.5 | -64.9 | -177.2 | 0 | 0 | 0 | 113 | R129 R130 R131 V135 V136 T137 A151 L155 I157 T168 C181 | R129-L133 WeakPolarHBondContact O-CG 3.23Å; R129-L133 PolarHBondContact O-N 3.09Å; R130-L133 PolarHBondContact O-N 3.23Å; R131-L133 PolarHBondContact O-N 2.94Å; L133-V135 VanDerWaalsContact C-N 3.32Å; L133-V136 PolarHBondContact O-N 2.82Å; L133-T137 WeakPolarHBondContact O-CG2 3.06Å; L133-T137 PolarHBondContact O-N 3.28Å; L133-T137 PolarHBondContact O-OG1 2.71Å; L133-A151 HydrophobicContact CB-CB 3.94Å; L133-A151 HydrophobicContact CD1-CB 3.95Å; L133-L155 HydrophobicContact CD1-CB 3.78Å; L133-L155 HydrophobicContact CD1-CD2 4.13Å; L133-L155 WeakPolarHBondContact CD1-O 3.4Å; L133-I157 HydrophobicContact CD2-CD1 3.98Å; L133-I157 HydrophobicContact CD2-CG1 4.03Å; L133-T168 HydrophobicContact CD1-CG2 4.17Å; L133-T168 HydrophobicContact CD2-CG2 3.67Å; L133-T168 HydrophobicContact CG-CG2 4.35Å; L133-C181 HydrophobicContact CD2-CB 4.45Å |
| 134 | K | 97.9 | Very high | 96.4 | Very high | 102 Ų | 102 | 59.3 Ų | 59.3 | 44% | 0.443 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 171.1 | -171.2 | 177.1 | -179.7 | -63.6 | 0 | 111 | R130 R131 N132 V136 T137 D138 | R130-K134 WeakPolarHBondContact O-CB 3.45Å; R130-K134 PolarHBondContact O-N 2.91Å; R131-K134 WeakPolarHBondContact O-CB 3.42Å; R131-K134 PolarHBondContact O-N 3.44Å; R131-K134 VanDerWaalsContact O-N 3.17Å; N132-K134 VanDerWaalsContact C-N 3.32Å; K134-V136 VanDerWaalsContact C-N 3.32Å; K134-V136 PolarHBondContact O-N 2.99Å; K134-T137 WeakPolarHBondContact CA-OG1 3.41Å; K134-T137 PolarHBondContact O-N 3.06Å; K134-T137 PolarHBondContact O-OG1 2.84Å; K134-D138 WeakPolarHBondContact CG-OD2 3.38Å; K134-D138 IonicContact NZ-OD2 3.47Å; K134-D138 PolarHBondContact NZ-OD2 3.33Å; K134-D138 VanDerWaalsContact O-CB 3.28Å; K134-D138 WeakPolarHBondContact O-CB 3.48Å; K134-D138 VanDerWaalsContact O-CG 3.28Å; K134-D138 PolarHBondContact O-N 2.91Å |
| 135 | V | 98.1 | Very high | 96.5 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -55.7 | -47 | 171.9 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | F120 R131 N132 L133 A139 Q237 Y238 E241 F242 | F120-V135 HydrophobicContact CE1-CB 4.41Å; F120-V135 HydrophobicContact CE1-CG1 4.23Å; R131-V135 PolarHBondContact O-N 3.37Å; N132-V135 WeakPolarHBondContact O-CB 3.27Å; N132-V135 PolarHBondContact O-N 2.8Å; L133-V135 VanDerWaalsContact C-N 3.32Å; V135-A139 VanDerWaalsContact O-CB 3.28Å; V135-A139 WeakPolarHBondContact O-CB 3.47Å; V135-A139 PolarHBondContact O-N 2.86Å; V135-Q237 HydrophobicContact CB-CG 4.2Å; V135-Q237 HydrophobicContact CG1-CB 4.13Å; V135-Q237 HydrophobicContact CG1-CG 3.86Å; V135-Q237 WeakPolarHBondContact O-CG 3.41Å; V135-Y238 HydrophobicContact CG1-CD2 4.48Å; V135-E241 HydrophobicContact CG2-CB 3.86Å; V135-E241 HydrophobicContact CG2-CG 3.71Å; V135-F242 HydrophobicContact CG2-CE2 4.19Å |
| 136 | V | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -66.6 | -47.8 | -180 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | L118 F120 N132 L133 K134 D138 A139 L140 I157 L183 | L118-V136 HydrophobicContact CD2-CG2 4.05Å; F120-V136 HydrophobicContact CE2-CG2 4.45Å; F120-V136 HydrophobicContact CZ-CG2 4.09Å; N132-V136 PolarHBondContact O-N 3.03Å; L133-V136 PolarHBondContact O-N 2.82Å; K134-V136 VanDerWaalsContact C-N 3.32Å; K134-V136 PolarHBondContact O-N 2.99Å; V136-D138 PolarHBondContact O-N 2.92Å; V136-A139 PolarHBondContact O-N 3.31Å; V136-L140 HydrophobicContact CG1-CD1 4.28Å; V136-L140 WeakPolarHBondContact O-CG 3.25Å; V136-L140 PolarHBondContact O-N 2.98Å; V136-L140 VanDerWaalsContact O-N 3.1Å; V136-I157 HydrophobicContact CB-CD1 3.81Å; V136-I157 HydrophobicContact CG1-CD1 3.55Å; V136-L183 HydrophobicContact CG1-CD1 4.39Å; V136-L183 HydrophobicContact CG1-CD2 4.03Å |
| 137 | T | 98.4 | Very high | 96.8 | Very high | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.2 | -38.9 | -178.1 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | L133 K134 L140 R141 V149 I157 | L133-T137 WeakPolarHBondContact O-CG2 3.06Å; L133-T137 PolarHBondContact O-N 3.28Å; L133-T137 PolarHBondContact O-OG1 2.71Å; K134-T137 WeakPolarHBondContact CA-OG1 3.41Å; K134-T137 PolarHBondContact O-N 3.06Å; K134-T137 PolarHBondContact O-OG1 2.84Å; T137-L140 PolarHBondContact O-N 3.45Å; T137-R141 WeakPolarHBondContact O-CG 3.01Å; T137-R141 PolarHBondContact O-N 2.79Å; T137-V149 HydrophobicContact CG2-CB 4.37Å; T137-V149 HydrophobicContact CG2-CG2 4.18Å; T137-I157 HydrophobicContact CG2-CD1 4.02Å; T137-I157 HydrophobicContact CG2-CG1 4.26Å; T137-I157 HydrophobicContact CG2-CG2 3.81Å |
| 138 | D | 98.3 | Very high | 96.9 | Very high | 33 Ų | 33 | 52.4 Ų | 52.4 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.7 | -35.4 | 177.5 | -70.1 | -12 | 0 | 0 | 0 | 112.3 | K134 V136 L140 R141 R142 Q237 | K134-D138 WeakPolarHBondContact CG-OD2 3.38Å; K134-D138 IonicContact NZ-OD2 3.47Å; K134-D138 PolarHBondContact NZ-OD2 3.33Å; K134-D138 VanDerWaalsContact O-CB 3.28Å; K134-D138 WeakPolarHBondContact O-CB 3.48Å; K134-D138 VanDerWaalsContact O-CG 3.28Å; K134-D138 PolarHBondContact O-N 2.91Å; V136-D138 PolarHBondContact O-N 2.92Å; D138-L140 VanDerWaalsContact C-N 3.34Å; D138-R141 PolarHBondContact O-N 2.71Å; D138-R141 IonicContact OD1-NH1 3.03Å; D138-R141 PolarHBondContact OD1-NH1 3.29Å; D138-R142 WeakPolarHBondContact O-CB 3.37Å; D138-R142 PolarHBondContact O-N 2.82Å; D138-Q237 HydrophobicContact CB-CG 4.15Å |
| 139 | A | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -47.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111 | V135 V136 R142 V143 A233 V234 Q237 | V135-A139 VanDerWaalsContact O-CB 3.28Å; V135-A139 WeakPolarHBondContact O-CB 3.47Å; V135-A139 PolarHBondContact O-N 2.86Å; V136-A139 PolarHBondContact O-N 3.31Å; A139-R142 WeakPolarHBondContact O-CB 3.49Å; A139-R142 PolarHBondContact O-N 3.24Å; A139-V143 PolarHBondContact O-N 3.24Å; A139-A233 HydrophobicContact CB-CB 4.21Å; A139-A233 WeakPolarHBondContact CB-O 3.43Å; A139-V234 HydrophobicContact CB-CG2 4.06Å; A139-Q237 HydrophobicContact CB-CB 3.84Å; A139-Q237 HydrophobicContact CB-CG 4.33Å |
| 140 | L | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.5 | -46.2 | 178.1 | -69.8 | 173.1 | 0 | 0 | 0 | 112.3 | V136 T137 D138 R142 V143 R144 V149 I165 L183 L218 L230 | V136-L140 HydrophobicContact CG1-CD1 4.28Å; V136-L140 WeakPolarHBondContact O-CG 3.25Å; V136-L140 PolarHBondContact O-N 2.98Å; V136-L140 VanDerWaalsContact O-N 3.1Å; T137-L140 PolarHBondContact O-N 3.45Å; D138-L140 VanDerWaalsContact C-N 3.34Å; L140-R142 VanDerWaalsContact C-N 3.28Å; L140-R142 PolarHBondContact O-N 2.64Å; L140-V143 WeakPolarHBondContact O-CG2 3.4Å; L140-V143 PolarHBondContact O-N 2.83Å; L140-R144 CarbonylContact O-C 3.33Å; L140-R144 PolarHBondContact O-N 3.05Å; L140-V149 HydrophobicContact CB-CG2 4.1Å; L140-V149 HydrophobicContact CD1-CG1 4.12Å; L140-V149 HydrophobicContact CD1-CG2 4.36Å; L140-I165 HydrophobicContact CD1-CD1 4.16Å; L140-L183 HydrophobicContact CD1-CD1 4.16Å; L140-L183 HydrophobicContact CD2-CD2 4.38Å; L140-L218 HydrophobicContact CD1-CD2 4.24Å; L140-L218 HydrophobicContact CD2-CD1 3.72Å; L140-L218 HydrophobicContact CD2-CD2 4.06Å; L140-L230 HydrophobicContact CD2-CD1 3.6Å |
| 141 | R | 97.1 | Very high | 97.1 | Very high | 97 Ų | 97 | 45.5 Ų | 45.5 | 37% | 0.366 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.4 | -31.6 | 177.3 | -70.3 | -178 | -161.3 | 122.3 | -3.1 | 112.7 | T137 D138 R144 P145 V149 | T137-R141 WeakPolarHBondContact O-CG 3.01Å; T137-R141 PolarHBondContact O-N 2.79Å; D138-R141 PolarHBondContact O-N 2.71Å; D138-R141 IonicContact OD1-NH1 3.03Å; D138-R141 PolarHBondContact OD1-NH1 3.29Å; R141-R144 CarbonylContact O-C 3.56Å; R141-P145 WeakPolarHBondContact O-CA 3.26Å; R141-P145 WeakPolarHBondContact O-CG 3.48Å; R141-P145 VanDerWaalsContact O-N 3.16Å; R141-V149 HydrophobicContact CG-CG2 4Å; R141-V149 PolarHBondContact NH2-O 3.04Å |
| 142 | R | 95.7 | Very high | 97 | Very high | 115 Ų | 115 | 42.9 Ų | 42.9 | 43% | 0.434 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63 | -50.7 | 175.3 | 176.9 | -175.2 | -70 | 120.2 | 4.6 | 111.2 | D138 A139 L140 | D138-R142 WeakPolarHBondContact O-CB 3.37Å; D138-R142 PolarHBondContact O-N 2.82Å; A139-R142 WeakPolarHBondContact O-CB 3.49Å; A139-R142 PolarHBondContact O-N 3.24Å; L140-R142 VanDerWaalsContact C-N 3.28Å; L140-R142 PolarHBondContact O-N 2.64Å |
| 143 | V | 96.6 | Very high | 96.8 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 17% | 0.17 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -79.9 | -31.2 | -176.8 | -68 | 0 | 0 | 0 | 0 | 112.7 | A139 L140 L225 E229 A233 | A139-V143 PolarHBondContact O-N 3.24Å; L140-V143 WeakPolarHBondContact O-CG2 3.4Å; L140-V143 PolarHBondContact O-N 2.83Å; V143-L225 HydrophobicContact CG2-CD1 3.96Å; V143-E229 HydrophobicContact CB-CG 4.33Å; V143-E229 HydrophobicContact CG1-CG 3.99Å; V143-A233 HydrophobicContact CG1-CB 3.44Å; V143-A233 VanDerWaalsContact CG1-CB 3.44Å; V143-A233 HydrophobicContact CG2-CB 4.3Å |
| 144 | R | 97.3 | Very high | 96.3 | Very high | 27 Ų | 27 | 57.6 Ų | 57.6 | 10% | 0.102 | 28% | 0.277 | C | S | . | . | trans | -136.2 | 81.4 | -179.7 | -61.3 | -67.5 | 177.2 | -91.2 | 5.1 | 109.7 | L140 R141 Q146 L147 A222 S224 L225 E229 | L140-R144 CarbonylContact O-C 3.33Å; L140-R144 PolarHBondContact O-N 3.05Å; R141-R144 CarbonylContact O-C 3.56Å; R144-Q146 VanDerWaalsContact C-OE1 3.28Å; R144-Q146 PolarHBondContact O-N 2.86Å; R144-L147 HydrophobicContact CB-CB 4.48Å; R144-L147 HydrophobicContact CB-CD1 3.63Å; R144-L147 HydrophobicContact CB-CG 3.7Å; R144-L147 HydrophobicContact CG-CD1 4.2Å; R144-L147 WeakPolarHBondContact O-CB 3.49Å; R144-L147 PolarHBondContact O-N 2.79Å; R144-A222 HydrophobicContact CG-CB 4Å; R144-S224 PolarHBondContact NH2-O 2.76Å; R144-S224 PolarHBondContact NH2-OG 3.03Å; R144-L225 HydrophobicContact CG-CD1 4.2Å; R144-E229 IonicContact CZ-OE1 3.39Å; R144-E229 IonicContact CZ-OE2 3.31Å; R144-E229 VanDerWaalsContact CZ-OE2 3.31Å; R144-E229 VanDerWaalsContact NH1-CD 3.34Å; R144-E229 IonicContact NH1-OE1 2.65Å; R144-E229 PolarHBondContact NH1-OE1 3.49Å; R144-E229 IonicContact NH1-OE2 3.41Å; R144-E229 PolarHBondContact NH1-OE2 3.39Å; R144-E229 IonicContact NH2-OE1 3.33Å; R144-E229 PolarHBondContact NH2-OE1 3Å; R144-E229 IonicContact NH2-OE2 2.65Å; R144-E229 PolarHBondContact NH2-OE2 3.43Å | ||
| 145 | P | 94.9 | Very high | 96.1 | Very high | 101 Ų | 101 | 53.3 Ų | 53.3 | 66% | 0.656 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.5 | -177.5 | -26.9 | 35.2 | 0 | 0 | 0 | 115.2 | R141 L147 | R141-P145 WeakPolarHBondContact O-CA 3.26Å; R141-P145 WeakPolarHBondContact O-CG 3.48Å; R141-P145 VanDerWaalsContact O-N 3.16Å; P145-L147 VanDerWaalsContact C-N 3.32Å |
| 146 | Q | 93.3 | Very high | 96 | Very high | 126 Ų | 126 | 54.5 Ų | 54.5 | 59% | 0.589 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.3 | -11.6 | 178.2 | 69.6 | -85.1 | 26.5 | 0 | 0 | 114.4 | R144 D148 | R144-Q146 VanDerWaalsContact C-OE1 3.28Å; R144-Q146 PolarHBondContact O-N 2.86Å; Q146-D148 PolarHBondContact O-N 3.47Å |
| 147 | L | 95.1 | Very high | 96 | Very high | 8 Ų | 8 | 54.5 Ų | 54.5 | 4% | 0.042 | 27% | 0.266 | C | S | . | . | trans | -76.9 | 113.3 | 177.6 | -68.6 | -179.3 | 0 | 0 | 0 | 110.3 | R144 P145 V149 L159 L218 H221 A222 | R144-L147 HydrophobicContact CB-CB 4.48Å; R144-L147 HydrophobicContact CB-CD1 3.63Å; R144-L147 HydrophobicContact CB-CG 3.7Å; R144-L147 HydrophobicContact CG-CD1 4.2Å; R144-L147 WeakPolarHBondContact O-CB 3.49Å; R144-L147 PolarHBondContact O-N 2.79Å; P145-L147 VanDerWaalsContact C-N 3.32Å; L147-V149 HydrophobicContact CB-CG1 4.16Å; L147-V149 PolarHBondContact O-N 3.12Å; L147-L159 HydrophobicContact CB-CD1 4.35Å; L147-L159 HydrophobicContact CD2-CD1 3.97Å; L147-L218 HydrophobicContact CD1-CD2 4Å; L147-H221 HydrophobicContact CD2-CB 3.94Å; L147-A222 HydrophobicContact CD1-CB 4.45Å; L147-A222 HydrophobicContact CD2-CB 4.24Å | ||
| 148 | D | 96.8 | Very high | 96 | Very high | 66 Ų | 66 | 56.1 Ų | 56.1 | 35% | 0.353 | 27% | 0.274 | S | S | . | . | trans | -78 | 85.5 | 170.1 | 177.7 | 27.1 | 0 | 0 | 0 | 110.1 | Q146 Q150 L159 N160 | Q146-D148 PolarHBondContact O-N 3.47Å; D148-Q150 PolarHBondContact OD1-NE2 3.36Å; D148-L159 CarbonylContact O-C 3.13Å; D148-L159 WeakPolarHBondContact O-CA 3.33Å; D148-N160 PolarHBondContact O-N 2.89Å | ||
| 149 | V | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 132.3 | 178 | -67.3 | 0 | 0 | 0 | 0 | 111.5 | T137 L140 R141 L147 I157 L158 L159 I165 | T137-V149 HydrophobicContact CG2-CB 4.37Å; T137-V149 HydrophobicContact CG2-CG2 4.18Å; L140-V149 HydrophobicContact CB-CG2 4.1Å; L140-V149 HydrophobicContact CD1-CG1 4.12Å; L140-V149 HydrophobicContact CD1-CG2 4.36Å; R141-V149 HydrophobicContact CG-CG2 4Å; R141-V149 PolarHBondContact NH2-O 3.04Å; L147-V149 HydrophobicContact CB-CG1 4.16Å; L147-V149 PolarHBondContact O-N 3.12Å; V149-I157 HydrophobicContact CB-CG2 4.12Å; V149-L158 VanDerWaalsContact CA-O 3.31Å; V149-L158 WeakPolarHBondContact CA-O 3.5Å; V149-L159 HydrophobicContact CG1-CD1 3.88Å; V149-I165 HydrophobicContact CG1-CD1 3.72Å |
| 150 | Q | 97.1 | Very high | 95.9 | Very high | 101 Ų | 101 | 57.6 Ų | 57.6 | 47% | 0.472 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 135 | -176.8 | -57.6 | -177.1 | 26.2 | 0 | 0 | 111.5 | D148 I157 L158 | D148-Q150 PolarHBondContact OD1-NE2 3.36Å; Q150-I157 WeakPolarHBondContact O-CA 3.49Å; Q150-L158 PolarHBondContact N-O 3.12Å; Q150-L158 PolarHBondContact O-N 3.4Å |
| 151 | A | 97.1 | Very high | 95.8 | Very high | 41 Ų | 41 | 59.9 Ų | 59.9 | 34% | 0.339 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 128.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110 | L133 D156 | L133-A151 HydrophobicContact CB-CB 3.94Å; L133-A151 HydrophobicContact CD1-CB 3.95Å; A151-D156 CarbonylContact C-O 3.55Å; A151-D156 WeakPolarHBondContact CA-O 3.24Å |
| 152 | T | 95.6 | Very high | 95.7 | Very high | 38 Ų | 38 | 61.2 Ų | 61.2 | 23% | 0.233 | 32% | 0.315 | C | S | . | . | trans | -83.6 | 171.2 | 178.3 | 63.3 | 0 | 0 | 0 | 0 | 111.8 | R154 L155 D156 L158 | T152-R154 PolarHBondContact O-N 2.75Å; T152-R154 PolarHBondContact OG1-N 3.22Å; T152-L155 WeakPolarHBondContact O-CA 3.29Å; T152-L155 PolarHBondContact O-N 2.96Å; T152-L155 PolarHBondContact OG1-N 2.93Å; T152-D156 PolarHBondContact N-O 3.5Å; T152-D156 PolarHBondContact OG1-N 3.29Å; T152-D156 PolarHBondContact OG1-O 2.81Å; T152-L158 HydrophobicContact CG2-CD1 3.48Å; T152-L158 VanDerWaalsContact CG2-CD1 3.48Å; T152-L158 HydrophobicContact CG2-CD2 4.46Å; T152-L158 HydrophobicContact CG2-CG 3.54Å | ||
| 153 | D | 91.8 | Very high | 95.8 | Very high | 131 Ų | 131 | 59.8 Ų | 59.8 | 70% | 0.701 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -25.7 | 172.4 | -72.5 | -36.1 | 0 | 0 | 0 | 114.2 | R130 L155 | R130-D153 IonicContact CZ-OD1 3.77Å; R130-D153 IonicContact NH1-OD1 3.04Å; R130-D153 PolarHBondContact NH1-OD1 3.13Å; R130-D153 IonicContact NH2-OD1 3.6Å; R130-D153 PolarHBondContact NH2-OD1 3.19Å; D153-L155 PolarHBondContact O-N 3.2Å |
| 154 | R | 88.9 | Confident | 95.9 | Very high | 191 Ų | 191 | 60.3 Ų | 60.3 | 72% | 0.721 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | 0.9 | 171.3 | -57.9 | -171.9 | -152 | -169.7 | 7.4 | 112.8 | T152 D156 | T152-R154 PolarHBondContact O-N 2.75Å; T152-R154 PolarHBondContact OG1-N 3.22Å; R154-D156 VanDerWaalsContact C-N 3.31Å |
| 155 | L | 94.1 | Very high | 95.9 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | S | Bend | trans | 64.7 | 35.4 | 179.5 | -51.3 | 170.5 | 0 | 0 | 0 | 112.3 | R129 R130 L133 T152 D153 T168 | R129-L155 HydrophobicContact CB-CD1 3.77Å; R129-L155 HydrophobicContact CG-CD1 4.35Å; R130-L155 HydrophobicContact CG-CD2 3.49Å; R130-L155 VanDerWaalsContact CG-CD2 3.49Å; L133-L155 HydrophobicContact CD1-CB 3.78Å; L133-L155 HydrophobicContact CD1-CD2 4.13Å; L133-L155 WeakPolarHBondContact CD1-O 3.4Å; T152-L155 WeakPolarHBondContact O-CA 3.29Å; T152-L155 PolarHBondContact O-N 2.96Å; T152-L155 PolarHBondContact OG1-N 2.93Å; D153-L155 PolarHBondContact O-N 3.2Å; L155-T168 WeakPolarHBondContact O-CB 3.48Å; L155-T168 WeakPolarHBondContact O-CG2 3.39Å; L155-T168 PolarHBondContact O-OG1 3.09Å |
| 156 | D | 95.5 | Very high | 96.1 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 13% | 0.134 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -94.5 | 154.1 | 161 | -68.9 | -32 | 0 | 0 | 0 | 109.8 | A151 T152 R154 K164 S166 | A151-D156 CarbonylContact C-O 3.55Å; A151-D156 WeakPolarHBondContact CA-O 3.24Å; T152-D156 PolarHBondContact N-O 3.5Å; T152-D156 PolarHBondContact OG1-N 3.29Å; T152-D156 PolarHBondContact OG1-O 2.81Å; R154-D156 VanDerWaalsContact C-N 3.31Å; D156-K164 HydrophobicContact CB-CD 4.35Å; D156-K164 HydrophobicContact CB-CG 4.46Å; D156-K164 WeakPolarHBondContact OD1-CE 3.33Å; D156-K164 IonicContact OD1-NZ 2.71Å; D156-K164 PolarHBondContact OD1-NZ 2.71Å; D156-K164 WeakPolarHBondContact OD2-CE 3.27Å; D156-K164 IonicContact OD2-NZ 2.72Å; D156-K164 PolarHBondContact OD2-NZ 3.19Å; D156-S166 WeakPolarHBondContact CA-O 3.39Å |
| 157 | I | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 122.4 | 167.3 | -50.8 | 174.2 | 0 | 0 | 0 | 108.7 | L133 V136 T137 V149 Q150 I165 S166 | L133-I157 HydrophobicContact CD2-CD1 3.98Å; L133-I157 HydrophobicContact CD2-CG1 4.03Å; V136-I157 HydrophobicContact CB-CD1 3.81Å; V136-I157 HydrophobicContact CG1-CD1 3.55Å; T137-I157 HydrophobicContact CG2-CD1 4.02Å; T137-I157 HydrophobicContact CG2-CG1 4.26Å; T137-I157 HydrophobicContact CG2-CG2 3.81Å; V149-I157 HydrophobicContact CB-CG2 4.12Å; Q150-I157 WeakPolarHBondContact O-CA 3.49Å; I157-I165 HydrophobicContact CB-CG1 4.1Å; I157-I165 HydrophobicContact CG2-CD1 3.92Å; I157-I165 HydrophobicContact CG2-CG1 3.91Å; I157-I165 WeakPolarHBondContact O-CG1 3.47Å; I157-I165 PolarHBondContact O-N 3.3Å; I157-S166 PolarHBondContact N-O 3.29Å; I157-S166 VanDerWaalsContact N-O 3.08Å; I157-S166 PolarHBondContact O-N 2.73Å |
| 158 | L | 98.3 | Very high | 96.4 | Very high | 38 Ų | 38 | 49.7 Ų | 49.7 | 20% | 0.199 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 145.7 | 173.3 | -58.4 | -176.8 | 0 | 0 | 0 | 110.6 | V149 Q150 T152 Y163 K164 | V149-L158 VanDerWaalsContact CA-O 3.31Å; V149-L158 WeakPolarHBondContact CA-O 3.5Å; Q150-L158 PolarHBondContact N-O 3.12Å; Q150-L158 PolarHBondContact O-N 3.4Å; T152-L158 HydrophobicContact CG2-CD1 3.48Å; T152-L158 VanDerWaalsContact CG2-CD1 3.48Å; T152-L158 HydrophobicContact CG2-CD2 4.46Å; T152-L158 HydrophobicContact CG2-CG 3.54Å; L158-Y163 CarbonylContact C-O 3.46Å; L158-Y163 VanDerWaalsContact CA-O 3.31Å; L158-Y163 WeakPolarHBondContact CA-O 3.39Å; L158-K164 HydrophobicContact CD2-CB 3.92Å |
| 159 | L | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 131.4 | 167.9 | 179.3 | 62.9 | 0 | 0 | 0 | 109.1 | L147 D148 V149 G161 Q162 Y163 I165 H221 | L147-L159 HydrophobicContact CB-CD1 4.35Å; L147-L159 HydrophobicContact CD2-CD1 3.97Å; D148-L159 CarbonylContact O-C 3.13Å; D148-L159 WeakPolarHBondContact O-CA 3.33Å; V149-L159 HydrophobicContact CG1-CD1 3.88Å; L159-G161 PolarHBondContact O-N 3.34Å; L159-G161 VanDerWaalsContact O-N 3.17Å; L159-Q162 PolarHBondContact O-N 3.08Å; L159-Q162 VanDerWaalsContact O-N 3.11Å; L159-Y163 PolarHBondContact N-O 2.82Å; L159-Y163 PolarHBondContact O-N 3.16Å; L159-I165 HydrophobicContact CB-CD1 4.35Å; L159-I165 HydrophobicContact CB-CG1 4.5Å; L159-I165 HydrophobicContact CB-CG2 3.62Å; L159-I165 HydrophobicContact CD2-CG2 4.09Å; L159-H221 HydrophobicContact CD2-CB 4.11Å; L159-H221 WeakPolarHBondContact CD2-CD2 3.43Å |
| 160 | N | 96.6 | Very high | 96.4 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 35% | 0.348 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | 32.3 | -177.7 | -54 | -28.6 | 0 | 0 | 0 | 112.8 | D148 Q162 H221 | D148-N160 PolarHBondContact O-N 2.89Å; N160-Q162 WeakPolarHBondContact O-CG 3.39Å; N160-Q162 PolarHBondContact O-N 2.8Å; N160-H221 PolarHBondContact ND2-CE1 2.74Å |
| 161 | G | 95.8 | Very high | 96.3 | Very high | 47 Ų | 47 | 47.4 Ų | 47.4 | 49% | 0.485 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | 3.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | L159 | L159-G161 PolarHBondContact O-N 3.34Å; L159-G161 VanDerWaalsContact O-N 3.17Å |
| 162 | Q | 95.7 | Very high | 96.2 | Very high | 125 Ų | 125 | 50 Ų | 50 | 58% | 0.584 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.5 | -47.9 | -169 | -69 | 179 | 4.7 | 0 | 0 | 113.1 | L159 N160 | L159-Q162 PolarHBondContact O-N 3.08Å; L159-Q162 VanDerWaalsContact O-N 3.11Å; N160-Q162 WeakPolarHBondContact O-CG 3.39Å; N160-Q162 PolarHBondContact O-N 2.8Å |
| 163 | Y | 97.8 | Very high | 95.9 | Very high | 86 Ų | 86 | 49.8 Ų | 49.8 | 34% | 0.337 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 123 | -169.6 | -59.3 | -79.1 | 0 | 0 | 0 | 110.9 | L158 L159 I165 P214 A216 | L158-Y163 CarbonylContact C-O 3.46Å; L158-Y163 VanDerWaalsContact CA-O 3.31Å; L158-Y163 WeakPolarHBondContact CA-O 3.39Å; L159-Y163 PolarHBondContact N-O 2.82Å; L159-Y163 PolarHBondContact O-N 3.16Å; Y163-I165 PolarHBondContact O-N 3.07Å; Y163-P214 HydrophobicContact CD1-CB 4.16Å; Y163-P214 HydrophobicContact CE1-CB 4.48Å; Y163-A216 HydrophobicContact CD1-CB 4.22Å; Y163-A216 HydrophobicContact CG-CB 3.85Å |
| 164 | K | 97.9 | Very high | 95.6 | Very high | 39 Ų | 39 | 54.5 Ų | 54.5 | 17% | 0.17 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 121.8 | 174.2 | -178.2 | 174.3 | -179.5 | 159.9 | 0 | 110.1 | D156 L158 S166 P214 V215 A216 | D156-K164 HydrophobicContact CB-CD 4.35Å; D156-K164 HydrophobicContact CB-CG 4.46Å; D156-K164 WeakPolarHBondContact OD1-CE 3.33Å; D156-K164 IonicContact OD1-NZ 2.71Å; D156-K164 PolarHBondContact OD1-NZ 2.71Å; D156-K164 WeakPolarHBondContact OD2-CE 3.27Å; D156-K164 IonicContact OD2-NZ 2.72Å; D156-K164 PolarHBondContact OD2-NZ 3.19Å; L158-K164 HydrophobicContact CD2-CB 3.92Å; K164-S166 VanDerWaalsContact CE-O 3.3Å; K164-S166 WeakPolarHBondContact CE-O 3.36Å; K164-P214 PolarHBondContact N-O 3.35Å; K164-V215 HydrophobicContact CB-CG1 4.33Å; K164-V215 VanDerWaalsContact O-CA 3.28Å; K164-V215 WeakPolarHBondContact O-CA 3.27Å; K164-V215 WeakPolarHBondContact O-CB 3.23Å; K164-A216 PolarHBondContact O-N 3.42Å |
| 165 | I | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | -14.6 | 176 | 61.6 | 165.2 | 0 | 0 | 0 | 112.5 | L140 V149 I157 L159 Y163 L183 L184 A216 L218 | L140-I165 HydrophobicContact CD1-CD1 4.16Å; V149-I165 HydrophobicContact CG1-CD1 3.72Å; I157-I165 HydrophobicContact CB-CG1 4.1Å; I157-I165 HydrophobicContact CG2-CD1 3.92Å; I157-I165 HydrophobicContact CG2-CG1 3.91Å; I157-I165 WeakPolarHBondContact O-CG1 3.47Å; I157-I165 PolarHBondContact O-N 3.3Å; L159-I165 HydrophobicContact CB-CD1 4.35Å; L159-I165 HydrophobicContact CB-CG1 4.5Å; L159-I165 HydrophobicContact CB-CG2 3.62Å; L159-I165 HydrophobicContact CD2-CG2 4.09Å; Y163-I165 PolarHBondContact O-N 3.07Å; I165-L183 HydrophobicContact CD1-CD1 4.1Å; I165-L183 HydrophobicContact CG1-CD1 4.36Å; I165-L183 WeakPolarHBondContact O-CA 3.2Å; I165-L184 PolarHBondContact O-N 3.11Å; I165-A216 WeakPolarHBondContact CG2-O 3.35Å; I165-L218 HydrophobicContact CD1-CD2 3.77Å |
| 166 | S | 98.3 | Very high | 95.4 | Very high | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.007 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 131.6 | 178.1 | -178.9 | 0 | 0 | 0 | 0 | 110.3 | D156 I157 K164 T182 | D156-S166 WeakPolarHBondContact CA-O 3.39Å; I157-S166 PolarHBondContact N-O 3.29Å; I157-S166 VanDerWaalsContact N-O 3.08Å; I157-S166 PolarHBondContact O-N 2.73Å; K164-S166 VanDerWaalsContact CE-O 3.3Å; K164-S166 WeakPolarHBondContact CE-O 3.36Å; S166-T182 VanDerWaalsContact CA-O 3.23Å; S166-T182 WeakPolarHBondContact CA-O 3.27Å; S166-T182 WeakPolarHBondContact CB-O 3.49Å; S166-T182 PolarHBondContact OG-O 3.12Å |
| 167 | G | 97.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 51 Ų | 51 | 9% | 0.093 | 25% | 0.25 | C | S | . | . | trans | -111.5 | 148.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | C181 T182 | G167-C181 WeakPolarHBondContact O-CA 3.26Å; G167-C181 WeakPolarHBondContact O-CB 3.24Å; G167-T182 PolarHBondContact N-OG1 3.02Å; G167-T182 VanDerWaalsContact N-OG1 3.07Å; G167-T182 PolarHBondContact O-N 2.97Å | ||
| 168 | T | 97.1 | Very high | 95.2 | Very high | 27 Ų | 27 | 51 Ų | 51 | 17% | 0.166 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 153.1 | -179.1 | 61.1 | 0 | 0 | 0 | 0 | 113.6 | L133 L155 H179 H180 C181 | L133-T168 HydrophobicContact CD1-CG2 4.17Å; L133-T168 HydrophobicContact CD2-CG2 3.67Å; L133-T168 HydrophobicContact CG-CG2 4.35Å; L155-T168 WeakPolarHBondContact O-CB 3.48Å; L155-T168 WeakPolarHBondContact O-CG2 3.39Å; L155-T168 PolarHBondContact O-OG1 3.09Å; T168-H179 VanDerWaalsContact CB-NE2 3.33Å; T168-H179 WeakPolarHBondContact CB-NE2 3.35Å; T168-H179 WeakPolarHBondContact CG2-NE2 3.35Å; T168-H180 WeakPolarHBondContact CA-O 3.41Å; T168-C181 HydrophobicContact CG2-CB 3.67Å |
| 169 | A | 97.7 | Very high | 95.2 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 6% | 0.058 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.3 | 165.5 | 163 | 0 | 0 | 0 | 0 | 0 | 109.6 | G105 H179 H180 | G105-A169 WeakPolarHBondContact O-CB 3.35Å; A169-H179 PolarHBondContact O-CD2 2.95Å; A169-H180 WeakPolarHBondContact CB-NE2 3.26Å; A169-H180 PolarHBondContact N-O 3.17Å; A169-H180 PolarHBondContact O-CD2 2.83Å; A169-H180 PolarHBondContact O-N 3.4Å; A169-H180 VanDerWaalsContact O-O 3.05Å |
| 170 | S | 97 | Very high | 95.3 | Very high | 30 Ų | 30 | 50 Ų | 50 | 21% | 0.21 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 156.6 | -175 | 56.7 | 0 | 0 | 0 | 0 | 111.8 | S104 Y127 Y178 | S104-S170 WeakPolarHBondContact CB-O 3.4Å; Y127-S170 WeakPolarHBondContact OH-CB 3.29Å; Y127-S170 PolarHBondContact OH-OG 2.94Å; S170-Y178 CarbonylContact C-O 3.43Å; S170-Y178 VanDerWaalsContact CA-O 3.22Å; S170-Y178 WeakPolarHBondContact CA-O 3.29Å; S170-Y178 WeakPolarHBondContact CB-O 3.48Å |
| 171 | R | 95.9 | Very high | 95.3 | Very high | 83 Ų | 83 | 47 Ų | 47 | 31% | 0.313 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 134.6 | 171.2 | -177.4 | 174.8 | 166.4 | 106.8 | -8.4 | 109.1 | D55 R103 S177 Y178 | D55-R171 IonicContact OD2-NE 3.13Å; R103-R171 PolarHBondContact O-NH1 3.14Å; R171-S177 VanDerWaalsContact O-CA 3.31Å; R171-S177 WeakPolarHBondContact O-CA 3.3Å; R171-Y178 HydrophobicContact CB-CD1 4.11Å; R171-Y178 HydrophobicContact CB-CD2 4.34Å; R171-Y178 HydrophobicContact CB-CE1 3.65Å; R171-Y178 HydrophobicContact CB-CE2 3.82Å; R171-Y178 HydrophobicContact CB-CG 4.45Å; R171-Y178 VanDerWaalsContact CB-CZ 3.47Å; R171-Y178 WeakPolarHBondContact CD-OH 3.44Å; R171-Y178 HydrophobicContact CG-CE1 4.15Å; R171-Y178 PolarHBondContact N-O 3.44Å; R171-Y178 PolarHBondContact O-N 3.3Å |
| 172 | L | 93.8 | Very high | 95.5 | Very high | 95 Ų | 95 | 45.5 Ų | 45.5 | 50% | 0.497 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 118.9 | 172.8 | -64.2 | 177.8 | 0 | 0 | 0 | 107.9 | Y127 S177 | Y127-L172 HydrophobicContact CD1-CD2 3.79Å; Y127-L172 HydrophobicContact CD2-CD2 4.16Å; Y127-L172 HydrophobicContact CE1-CD2 3.76Å; Y127-L172 HydrophobicContact CE2-CD2 4.12Å; Y127-L172 HydrophobicContact CG-CD2 3.96Å; L172-S177 VanDerWaalsContact CD2-CB 3.45Å |
| 173 | S | 89.6 | Confident | 95.6 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 23% | 0.231 | 18% | 0.182 | C | C | . | . | trans | -98.2 | -174.2 | 173.6 | 94.6 | 0 | 0 | 0 | 0 | 110 | K175 S176 | S173-K175 VanDerWaalsContact C-N 3.34Å; S173-K175 PolarHBondContact O-N 3.26Å; S173-K175 PolarHBondContact OG-N 3.13Å; S173-S176 PolarHBondContact N-O 2.89Å; S173-S176 PolarHBondContact OG-N 3.04Å; S173-S176 PolarHBondContact OG-O 2.9Å; S173-S176 PolarHBondContact OG-OG 2.88Å | ||
| 174 | R | 86.1 | Confident | 95.7 | Very high | 231 Ų | 231 | 36 Ų | 36 | 87% | 0.872 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -63.5 | -38.5 | 177.9 | -176.6 | 175.5 | 175.8 | 148.2 | -0.5 | 112.5 | ||
| 175 | K | 85.3 | Confident | 95.7 | Very high | 147 Ų | 147 | 34.7 Ų | 34.7 | 64% | 0.639 | 16% | 0.164 | S | C | * | . | S | Bend | trans | -119.8 | -27.8 | -172.8 | -67 | -174.7 | 178.6 | -178.7 | 0 | 113.4 | Q61 K124 S173 | Q61-K175 PolarHBondContact NE2-O 3.44Å; K124-K175 PolarHBondContact N-O 2.88Å; S173-K175 VanDerWaalsContact C-N 3.34Å; S173-K175 PolarHBondContact O-N 3.26Å; S173-K175 PolarHBondContact OG-N 3.13Å |
| 176 | S | 92.5 | Very high | 95.7 | Very high | 6 Ų | 6 | 37.3 Ų | 37.3 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 172.3 | -174.6 | 55.2 | 0 | 0 | 0 | 0 | 111.4 | D55 S173 | D55-S176 PolarHBondContact O-OG 2.95Å; D55-S176 WeakPolarHBondContact OD1-CB 3.16Å; D55-S176 PolarHBondContact OD1-OG 2.82Å; S173-S176 PolarHBondContact N-O 2.89Å; S173-S176 PolarHBondContact OG-N 3.04Å; S173-S176 PolarHBondContact OG-O 2.9Å; S173-S176 PolarHBondContact OG-OG 2.88Å |
| 177 | S | 93.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 147.6 | 170.4 | 54.7 | 0 | 0 | 0 | 0 | 108.4 | A122 S123 Y127 R171 L172 | A122-S177 PolarHBondContact N-O 3.34Å; A122-S177 PolarHBondContact O-N 3.01Å; A122-S177 PolarHBondContact O-OG 3.46Å; A122-S177 VanDerWaalsContact O-OG 3.1Å; S123-S177 PolarHBondContact O-OG 2.98Å; Y127-S177 WeakPolarHBondContact CB-OG 3.36Å; Y127-S177 VanDerWaalsContact CD2-CB 3.4Å; Y127-S177 WeakPolarHBondContact CD2-OG 3.31Å; R171-S177 VanDerWaalsContact O-CA 3.31Å; R171-S177 WeakPolarHBondContact O-CA 3.3Å; L172-S177 VanDerWaalsContact CD2-CB 3.45Å |
| 178 | Y | 97.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 145.6 | 161.2 | 68.3 | -106.7 | 0 | 0 | 0 | 111.1 | E51 D55 T119 F120 F121 S170 R171 H180 | E51-Y178 HydrophobicContact CG-CD1 4.45Å; E51-Y178 HydrophobicContact CG-CD2 4.46Å; E51-Y178 HydrophobicContact CG-CE1 4.18Å; E51-Y178 HydrophobicContact CG-CE2 4.28Å; D55-Y178 HydrophobicContact CB-CD1 3.96Å; D55-Y178 HydrophobicContact CB-CE1 4.17Å; T119-Y178 HydrophobicContact CG2-CD2 4.02Å; T119-Y178 HydrophobicContact CG2-CG 4.11Å; F120-Y178 VanDerWaalsContact O-CA 3.28Å; F120-Y178 WeakPolarHBondContact O-CA 3.2Å; F121-Y178 HydrophobicContact CD1-CD1 4.44Å; F121-Y178 HydrophobicContact CD1-CG 4.42Å; F121-Y178 HydrophobicContact CE1-CD1 4.06Å; F121-Y178 HydrophobicContact CE1-CG 4.17Å; S170-Y178 CarbonylContact C-O 3.43Å; S170-Y178 VanDerWaalsContact CA-O 3.22Å; S170-Y178 WeakPolarHBondContact CA-O 3.29Å; S170-Y178 WeakPolarHBondContact CB-O 3.48Å; R171-Y178 HydrophobicContact CB-CD1 4.11Å; R171-Y178 HydrophobicContact CB-CD2 4.34Å; R171-Y178 HydrophobicContact CB-CE1 3.65Å; R171-Y178 HydrophobicContact CB-CE2 3.82Å; R171-Y178 HydrophobicContact CB-CG 4.45Å; R171-Y178 VanDerWaalsContact CB-CZ 3.47Å; R171-Y178 WeakPolarHBondContact CD-OH 3.44Å; R171-Y178 HydrophobicContact CG-CE1 4.15Å; R171-Y178 PolarHBondContact N-O 3.44Å; R171-Y178 PolarHBondContact O-N 3.3Å; Y178-H180 AromaticContact CE2-CE1 3.96Å; Y178-H180 AromaticContact CE2-ND1 3.75Å |
| 179 | H | 98.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 119.1 | 170.5 | 169.2 | -125.6 | 0 | 0 | 0 | 107 | F120 Y127 R129 N132 T168 A169 | F120-H179 WeakPolarHBondContact CD2-O 3.5Å; F120-H179 PolarHBondContact N-O 2.87Å; F120-H179 PolarHBondContact O-N 3.16Å; Y127-H179 HydrophobicContact CE2-CB 4.1Å; R129-H179 HydrophobicContact CG-CB 4.01Å; N132-H179 WeakPolarHBondContact CB-ND1 2.85Å; N132-H179 PolarHBondContact ND2-ND1 2.94Å; T168-H179 VanDerWaalsContact CB-NE2 3.33Å; T168-H179 WeakPolarHBondContact CB-NE2 3.35Å; T168-H179 WeakPolarHBondContact CG2-NE2 3.35Å; A169-H179 PolarHBondContact O-CD2 2.95Å |
| 180 | H | 98.6 | Very high | 95.5 | Very high | 18 Ų | 18 | 47.3 Ų | 47.3 | 8% | 0.083 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 153.8 | 170.5 | 60.6 | -147.8 | 0 | 0 | 0 | 112.2 | E51 R102 S104 L118 T119 T168 A169 Y178 | E51-H180 IonicContact OE1-CE1 3.68Å; E51-H180 IonicContact OE1-CG 2.63Å; E51-H180 IonicContact OE1-ND1 3.98Å; E51-H180 PolarHBondContact OE1-ND1 3.14Å; E51-H180 IonicContact OE2-CE1 2.92Å; E51-H180 IonicContact OE2-ND1 2.93Å; E51-H180 PolarHBondContact OE2-ND1 2.91Å; E51-H180 VanDerWaalsContact OE2-ND1 3.13Å; R102-H180 WeakPolarHBondContact CD-NE2 2.99Å; R102-H180 PolarHBondContact NE-NE2 2.99Å; S104-H180 PolarHBondContact OG-CE1 3.13Å; S104-H180 PolarHBondContact OG-NE2 3.17Å; L118-H180 CarbonylContact O-C 3.54Å; L118-H180 WeakPolarHBondContact O-CA 3.39Å; L118-H180 VanDerWaalsContact O-CB 3.27Å; L118-H180 WeakPolarHBondContact O-CB 3.02Å; T119-H180 HydrophobicContact CG2-CB 4.12Å; T119-H180 WeakPolarHBondContact OG1-CB 3.36Å; T168-H180 WeakPolarHBondContact CA-O 3.41Å; A169-H180 WeakPolarHBondContact CB-NE2 3.26Å; A169-H180 PolarHBondContact N-O 3.17Å; A169-H180 PolarHBondContact O-CD2 2.83Å; A169-H180 PolarHBondContact O-N 3.4Å; A169-H180 VanDerWaalsContact O-O 3.05Å; Y178-H180 AromaticContact CE2-CE1 3.96Å; Y178-H180 AromaticContact CE2-ND1 3.75Å |
| 181 | C | 98.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 153.7 | 173.5 | 71.2 | 0 | 0 | 0 | 0 | 111.3 | N117 L118 L133 G167 T168 | N117-C181 WeakPolarHBondContact CA-O 3.25Å; L118-C181 PolarHBondContact N-O 2.92Å; L118-C181 PolarHBondContact O-N 3.47Å; L133-C181 HydrophobicContact CD2-CB 4.45Å; G167-C181 WeakPolarHBondContact O-CA 3.26Å; G167-C181 WeakPolarHBondContact O-CB 3.24Å; T168-C181 HydrophobicContact CG2-CB 3.67Å |
| 182 | T | 98.4 | Very high | 95.2 | Very high | 15 Ų | 15 | 43.8 Ų | 43.8 | 9% | 0.092 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 161.9 | 169.3 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | V109 N115 L116 S166 G167 | V109-T182 HydrophobicContact CG2-CG2 4.29Å; N115-T182 VanDerWaalsContact OD1-CB 3.31Å; N115-T182 WeakPolarHBondContact OD1-CB 3.49Å; L116-T182 CarbonylContact O-C 3.58Å; L116-T182 WeakPolarHBondContact O-CA 3.44Å; S166-T182 VanDerWaalsContact CA-O 3.23Å; S166-T182 WeakPolarHBondContact CA-O 3.27Å; S166-T182 WeakPolarHBondContact CB-O 3.49Å; S166-T182 PolarHBondContact OG-O 3.12Å; G167-T182 PolarHBondContact N-OG1 3.02Å; G167-T182 VanDerWaalsContact N-OG1 3.07Å; G167-T182 PolarHBondContact O-N 2.97Å |
| 183 | L | 98.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 111.7 | 168.9 | -176.5 | 62.9 | 0 | 0 | 0 | 109.2 | L116 L118 V136 L140 I165 H185 L218 L230 | L116-L183 HydrophobicContact CB-CB 4.26Å; L116-L183 PolarHBondContact N-O 2.99Å; L116-L183 PolarHBondContact O-N 3.41Å; L118-L183 HydrophobicContact CD1-CB 4.19Å; V136-L183 HydrophobicContact CG1-CD1 4.39Å; V136-L183 HydrophobicContact CG1-CD2 4.03Å; L140-L183 HydrophobicContact CD1-CD1 4.16Å; L140-L183 HydrophobicContact CD2-CD2 4.38Å; I165-L183 HydrophobicContact CD1-CD1 4.1Å; I165-L183 HydrophobicContact CG1-CD1 4.36Å; I165-L183 WeakPolarHBondContact O-CA 3.2Å; L183-H185 PolarHBondContact O-N 2.88Å; L183-H185 VanDerWaalsContact O-N 3.13Å; L183-L218 HydrophobicContact CD1-CD1 4.05Å; L183-L218 HydrophobicContact CD2-CD1 4.13Å; L183-L218 HydrophobicContact CG-CD1 3.93Å; L183-L230 HydrophobicContact CD2-CD1 3.88Å; L183-L230 HydrophobicContact CD2-CD2 4.11Å; L183-L230 HydrophobicContact CD2-CG 4.48Å |
| 184 | L | 98.6 | Very high | 95.3 | Very high | 12 Ų | 12 | 43.8 Ų | 43.8 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 97.1 | -176.2 | -62.2 | 179.4 | 0 | 0 | 0 | 110.3 | N115 I165 A187 V215 N217 L218 | N115-L184 HydrophobicContact CB-CD2 4.34Å; I165-L184 PolarHBondContact O-N 3.11Å; L184-A187 HydrophobicContact CD2-CB 3.89Å; L184-V215 HydrophobicContact CD1-CB 3.82Å; L184-V215 HydrophobicContact CD1-CG1 4.15Å; L184-V215 HydrophobicContact CD1-CG2 4.46Å; L184-N217 WeakPolarHBondContact O-CA 3.5Å; L184-L218 WeakPolarHBondContact O-CG 3.44Å; L184-L218 PolarHBondContact O-N 3.4Å |
| 185 | H | 98.6 | Very high | 95.7 | Very high | 12 Ų | 12 | 33.2 Ų | 33.2 | 6% | 0.056 | 19% | 0.185 | C | C | . | . | S | Bend | trans | -82.4 | -55.8 | 176.7 | 174.9 | -93.6 | 0 | 0 | 0 | 111.2 | G114 L183 N217 L218 T219 L225 W227 L230 | G114-H185 WeakPolarHBondContact O-CA 3.4Å; G114-H185 WeakPolarHBondContact O-CB 3.33Å; G114-H185 PolarHBondContact O-N 3.42Å; L183-H185 PolarHBondContact O-N 2.88Å; L183-H185 VanDerWaalsContact O-N 3.13Å; H185-N217 WeakPolarHBondContact O-CB 3.45Å; H185-L218 PolarHBondContact O-N 3.13Å; H185-T219 WeakPolarHBondContact O-CB 3.21Å; H185-T219 WeakPolarHBondContact O-CG2 3.01Å; H185-T219 PolarHBondContact O-N 2.94Å; H185-T219 PolarHBondContact O-OG1 2.85Å; H185-L225 PolarHBondContact NE2-O 3.07Å; H185-L225 VanDerWaalsContact NE2-O 3.1Å; H185-W227 HydrophobicContact CB-CE3 4.04Å; H185-W227 HydrophobicContact CB-CZ3 3.7Å; H185-W227 AromaticContact CG-CE3 3.77Å; H185-W227 AromaticContact CG-CZ3 3.97Å; H185-W227 AromaticContact ND1-CE3 3.71Å; H185-L230 HydrophobicContact CB-CD2 4.11Å |
| 186 | S | 98.3 | Very high | 96.2 | Very high | 56 Ų | 56 | 28.4 Ų | 28.4 | 39% | 0.392 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -156.1 | 38.8 | -174 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | G114 | G114-S186 PolarHBondContact O-N 3.36Š|
| 187 | A | 97.9 | Very high | 96.1 | Very high | 4 Ų | 4 | 35.8 Ų | 35.8 | 3% | 0.033 | 19% | 0.193 | C | C | . | . | trans | -71.5 | 152.3 | -177 | 0 | 0 | 0 | 0 | 0 | 112 | D112 G114 N115 L184 R189 N217 | D112-A187 WeakPolarHBondContact OD1-CA 3.15Å; D112-A187 WeakPolarHBondContact OD1-CB 3.38Å; D112-A187 WeakPolarHBondContact OD2-CA 3.28Å; G114-A187 PolarHBondContact O-N 3.05Å; N115-A187 HydrophobicContact CB-CB 4.35Å; L184-A187 HydrophobicContact CD2-CB 3.89Å; A187-R189 PolarHBondContact O-N 2.82Å; A187-N217 PolarHBondContact N-ND2 2.94Å; A187-N217 PolarHBondContact N-OD1 2.83Å; A187-N217 PolarHBondContact O-ND2 3.33Å | ||
| 188 | D | 97.6 | Very high | 95.7 | Very high | 72 Ų | 72 | 39.8 Ų | 39.8 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | trans | -71.9 | 94.3 | 176 | -175.2 | -5 | 0 | 0 | 0 | 111.1 | D112 S190 A191 I192 | D112-D188 PolarHBondContact OD2-N 3.3Å; D188-S190 PolarHBondContact O-N 2.94Å; D188-S190 WeakPolarHBondContact OD1-CA 3.3Å; D188-S190 VanDerWaalsContact OD1-CB 3.28Å; D188-S190 WeakPolarHBondContact OD1-CB 3.28Å; D188-S190 PolarHBondContact OD1-N 2.79Å; D188-S190 PolarHBondContact OD1-OG 3.35Å; D188-S190 PolarHBondContact OD2-OG 3.11Å; D188-A191 HydrophobicContact CB-CB 4.01Å; D188-A191 WeakPolarHBondContact O-CB 3.24Å; D188-A191 PolarHBondContact O-N 3.34Å; D188-A191 PolarHBondContact OD1-N 2.93Å; D188-I192 WeakPolarHBondContact O-CG1 3.38Å; D188-I192 PolarHBondContact O-N 3.47Å; D188-I192 VanDerWaalsContact O-N 3.14Å | ||
| 189 | R | 94.8 | Very high | 94.7 | Very high | 102 Ų | 102 | 42 Ų | 42 | 39% | 0.385 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.7 | -24.5 | 176.7 | -65.1 | -174.4 | -63 | -161.6 | -18.8 | 113.5 | A187 I192 A193 V215 D220 | A187-R189 PolarHBondContact O-N 2.82Å; R189-I192 HydrophobicContact CG-CD1 4.47Å; R189-I192 PolarHBondContact O-N 3.43Å; R189-A193 WeakPolarHBondContact O-CB 3.38Å; R189-A193 PolarHBondContact O-N 3.13Å; R189-V215 HydrophobicContact CG-CG2 4.46Å; R189-D220 IonicContact CZ-OD1 3.96Å; R189-D220 IonicContact CZ-OD2 2.69Å; R189-D220 IonicContact NE-OD2 2.93Å; R189-D220 IonicContact NH1-OD1 2.84Å; R189-D220 IonicContact NH1-OD2 3.74Å; R189-D220 PolarHBondContact NH1-OD2 3.39Å; R189-D220 VanDerWaalsContact NH2-CG 3.33Å; R189-D220 IonicContact NH2-OD1 3.33Å; R189-D220 PolarHBondContact NH2-OD1 3.38Å; R189-D220 IonicContact NH2-OD2 3.54Å; R189-D220 PolarHBondContact NH2-OD2 3.15Å; R189-D220 VanDerWaalsContact NH2-OD2 3.08Å |
| 190 | S | 94.8 | Very high | 93.9 | Very high | 75 Ų | 75 | 42.9 Ų | 42.9 | 52% | 0.524 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -70.7 | -38.4 | 176.6 | 80.7 | 0 | 0 | 0 | 0 | 110.9 | D188 A193 T194 | D188-S190 PolarHBondContact O-N 2.94Å; D188-S190 WeakPolarHBondContact OD1-CA 3.3Å; D188-S190 VanDerWaalsContact OD1-CB 3.28Å; D188-S190 WeakPolarHBondContact OD1-CB 3.28Å; D188-S190 PolarHBondContact OD1-N 2.79Å; D188-S190 PolarHBondContact OD1-OG 3.35Å; D188-S190 PolarHBondContact OD2-OG 3.11Å; S190-A193 PolarHBondContact O-N 3.29Å; S190-T194 WeakPolarHBondContact O-CB 3.33Å; S190-T194 PolarHBondContact O-N 3Å; S190-T194 PolarHBondContact O-OG1 3.49Å |
| 191 | A | 94.8 | Very high | 93 | Very high | 13 Ų | 13 | 45.9 Ų | 45.9 | 11% | 0.107 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.2 | -43.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y110 D188 A193 T194 L195 | Y110-A191 HydrophobicContact CE1-CB 3.94Å; Y110-A191 HydrophobicContact CE2-CB 4.14Å; D188-A191 HydrophobicContact CB-CB 4.01Å; D188-A191 WeakPolarHBondContact O-CB 3.24Å; D188-A191 PolarHBondContact O-N 3.34Å; D188-A191 PolarHBondContact OD1-N 2.93Å; A191-A193 VanDerWaalsContact C-N 3.34Å; A191-A193 PolarHBondContact O-N 2.93Å; A191-T194 PolarHBondContact O-N 2.87Å; A191-L195 HydrophobicContact CB-CD1 4.3Å; A191-L195 VanDerWaalsContact O-CB 3.29Å; A191-L195 WeakPolarHBondContact O-CB 3.22Å; A191-L195 VanDerWaalsContact O-CG 3.29Å; A191-L195 WeakPolarHBondContact O-CG 3.37Å; A191-L195 PolarHBondContact O-N 3.39Å |
| 192 | I | 92.9 | Very high | 92.6 | Very high | 27 Ų | 27 | 47.4 Ų | 47.4 | 14% | 0.138 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -53.2 | -52.9 | 173.2 | -62.3 | 175.1 | 0 | 0 | 0 | 110.4 | Y110 D188 R189 T194 L196 V215 | Y110-I192 HydrophobicContact CD1-CD1 4.41Å; Y110-I192 HydrophobicContact CD1-CG1 3.57Å; Y110-I192 HydrophobicContact CE1-CG1 4.45Å; Y110-I192 HydrophobicContact CG-CG1 4.08Å; D188-I192 WeakPolarHBondContact O-CG1 3.38Å; D188-I192 PolarHBondContact O-N 3.47Å; D188-I192 VanDerWaalsContact O-N 3.14Å; R189-I192 HydrophobicContact CG-CD1 4.47Å; R189-I192 PolarHBondContact O-N 3.43Å; I192-T194 PolarHBondContact O-N 3Å; I192-L196 HydrophobicContact CG2-CD1 3.98Å; I192-L196 HydrophobicContact CG2-CG 4.44Å; I192-L196 WeakPolarHBondContact O-CB 3.34Å; I192-L196 WeakPolarHBondContact O-CG 3.4Å; I192-L196 PolarHBondContact O-N 3.11Å; I192-L196 VanDerWaalsContact O-N 3.12Å; I192-V215 HydrophobicContact CD1-CG2 4.37Å |
| 193 | A | 90.8 | Very high | 92.4 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 39% | 0.388 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65 | -28.1 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R189 S190 A191 R197 | R189-A193 WeakPolarHBondContact O-CB 3.38Å; R189-A193 PolarHBondContact O-N 3.13Å; S190-A193 PolarHBondContact O-N 3.29Å; A191-A193 VanDerWaalsContact C-N 3.34Å; A191-A193 PolarHBondContact O-N 2.93Å; A193-R197 WeakPolarHBondContact O-CD 3.45Å; A193-R197 WeakPolarHBondContact O-CG 3.09Å; A193-R197 PolarHBondContact O-NE 2.95Å |
| 194 | T | 93.6 | Very high | 92.3 | Very high | 80 Ų | 80 | 56.1 Ų | 56.1 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -88.6 | -44.7 | -177.6 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | S190 A191 I192 | S190-T194 WeakPolarHBondContact O-CB 3.33Å; S190-T194 PolarHBondContact O-N 3Å; S190-T194 PolarHBondContact O-OG1 3.49Å; A191-T194 PolarHBondContact O-N 2.87Å; I192-T194 PolarHBondContact O-N 3Å |
| 195 | L | 96.3 | Very high | 92.1 | Very high | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.047 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -83.9 | -30 | -171.6 | -60.3 | 178.8 | 0 | 0 | 0 | 112.8 | V75 C87 S88 A91 M92 V97 Y110 A191 R197 | V75-L195 HydrophobicContact CG2-CB 4.27Å; C87-L195 CarbonylContact C-O 3.51Å; C87-L195 VanDerWaalsContact CA-O 3.23Å; C87-L195 WeakPolarHBondContact CA-O 3.29Å; C87-L195 VanDerWaalsContact CB-O 3.27Å; C87-L195 WeakPolarHBondContact CB-O 3.29Å; S88-L195 PolarHBondContact N-O 3.31Å; A91-L195 HydrophobicContact CB-CD2 3.91Å; M92-L195 HydrophobicContact CG-CB 4.41Å; M92-L195 HydrophobicContact CG-CD2 3.9Å; V97-L195 HydrophobicContact CB-CD1 4.38Å; V97-L195 HydrophobicContact CG1-CD1 4.16Å; V97-L195 HydrophobicContact CG2-CD1 4.05Å; Y110-L195 HydrophobicContact CD2-CD1 3.91Å; Y110-L195 HydrophobicContact CE2-CD1 3.67Å; A191-L195 HydrophobicContact CB-CD1 4.3Å; A191-L195 VanDerWaalsContact O-CB 3.29Å; A191-L195 WeakPolarHBondContact O-CB 3.22Å; A191-L195 VanDerWaalsContact O-CG 3.29Å; A191-L195 WeakPolarHBondContact O-CG 3.37Å; A191-L195 PolarHBondContact O-N 3.39Å; L195-R197 PolarHBondContact O-N 3.15Å |
| 196 | L | 94.9 | Very high | 91.9 | Very high | 47 Ų | 47 | 65 Ų | 65 | 25% | 0.246 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 30.8 | 179 | -53.2 | -167.2 | 0 | 0 | 0 | 112.9 | V75 E86 C87 T108 I192 | V75-L196 HydrophobicContact CB-CD2 4.47Å; V75-L196 HydrophobicContact CG1-CD2 3.71Å; V75-L196 HydrophobicContact CG2-CD2 3.93Å; E86-L196 CarbonylContact O-C 3.58Å; C87-L196 HydrophobicContact CB-CD2 4.49Å; T108-L196 HydrophobicContact CG2-CD2 3.72Å; I192-L196 HydrophobicContact CG2-CD1 3.98Å; I192-L196 HydrophobicContact CG2-CG 4.44Å; I192-L196 WeakPolarHBondContact O-CB 3.34Å; I192-L196 WeakPolarHBondContact O-CG 3.4Å; I192-L196 PolarHBondContact O-N 3.11Å; I192-L196 VanDerWaalsContact O-N 3.12Å |
| 197 | R | 89.3 | Confident | 91.9 | Very high | 160 Ų | 160 | 63 Ų | 63 | 60% | 0.604 | 35% | 0.349 | S | S | * | . | S | Bend | trans | -104.4 | 128.5 | 171.3 | -69.7 | -175.5 | -170.3 | -176.5 | 3.6 | 109.6 | C87 S88 A193 L195 S199 | C87-R197 CarbonylContact C-O 3.59Å; S88-R197 WeakPolarHBondContact CA-O 3.29Å; S88-R197 VanDerWaalsContact CB-O 3.3Å; S88-R197 WeakPolarHBondContact CB-O 3.37Å; S88-R197 PolarHBondContact N-O 2.76Å; A193-R197 WeakPolarHBondContact O-CD 3.45Å; A193-R197 WeakPolarHBondContact O-CG 3.09Å; A193-R197 PolarHBondContact O-NE 2.95Å; L195-R197 PolarHBondContact O-N 3.15Å; R197-S199 PolarHBondContact O-N 3.35Å |
| 198 | P | 86.3 | Confident | 91.9 | Very high | 84 Ų | 84 | 65.7 Ų | 65.7 | 55% | 0.545 | 37% | 0.365 | S | S | . | . | trans | -59.6 | 133.6 | 175.4 | -19.1 | 30.8 | 0 | 0 | 0 | 110.4 | A85 | A85-P198 WeakPolarHBondContact O-CG 3.32Š| ||
| 199 | S | 77.4 | Confident | 91.8 | Very high | 46 Ų | 46 | 66.8 Ų | 66.8 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | trans | -104.6 | -14.4 | 179.6 | 59.8 | 0 | 0 | 0 | 0 | 114.4 | P90 R197 P201 | P90-S199 WeakPolarHBondContact CD-OG 3.37Å; R197-S199 PolarHBondContact O-N 3.35Å; S199-P201 WeakPolarHBondContact O-CD 3.45Å | ||
| 200 | C | 81.3 | Confident | 91.9 | Very high | 19 Ų | 19 | 63.4 Ų | 63.4 | 13% | 0.128 | 37% | 0.368 | C | S | . | . | trans | -104.7 | 105.9 | -176.6 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | W84 I203 | W84-C200 HydrophobicContact CB-CB 4.2Å; C200-I203 HydrophobicContact CB-CD1 3.56Å; C200-I203 HydrophobicContact CB-CG1 4.19Å | ||
| 201 | P | 79.8 | Confident | 91.8 | Very high | 82 Ų | 82 | 64.4 Ų | 64.4 | 53% | 0.532 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | 159.5 | 177.7 | 30.8 | -34.7 | 0 | 0 | 0 | 111.2 | S199 I203 | S199-P201 WeakPolarHBondContact O-CD 3.45Å; P201-I203 VanDerWaalsContact C-N 3.28Å; P201-I203 PolarHBondContact O-N 3.03Å |
| 202 | G | 89 | Confident | 91.8 | Very high | 33 Ų | 33 | 69.5 Ų | 69.5 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 9.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R204 E285 | G202-R204 PolarHBondContact O-N 3.43Å; G202-E285 WeakPolarHBondContact CA-O 3.38Å; G202-E285 PolarHBondContact O-N 3.15Å |
| 203 | I | 94.5 | Very high | 91.8 | Very high | 36 Ų | 36 | 70.6 Ų | 70.6 | 19% | 0.185 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 125.6 | 175.2 | -67.6 | 175.7 | 0 | 0 | 0 | 110.5 | W84 A85 C200 P201 F282 R283 V284 | W84-I203 HydrophobicContact CB-CD1 3.51Å; A85-I203 HydrophobicContact CB-CD1 4.19Å; A85-I203 HydrophobicContact CB-CG2 4.23Å; C200-I203 HydrophobicContact CB-CD1 3.56Å; C200-I203 HydrophobicContact CB-CG1 4.19Å; P201-I203 VanDerWaalsContact C-N 3.28Å; P201-I203 PolarHBondContact O-N 3.03Å; I203-F282 HydrophobicContact CG1-CD2 4.46Å; I203-F282 HydrophobicContact CG2-CB 4.48Å; I203-F282 HydrophobicContact CG2-CD2 4.03Å; I203-R283 CarbonylContact C-O 3.53Å; I203-R283 WeakPolarHBondContact CA-O 3.46Å; I203-V284 HydrophobicContact CG1-CG2 4.25Å |
| 204 | R | 95.8 | Very high | 92 | Very high | 163 Ų | 163 | 72.3 Ų | 72.3 | 62% | 0.615 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 113.9 | 165.2 | -56.8 | -172.5 | -170.8 | -142.1 | 9.6 | 109.3 | G202 F282 R283 E285 | G202-R204 PolarHBondContact O-N 3.43Å; R204-F282 WeakPolarHBondContact O-CA 3.43Å; R204-F282 WeakPolarHBondContact O-CB 3.48Å; R204-R283 HydrophobicContact CB-CB 4.45Å; R204-R283 PolarHBondContact N-O 2.94Å; R204-R283 PolarHBondContact O-N 3.4Å; R204-E285 IonicContact CZ-OE2 3.62Å; R204-E285 IonicContact NE-OE1 2.78Å; R204-E285 IonicContact NE-OE2 2.65Å; R204-E285 PolarHBondContact NE-OE2 2.95Å; R204-E285 IonicContact NH2-OE2 3.46Å; R204-E285 PolarHBondContact NH2-OE2 2.89Å |
| 205 | S | 95.3 | Very high | 92.2 | Very high | 40 Ų | 40 | 70.6 Ų | 70.6 | 28% | 0.28 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.3 | 148.3 | -176.7 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | A207 | S205-A207 VanDerWaalsContact C-N 3.33Å; S205-A207 VanDerWaalsContact OG-CB 3.31Å; S205-A207 WeakPolarHBondContact OG-CB 3.33Å; S205-A207 PolarHBondContact OG-N 2.91Å; S205-A207 VanDerWaalsContact OG-N 3.14Å |
| 206 | N | 95.5 | Very high | 92.2 | Very high | 169 Ų | 169 | 70.2 Ų | 70.2 | 90% | 0.904 | 41% | 0.408 | S | S | * | . | trans | -95.6 | 13.2 | 168.5 | -65.7 | -28 | 0 | 0 | 0 | 112.2 | ||||
| 207 | A | 97.3 | Very high | 92.4 | Very high | 15 Ų | 15 | 68.5 Ų | 68.5 | 12% | 0.124 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -61.7 | 153.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H80 N82 S205 P209 P280 | H80-A207 WeakPolarHBondContact O-CA 3.38Å; H80-A207 WeakPolarHBondContact O-CB 3.27Å; N82-A207 HydrophobicContact CB-CB 3.7Å; S205-A207 VanDerWaalsContact C-N 3.33Å; S205-A207 VanDerWaalsContact OG-CB 3.31Å; S205-A207 WeakPolarHBondContact OG-CB 3.33Å; S205-A207 PolarHBondContact OG-N 2.91Å; S205-A207 VanDerWaalsContact OG-N 3.14Å; A207-P209 VanDerWaalsContact O-CD 3.26Å; A207-P209 WeakPolarHBondContact O-CD 3.47Å; A207-P280 HydrophobicContact CB-CB 4.27Å; A207-P280 HydrophobicContact CB-CG 3.95Å |
| 208 | T | 97.3 | Very high | 92.8 | Very high | 61 Ų | 61 | 60.9 Ų | 60.9 | 37% | 0.374 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 117.4 | 179.6 | -55.7 | 0 | 0 | 0 | 0 | 110.3 | H80 Q81 | H80-T208 PolarHBondContact O-N 2.94Å; Q81-T208 VanDerWaalsContact CG-O 3.31Å; Q81-T208 WeakPolarHBondContact CG-O 3.43Å; Q81-T208 PolarHBondContact NE2-O 3.08Å |
| 209 | P | 96.5 | Very high | 93.4 | Very high | 94 Ų | 94 | 58.4 Ų | 58.4 | 61% | 0.61 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -78 | 151.6 | 178.1 | 32.2 | -34.3 | 0 | 0 | 0 | 111.2 | E86 A207 | E86-P209 WeakPolarHBondContact OE1-CA 3.43Å; A207-P209 VanDerWaalsContact O-CD 3.26Å; A207-P209 WeakPolarHBondContact O-CD 3.47Å |
| 210 | S | 95.8 | Very high | 94.3 | Very high | 32 Ų | 32 | 59.4 Ų | 59.4 | 22% | 0.224 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -67.8 | 156.1 | 163.9 | -70.8 | 0 | 0 | 0 | 0 | 112.1 | Q81 E86 G107 T108 P212 | Q81-S210 PolarHBondContact NE2-OG 2.93Å; E86-S210 PolarHBondContact OE1-N 2.94Å; E86-S210 WeakPolarHBondContact OE2-CB 3.42Å; E86-S210 PolarHBondContact OE2-N 3.08Å; E86-S210 PolarHBondContact OE2-OG 2.82Å; G107-S210 WeakPolarHBondContact CA-OG 3.3Å; T108-S210 PolarHBondContact N-OG 3.47Å; S210-P212 WeakPolarHBondContact O-CD 3.37Å |
| 211 | V | 94.3 | Very high | 95 | Very high | 95 Ų | 95 | 62.1 Ų | 62.1 | 58% | 0.576 | 37% | 0.366 | S | S | * | . | trans | -106.2 | 104.7 | 167.5 | -179.2 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 212 | P | 93.1 | Very high | 95.9 | Very high | 121 Ų | 121 | 58.3 Ų | 58.3 | 79% | 0.786 | 34% | 0.341 | S | S | * | . | trans | -59.7 | 144.7 | 176.5 | -23.7 | 34.5 | 0 | 0 | 0 | 111.3 | S210 | S210-P212 WeakPolarHBondContact O-CD 3.37Š| ||
| 213 | S | 93.3 | Very high | 96.2 | Very high | 50 Ų | 50 | 61.5 Ų | 61.5 | 35% | 0.35 | 36% | 0.356 | S | S | . | . | trans | -148 | 144.7 | 175.5 | -61.9 | 0 | 0 | 0 | 0 | 109.3 | V215 | S213-V215 PolarHBondContact O-N 3.03Š| ||
| 214 | P | 95.7 | Very high | 96.3 | Very high | 82 Ų | 82 | 63.2 Ų | 63.2 | 53% | 0.532 | 37% | 0.371 | S | S | . | . | trans | -62.2 | 137.5 | 169.6 | 28.1 | -33.6 | 0 | 0 | 0 | 109.1 | Y163 K164 | Y163-P214 HydrophobicContact CD1-CB 4.16Å; Y163-P214 HydrophobicContact CE1-CB 4.48Å; K164-P214 PolarHBondContact N-O 3.35Å | ||
| 215 | V | 97.1 | Very high | 96.4 | Very high | 44 Ų | 44 | 55.6 Ų | 55.6 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | B | Isolated β-bridge | trans | -121.6 | 150.6 | -176.7 | -63 | 0 | 0 | 0 | 0 | 111.3 | K164 L184 R189 I192 S213 | K164-V215 HydrophobicContact CB-CG1 4.33Å; K164-V215 VanDerWaalsContact O-CA 3.28Å; K164-V215 WeakPolarHBondContact O-CA 3.27Å; K164-V215 WeakPolarHBondContact O-CB 3.23Å; L184-V215 HydrophobicContact CD1-CB 3.82Å; L184-V215 HydrophobicContact CD1-CG1 4.15Å; L184-V215 HydrophobicContact CD1-CG2 4.46Å; R189-V215 HydrophobicContact CG-CG2 4.46Å; I192-V215 HydrophobicContact CD1-CG2 4.37Å; S213-V215 PolarHBondContact O-N 3.03Å |
| 216 | A | 97.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 58.8 Ų | 58.8 | 2% | 0.017 | 35% | 0.353 | C | S | . | . | trans | -133.9 | 157.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110 | Y163 K164 I165 | Y163-A216 HydrophobicContact CD1-CB 4.22Å; Y163-A216 HydrophobicContact CG-CB 3.85Å; K164-A216 PolarHBondContact O-N 3.42Å; I165-A216 WeakPolarHBondContact CG2-O 3.35Å | ||
| 217 | N | 98.5 | Very high | 96.6 | Very high | 10 Ų | 10 | 51.7 Ų | 51.7 | 5% | 0.053 | 31% | 0.314 | C | S | . | . | trans | -90.3 | 148.8 | 167.9 | -78.8 | -33 | 0 | 0 | 0 | 109.5 | L184 H185 A187 T219 D220 | L184-N217 WeakPolarHBondContact O-CA 3.5Å; H185-N217 WeakPolarHBondContact O-CB 3.45Å; A187-N217 PolarHBondContact N-ND2 2.94Å; A187-N217 PolarHBondContact N-OD1 2.83Å; A187-N217 PolarHBondContact O-ND2 3.33Å; N217-T219 PolarHBondContact O-N 3.4Å; N217-D220 PolarHBondContact N-OD2 3.06Å; N217-D220 WeakPolarHBondContact O-CB 3.3Å; N217-D220 PolarHBondContact O-N 3.23Å; N217-D220 VanDerWaalsContact O-N 3.17Å | ||
| 218 | L | 98.3 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57 | -40.4 | 170.4 | -69.6 | 169.6 | 0 | 0 | 0 | 111.4 | L140 L147 I165 L183 L184 H185 D220 H221 A222 L225 L230 | L140-L218 HydrophobicContact CD1-CD2 4.24Å; L140-L218 HydrophobicContact CD2-CD1 3.72Å; L140-L218 HydrophobicContact CD2-CD2 4.06Å; L147-L218 HydrophobicContact CD1-CD2 4Å; I165-L218 HydrophobicContact CD1-CD2 3.77Å; L183-L218 HydrophobicContact CD1-CD1 4.05Å; L183-L218 HydrophobicContact CD2-CD1 4.13Å; L183-L218 HydrophobicContact CG-CD1 3.93Å; L184-L218 WeakPolarHBondContact O-CG 3.44Å; L184-L218 PolarHBondContact O-N 3.4Å; H185-L218 PolarHBondContact O-N 3.13Å; L218-D220 PolarHBondContact O-N 2.72Å; L218-H221 PolarHBondContact O-N 2.73Å; L218-A222 PolarHBondContact O-N 2.84Å; L218-L225 HydrophobicContact CB-CD2 4.06Å; L218-L225 HydrophobicContact CD1-CD2 4.12Å; L218-L230 HydrophobicContact CD1-CD1 4.41Å; L218-L230 HydrophobicContact CD1-CD2 4.18Å |
| 219 | T | 97.8 | Very high | 96.5 | Very high | 33 Ų | 33 | 57.1 Ų | 57.1 | 20% | 0.202 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.8 | -18.5 | 179.7 | 48.5 | 0 | 0 | 0 | 0 | 114.2 | H185 N217 H221 P223 | H185-T219 WeakPolarHBondContact O-CB 3.21Å; H185-T219 WeakPolarHBondContact O-CG2 3.01Å; H185-T219 PolarHBondContact O-N 2.94Å; H185-T219 PolarHBondContact O-OG1 2.85Å; N217-T219 PolarHBondContact O-N 3.4Å; T219-H221 PolarHBondContact O-N 3.09Å; T219-P223 VanDerWaalsContact O-CA 3.29Å; T219-P223 WeakPolarHBondContact O-CA 3.42Å; T219-P223 WeakPolarHBondContact O-CG 3.24Å |
| 220 | D | 96.8 | Very high | 96.6 | Very high | 66 Ų | 66 | 52.6 Ų | 52.6 | 35% | 0.353 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -66 | -28.9 | 172.1 | -62.7 | -37.4 | 0 | 0 | 0 | 111.7 | R189 N217 L218 | R189-D220 IonicContact CZ-OD1 3.96Å; R189-D220 IonicContact CZ-OD2 2.69Å; R189-D220 IonicContact NE-OD2 2.93Å; R189-D220 IonicContact NH1-OD1 2.84Å; R189-D220 IonicContact NH1-OD2 3.74Å; R189-D220 PolarHBondContact NH1-OD2 3.39Å; R189-D220 VanDerWaalsContact NH2-CG 3.33Å; R189-D220 IonicContact NH2-OD1 3.33Å; R189-D220 PolarHBondContact NH2-OD1 3.38Å; R189-D220 IonicContact NH2-OD2 3.54Å; R189-D220 PolarHBondContact NH2-OD2 3.15Å; R189-D220 VanDerWaalsContact NH2-OD2 3.08Å; N217-D220 PolarHBondContact N-OD2 3.06Å; N217-D220 WeakPolarHBondContact O-CB 3.3Å; N217-D220 PolarHBondContact O-N 3.23Å; N217-D220 VanDerWaalsContact O-N 3.17Å; L218-D220 PolarHBondContact O-N 2.72Å |
| 221 | H | 96.8 | Very high | 96.6 | Very high | 76 Ų | 76 | 52.3 Ų | 52.3 | 35% | 0.352 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -114.4 | -19.7 | -174.5 | -65.1 | -88.3 | 0 | 0 | 0 | 113.3 | L147 L159 N160 L218 T219 | L147-H221 HydrophobicContact CD2-CB 3.94Å; L159-H221 HydrophobicContact CD2-CB 4.11Å; L159-H221 WeakPolarHBondContact CD2-CD2 3.43Å; N160-H221 PolarHBondContact ND2-CE1 2.74Å; L218-H221 PolarHBondContact O-N 2.73Å; T219-H221 PolarHBondContact O-N 3.09Å |
| 222 | A | 96.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | trans | -134.5 | 73.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | R144 L147 L218 S224 L225 | R144-A222 HydrophobicContact CG-CB 4Å; L147-A222 HydrophobicContact CD1-CB 4.45Å; L147-A222 HydrophobicContact CD2-CB 4.24Å; L218-A222 PolarHBondContact O-N 2.84Å; A222-S224 PolarHBondContact O-N 3.24Å; A222-S224 VanDerWaalsContact O-N 3.07Å; A222-L225 HydrophobicContact CB-CB 4.12Å; A222-L225 VanDerWaalsContact O-CB 3.26Å; A222-L225 WeakPolarHBondContact O-CB 3.48Å; A222-L225 PolarHBondContact O-N 2.85Å | ||
| 223 | P | 96.6 | Very high | 96.9 | Very high | 100 Ų | 100 | 47.7 Ų | 47.7 | 65% | 0.649 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.2 | -174.6 | -24.3 | 33.6 | 0 | 0 | 0 | 114.7 | T219 L225 | T219-P223 VanDerWaalsContact O-CA 3.29Å; T219-P223 WeakPolarHBondContact O-CA 3.42Å; T219-P223 WeakPolarHBondContact O-CG 3.24Å; P223-L225 VanDerWaalsContact C-N 3.35Å |
| 224 | S | 96.3 | Very high | 97.1 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 51% | 0.51 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.6 | 177.6 | 68.3 | 0 | 0 | 0 | 0 | 113.9 | R144 A222 Q226 | R144-S224 PolarHBondContact NH2-O 2.76Å; R144-S224 PolarHBondContact NH2-OG 3.03Å; A222-S224 PolarHBondContact O-N 3.24Å; A222-S224 VanDerWaalsContact O-N 3.07Å; S224-Q226 PolarHBondContact O-N 3.48Å; S224-Q226 VanDerWaalsContact O-N 3.09Å; S224-Q226 PolarHBondContact O-NE2 3.17Å |
| 225 | L | 97.4 | Very high | 97.2 | Very high | 2 Ų | 2 | 42.3 Ų | 42.3 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | trans | -63.9 | 111.7 | -179.4 | -178 | 61.6 | 0 | 0 | 0 | 109.3 | V143 R144 H185 L218 A222 P223 E229 | V143-L225 HydrophobicContact CG2-CD1 3.96Å; R144-L225 HydrophobicContact CG-CD1 4.2Å; H185-L225 PolarHBondContact NE2-O 3.07Å; H185-L225 VanDerWaalsContact NE2-O 3.1Å; L218-L225 HydrophobicContact CB-CD2 4.06Å; L218-L225 HydrophobicContact CD1-CD2 4.12Å; A222-L225 HydrophobicContact CB-CB 4.12Å; A222-L225 VanDerWaalsContact O-CB 3.26Å; A222-L225 WeakPolarHBondContact O-CB 3.48Å; A222-L225 PolarHBondContact O-N 2.85Å; P223-L225 VanDerWaalsContact C-N 3.35Å; L225-E229 HydrophobicContact CD1-CG 4.2Å | ||
| 226 | Q | 97.9 | Very high | 97.1 | Very high | 108 Ų | 108 | 44.4 Ų | 44.4 | 51% | 0.505 | 23% | 0.231 | S | C | . | . | trans | -85.2 | 156.2 | 177.5 | -60.5 | -52.2 | -63.6 | 0 | 0 | 110.5 | S224 E228 E229 L230 | S224-Q226 PolarHBondContact O-N 3.48Å; S224-Q226 VanDerWaalsContact O-N 3.09Å; S224-Q226 PolarHBondContact O-NE2 3.17Å; Q226-E228 PolarHBondContact O-N 3.01Å; Q226-E229 HydrophobicContact CB-CB 4.29Å; Q226-E229 PolarHBondContact N-OE2 3.02Å; Q226-E229 PolarHBondContact O-N 3.45Å; Q226-L230 PolarHBondContact O-N 2.95Å; Q226-L230 VanDerWaalsContact O-N 3.09Å | ||
| 227 | W | 97.1 | Very high | 97.1 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 8% | 0.076 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.3 | -45.8 | -178.3 | -179 | -93.5 | 0 | 0 | 0 | 112.2 | R70 L116 H185 E229 L230 L231 | R70-W227 HydrophobicContact CG-CH2 3.73Å; R70-W227 HydrophobicContact CG-CZ2 3.61Å; R70-W227 VanDerWaalsContact CZ-CZ2 3.41Å; R70-W227 VanDerWaalsContact CZ-NE1 3.28Å; R70-W227 VanDerWaalsContact NE-CZ2 3.25Å; R70-W227 VanDerWaalsContact NH1-CD2 3.27Å; L116-W227 HydrophobicContact CB-CH2 3.58Å; L116-W227 HydrophobicContact CB-CZ2 4.2Å; L116-W227 HydrophobicContact CB-CZ3 4.4Å; L116-W227 HydrophobicContact CD1-CH2 4.19Å; L116-W227 HydrophobicContact CD1-CZ2 3.96Å; L116-W227 HydrophobicContact CG-CH2 4.41Å; H185-W227 HydrophobicContact CB-CE3 4.04Å; H185-W227 HydrophobicContact CB-CZ3 3.7Å; H185-W227 AromaticContact CG-CE3 3.77Å; H185-W227 AromaticContact CG-CZ3 3.97Å; H185-W227 AromaticContact ND1-CE3 3.71Å; W227-E229 VanDerWaalsContact C-N 3.32Å; W227-E229 PolarHBondContact O-N 3.45Å; W227-L230 WeakPolarHBondContact O-CB 3.48Å; W227-L230 PolarHBondContact O-N 2.9Å; W227-L231 HydrophobicContact CZ2-CD2 4.24Å; W227-L231 HydrophobicContact CZ2-CG 4.48Å; W227-L231 PolarHBondContact O-N 3.19Å |
| 228 | E | 96.6 | Very high | 96.9 | Very high | 128 Ų | 128 | 44.5 Ų | 44.5 | 60% | 0.598 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -64.4 | -39.9 | -178.9 | -66.2 | 65.5 | -142.6 | 0 | 0 | 110.9 | Q226 L230 L231 E232 | Q226-E228 PolarHBondContact O-N 3.01Å; E228-L230 PolarHBondContact O-N 2.93Å; E228-L231 PolarHBondContact O-N 3.13Å; E228-E232 WeakPolarHBondContact O-CB 3.35Å; E228-E232 PolarHBondContact O-N 3.11Å |
| 229 | E | 97.1 | Very high | 96.7 | Very high | 61 Ų | 61 | 45.4 Ų | 45.4 | 29% | 0.285 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62 | -42.4 | 175.6 | -179.2 | -178 | -159.4 | 0 | 0 | 111.5 | V143 R144 L225 Q226 W227 A233 | V143-E229 HydrophobicContact CB-CG 4.33Å; V143-E229 HydrophobicContact CG1-CG 3.99Å; R144-E229 IonicContact CZ-OE1 3.39Å; R144-E229 IonicContact CZ-OE2 3.31Å; R144-E229 VanDerWaalsContact CZ-OE2 3.31Å; R144-E229 VanDerWaalsContact NH1-CD 3.34Å; R144-E229 IonicContact NH1-OE1 2.65Å; R144-E229 PolarHBondContact NH1-OE1 3.49Å; R144-E229 IonicContact NH1-OE2 3.41Å; R144-E229 PolarHBondContact NH1-OE2 3.39Å; R144-E229 IonicContact NH2-OE1 3.33Å; R144-E229 PolarHBondContact NH2-OE1 3Å; R144-E229 IonicContact NH2-OE2 2.65Å; R144-E229 PolarHBondContact NH2-OE2 3.43Å; L225-E229 HydrophobicContact CD1-CG 4.2Å; Q226-E229 HydrophobicContact CB-CB 4.29Å; Q226-E229 PolarHBondContact N-OE2 3.02Å; Q226-E229 PolarHBondContact O-N 3.45Å; W227-E229 VanDerWaalsContact C-N 3.32Å; W227-E229 PolarHBondContact O-N 3.45Å; E229-A233 VanDerWaalsContact O-CB 3.3Å; E229-A233 WeakPolarHBondContact O-CB 3.47Å; E229-A233 PolarHBondContact O-N 2.76Å |
| 230 | L | 97.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.5 | -47.5 | 175 | 173.4 | 62.9 | 0 | 0 | 0 | 111.7 | L116 L140 L183 H185 L218 Q226 W227 E228 A233 V234 | L116-L230 HydrophobicContact CD2-CD2 4.35Å; L116-L230 HydrophobicContact CD2-CG 4.47Å; L140-L230 HydrophobicContact CD2-CD1 3.6Å; L183-L230 HydrophobicContact CD2-CD1 3.88Å; L183-L230 HydrophobicContact CD2-CD2 4.11Å; L183-L230 HydrophobicContact CD2-CG 4.48Å; H185-L230 HydrophobicContact CB-CD2 4.11Å; L218-L230 HydrophobicContact CD1-CD1 4.41Å; L218-L230 HydrophobicContact CD1-CD2 4.18Å; Q226-L230 PolarHBondContact O-N 2.95Å; Q226-L230 VanDerWaalsContact O-N 3.09Å; W227-L230 WeakPolarHBondContact O-CB 3.48Å; W227-L230 PolarHBondContact O-N 2.9Å; E228-L230 PolarHBondContact O-N 2.93Å; L230-A233 PolarHBondContact O-N 3.04Å; L230-V234 HydrophobicContact CD1-CG2 4.37Å; L230-V234 WeakPolarHBondContact O-CG2 3.22Å; L230-V234 PolarHBondContact O-N 3.15Å; L230-V234 VanDerWaalsContact O-N 3.15Å |
| 231 | L | 96.7 | Very high | 96.3 | Very high | 26 Ų | 26 | 47.3 Ų | 47.3 | 14% | 0.136 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.1 | -49.8 | 178.8 | -74 | -177.9 | 0 | 0 | 0 | 111.1 | L68 L116 W227 E228 A233 V234 V235 | L68-L231 HydrophobicContact CD1-CD2 4.23Å; L116-L231 HydrophobicContact CD1-CD2 3.68Å; L116-L231 HydrophobicContact CD2-CD2 3.95Å; L116-L231 HydrophobicContact CG-CD2 4.49Å; W227-L231 HydrophobicContact CZ2-CD2 4.24Å; W227-L231 HydrophobicContact CZ2-CG 4.48Å; W227-L231 PolarHBondContact O-N 3.19Å; E228-L231 PolarHBondContact O-N 3.13Å; L231-A233 VanDerWaalsContact C-N 3.31Å; L231-A233 PolarHBondContact O-N 3.13Å; L231-V234 PolarHBondContact O-N 3.49Å; L231-V235 WeakPolarHBondContact O-CG2 3.41Å; L231-V235 PolarHBondContact O-N 3.43Å |
| 232 | E | 96.2 | Very high | 96 | Very high | 117 Ų | 117 | 46 Ų | 46 | 55% | 0.547 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.9 | -43.3 | -179.4 | -175.8 | 172.1 | -171.6 | 0 | 0 | 111.3 | E228 V234 V235 Q236 | E228-E232 WeakPolarHBondContact O-CB 3.35Å; E228-E232 PolarHBondContact O-N 3.11Å; E232-V234 VanDerWaalsContact C-N 3.34Å; E232-V234 PolarHBondContact O-N 3.34Å; E232-V235 PolarHBondContact O-N 3.1Å; E232-Q236 HydrophobicContact CG-CG 4.15Å; E232-Q236 WeakPolarHBondContact O-CB 3.34Å; E232-Q236 VanDerWaalsContact O-CG 3.25Å; E232-Q236 WeakPolarHBondContact O-CG 3.35Å; E232-Q236 PolarHBondContact O-N 2.86Å; E232-Q236 PolarHBondContact OE1-NE2 3.25Å |
| 233 | A | 97.1 | Very high | 95.5 | Very high | 2 Ų | 2 | 48.6 Ų | 48.6 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -42.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | A139 V143 E229 L230 L231 Q237 | A139-A233 HydrophobicContact CB-CB 4.21Å; A139-A233 WeakPolarHBondContact CB-O 3.43Å; V143-A233 HydrophobicContact CG1-CB 3.44Å; V143-A233 VanDerWaalsContact CG1-CB 3.44Å; V143-A233 HydrophobicContact CG2-CB 4.3Å; E229-A233 VanDerWaalsContact O-CB 3.3Å; E229-A233 WeakPolarHBondContact O-CB 3.47Å; E229-A233 PolarHBondContact O-N 2.76Å; L230-A233 PolarHBondContact O-N 3.04Å; L231-A233 VanDerWaalsContact C-N 3.31Å; L231-A233 PolarHBondContact O-N 3.13Å; A233-Q237 WeakPolarHBondContact O-CB 2.93Å; A233-Q237 PolarHBondContact O-N 2.62Å |
| 234 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.4 | -47 | 177 | 166.4 | 0 | 0 | 0 | 0 | 110.7 | L66 L68 L118 A139 L230 L231 E232 Q237 Y238 | L66-V234 HydrophobicContact CD2-CG1 4.08Å; L68-V234 HydrophobicContact CD2-CG1 3.98Å; L118-V234 HydrophobicContact CD2-CG1 3.41Å; L118-V234 VanDerWaalsContact CD2-CG1 3.41Å; L118-V234 HydrophobicContact CD2-CG2 4.35Å; A139-V234 HydrophobicContact CB-CG2 4.06Å; L230-V234 HydrophobicContact CD1-CG2 4.37Å; L230-V234 WeakPolarHBondContact O-CG2 3.22Å; L230-V234 PolarHBondContact O-N 3.15Å; L230-V234 VanDerWaalsContact O-N 3.15Å; L231-V234 PolarHBondContact O-N 3.49Å; E232-V234 VanDerWaalsContact C-N 3.34Å; E232-V234 PolarHBondContact O-N 3.34Å; V234-Q237 PolarHBondContact O-N 3.01Å; V234-Y238 WeakPolarHBondContact O-CB 3.18Å; V234-Y238 PolarHBondContact O-N 3.48Å |
| 235 | V | 96.6 | Very high | 94 | Very high | 18 Ų | 18 | 48 Ų | 48 | 11% | 0.109 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.8 | -48.9 | 178.5 | 173.6 | 0 | 0 | 0 | 0 | 110.5 | V36 L68 L231 E232 Q237 Y238 S239 | V36-V235 HydrophobicContact CG1-CG1 4.24Å; V36-V235 HydrophobicContact CG1-CG2 3.88Å; V36-V235 HydrophobicContact CG2-CG1 4.44Å; L68-V235 HydrophobicContact CD1-CG2 3.56Å; L231-V235 WeakPolarHBondContact O-CG2 3.41Å; L231-V235 PolarHBondContact O-N 3.43Å; E232-V235 PolarHBondContact O-N 3.1Å; V235-Q237 PolarHBondContact O-N 3.3Å; V235-Y238 PolarHBondContact O-N 3.09Å; V235-S239 WeakPolarHBondContact O-CB 3.31Å; V235-S239 PolarHBondContact O-N 3.14Å; V235-S239 PolarHBondContact O-OG 3.02Å; V235-S239 VanDerWaalsContact O-OG 3.13Å |
| 236 | Q | 95.6 | Very high | 92.7 | Very high | 89 Ų | 89 | 49.4 Ų | 49.4 | 42% | 0.416 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 177.8 | -72.2 | 178.2 | 2 | 0 | 0 | 111.7 | E232 S239 S240 | E232-Q236 HydrophobicContact CG-CG 4.15Å; E232-Q236 WeakPolarHBondContact O-CB 3.34Å; E232-Q236 VanDerWaalsContact O-CG 3.25Å; E232-Q236 WeakPolarHBondContact O-CG 3.35Å; E232-Q236 PolarHBondContact O-N 2.86Å; E232-Q236 PolarHBondContact OE1-NE2 3.25Å; Q236-S239 PolarHBondContact O-N 3.41Å; Q236-S240 WeakPolarHBondContact O-CB 3.45Å; Q236-S240 PolarHBondContact O-N 3.49Å |
| 237 | Q | 96.8 | Very high | 91.8 | Very high | 12 Ų | 12 | 48 Ų | 48 | 6% | 0.056 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 178.3 | -174.5 | 56.9 | 32.7 | 0 | 0 | 112.1 | V135 D138 A139 A233 V234 V235 S240 E241 | V135-Q237 HydrophobicContact CB-CG 4.2Å; V135-Q237 HydrophobicContact CG1-CB 4.13Å; V135-Q237 HydrophobicContact CG1-CG 3.86Å; V135-Q237 WeakPolarHBondContact O-CG 3.41Å; D138-Q237 HydrophobicContact CB-CG 4.15Å; A139-Q237 HydrophobicContact CB-CB 3.84Å; A139-Q237 HydrophobicContact CB-CG 4.33Å; A233-Q237 WeakPolarHBondContact O-CB 2.93Å; A233-Q237 PolarHBondContact O-N 2.62Å; V234-Q237 PolarHBondContact O-N 3.01Å; V235-Q237 PolarHBondContact O-N 3.3Å; Q237-S240 PolarHBondContact O-N 3.12Å; Q237-E241 VanDerWaalsContact O-CB 3.31Å; Q237-E241 WeakPolarHBondContact O-CB 3.42Å; Q237-E241 PolarHBondContact O-N 2.81Å |
| 238 | Y | 95.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -47.9 | 176.6 | -178.4 | -99.6 | 0 | 0 | 0 | 111 | V36 S64 I65 L66 F120 V135 V234 V235 S240 E241 F242 L244 | V36-Y238 HydrophobicContact CG2-CD1 3.61Å; V36-Y238 HydrophobicContact CG2-CE1 3.95Å; S64-Y238 VanDerWaalsContact CB-OH 3.25Å; S64-Y238 WeakPolarHBondContact CB-OH 3.43Å; S64-Y238 PolarHBondContact OG-OH 2.59Å; S64-Y238 VanDerWaalsContact OG-OH 3.12Å; I65-Y238 PolarHBondContact N-OH 3.38Å; L66-Y238 HydrophobicContact CB-CD1 3.74Å; L66-Y238 HydrophobicContact CB-CD2 4.02Å; L66-Y238 HydrophobicContact CB-CE1 3.53Å; L66-Y238 HydrophobicContact CB-CE2 3.84Å; L66-Y238 HydrophobicContact CB-CG 3.97Å; L66-Y238 HydrophobicContact CD2-CD1 3.91Å; L66-Y238 HydrophobicContact CD2-CD2 3.96Å; L66-Y238 HydrophobicContact CD2-CG 3.56Å; L66-Y238 HydrophobicContact CG-CD1 4.49Å; L66-Y238 HydrophobicContact CG-CD2 4.47Å; L66-Y238 HydrophobicContact CG-CG 4.37Å; L66-Y238 PolarHBondContact N-OH 2.88Å; F120-Y238 AromaticContact CD1-CD2 3.99Å; F120-Y238 HydrophobicContact CD1-CD2 3.99Å; F120-Y238 AromaticContact CD1-CE2 3.79Å; F120-Y238 HydrophobicContact CD1-CE2 3.79Å; F120-Y238 AromaticContact CE1-CD2 3.8Å; F120-Y238 HydrophobicContact CE1-CD2 3.8Å; F120-Y238 HydrophobicContact CE1-CE2 4.1Å; V135-Y238 HydrophobicContact CG1-CD2 4.48Å; V234-Y238 WeakPolarHBondContact O-CB 3.18Å; V234-Y238 PolarHBondContact O-N 3.48Å; V235-Y238 PolarHBondContact O-N 3.09Å; Y238-S240 VanDerWaalsContact C-N 3.31Å; Y238-S240 PolarHBondContact O-N 2.91Å; Y238-E241 PolarHBondContact O-N 2.69Å; Y238-E241 VanDerWaalsContact O-N 3.17Å; Y238-F242 HydrophobicContact CD1-CD2 4.42Å; Y238-F242 AromaticContact CD2-CD2 3.39Å; Y238-F242 HydrophobicContact CD2-CD2 3.39Å; Y238-F242 AromaticContact CD2-CE2 3.41Å; Y238-F242 HydrophobicContact CD2-CE2 3.41Å; Y238-F242 VanDerWaalsContact CD2-CE2 3.41Å; Y238-F242 HydrophobicContact CE1-CD2 4.35Å; Y238-F242 AromaticContact CE2-CD2 3.27Å; Y238-F242 HydrophobicContact CE2-CD2 3.27Å; Y238-F242 AromaticContact CE2-CE2 3.25Å; Y238-F242 HydrophobicContact CE2-CE2 3.25Å; Y238-F242 HydrophobicContact CE2-CG 4.17Å; Y238-F242 HydrophobicContact CE2-CZ 4.11Å; Y238-F242 AromaticContact CG-CD2 3.99Å; Y238-F242 HydrophobicContact CG-CD2 3.99Å; Y238-F242 HydrophobicContact CG-CE2 4.4Å; Y238-F242 AromaticContact CZ-CD2 3.79Å; Y238-F242 WeakPolarHBondContact O-CD2 3.33Å; Y238-F242 PolarHBondContact O-N 3.26Å; Y238-L244 HydrophobicContact CD1-CD1 3.74Å; Y238-L244 HydrophobicContact CE1-CD1 3.35Å |
| 239 | S | 93.9 | Very high | 91.2 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -59.7 | -41.2 | 177.9 | -67 | 0 | 0 | 0 | 0 | 112.2 | V235 Q236 G243 L244 | V235-S239 WeakPolarHBondContact O-CB 3.31Å; V235-S239 PolarHBondContact O-N 3.14Å; V235-S239 PolarHBondContact O-OG 3.02Å; V235-S239 VanDerWaalsContact O-OG 3.13Å; Q236-S239 PolarHBondContact O-N 3.41Å; S239-G243 CarbonylContact O-C 3.51Å; S239-G243 WeakPolarHBondContact O-CA 3.29Å; S239-G243 PolarHBondContact O-N 3.18Å; S239-L244 PolarHBondContact O-N 2.65Å |
| 240 | S | 93.5 | Very high | 91.2 | Very high | 88 Ų | 88 | 48.5 Ų | 48.5 | 62% | 0.615 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 174.8 | -175.8 | 0 | 0 | 0 | 0 | 112.8 | Q236 Q237 Y238 F242 | Q236-S240 WeakPolarHBondContact O-CB 3.45Å; Q236-S240 PolarHBondContact O-N 3.49Å; Q237-S240 PolarHBondContact O-N 3.12Å; Y238-S240 VanDerWaalsContact C-N 3.31Å; Y238-S240 PolarHBondContact O-N 2.91Å; S240-F242 VanDerWaalsContact C-N 3.34Å |
| 241 | E | 92.9 | Very high | 91.1 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 24% | 0.238 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -68.5 | -33.7 | -177.3 | -178.7 | 64.6 | -146.6 | 0 | 0 | 112.3 | R131 V135 Q237 Y238 | R131-E241 HydrophobicContact CG-CG 4.5Å; R131-E241 IonicContact CZ-OE1 3.3Å; R131-E241 IonicContact NE-OE1 2.94Å; R131-E241 PolarHBondContact NE-OE1 3.13Å; R131-E241 PolarHBondContact NH2-O 3.08Å; R131-E241 IonicContact NH2-OE1 3.24Å; R131-E241 PolarHBondContact NH2-OE1 3.37Å; V135-E241 HydrophobicContact CG2-CB 3.86Å; V135-E241 HydrophobicContact CG2-CG 3.71Å; Q237-E241 VanDerWaalsContact O-CB 3.31Å; Q237-E241 WeakPolarHBondContact O-CB 3.42Å; Q237-E241 PolarHBondContact O-N 2.81Å; Y238-E241 PolarHBondContact O-N 2.69Å; Y238-E241 VanDerWaalsContact O-N 3.17Å |
| 242 | F | 89.7 | Confident | 91.2 | Very high | 47 Ų | 47 | 50.9 Ų | 50.9 | 21% | 0.206 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -108.9 | 7 | -175.6 | -64.5 | -82.1 | 0 | 0 | 0 | 113.9 | V135 Y238 S240 L244 | V135-F242 HydrophobicContact CG2-CE2 4.19Å; Y238-F242 HydrophobicContact CD1-CD2 4.42Å; Y238-F242 AromaticContact CD2-CD2 3.39Å; Y238-F242 HydrophobicContact CD2-CD2 3.39Å; Y238-F242 AromaticContact CD2-CE2 3.41Å; Y238-F242 HydrophobicContact CD2-CE2 3.41Å; Y238-F242 VanDerWaalsContact CD2-CE2 3.41Å; Y238-F242 HydrophobicContact CE1-CD2 4.35Å; Y238-F242 AromaticContact CE2-CD2 3.27Å; Y238-F242 HydrophobicContact CE2-CD2 3.27Å; Y238-F242 AromaticContact CE2-CE2 3.25Å; Y238-F242 HydrophobicContact CE2-CE2 3.25Å; Y238-F242 HydrophobicContact CE2-CG 4.17Å; Y238-F242 HydrophobicContact CE2-CZ 4.11Å; Y238-F242 AromaticContact CG-CD2 3.99Å; Y238-F242 HydrophobicContact CG-CD2 3.99Å; Y238-F242 HydrophobicContact CG-CE2 4.4Å; Y238-F242 AromaticContact CZ-CD2 3.79Å; Y238-F242 WeakPolarHBondContact O-CD2 3.33Å; Y238-F242 PolarHBondContact O-N 3.26Å; S240-F242 VanDerWaalsContact C-N 3.34Å; F242-L244 HydrophobicContact CB-CD1 4.35Å; F242-L244 HydrophobicContact CB-CD2 4.35Å; F242-L244 HydrophobicContact CB-CG 4.04Å |
| 243 | G | 87.3 | Confident | 91.2 | Very high | 57 Ų | 57 | 45.3 Ų | 45.3 | 59% | 0.588 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | 35.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | S239 | S239-G243 CarbonylContact O-C 3.51Å; S239-G243 WeakPolarHBondContact O-CA 3.29Å; S239-G243 PolarHBondContact O-N 3.18Å |
| 244 | L | 85.6 | Confident | 91.1 | Very high | 17 Ų | 17 | 47.1 Ų | 47.1 | 9% | 0.089 | 29% | 0.294 | C | S | . | . | trans | -91.9 | 138.6 | -177.3 | -48.5 | -177.9 | 0 | 0 | 0 | 111.1 | P33 V36 Y238 S239 F242 | P33-L244 HydrophobicContact CG-CD2 4.01Å; V36-L244 HydrophobicContact CG2-CD1 4.5Å; Y238-L244 HydrophobicContact CD1-CD1 3.74Å; Y238-L244 HydrophobicContact CE1-CD1 3.35Å; S239-L244 PolarHBondContact O-N 2.65Å; F242-L244 HydrophobicContact CB-CD1 4.35Å; F242-L244 HydrophobicContact CB-CD2 4.35Å; F242-L244 HydrophobicContact CB-CG 4.04Å | ||
| 245 | T | 74.8 | Confident | 91.1 | Very high | 144 Ų | 144 | 49.9 Ų | 49.9 | 88% | 0.883 | 31% | 0.308 | S | S | * | . | trans | -109.1 | -10.7 | 176.1 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 246 | S | 70 | Confident | 91 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 22% | 0.217 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 136.8 | -177.9 | -60.2 | 0 | 0 | 0 | 0 | 112 | S32 | S32-S246 PolarHBondContact OG-OG 3.31Š|
| 247 | A | 79 | Confident | 91 | Very high | 80 Ų | 80 | 52.9 Ų | 52.9 | 66% | 0.661 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -65.6 | 156.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 248 | S | 88.5 | Confident | 90.8 | Very high | 47 Ų | 47 | 53.5 Ų | 53.5 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -62.8 | 137.5 | 172.5 | 56 | 0 | 0 | 0 | 0 | 111.4 | V36 Q38 | V36-S248 WeakPolarHBondContact O-CA 3.04Å; Q38-S248 PolarHBondContact NE2-OG 2.84Å |
| 249 | R | 93.1 | Very high | 90.8 | Very high | 94 Ų | 94 | 53.4 Ų | 53.4 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 129.6 | 177.9 | -61.3 | -173.3 | -177.6 | 169.3 | -0.2 | 110.4 | V36 L37 Q38 | V36-R249 PolarHBondContact O-N 2.73Å; L37-R249 CarbonylContact C-O 3.56Å; L37-R249 WeakPolarHBondContact CA-O 3.44Å; L37-R249 HydrophobicContact CD2-CB 4.27Å; Q38-R249 PolarHBondContact N-O 3.35Å |
| 250 | C | 95.8 | Very high | 91 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 52% | 0.52 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 139.6 | 168.9 | -67.2 | 0 | 0 | 0 | 0 | 109.7 | Q38 Q40 | Q38-C250 CarbonylContact O-C 3.59Å; Q38-C250 VanDerWaalsContact O-CA 3.3Å; Q38-C250 WeakPolarHBondContact O-CA 3.48Å; Q40-C250 HydrophobicContact CG-CB 3.92Å |
| 251 | V | 96.9 | Very high | 91.2 | Very high | 5 Ų | 5 | 52.4 Ų | 52.4 | 3% | 0.03 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 144 | 176.1 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | L26 L37 Q38 Q40 L50 P253 L258 F259 | L26-V251 HydrophobicContact CD1-CG1 4.14Å; L37-V251 HydrophobicContact CB-CG2 4.42Å; L37-V251 HydrophobicContact CD2-CG1 3.88Å; Q38-V251 PolarHBondContact O-N 3.04Å; Q40-V251 PolarHBondContact N-O 2.92Å; L50-V251 HydrophobicContact CD2-CG2 3.92Å; V251-P253 WeakPolarHBondContact O-CD 3.28Å; V251-L258 HydrophobicContact CG1-CD2 4.29Å; V251-F259 HydrophobicContact CB-CE2 4.22Å; V251-F259 HydrophobicContact CB-CZ 4.01Å; V251-F259 HydrophobicContact CG1-CZ 4.21Å; V251-F259 HydrophobicContact CG2-CZ 4.31Å |
| 252 | D | 97.6 | Very high | 91.4 | Very high | 71 Ų | 71 | 50 Ų | 50 | 38% | 0.38 | 32% | 0.316 | S | S | . | . | trans | -88.9 | 111.4 | 166.9 | -178.9 | -1.3 | 0 | 0 | 0 | 108.6 | A254 D255 F259 | D252-A254 PolarHBondContact O-N 3.24Å; D252-A254 VanDerWaalsContact O-N 3.1Å; D252-A254 PolarHBondContact OD1-N 3.12Å; D252-D255 HydrophobicContact CB-CB 4.31Å; D252-D255 WeakPolarHBondContact O-CB 3.27Å; D252-D255 PolarHBondContact O-N 2.47Å; D252-D255 VanDerWaalsContact O-N 3.09Å; D252-F259 VanDerWaalsContact O-CE2 3.28Å; D252-F259 WeakPolarHBondContact O-CE2 3.43Å | ||
| 253 | P | 96.9 | Very high | 91.8 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -22.2 | 178.6 | -26.7 | 37 | 0 | 0 | 0 | 115 | S39 Q46 N47 L50 V251 V262 | S39-P253 WeakPolarHBondContact OG-CG 3.4Å; Q46-P253 HydrophobicContact CB-CB 4.07Å; N47-P253 WeakPolarHBondContact OD1-CG 3.4Å; L50-P253 HydrophobicContact CB-CB 3.95Å; L50-P253 HydrophobicContact CD2-CB 4.03Å; L50-P253 HydrophobicContact CD2-CG 3.88Å; V251-P253 WeakPolarHBondContact O-CD 3.28Å; P253-V262 WeakPolarHBondContact O-CG1 3.31Å; P253-V262 WeakPolarHBondContact O-CG2 3.46Å |
| 254 | A | 95.8 | Very high | 92.3 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 33% | 0.331 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -0.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | D252 E256 | D252-A254 PolarHBondContact O-N 3.24Å; D252-A254 VanDerWaalsContact O-N 3.1Å; D252-A254 PolarHBondContact OD1-N 3.12Å; A254-E256 PolarHBondContact O-N 3.25Å |
| 255 | D | 96.8 | Very high | 92.9 | Very high | 57 Ų | 57 | 51.3 Ų | 51.3 | 31% | 0.305 | 32% | 0.324 | S | S | . | . | trans | -70.2 | 98.4 | 179.7 | -174.5 | -17.4 | 0 | 0 | 0 | 111.1 | D252 V257 L258 F259 | D252-D255 HydrophobicContact CB-CB 4.31Å; D252-D255 WeakPolarHBondContact O-CB 3.27Å; D252-D255 PolarHBondContact O-N 2.47Å; D252-D255 VanDerWaalsContact O-N 3.09Å; D255-V257 VanDerWaalsContact C-N 3.25Å; D255-V257 PolarHBondContact O-N 3.19Å; D255-V257 WeakPolarHBondContact OD1-CA 3.22Å; D255-V257 VanDerWaalsContact OD1-CB 3.26Å; D255-V257 WeakPolarHBondContact OD1-CB 3.45Å; D255-V257 PolarHBondContact OD1-N 3.22Å; D255-L258 HydrophobicContact CB-CB 3.95Å; D255-L258 PolarHBondContact O-N 2.86Å; D255-L258 PolarHBondContact OD1-N 3.45Å; D255-F259 HydrophobicContact CB-CD2 4.39Å; D255-F259 WeakPolarHBondContact O-CA 3.38Å; D255-F259 WeakPolarHBondContact O-CB 3.2Å; D255-F259 PolarHBondContact O-N 3.31Å | ||
| 256 | E | 95.6 | Very high | 94.1 | Very high | 86 Ų | 86 | 46.6 Ų | 46.6 | 40% | 0.402 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -20.7 | 176 | -79.2 | -71.5 | 173.5 | 0 | 0 | 114 | A254 P260 G261 G263 | A254-E256 PolarHBondContact O-N 3.25Å; E256-P260 WeakPolarHBondContact O-CA 3.5Å; E256-G261 PolarHBondContact OE2-N 2.81Å; E256-G263 VanDerWaalsContact OE1-CA 3.32Å; E256-G263 WeakPolarHBondContact OE1-CA 3.26Å; E256-G263 PolarHBondContact OE1-N 3.32Å |
| 257 | V | 94.4 | Very high | 95.4 | Very high | 84 Ų | 84 | 48.1 Ų | 48.1 | 51% | 0.509 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -39.8 | 173.5 | 179 | 0 | 0 | 0 | 0 | 109.2 | S22 S23 D255 | S22-V257 WeakPolarHBondContact OG-CG1 3.46Å; S23-V257 VanDerWaalsContact CB-O 3.23Å; S23-V257 WeakPolarHBondContact CB-O 3.2Å; D255-V257 VanDerWaalsContact C-N 3.25Å; D255-V257 PolarHBondContact O-N 3.19Å; D255-V257 WeakPolarHBondContact OD1-CA 3.22Å; D255-V257 VanDerWaalsContact OD1-CB 3.26Å; D255-V257 WeakPolarHBondContact OD1-CB 3.45Å; D255-V257 PolarHBondContact OD1-N 3.22Å |
| 258 | L | 92.9 | Very high | 96.4 | Very high | 25 Ų | 25 | 47.9 Ų | 47.9 | 13% | 0.131 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -37.6 | -179.1 | -170.8 | 56.9 | 0 | 0 | 0 | 113.3 | L26 V251 D255 P260 | L26-L258 HydrophobicContact CB-CD1 4.24Å; L26-L258 HydrophobicContact CD1-CD1 3.51Å; L26-L258 HydrophobicContact CD1-CD2 3.37Å; L26-L258 HydrophobicContact CD1-CG 3.88Å; L26-L258 HydrophobicContact CG-CD1 3.77Å; L26-L258 HydrophobicContact CG-CD2 4.47Å; V251-L258 HydrophobicContact CG1-CD2 4.29Å; D255-L258 HydrophobicContact CB-CB 3.95Å; D255-L258 PolarHBondContact O-N 2.86Å; D255-L258 PolarHBondContact OD1-N 3.45Å; L258-P260 VanDerWaalsContact C-CD 3.42Å; L258-P260 WeakPolarHBondContact O-CD 3.48Å |
| 259 | F | 96.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -123.6 | 69.2 | -178 | -48.7 | -64.8 | 0 | 0 | 0 | 111.1 | F27 L50 W53 V251 D252 D255 G261 V262 | F27-F259 HydrophobicContact CE2-CD1 4.37Å; F27-F259 AromaticContact CE2-CE1 3.79Å; F27-F259 HydrophobicContact CE2-CE1 3.79Å; F27-F259 AromaticContact CZ-CE1 3.97Å; F27-F259 HydrophobicContact CZ-CE1 3.97Å; L50-F259 HydrophobicContact CD1-CD1 3.8Å; L50-F259 HydrophobicContact CD1-CD2 4.03Å; L50-F259 HydrophobicContact CD1-CE1 3.54Å; L50-F259 HydrophobicContact CD1-CE2 3.79Å; L50-F259 HydrophobicContact CD1-CG 4.02Å; L50-F259 HydrophobicContact CD1-CZ 3.54Å; W53-F259 HydrophobicContact CD2-CB 4.01Å; W53-F259 HydrophobicContact CD2-CD1 4.02Å; W53-F259 HydrophobicContact CD2-CG 4.47Å; W53-F259 HydrophobicContact CE3-CB 4.48Å; W53-F259 AromaticContact CE3-CD1 3.62Å; W53-F259 HydrophobicContact CE3-CD1 3.62Å; W53-F259 HydrophobicContact CE3-CE1 4.38Å; W53-F259 HydrophobicContact CE3-CG 4.49Å; W53-F259 HydrophobicContact CG-CB 4.25Å; W53-F259 HydrophobicContact CH2-CD1 4.14Å; W53-F259 HydrophobicContact CZ2-CB 4.42Å; W53-F259 HydrophobicContact CZ2-CD1 4.5Å; W53-F259 AromaticContact CZ3-CD1 3.7Å; W53-F259 HydrophobicContact CZ3-CD1 3.7Å; W53-F259 HydrophobicContact CZ3-CE1 4.32Å; V251-F259 HydrophobicContact CB-CE2 4.22Å; V251-F259 HydrophobicContact CB-CZ 4.01Å; V251-F259 HydrophobicContact CG1-CZ 4.21Å; V251-F259 HydrophobicContact CG2-CZ 4.31Å; D252-F259 VanDerWaalsContact O-CE2 3.28Å; D252-F259 WeakPolarHBondContact O-CE2 3.43Å; D255-F259 HydrophobicContact CB-CD2 4.39Å; D255-F259 WeakPolarHBondContact O-CA 3.38Å; D255-F259 WeakPolarHBondContact O-CB 3.2Å; D255-F259 PolarHBondContact O-N 3.31Å; F259-G261 PolarHBondContact O-N 2.98Å; F259-V262 HydrophobicContact CB-CB 3.83Å; F259-V262 HydrophobicContact CB-CG1 3.88Å; F259-V262 HydrophobicContact CB-CG2 4.43Å; F259-V262 VanDerWaalsContact O-CB 3.27Å; F259-V262 WeakPolarHBondContact O-CB 3.39Å; F259-V262 VanDerWaalsContact O-CG1 3.24Å; F259-V262 WeakPolarHBondContact O-CG1 3.24Å; F259-V262 PolarHBondContact O-N 3.26Å |
| 260 | P | 97.1 | Very high | 97.1 | Very high | 55 Ų | 55 | 44.2 Ų | 44.2 | 36% | 0.357 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 125.6 | -178.1 | -27.3 | 33.4 | 0 | 0 | 0 | 113.1 | W53 E256 L258 | W53-P260 PolarHBondContact NE1-O 2.89Å; E256-P260 WeakPolarHBondContact O-CA 3.5Å; L258-P260 VanDerWaalsContact C-CD 3.42Å; L258-P260 WeakPolarHBondContact O-CD 3.48Å |
| 261 | G | 97.3 | Very high | 97.2 | Very high | 32 Ų | 32 | 42 Ų | 42 | 33% | 0.33 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.5 | 1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | E256 F259 G263 S264 M265 | E256-G261 PolarHBondContact OE2-N 2.81Å; F259-G261 PolarHBondContact O-N 2.98Å; G261-G263 VanDerWaalsContact C-N 3.3Å; G261-G263 PolarHBondContact O-N 3.07Å; G261-S264 WeakPolarHBondContact O-CB 3.09Å; G261-S264 PolarHBondContact O-N 3.26Å; G261-S264 VanDerWaalsContact O-N 3.15Å; G261-M265 PolarHBondContact O-N 3.03Å |
| 262 | V | 98 | Very high | 97.2 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.9 | -36.3 | -178.4 | 70 | 0 | 0 | 0 | 0 | 112.5 | A49 W53 P253 F259 S264 M265 E266 | A49-V262 HydrophobicContact CB-CG2 3.83Å; W53-V262 HydrophobicContact CB-CG2 4.37Å; P253-V262 WeakPolarHBondContact O-CG1 3.31Å; P253-V262 WeakPolarHBondContact O-CG2 3.46Å; F259-V262 HydrophobicContact CB-CB 3.83Å; F259-V262 HydrophobicContact CB-CG1 3.88Å; F259-V262 HydrophobicContact CB-CG2 4.43Å; F259-V262 VanDerWaalsContact O-CB 3.27Å; F259-V262 WeakPolarHBondContact O-CB 3.39Å; F259-V262 VanDerWaalsContact O-CG1 3.24Å; F259-V262 WeakPolarHBondContact O-CG1 3.24Å; F259-V262 PolarHBondContact O-N 3.26Å; V262-S264 VanDerWaalsContact C-N 3.26Å; V262-S264 PolarHBondContact O-N 3.41Å; V262-M265 CarbonylContact O-C 3.59Å; V262-M265 WeakPolarHBondContact O-CA 3.16Å; V262-M265 WeakPolarHBondContact O-CB 3.11Å; V262-M265 PolarHBondContact O-N 3.23Å; V262-E266 PolarHBondContact O-N 2.84Å |
| 263 | G | 98.2 | Very high | 97.2 | Very high | 27 Ų | 27 | 47.1 Ų | 47.1 | 28% | 0.278 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.4 | -28.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E256 G261 A267 | E256-G263 VanDerWaalsContact OE1-CA 3.32Å; E256-G263 WeakPolarHBondContact OE1-CA 3.26Å; E256-G263 PolarHBondContact OE1-N 3.32Å; G261-G263 VanDerWaalsContact C-N 3.3Å; G261-G263 PolarHBondContact O-N 3.07Å; G263-A267 WeakPolarHBondContact O-CB 3.42Å; G263-A267 PolarHBondContact O-N 2.89Å |
| 264 | S | 98.3 | Very high | 97.3 | Very high | 89 Ų | 89 | 47.4 Ų | 47.4 | 62% | 0.622 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -70.6 | -35.2 | 171.3 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | G261 V262 E268 | G261-S264 WeakPolarHBondContact O-CB 3.09Å; G261-S264 PolarHBondContact O-N 3.26Å; G261-S264 VanDerWaalsContact O-N 3.15Å; V262-S264 VanDerWaalsContact C-N 3.26Å; V262-S264 PolarHBondContact O-N 3.41Å; S264-E268 PolarHBondContact O-N 2.91Å; S264-E268 VanDerWaalsContact O-N 3.08Å |
| 265 | M | 98.3 | Very high | 97.4 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 16% | 0.158 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -69.2 | -42 | 174.8 | -54.7 | -178 | 92.5 | 0 | 0 | 110.6 | A49 D52 W53 A56 G261 V262 E268 L269 | A49-M265 HydrophobicContact CB-CB 4.16Å; D52-M265 HydrophobicContact CB-CE 3.68Å; W53-M265 HydrophobicContact CB-SD 3.85Å; W53-M265 HydrophobicContact CG-SD 4.28Å; A56-M265 HydrophobicContact CB-CE 4.43Å; G261-M265 PolarHBondContact O-N 3.03Å; V262-M265 CarbonylContact O-C 3.59Å; V262-M265 WeakPolarHBondContact O-CA 3.16Å; V262-M265 WeakPolarHBondContact O-CB 3.11Å; V262-M265 PolarHBondContact O-N 3.23Å; M265-E268 PolarHBondContact O-N 3.28Å; M265-L269 VanDerWaalsContact O-CG 3.28Å; M265-L269 WeakPolarHBondContact O-CG 3.47Å; M265-L269 PolarHBondContact O-N 3.27Å |
| 266 | E | 98.5 | Very high | 97.4 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 21% | 0.21 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58 | -48.3 | 172.4 | -176 | -172.8 | 172 | 0 | 0 | 111.2 | F45 Q46 A49 V262 E268 L269 C270 | F45-E266 HydrophobicContact CB-CG 3.99Å; Q46-E266 VanDerWaalsContact CG-CD 3.41Å; Q46-E266 HydrophobicContact CG-CG 4.3Å; Q46-E266 VanDerWaalsContact CG-OE1 3.26Å; Q46-E266 WeakPolarHBondContact CG-OE1 3.24Å; Q46-E266 WeakPolarHBondContact CG-OE2 3.39Å; A49-E266 HydrophobicContact CB-CB 3.89Å; V262-E266 PolarHBondContact O-N 2.84Å; E266-E268 VanDerWaalsContact C-N 3.32Å; E266-E268 PolarHBondContact O-N 3.11Å; E266-L269 PolarHBondContact O-N 3.41Å; E266-C270 PolarHBondContact O-N 3.44Å; E266-C270 PolarHBondContact O-SG 3.23Å; E266-C270 VanDerWaalsContact O-SG 3.42Å |
| 267 | A | 98.6 | Very high | 97.5 | Very high | 62 Ų | 62 | 41.3 Ų | 41.3 | 51% | 0.512 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G263 C270 S271 | G263-A267 WeakPolarHBondContact O-CB 3.42Å; G263-A267 PolarHBondContact O-N 2.89Å; A267-C270 PolarHBondContact O-N 2.94Å; A267-S271 PolarHBondContact O-N 3.22Å; A267-S271 VanDerWaalsContact O-N 3.14Å |
| 268 | E | 98.6 | Very high | 97.7 | Very high | 76 Ų | 76 | 41.8 Ų | 41.8 | 36% | 0.355 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -59.8 | -48.1 | 171.6 | -174.9 | -166 | 155.7 | 0 | 0 | 110.5 | R103 S264 M265 E266 C270 S271 W274 | R103-E268 IonicContact CZ-OE1 2.84Å; R103-E268 IonicContact CZ-OE2 3.43Å; R103-E268 IonicContact NH1-OE1 3.05Å; R103-E268 PolarHBondContact NH1-OE1 3.07Å; R103-E268 IonicContact NH1-OE2 3.71Å; R103-E268 IonicContact NH2-OE1 3.29Å; R103-E268 PolarHBondContact NH2-OE1 3.21Å; R103-E268 VanDerWaalsContact NH2-OE1 3.12Å; R103-E268 IonicContact NH2-OE2 3.98Å; R103-E268 PolarHBondContact NH2-OE2 2.84Å; S264-E268 PolarHBondContact O-N 2.91Å; S264-E268 VanDerWaalsContact O-N 3.08Å; M265-E268 PolarHBondContact O-N 3.28Å; E266-E268 VanDerWaalsContact C-N 3.32Å; E266-E268 PolarHBondContact O-N 3.11Å; E268-C270 VanDerWaalsContact C-N 3.32Å; E268-C270 PolarHBondContact O-N 2.84Å; E268-S271 VanDerWaalsContact O-CB 3.29Å; E268-S271 WeakPolarHBondContact O-CB 3.35Å; E268-S271 PolarHBondContact O-N 3.08Å; E268-S271 VanDerWaalsContact O-N 3.09Å; E268-S271 PolarHBondContact O-OG 2.99Å; E268-W274 WeakPolarHBondContact O-CB 3.37Å |
| 269 | L | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -33.8 | -177.3 | -67.8 | 170.8 | 0 | 0 | 0 | 112.8 | F45 L48 A49 M265 E266 S271 W274 T275 | F45-L269 HydrophobicContact CD1-CB 4.13Å; L48-L269 HydrophobicContact CB-CD1 3.7Å; A49-L269 HydrophobicContact CB-CD1 4Å; M265-L269 VanDerWaalsContact O-CG 3.28Å; M265-L269 WeakPolarHBondContact O-CG 3.47Å; M265-L269 PolarHBondContact O-N 3.27Å; E266-L269 PolarHBondContact O-N 3.41Å; L269-S271 VanDerWaalsContact C-N 3.31Å; L269-W274 HydrophobicContact CD2-CZ2 4.36Å; L269-W274 VanDerWaalsContact CD2-NE1 3.31Å; L269-T275 PolarHBondContact O-OG1 2.82Å; L269-T275 VanDerWaalsContact O-OG1 3.11Å |
| 270 | C | 97.8 | Very high | 98 | Very high | 62 Ų | 62 | 42.6 Ų | 42.6 | 42% | 0.419 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -72.3 | -22.6 | 173.7 | -73.2 | 0 | 0 | 0 | 0 | 113.3 | F45 E266 A267 E268 | F45-C270 VanDerWaalsContact CB-SG 3.52Å; F45-C270 WeakPolarHBondContact CG-SG 3.41Å; E266-C270 PolarHBondContact O-N 3.44Å; E266-C270 PolarHBondContact O-SG 3.23Å; E266-C270 VanDerWaalsContact O-SG 3.42Å; A267-C270 PolarHBondContact O-N 2.94Å; E268-C270 VanDerWaalsContact C-N 3.32Å; E268-C270 PolarHBondContact O-N 2.84Å |
| 271 | S | 98.3 | Very high | 98.1 | Very high | 31 Ų | 31 | 44.6 Ų | 44.6 | 22% | 0.217 | 25% | 0.254 | C | S | . | . | S | Bend | trans | -64.2 | 150.2 | -173.5 | 75.4 | 0 | 0 | 0 | 0 | 112.7 | A267 E268 L269 E273 W274 T275 | A267-S271 PolarHBondContact O-N 3.22Å; A267-S271 VanDerWaalsContact O-N 3.14Å; E268-S271 VanDerWaalsContact O-CB 3.29Å; E268-S271 WeakPolarHBondContact O-CB 3.35Å; E268-S271 PolarHBondContact O-N 3.08Å; E268-S271 VanDerWaalsContact O-N 3.09Å; E268-S271 PolarHBondContact O-OG 2.99Å; L269-S271 VanDerWaalsContact C-N 3.31Å; S271-E273 VanDerWaalsContact C-N 3.28Å; S271-E273 WeakPolarHBondContact CB-OE2 3.35Å; S271-E273 PolarHBondContact O-N 2.89Å; S271-W274 PolarHBondContact O-N 2.67Å; S271-W274 VanDerWaalsContact OG-CB 3.31Å; S271-W274 WeakPolarHBondContact OG-CB 3.34Å; S271-W274 PolarHBondContact OG-N 3.07Å; S271-W274 VanDerWaalsContact OG-N 3.12Å; S271-T275 PolarHBondContact O-N 3.22Å; S271-T275 PolarHBondContact O-OG1 3.24Å |
| 272 | W | 97 | Very high | 98.1 | Very high | 60 Ų | 60 | 43.3 Ų | 43.3 | 23% | 0.227 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.1 | -38.8 | 174.7 | -179.8 | 96.2 | 0 | 0 | 0 | 110.6 | W274 T275 F276 G277 N309 G310 L311 P340 | W272-W274 PolarHBondContact O-N 3.32Å; W272-T275 PolarHBondContact O-N 2.85Å; W272-F276 AromaticContact CD1-CD2 3.61Å; W272-F276 HydrophobicContact CD2-CB 4.15Å; W272-F276 HydrophobicContact CG-CB 4.32Å; W272-F276 HydrophobicContact CG-CD2 4.24Å; W272-F276 HydrophobicContact CZ2-CB 4.11Å; W272-F276 AromaticContact NE1-CD2 3.93Å; W272-F276 AromaticContact NE1-CG 3.9Å; W272-F276 CarbonylContact O-C 3.55Å; W272-F276 WeakPolarHBondContact O-CA 3.26Å; W272-F276 PolarHBondContact O-N 3.31Å; W272-G277 PolarHBondContact O-N 3.26Å; W272-N309 WeakPolarHBondContact CH2-O 3.32Å; W272-N309 WeakPolarHBondContact CZ3-O 3.36Å; W272-G310 VanDerWaalsContact CH2-O 3.32Å; W272-G310 WeakPolarHBondContact CH2-O 3.3Å; W272-G310 VanDerWaalsContact CZ2-C 3.49Å; W272-G310 WeakPolarHBondContact CZ2-O 3.16Å; W272-L311 HydrophobicContact CH2-CD2 3.49Å; W272-L311 VanDerWaalsContact CH2-CD2 3.49Å; W272-L311 HydrophobicContact CH2-CG 3.95Å; W272-L311 HydrophobicContact CZ2-CD2 4.35Å; W272-L311 HydrophobicContact CZ3-CD2 3.87Å; W272-L311 HydrophobicContact CZ3-CG 4.33Å; W272-P340 HydrophobicContact CH2-CB 4.29Å; W272-P340 HydrophobicContact CZ2-CB 3.65Å; W272-P340 HydrophobicContact CZ2-CG 4.5Å |
| 273 | E | 98.2 | Very high | 98.1 | Very high | 124 Ų | 124 | 49.1 Ų | 49.1 | 58% | 0.579 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -57.6 | -35.4 | 178.8 | -67.6 | 75.4 | -169.9 | 0 | 0 | 111.7 | S271 G277 K278 | S271-E273 VanDerWaalsContact C-N 3.28Å; S271-E273 WeakPolarHBondContact CB-OE2 3.35Å; S271-E273 PolarHBondContact O-N 2.89Å; E273-G277 CarbonylContact O-C 3.57Å; E273-G277 WeakPolarHBondContact O-CA 3.29Å; E273-G277 PolarHBondContact O-N 3.12Å; E273-K278 PolarHBondContact O-N 2.93Å; E273-K278 VanDerWaalsContact O-N 3.12Å |
| 274 | W | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 47.9 Ų | 47.9 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -80.7 | -57.9 | 174.6 | -178.3 | -103.3 | 0 | 0 | 0 | 112.3 | R101 R103 E268 L269 S271 W272 K278 | R101-W274 WeakPolarHBondContact CD-O 3.31Å; R101-W274 HydrophobicContact CG-CZ2 4.48Å; R101-W274 PolarHBondContact NE-O 3.09Å; R101-W274 PolarHBondContact O-NE1 3.5Å; R103-W274 HydrophobicContact CG-CH2 3.88Å; R103-W274 HydrophobicContact CG-CZ2 3.67Å; E268-W274 WeakPolarHBondContact O-CB 3.37Å; L269-W274 HydrophobicContact CD2-CZ2 4.36Å; L269-W274 VanDerWaalsContact CD2-NE1 3.31Å; S271-W274 PolarHBondContact O-N 2.67Å; S271-W274 VanDerWaalsContact OG-CB 3.31Å; S271-W274 WeakPolarHBondContact OG-CB 3.34Å; S271-W274 PolarHBondContact OG-N 3.07Å; S271-W274 VanDerWaalsContact OG-N 3.12Å; W272-W274 PolarHBondContact O-N 3.32Å; W274-K278 HydrophobicContact CD2-CG 4.28Å; W274-K278 HydrophobicContact CE3-CD 4.39Å; W274-K278 HydrophobicContact CE3-CG 3.79Å; W274-K278 HydrophobicContact CZ3-CG 4.15Å; W274-K278 WeakPolarHBondContact O-CB 3.19Å; W274-K278 WeakPolarHBondContact O-CG 3.45Å |
| 275 | T | 97.7 | Very high | 97.9 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.025 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -46.6 | -170.8 | -65.7 | 0 | 0 | 0 | 0 | 111.7 | V99 R101 L269 S271 W272 | V99-T275 HydrophobicContact CB-CG2 4.09Å; V99-T275 HydrophobicContact CG1-CG2 4.03Å; V99-T275 WeakPolarHBondContact O-CG2 3.36Å; R101-T275 VanDerWaalsContact CZ-O 3.3Å; R101-T275 PolarHBondContact NE-O 3.39Å; R101-T275 PolarHBondContact NH2-O 2.99Å; L269-T275 PolarHBondContact O-OG1 2.82Å; L269-T275 VanDerWaalsContact O-OG1 3.11Å; S271-T275 PolarHBondContact O-N 3.22Å; S271-T275 PolarHBondContact O-OG1 3.24Å; W272-T275 PolarHBondContact O-N 2.85Å |
| 276 | F | 97.6 | Very high | 97.6 | Very high | 44 Ų | 44 | 46.6 Ų | 46.6 | 19% | 0.193 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.5 | -38.4 | -177 | -62.4 | -81.4 | 0 | 0 | 0 | 112.1 | P83 W84 L89 V99 W272 K278 T279 | P83-F276 HydrophobicContact CB-CD1 4.34Å; P83-F276 HydrophobicContact CB-CE1 4.11Å; P83-F276 HydrophobicContact CG-CD1 3.62Å; P83-F276 HydrophobicContact CG-CE1 3.91Å; W84-F276 HydrophobicContact CH2-CB 3.87Å; W84-F276 AromaticContact CH2-CD1 3.86Å; W84-F276 HydrophobicContact CH2-CD1 3.86Å; W84-F276 HydrophobicContact CH2-CG 4.33Å; W84-F276 HydrophobicContact CZ2-CB 4.28Å; W84-F276 AromaticContact CZ2-CD1 3.66Å; W84-F276 HydrophobicContact CZ2-CD1 3.66Å; W84-F276 HydrophobicContact CZ2-CE1 4.5Å; W84-F276 HydrophobicContact CZ2-CG 4.33Å; L89-F276 HydrophobicContact CD1-CE1 3.96Å; L89-F276 HydrophobicContact CD2-CE1 4.22Å; V99-F276 HydrophobicContact CB-CZ 4.4Å; V99-F276 HydrophobicContact CG2-CZ 4.32Å; W272-F276 AromaticContact CD1-CD2 3.61Å; W272-F276 HydrophobicContact CD2-CB 4.15Å; W272-F276 HydrophobicContact CG-CB 4.32Å; W272-F276 HydrophobicContact CG-CD2 4.24Å; W272-F276 HydrophobicContact CZ2-CB 4.11Å; W272-F276 AromaticContact NE1-CD2 3.93Å; W272-F276 AromaticContact NE1-CG 3.9Å; W272-F276 CarbonylContact O-C 3.55Å; W272-F276 WeakPolarHBondContact O-CA 3.26Å; W272-F276 PolarHBondContact O-N 3.31Å; F276-K278 VanDerWaalsContact C-N 3.25Å; F276-K278 PolarHBondContact O-N 3.35Å; F276-T279 WeakPolarHBondContact O-CB 3.24Å; F276-T279 PolarHBondContact O-N 3.49Å; F276-T279 PolarHBondContact O-OG1 3.27Å |
| 277 | G | 97.9 | Very high | 97.4 | Very high | 7 Ų | 7 | 50.7 Ų | 50.7 | 7% | 0.072 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -18 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | W272 E273 T279 N309 | W272-G277 PolarHBondContact O-N 3.26Å; E273-G277 CarbonylContact O-C 3.57Å; E273-G277 WeakPolarHBondContact O-CA 3.29Å; E273-G277 PolarHBondContact O-N 3.12Å; G277-T279 VanDerWaalsContact C-N 3.3Å; G277-N309 VanDerWaalsContact CA-O 3.3Å; G277-N309 WeakPolarHBondContact CA-O 3.17Å; G277-N309 CarbonylContact O-C 3.59Å; G277-N309 WeakPolarHBondContact O-CA 3.45Å |
| 278 | K | 98.3 | Very high | 97 | Very high | 93 Ų | 93 | 48.3 Ų | 48.3 | 40% | 0.404 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 2.2 | 171.5 | -63.4 | -55.4 | -177.7 | -168.5 | 0 | 114.5 | E273 W274 F276 | E273-K278 PolarHBondContact O-N 2.93Å; E273-K278 VanDerWaalsContact O-N 3.12Å; W274-K278 HydrophobicContact CD2-CG 4.28Å; W274-K278 HydrophobicContact CE3-CD 4.39Å; W274-K278 HydrophobicContact CE3-CG 3.79Å; W274-K278 HydrophobicContact CZ3-CG 4.15Å; W274-K278 WeakPolarHBondContact O-CB 3.19Å; W274-K278 WeakPolarHBondContact O-CG 3.45Å; F276-K278 VanDerWaalsContact C-N 3.25Å; F276-K278 PolarHBondContact O-N 3.35Å |
| 279 | T | 98.2 | Very high | 96.6 | Very high | 4 Ų | 4 | 51.4 Ų | 51.4 | 3% | 0.025 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -63.7 | 128.8 | 177.3 | -57.1 | 0 | 0 | 0 | 0 | 110.3 | N82 P83 W84 R101 F276 G277 F282 | N82-T279 HydrophobicContact CB-CG2 3.78Å; P83-T279 VanDerWaalsContact CD-OG1 3.26Å; P83-T279 WeakPolarHBondContact CD-OG1 3.42Å; W84-T279 HydrophobicContact CE3-CG2 4.22Å; W84-T279 HydrophobicContact CZ3-CG2 3.85Å; R101-T279 PolarHBondContact NH2-OG1 3.18Å; F276-T279 WeakPolarHBondContact O-CB 3.24Å; F276-T279 PolarHBondContact O-N 3.49Å; F276-T279 PolarHBondContact O-OG1 3.27Å; G277-T279 VanDerWaalsContact C-N 3.3Å; T279-F282 HydrophobicContact CG2-CD1 3.97Å; T279-F282 HydrophobicContact CG2-CE1 3.99Å |
| 280 | P | 98.1 | Very high | 96.1 | Very high | 39 Ų | 39 | 51.6 Ų | 51.6 | 25% | 0.253 | 25% | 0.247 | S | C | . | . | P | Polyproline II helix | trans | -55 | 147.7 | 171.9 | -26 | 35.9 | 0 | 0 | 0 | 111.5 | H80 A207 F282 | H80-P280 WeakPolarHBondContact O-CG 3.31Å; A207-P280 HydrophobicContact CB-CB 4.27Å; A207-P280 HydrophobicContact CB-CG 3.95Å; P280-F282 PolarHBondContact O-N 3.4Å |
| 281 | K | 98.2 | Very high | 95.5 | Very high | 96 Ų | 96 | 57.5 Ų | 57.5 | 42% | 0.417 | 26% | 0.261 | S | S | . | . | P | Polyproline II helix | trans | -49.4 | 135.3 | 178.4 | 179.1 | 170.5 | 174.1 | 144.9 | 0 | 111.3 | E306 V307 E313 | K281-E306 VanDerWaalsContact CE-CG 3.5Å; K281-E306 VanDerWaalsContact CE-OE1 3.25Å; K281-E306 WeakPolarHBondContact CE-OE1 3.17Å; K281-E306 WeakPolarHBondContact CE-OE2 3.25Å; K281-E306 HydrophobicContact CG-CG 4.45Å; K281-E306 IonicContact NZ-OE1 3.12Å; K281-E306 PolarHBondContact NZ-OE1 3.09Å; K281-E306 IonicContact NZ-OE2 3.07Å; K281-E306 PolarHBondContact NZ-OE2 3.39Å; K281-V307 WeakPolarHBondContact CA-O 3.48Å; K281-E313 IonicContact NZ-OE2 3.76Å; K281-E313 PolarHBondContact NZ-OE2 3.33Å |
| 282 | F | 97.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 58.4 Ų | 58.4 | 2% | 0.022 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 164.6 | 179.2 | 70 | -84.1 | 0 | 0 | 0 | 111.5 | N82 W84 I203 R204 T279 P280 V284 V307 F341 | N82-F282 WeakPolarHBondContact ND2-CD1 3.32Å; N82-F282 VanDerWaalsContact ND2-CG 3.35Å; N82-F282 WeakPolarHBondContact ND2-CG 3.49Å; W84-F282 HydrophobicContact CD2-CZ 4.06Å; W84-F282 AromaticContact CE3-CE1 3.63Å; W84-F282 HydrophobicContact CE3-CE1 3.63Å; W84-F282 AromaticContact CE3-CZ 3.51Å; W84-F282 HydrophobicContact CE3-CZ 3.51Å; W84-F282 HydrophobicContact CH2-CE1 4.48Å; W84-F282 AromaticContact CZ3-CE1 3.57Å; W84-F282 HydrophobicContact CZ3-CE1 3.57Å; W84-F282 AromaticContact CZ3-CZ 3.79Å; W84-F282 HydrophobicContact CZ3-CZ 3.79Å; I203-F282 HydrophobicContact CG1-CD2 4.46Å; I203-F282 HydrophobicContact CG2-CB 4.48Å; I203-F282 HydrophobicContact CG2-CD2 4.03Å; R204-F282 WeakPolarHBondContact O-CA 3.43Å; R204-F282 WeakPolarHBondContact O-CB 3.48Å; T279-F282 HydrophobicContact CG2-CD1 3.97Å; T279-F282 HydrophobicContact CG2-CE1 3.99Å; P280-F282 PolarHBondContact O-N 3.4Å; F282-V284 HydrophobicContact CD2-CG2 3.97Å; F282-V284 HydrophobicContact CE2-CG2 3.61Å; F282-V307 HydrophobicContact CD1-CB 3.94Å; F282-V307 HydrophobicContact CD1-CG1 4.23Å; F282-V307 HydrophobicContact CD2-CB 4.44Å; F282-V307 HydrophobicContact CE1-CB 3.48Å; F282-V307 VanDerWaalsContact CE1-CB 3.48Å; F282-V307 HydrophobicContact CE1-CG1 3.43Å; F282-V307 VanDerWaalsContact CE1-CG1 3.43Å; F282-V307 HydrophobicContact CE1-CG2 4.24Å; F282-V307 HydrophobicContact CE2-CB 4.03Å; F282-V307 HydrophobicContact CE2-CG2 3.99Å; F282-V307 HydrophobicContact CG-CB 4.41Å; F282-V307 HydrophobicContact CZ-CB 3.53Å; F282-V307 HydrophobicContact CZ-CG1 3.66Å; F282-V307 HydrophobicContact CZ-CG2 3.76Å; F282-V307 PolarHBondContact N-O 3.42Å; F282-V307 VanDerWaalsContact N-O 3.08Å; F282-V307 PolarHBondContact O-N 3.3Å; F282-F341 HydrophobicContact CE2-CD1 4.34Å; F282-F341 HydrophobicContact CE2-CE1 4.07Å; F282-F341 AromaticContact CZ-CD1 3.79Å; F282-F341 HydrophobicContact CZ-CD1 3.79Å; F282-F341 AromaticContact CZ-CE1 3.95Å; F282-F341 HydrophobicContact CZ-CE1 3.95Å |
| 283 | R | 97.6 | Very high | 92.8 | Very high | 124 Ų | 124 | 63.5 Ų | 63.5 | 47% | 0.468 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 149.4 | 174.2 | -66 | 177.5 | -179.9 | -126 | -4.7 | 110.2 | I203 R204 L305 E306 | I203-R283 CarbonylContact C-O 3.53Å; I203-R283 WeakPolarHBondContact CA-O 3.46Å; R204-R283 HydrophobicContact CB-CB 4.45Å; R204-R283 PolarHBondContact N-O 2.94Å; R204-R283 PolarHBondContact O-N 3.4Å; R283-L305 CarbonylContact C-O 3.57Å; R283-L305 WeakPolarHBondContact CA-O 3.19Å; R283-E306 HydrophobicContact CG-CB 4.46Å; R283-E306 HydrophobicContact CG-CG 4.21Å; R283-E306 IonicContact CZ-OE2 3.12Å; R283-E306 IonicContact NE-OE2 3.83Å; R283-E306 PolarHBondContact NE-OE2 2.91Å; R283-E306 IonicContact NH2-OE2 2.81Å; R283-E306 PolarHBondContact NH2-OE2 3.42Å |
| 284 | V | 96.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 64.8 Ų | 64.8 | 1% | 0.006 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 122.1 | 169.3 | -173.9 | 0 | 0 | 0 | 0 | 107.1 | I203 F282 T286 Q304 L305 F341 | I203-V284 HydrophobicContact CG1-CG2 4.25Å; F282-V284 HydrophobicContact CD2-CG2 3.97Å; F282-V284 HydrophobicContact CE2-CG2 3.61Å; V284-T286 HydrophobicContact CG1-CG2 4.38Å; V284-Q304 WeakPolarHBondContact O-CA 3.47Å; V284-L305 HydrophobicContact CB-CB 4.16Å; V284-L305 PolarHBondContact N-O 2.96Å; V284-L305 PolarHBondContact O-N 3.33Å; V284-F341 HydrophobicContact CG2-CE1 4.48Å; V284-F341 HydrophobicContact CG2-CE2 4.29Å; V284-F341 HydrophobicContact CG2-CZ 3.83Å |
| 285 | E | 95.4 | Very high | 89 | Confident | 64 Ų | 64 | 70.7 Ų | 70.7 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 107 | 176.5 | -68.5 | 171.1 | -164.7 | 0 | 0 | 107.9 | G202 R204 L303 Q304 | G202-E285 WeakPolarHBondContact CA-O 3.38Å; G202-E285 PolarHBondContact O-N 3.15Å; R204-E285 IonicContact CZ-OE2 3.62Å; R204-E285 IonicContact NE-OE1 2.78Å; R204-E285 IonicContact NE-OE2 2.65Å; R204-E285 PolarHBondContact NE-OE2 2.95Å; R204-E285 IonicContact NH2-OE2 3.46Å; R204-E285 PolarHBondContact NH2-OE2 2.89Å; E285-L303 WeakPolarHBondContact CA-O 3.25Å; E285-Q304 HydrophobicContact CG-CG 4.41Å |
| 286 | T | 93.6 | Very high | 86.9 | Confident | 30 Ų | 30 | 76.9 Ų | 76.9 | 18% | 0.184 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 150.9 | -176.5 | -168 | 0 | 0 | 0 | 0 | 111.6 | V284 L288 L303 | V284-T286 HydrophobicContact CG1-CG2 4.38Å; T286-L288 HydrophobicContact CG2-CD2 3.86Å; T286-L303 HydrophobicContact CG2-CB 4.14Å; T286-L303 HydrophobicContact CG2-CD2 4.13Å; T286-L303 PolarHBondContact N-O 3.07Å; T286-L303 VanDerWaalsContact N-O 3.08Å; T286-L303 PolarHBondContact O-N 3.29Å |
| 287 | Q | 92.9 | Very high | 85.1 | Confident | 130 Ų | 130 | 78.1 Ų | 78.1 | 61% | 0.607 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 137 | 168 | -69.3 | -172.8 | -20 | 0 | 0 | 109.3 | A301 E302 | Q287-A301 CarbonylContact C-O 3.57Å; Q287-A301 WeakPolarHBondContact CA-O 3.4Å; Q287-E302 HydrophobicContact CG-CG 4.47Å |
| 288 | L | 91.2 | Very high | 83.6 | Confident | 12 Ų | 12 | 89.3 Ų | 89.3 | 6% | 0.063 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.1 | 178.2 | -55.1 | 177.8 | 0 | 0 | 0 | 108.6 | T286 L290 S300 A301 L303 V371 L372 A375 | T286-L288 HydrophobicContact CG2-CD2 3.86Å; L288-L290 PolarHBondContact O-N 2.9Å; L288-S300 CarbonylContact O-C 3.48Å; L288-S300 VanDerWaalsContact O-CA 3.27Å; L288-S300 WeakPolarHBondContact O-CA 3.35Å; L288-A301 HydrophobicContact CB-CB 4.27Å; L288-A301 PolarHBondContact N-O 3.2Å; L288-A301 PolarHBondContact O-N 3.37Å; L288-L303 HydrophobicContact CD1-CB 3.88Å; L288-L303 HydrophobicContact CD1-CD2 4.25Å; L288-L303 HydrophobicContact CD2-CB 4.5Å; L288-L303 HydrophobicContact CD2-CD2 4.36Å; L288-L303 HydrophobicContact CG-CB 4.08Å; L288-V371 HydrophobicContact CB-CB 4.4Å; L288-V371 HydrophobicContact CB-CG2 4.07Å; L288-V371 HydrophobicContact CD1-CG2 4.03Å; L288-L372 HydrophobicContact CD1-CD2 3.75Å; L288-L372 HydrophobicContact CD1-CG 4.3Å; L288-A375 HydrophobicContact CD2-CB 3.88Å |
| 289 | E | 90.1 | Very high | 82.9 | Confident | 142 Ų | 142 | 86.2 Ų | 86.2 | 66% | 0.664 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 117.6 | 174.9 | -65.8 | -169.1 | 165.7 | 0 | 0 | 110.5 | ||
| 290 | L | 88.4 | Confident | 82.5 | Confident | 5 Ų | 5 | 88.9 Ų | 88.9 | 3% | 0.026 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 141.3 | 177 | -53.8 | 177.2 | 0 | 0 | 0 | 110.5 | L288 C299 A301 V319 W323 N367 L368 V371 | L288-L290 PolarHBondContact O-N 2.9Å; L290-C299 WeakPolarHBondContact CA-O 3.4Å; L290-C299 HydrophobicContact CB-CB 4.13Å; L290-C299 WeakPolarHBondContact CB-O 3.31Å; L290-C299 HydrophobicContact CD1-CB 4.35Å; L290-C299 PolarHBondContact N-O 2.99Å; L290-A301 HydrophobicContact CD1-CB 3.96Å; L290-A301 HydrophobicContact CD2-CB 4.1Å; L290-A301 HydrophobicContact CG-CB 4.19Å; L290-V319 HydrophobicContact CD1-CG1 3.93Å; L290-W323 HydrophobicContact CB-CH2 4.26Å; L290-W323 HydrophobicContact CB-CZ2 3.86Å; L290-W323 HydrophobicContact CD1-CD2 3.9Å; L290-W323 HydrophobicContact CD1-CE3 3.81Å; L290-W323 HydrophobicContact CD1-CH2 4.14Å; L290-W323 HydrophobicContact CD1-CZ2 4.25Å; L290-W323 HydrophobicContact CD1-CZ3 3.94Å; L290-W323 HydrophobicContact CD2-CH2 4.07Å; L290-W323 HydrophobicContact CD2-CZ3 4.37Å; L290-W323 HydrophobicContact CG-CH2 4.4Å; L290-W323 HydrophobicContact CG-CZ2 4.45Å; L290-N367 WeakPolarHBondContact CA-OD1 3.42Å; L290-L368 HydrophobicContact CD2-CD1 3.91Å; L290-V371 HydrophobicContact CD2-CG2 4.1Å |
| 291 | R | 83.8 | Confident | 82.2 | Confident | 186 Ų | 186 | 87 Ų | 87 | 70% | 0.702 | 43% | 0.427 | S | S | * | . | trans | -113.6 | 137.1 | 175.2 | -60.7 | -177.1 | -177.5 | -174 | 0.9 | 109.5 | N367 | R291-N367 PolarHBondContact N-OD1 3.45Å; R291-N367 PolarHBondContact O-OD1 2.78Å | ||
| 292 | D | 73.9 | Confident | 82.1 | Confident | 49 Ų | 49 | 86.3 Ų | 86.3 | 26% | 0.262 | 43% | 0.425 | S | S | . | . | trans | -106.3 | 159.1 | 169.9 | -154.7 | -7 | 0 | 0 | 0 | 110 | Q294 R364 | D292-Q294 PolarHBondContact O-N 2.89Å; D292-R364 IonicContact OD1-CZ 3.06Å; D292-R364 IonicContact OD1-NE 2.72Å; D292-R364 PolarHBondContact OD1-NE 3.3Å; D292-R364 IonicContact OD1-NH2 3.17Å; D292-R364 IonicContact OD2-CZ 2.72Å; D292-R364 VanDerWaalsContact OD2-CZ 3.3Å; D292-R364 IonicContact OD2-NE 2.83Å; D292-R364 PolarHBondContact OD2-NE 3.31Å; D292-R364 IonicContact OD2-NH2 3.75Å; D292-R364 PolarHBondContact OD2-NH2 2.98Å | ||
| 293 | E | 66.1 | Low | 81.9 | Confident | 168 Ų | 168 | 86.1 Ų | 86.1 | 79% | 0.785 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -67.9 | -18.7 | 173.9 | -66.1 | -177.3 | 175.4 | 0 | 0 | 111.5 | ||
| 294 | Q | 61 | Low | 81.9 | Confident | 151 Ų | 151 | 83.7 Ų | 83.7 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -95.6 | 133.3 | 172.5 | -64.9 | -158.1 | -9.2 | 0 | 0 | 112.3 | D292 V296 | D292-Q294 PolarHBondContact O-N 2.89Å; Q294-V296 VanDerWaalsContact C-N 3.27Å; Q294-V296 PolarHBondContact O-N 3.47Å |
| 295 | P | 55.7 | Low | 81.9 | Confident | 130 Ų | 130 | 83.9 Ų | 83.9 | 84% | 0.844 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.6 | 1 | -164.4 | 25.1 | -32.9 | 0 | 0 | 0 | 116.8 | ||
| 296 | V | 53.5 | Low | 82 | Confident | 134 Ų | 134 | 81.6 Ų | 81.6 | 81% | 0.812 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106 | -13 | -157.7 | -169.6 | 0 | 0 | 0 | 0 | 115.3 | Q294 | Q294-V296 VanDerWaalsContact C-N 3.27Å; Q294-V296 PolarHBondContact O-N 3.47Å |
| 297 | A | 58.3 | Low | 82.2 | Confident | 70 Ų | 70 | 80.2 Ų | 80.2 | 58% | 0.579 | 40% | 0.4 | S | S | * | . | trans | -133.4 | 106.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | C299 | A297-C299 PolarHBondContact O-N 3.43Š| ||
| 298 | R | 67.1 | Low | 82.4 | Confident | 242 Ų | 242 | 78.2 Ų | 78.2 | 91% | 0.913 | 39% | 0.39 | S | S | * | . | trans | -66.5 | 121.2 | 160.8 | -71.5 | -176.4 | -179.1 | 177.8 | -0.3 | 107.5 | ||||
| 299 | C | 84.4 | Confident | 82.7 | Confident | 29 Ų | 29 | 82.5 Ų | 82.5 | 20% | 0.196 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 154.1 | 177.6 | -173.4 | 0 | 0 | 0 | 0 | 108.2 | L290 A297 P320 | L290-C299 WeakPolarHBondContact CA-O 3.4Å; L290-C299 HydrophobicContact CB-CB 4.13Å; L290-C299 WeakPolarHBondContact CB-O 3.31Å; L290-C299 HydrophobicContact CD1-CB 4.35Å; L290-C299 PolarHBondContact N-O 2.99Å; A297-C299 PolarHBondContact O-N 3.43Å; C299-P320 VanDerWaalsContact SG-CG 3.56Å |
| 300 | S | 89.9 | Confident | 83 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 41% | 0.413 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143.4 | 176.4 | 56.4 | 0 | 0 | 0 | 0 | 110.6 | L288 P320 | L288-S300 CarbonylContact O-C 3.48Å; L288-S300 VanDerWaalsContact O-CA 3.27Å; L288-S300 WeakPolarHBondContact O-CA 3.35Å; S300-P320 WeakPolarHBondContact O-CD 3.46Å |
| 301 | A | 92 | Very high | 83.5 | Confident | 0 Ų | 0 | 78.5 Ų | 78.5 | 0% | 0 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 152.3 | 164 | 0 | 0 | 0 | 0 | 0 | 110.2 | Q287 L288 L290 E318 V319 L368 | Q287-A301 CarbonylContact C-O 3.57Å; Q287-A301 WeakPolarHBondContact CA-O 3.4Å; L288-A301 HydrophobicContact CB-CB 4.27Å; L288-A301 PolarHBondContact N-O 3.2Å; L288-A301 PolarHBondContact O-N 3.37Å; L290-A301 HydrophobicContact CD1-CB 3.96Å; L290-A301 HydrophobicContact CD2-CB 4.1Å; L290-A301 HydrophobicContact CG-CB 4.19Å; A301-E318 CarbonylContact C-O 3.51Å; A301-E318 WeakPolarHBondContact CA-O 3.49Å; A301-E318 VanDerWaalsContact CB-O 3.31Å; A301-E318 WeakPolarHBondContact CB-O 3.27Å; A301-V319 HydrophobicContact CB-CG2 3.97Å; A301-L368 HydrophobicContact CB-CD1 4.46Å |
| 302 | E | 94.4 | Very high | 84.2 | Confident | 81 Ų | 81 | 69.8 Ų | 69.8 | 38% | 0.379 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 128.1 | 168.6 | -58.8 | -164.1 | 167.1 | 0 | 0 | 109.9 | Q287 V317 E318 | Q287-E302 HydrophobicContact CG-CG 4.47Å; E302-V317 WeakPolarHBondContact O-CA 3.49Å; E302-E318 HydrophobicContact CB-CB 4.31Å; E302-E318 PolarHBondContact N-O 3.31Å; E302-E318 PolarHBondContact O-N 3.46Å |
| 303 | L | 94.9 | Very high | 85.3 | Confident | 2 Ų | 2 | 71 Ų | 71 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 123.8 | 176.2 | 176.5 | 63.8 | 0 | 0 | 0 | 109.3 | E285 T286 L288 L305 V317 L372 A375 | E285-L303 WeakPolarHBondContact CA-O 3.25Å; T286-L303 HydrophobicContact CG2-CB 4.14Å; T286-L303 HydrophobicContact CG2-CD2 4.13Å; T286-L303 PolarHBondContact N-O 3.07Å; T286-L303 VanDerWaalsContact N-O 3.08Å; T286-L303 PolarHBondContact O-N 3.29Å; L288-L303 HydrophobicContact CD1-CB 3.88Å; L288-L303 HydrophobicContact CD1-CD2 4.25Å; L288-L303 HydrophobicContact CD2-CB 4.5Å; L288-L303 HydrophobicContact CD2-CD2 4.36Å; L288-L303 HydrophobicContact CG-CB 4.08Å; L303-L305 HydrophobicContact CD1-CD1 4.07Å; L303-L305 HydrophobicContact CD1-CD2 3.83Å; L303-L305 HydrophobicContact CD1-CG 3.69Å; L303-L305 HydrophobicContact CD2-CD1 3.87Å; L303-L305 HydrophobicContact CD2-CG 4.26Å; L303-L305 HydrophobicContact CG-CD1 4.1Å; L303-L305 HydrophobicContact CG-CG 3.91Å; L303-V317 HydrophobicContact CD1-CG2 3.93Å; L303-L372 HydrophobicContact CD1-CD2 3.68Å; L303-L372 HydrophobicContact CD2-CD2 4.16Å; L303-L372 HydrophobicContact CG-CD2 4.44Å; L303-A375 HydrophobicContact CD2-CB 3.74Å |
| 304 | Q | 96.6 | Very high | 86.8 | Confident | 73 Ų | 73 | 65.9 Ų | 65.9 | 34% | 0.341 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 116.7 | 170.4 | -59.2 | 178.2 | 7.7 | 0 | 0 | 109.2 | V284 E285 R316 | V284-Q304 WeakPolarHBondContact O-CA 3.47Å; E285-Q304 HydrophobicContact CG-CG 4.41Å; Q304-R316 HydrophobicContact CB-CB 4.34Å; Q304-R316 PolarHBondContact N-O 3.45Å; Q304-R316 PolarHBondContact O-N 3.22Å |
| 305 | L | 96 | Very high | 88.6 | Confident | 5 Ų | 5 | 59.5 Ų | 59.5 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 145.5 | 177.5 | -60.8 | 172.8 | 0 | 0 | 0 | 110.2 | R283 V284 L303 V312 T314 C315 F341 M376 | R283-L305 CarbonylContact C-O 3.57Å; R283-L305 WeakPolarHBondContact CA-O 3.19Å; V284-L305 HydrophobicContact CB-CB 4.16Å; V284-L305 PolarHBondContact N-O 2.96Å; V284-L305 PolarHBondContact O-N 3.33Å; L303-L305 HydrophobicContact CD1-CD1 4.07Å; L303-L305 HydrophobicContact CD1-CD2 3.83Å; L303-L305 HydrophobicContact CD1-CG 3.69Å; L303-L305 HydrophobicContact CD2-CD1 3.87Å; L303-L305 HydrophobicContact CD2-CG 4.26Å; L303-L305 HydrophobicContact CG-CD1 4.1Å; L303-L305 HydrophobicContact CG-CG 3.91Å; L305-V312 HydrophobicContact CD2-CG1 4.2Å; L305-T314 WeakPolarHBondContact CA-O 3.41Å; L305-C315 HydrophobicContact CD2-CB 3.53Å; L305-C315 WeakPolarHBondContact CD2-SG 3.36Å; L305-F341 HydrophobicContact CD1-CD2 4.16Å; L305-F341 HydrophobicContact CD1-CE2 3.52Å; L305-M376 HydrophobicContact CD1-CG 4.41Å |
| 306 | E | 98 | Very high | 90.5 | Very high | 16 Ų | 16 | 61 Ų | 61 | 8% | 0.075 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 127.4 | 162.9 | -168.4 | 167.8 | 76.5 | 0 | 0 | 109 | K281 R283 E313 T314 | K281-E306 VanDerWaalsContact CE-CG 3.5Å; K281-E306 VanDerWaalsContact CE-OE1 3.25Å; K281-E306 WeakPolarHBondContact CE-OE1 3.17Å; K281-E306 WeakPolarHBondContact CE-OE2 3.25Å; K281-E306 HydrophobicContact CG-CG 4.45Å; K281-E306 IonicContact NZ-OE1 3.12Å; K281-E306 PolarHBondContact NZ-OE1 3.09Å; K281-E306 IonicContact NZ-OE2 3.07Å; K281-E306 PolarHBondContact NZ-OE2 3.39Å; R283-E306 HydrophobicContact CG-CB 4.46Å; R283-E306 HydrophobicContact CG-CG 4.21Å; R283-E306 IonicContact CZ-OE2 3.12Å; R283-E306 IonicContact NE-OE2 3.83Å; R283-E306 PolarHBondContact NE-OE2 2.91Å; R283-E306 IonicContact NH2-OE2 2.81Å; R283-E306 PolarHBondContact NH2-OE2 3.42Å; E306-E313 PolarHBondContact O-N 3.2Å; E306-T314 WeakPolarHBondContact CB-OG1 3.36Å; E306-T314 PolarHBondContact N-O 3.49Å; E306-T314 PolarHBondContact O-N 3.13Å |
| 307 | V | 97.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 129.3 | -177.3 | -178.8 | 0 | 0 | 0 | 0 | 109 | K281 F282 G310 L311 F341 | K281-V307 WeakPolarHBondContact CA-O 3.48Å; F282-V307 HydrophobicContact CD1-CB 3.94Å; F282-V307 HydrophobicContact CD1-CG1 4.23Å; F282-V307 HydrophobicContact CD2-CB 4.44Å; F282-V307 HydrophobicContact CE1-CB 3.48Å; F282-V307 VanDerWaalsContact CE1-CB 3.48Å; F282-V307 HydrophobicContact CE1-CG1 3.43Å; F282-V307 VanDerWaalsContact CE1-CG1 3.43Å; F282-V307 HydrophobicContact CE1-CG2 4.24Å; F282-V307 HydrophobicContact CE2-CB 4.03Å; F282-V307 HydrophobicContact CE2-CG2 3.99Å; F282-V307 HydrophobicContact CG-CB 4.41Å; F282-V307 HydrophobicContact CZ-CB 3.53Å; F282-V307 HydrophobicContact CZ-CG1 3.66Å; F282-V307 HydrophobicContact CZ-CG2 3.76Å; F282-V307 PolarHBondContact N-O 3.42Å; F282-V307 VanDerWaalsContact N-O 3.08Å; F282-V307 PolarHBondContact O-N 3.3Å; V307-G310 VanDerWaalsContact CG1-C 3.48Å; V307-L311 CarbonylContact C-O 3.5Å; V307-L311 VanDerWaalsContact CA-O 3.3Å; V307-L311 WeakPolarHBondContact CA-O 3.49Å; V307-L311 WeakPolarHBondContact CG1-O 3.14Å; V307-F341 HydrophobicContact CG1-CB 3.87Å; V307-F341 HydrophobicContact CG1-CG 4.31Å; V307-F341 HydrophobicContact CG2-CB 3.99Å; V307-F341 HydrophobicContact CG2-CD1 4.26Å; V307-F341 HydrophobicContact CG2-CD2 3.68Å; V307-F341 HydrophobicContact CG2-CE2 4.25Å; V307-F341 HydrophobicContact CG2-CG 3.71Å |
| 308 | K | 98.1 | Very high | 94.1 | Very high | 89 Ų | 89 | 56.8 Ų | 56.8 | 39% | 0.387 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 133.6 | 179.5 | -177.3 | -176.3 | 176.9 | -173.2 | 0 | 109.7 | G310 L311 E313 | K308-G310 PolarHBondContact O-N 3.48Å; K308-L311 PolarHBondContact N-O 2.98Å; K308-L311 PolarHBondContact O-N 2.76Å; K308-E313 HydrophobicContact CB-CB 4.22Å; K308-E313 VanDerWaalsContact CD-CD 3.46Å; K308-E313 WeakPolarHBondContact CD-OE1 3.12Å; K308-E313 VanDerWaalsContact CD-OE2 3.31Å; K308-E313 WeakPolarHBondContact CD-OE2 3.47Å; K308-E313 IonicContact NZ-OE1 2.68Å; K308-E313 PolarHBondContact NZ-OE1 3.04Å |
| 309 | N | 97.1 | Very high | 95.3 | Very high | 101 Ų | 101 | 46.2 Ų | 46.2 | 54% | 0.54 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.4 | 34.3 | -171.5 | -54 | -33.5 | 0 | 0 | 0 | 112.4 | W272 G277 L311 | W272-N309 WeakPolarHBondContact CH2-O 3.32Å; W272-N309 WeakPolarHBondContact CZ3-O 3.36Å; G277-N309 VanDerWaalsContact CA-O 3.3Å; G277-N309 WeakPolarHBondContact CA-O 3.17Å; G277-N309 CarbonylContact O-C 3.59Å; G277-N309 WeakPolarHBondContact O-CA 3.45Å; N309-L311 PolarHBondContact O-N 3.21Å |
| 310 | G | 96.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 71 | -4.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | W272 V307 K308 F341 | W272-G310 VanDerWaalsContact CH2-O 3.32Å; W272-G310 WeakPolarHBondContact CH2-O 3.3Å; W272-G310 VanDerWaalsContact CZ2-C 3.49Å; W272-G310 WeakPolarHBondContact CZ2-O 3.16Å; V307-G310 VanDerWaalsContact CG1-C 3.48Å; K308-G310 PolarHBondContact O-N 3.48Å; G310-F341 WeakPolarHBondContact O-CB 3.38Å; G310-F341 PolarHBondContact O-N 3.36Å |
| 311 | L | 98 | Very high | 95.5 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 34% | 0.335 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 147.1 | -179.6 | -55.5 | 176.4 | 0 | 0 | 0 | 110.1 | W272 V307 K308 N309 E313 E339 P340 | W272-L311 HydrophobicContact CH2-CD2 3.49Å; W272-L311 VanDerWaalsContact CH2-CD2 3.49Å; W272-L311 HydrophobicContact CH2-CG 3.95Å; W272-L311 HydrophobicContact CZ2-CD2 4.35Å; W272-L311 HydrophobicContact CZ3-CD2 3.87Å; W272-L311 HydrophobicContact CZ3-CG 4.33Å; V307-L311 CarbonylContact C-O 3.5Å; V307-L311 VanDerWaalsContact CA-O 3.3Å; V307-L311 WeakPolarHBondContact CA-O 3.49Å; V307-L311 WeakPolarHBondContact CG1-O 3.14Å; K308-L311 PolarHBondContact N-O 2.98Å; K308-L311 PolarHBondContact O-N 2.76Å; N309-L311 PolarHBondContact O-N 3.21Å; L311-E313 PolarHBondContact O-N 2.68Å; L311-E339 WeakPolarHBondContact CA-O 3.46Å; L311-P340 HydrophobicContact CD2-CB 4.34Å; L311-P340 HydrophobicContact CD2-CG 4Å |
| 312 | V | 97.9 | Very high | 95.2 | Very high | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.012 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 109.9 | 173.9 | -179.8 | 0 | 0 | 0 | 0 | 109 | L305 C315 L336 L337 G338 E339 F341 M376 | L305-V312 HydrophobicContact CD2-CG1 4.2Å; V312-C315 HydrophobicContact CG1-CB 4Å; V312-L336 VanDerWaalsContact CB-O 3.29Å; V312-L336 WeakPolarHBondContact CB-O 3.37Å; V312-L337 HydrophobicContact CG1-CD2 4.27Å; V312-G338 PolarHBondContact O-N 3.5Å; V312-E339 PolarHBondContact N-O 3.44Å; V312-F341 HydrophobicContact CG2-CB 4.31Å; V312-F341 HydrophobicContact CG2-CD2 4.18Å; V312-M376 HydrophobicContact CG2-CE 3.77Å |
| 313 | E | 98 | Very high | 94.9 | Very high | 74 Ų | 74 | 50.4 Ų | 50.4 | 35% | 0.346 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | -39.9 | 179.2 | -174.2 | 171.1 | -135.7 | 0 | 0 | 110.8 | K281 E306 K308 L311 | K281-E313 IonicContact NZ-OE2 3.76Å; K281-E313 PolarHBondContact NZ-OE2 3.33Å; E306-E313 PolarHBondContact O-N 3.2Å; K308-E313 HydrophobicContact CB-CB 4.22Å; K308-E313 VanDerWaalsContact CD-CD 3.46Å; K308-E313 WeakPolarHBondContact CD-OE1 3.12Å; K308-E313 VanDerWaalsContact CD-OE2 3.31Å; K308-E313 WeakPolarHBondContact CD-OE2 3.47Å; K308-E313 IonicContact NZ-OE1 2.68Å; K308-E313 PolarHBondContact NZ-OE1 3.04Å; L311-E313 PolarHBondContact O-N 2.68Å |
| 314 | T | 97.9 | Very high | 94.7 | Very high | 62 Ų | 62 | 50.3 Ų | 50.3 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 149.2 | 172.9 | 71.5 | 0 | 0 | 0 | 0 | 110.6 | L305 E306 | L305-T314 WeakPolarHBondContact CA-O 3.41Å; E306-T314 WeakPolarHBondContact CB-OG1 3.36Å; E306-T314 PolarHBondContact N-O 3.49Å; E306-T314 PolarHBondContact O-N 3.13Å |
| 315 | C | 97.3 | Very high | 94.4 | Very high | 16 Ų | 16 | 48.4 Ų | 48.4 | 11% | 0.108 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 130 | 178 | 179.8 | 0 | 0 | 0 | 0 | 110.3 | L305 V312 A333 L337 | L305-C315 HydrophobicContact CD2-CB 3.53Å; L305-C315 WeakPolarHBondContact CD2-SG 3.36Å; V312-C315 HydrophobicContact CG1-CB 4Å; C315-A333 HydrophobicContact CB-CB 4.21Å; C315-A333 VanDerWaalsContact SG-CA 3.57Å; C315-L337 HydrophobicContact CB-CD2 3.91Å |
| 316 | R | 96 | Very high | 94.1 | Very high | 163 Ų | 163 | 55.5 Ų | 55.5 | 62% | 0.615 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 131.3 | 170.6 | -63.4 | -177.3 | 179.4 | -164.1 | -1.8 | 108.9 | Q304 | Q304-R316 HydrophobicContact CB-CB 4.34Å; Q304-R316 PolarHBondContact N-O 3.45Å; Q304-R316 PolarHBondContact O-N 3.22Å |
| 317 | V | 94.9 | Very high | 93.8 | Very high | 11 Ų | 11 | 62.1 Ų | 62.1 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 101.6 | 178.6 | -171.8 | 0 | 0 | 0 | 0 | 107.2 | E302 L303 V319 A333 L368 L372 | E302-V317 WeakPolarHBondContact O-CA 3.49Å; L303-V317 HydrophobicContact CD1-CG2 3.93Å; V317-V319 HydrophobicContact CG1-CG2 3.83Å; V317-A333 HydrophobicContact CG2-CB 4.17Å; V317-L368 HydrophobicContact CG1-CD1 4.08Å; V317-L368 HydrophobicContact CG1-CD2 4.44Å; V317-L372 HydrophobicContact CG1-CD2 4.29Å; V317-L372 HydrophobicContact CG2-CD1 4.42Å; V317-L372 HydrophobicContact CG2-CD2 3.9Å |
| 318 | E | 93.8 | Very high | 93.4 | Very high | 103 Ų | 103 | 62.5 Ų | 62.5 | 48% | 0.481 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 118.9 | 178.8 | -64.2 | -174.4 | -173.6 | 0 | 0 | 108.9 | A301 E302 | A301-E318 CarbonylContact C-O 3.51Å; A301-E318 WeakPolarHBondContact CA-O 3.49Å; A301-E318 VanDerWaalsContact CB-O 3.31Å; A301-E318 WeakPolarHBondContact CB-O 3.27Å; E302-E318 HydrophobicContact CB-CB 4.31Å; E302-E318 PolarHBondContact N-O 3.31Å; E302-E318 PolarHBondContact O-N 3.46Å |
| 319 | V | 92.4 | Very high | 93.1 | Very high | 20 Ų | 20 | 58.5 Ų | 58.5 | 12% | 0.121 | 31% | 0.312 | C | S | . | . | trans | -128.4 | 137.2 | -177 | -172.5 | 0 | 0 | 0 | 0 | 107.5 | L290 A301 V317 A321 W323 L324 L368 | L290-V319 HydrophobicContact CD1-CG1 3.93Å; A301-V319 HydrophobicContact CB-CG2 3.97Å; V317-V319 HydrophobicContact CG1-CG2 3.83Å; V319-A321 PolarHBondContact O-N 3.48Å; V319-W323 HydrophobicContact CG1-CB 4.45Å; V319-W323 HydrophobicContact CG1-CD2 4.35Å; V319-W323 HydrophobicContact CG1-CE3 3.47Å; V319-W323 VanDerWaalsContact CG1-CE3 3.47Å; V319-W323 HydrophobicContact CG1-CZ3 4.08Å; V319-L324 HydrophobicContact CG1-CB 4Å; V319-L368 HydrophobicContact CG2-CD1 4.41Å; V319-L368 HydrophobicContact CG2-CD2 3.94Å | ||
| 320 | P | 90.6 | Very high | 92.8 | Very high | 61 Ų | 61 | 56.2 Ų | 56.2 | 40% | 0.396 | 31% | 0.307 | S | S | . | . | trans | -55.4 | 127 | 175.6 | -30.8 | 40 | 0 | 0 | 0 | 111.3 | C299 S300 A322 W323 L324 | C299-P320 VanDerWaalsContact SG-CG 3.56Å; S300-P320 WeakPolarHBondContact O-CD 3.46Å; P320-A322 PolarHBondContact O-N 2.97Å; P320-A322 VanDerWaalsContact O-N 3.07Å; P320-W323 HydrophobicContact CB-CB 4.47Å; P320-W323 WeakPolarHBondContact O-CA 3.4Å; P320-W323 WeakPolarHBondContact O-CB 3.2Å; P320-W323 PolarHBondContact O-N 3.18Å; P320-L324 PolarHBondContact O-N 2.91Å | ||
| 321 | A | 86.4 | Confident | 92.6 | Very high | 82 Ų | 82 | 58.7 Ų | 58.7 | 68% | 0.678 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -26 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | V319 W323 | V319-A321 PolarHBondContact O-N 3.48Å; A321-W323 VanDerWaalsContact C-N 3.27Å; A321-W323 PolarHBondContact O-N 3.16Å |
| 322 | A | 86.9 | Confident | 92.4 | Very high | 99 Ų | 99 | 55.7 Ų | 55.7 | 82% | 0.818 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -23.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | P320 | P320-A322 PolarHBondContact O-N 2.97Å; P320-A322 VanDerWaalsContact O-N 3.07Å |
| 323 | W | 88.3 | Confident | 92.2 | Very high | 15 Ų | 15 | 56 Ų | 56 | 6% | 0.057 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -49.2 | -179 | -167.7 | 88.4 | 0 | 0 | 0 | 111.8 | L290 V319 P320 A321 R364 L368 | L290-W323 HydrophobicContact CB-CH2 4.26Å; L290-W323 HydrophobicContact CB-CZ2 3.86Å; L290-W323 HydrophobicContact CD1-CD2 3.9Å; L290-W323 HydrophobicContact CD1-CE3 3.81Å; L290-W323 HydrophobicContact CD1-CH2 4.14Å; L290-W323 HydrophobicContact CD1-CZ2 4.25Å; L290-W323 HydrophobicContact CD1-CZ3 3.94Å; L290-W323 HydrophobicContact CD2-CH2 4.07Å; L290-W323 HydrophobicContact CD2-CZ3 4.37Å; L290-W323 HydrophobicContact CG-CH2 4.4Å; L290-W323 HydrophobicContact CG-CZ2 4.45Å; V319-W323 HydrophobicContact CG1-CB 4.45Å; V319-W323 HydrophobicContact CG1-CD2 4.35Å; V319-W323 HydrophobicContact CG1-CE3 3.47Å; V319-W323 VanDerWaalsContact CG1-CE3 3.47Å; V319-W323 HydrophobicContact CG1-CZ3 4.08Å; P320-W323 HydrophobicContact CB-CB 4.47Å; P320-W323 WeakPolarHBondContact O-CA 3.4Å; P320-W323 WeakPolarHBondContact O-CB 3.2Å; P320-W323 PolarHBondContact O-N 3.18Å; A321-W323 VanDerWaalsContact C-N 3.27Å; A321-W323 PolarHBondContact O-N 3.16Å; W323-R364 HydrophobicContact CD2-CB 4.48Å; W323-R364 HydrophobicContact CD2-CG 4.47Å; W323-R364 HydrophobicContact CE3-CB 4.42Å; W323-R364 HydrophobicContact CH2-CB 3.66Å; W323-R364 HydrophobicContact CH2-CG 4.32Å; W323-R364 WeakPolarHBondContact CH2-O 3.09Å; W323-R364 HydrophobicContact CZ2-CB 3.67Å; W323-R364 HydrophobicContact CZ2-CG 3.8Å; W323-R364 HydrophobicContact CZ3-CB 4.03Å; W323-R364 WeakPolarHBondContact O-CD 3.43Å; W323-R364 PolarHBondContact O-NH1 3.45Å; W323-L368 HydrophobicContact CH2-CB 4.19Å; W323-L368 HydrophobicContact CZ3-CB 4.16Å |
| 324 | L | 89.1 | Confident | 92.1 | Very high | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | S | Bend | trans | -141.8 | 136 | 175.4 | -168.8 | 75.1 | 0 | 0 | 0 | 110.7 | V319 P320 E326 L328 L365 L368 | V319-L324 HydrophobicContact CG1-CB 4Å; P320-L324 PolarHBondContact O-N 2.91Å; L324-E326 PolarHBondContact O-N 3.4Å; L324-L328 HydrophobicContact CD1-CB 4.35Å; L324-L328 HydrophobicContact CD1-CD1 3.72Å; L324-L328 HydrophobicContact CD2-CB 3.97Å; L324-L328 HydrophobicContact CG-CB 4.01Å; L324-L328 HydrophobicContact CG-CD1 4.2Å; L324-L365 HydrophobicContact CD1-CD1 4.46Å; L324-L365 HydrophobicContact CD2-CD1 4.05Å; L324-L368 HydrophobicContact CD2-CD2 3.52Å |
| 325 | P | 90.5 | Very high | 92 | Very high | 34 Ų | 34 | 57 Ų | 57 | 22% | 0.221 | 32% | 0.317 | C | S | . | . | trans | -57.4 | 135.3 | 173.5 | -25 | 33.6 | 0 | 0 | 0 | 112.4 | R327 L328 L361 | P325-R327 HydrophobicContact CB-CG 4.15Å; P325-R327 PolarHBondContact O-N 3.2Å; P325-R327 VanDerWaalsContact O-N 3.13Å; P325-L328 HydrophobicContact CG-CD1 4.45Å; P325-L328 WeakPolarHBondContact O-CB 3.21Å; P325-L328 PolarHBondContact O-N 2.95Å; P325-L361 HydrophobicContact CG-CD1 4Å | ||
| 326 | E | 90.3 | Very high | 91.9 | Very high | 154 Ų | 154 | 56.3 Ų | 56.3 | 72% | 0.72 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -54.7 | -35 | -178.1 | -172.7 | -178.1 | 175.3 | 0 | 0 | 113.3 | L324 L328 S329 A330 | L324-E326 PolarHBondContact O-N 3.4Å; E326-L328 PolarHBondContact O-N 3.2Å; E326-L328 VanDerWaalsContact O-N 3.11Å; E326-S329 PolarHBondContact O-N 2.84Å; E326-S329 PolarHBondContact O-OG 3.47Å; E326-A330 VanDerWaalsContact O-CB 3.25Å; E326-A330 WeakPolarHBondContact O-CB 3.36Å; E326-A330 PolarHBondContact O-N 2.88Å |
| 327 | R | 91.2 | Very high | 92 | Very high | 154 Ų | 154 | 51.6 Ų | 51.6 | 58% | 0.581 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -54.4 | -33.8 | 175.5 | 72.5 | 178.4 | -174.5 | -90.8 | -3.3 | 112.9 | P325 S331 | P325-R327 HydrophobicContact CB-CG 4.15Å; P325-R327 PolarHBondContact O-N 3.2Å; P325-R327 VanDerWaalsContact O-N 3.13Å; R327-S331 WeakPolarHBondContact O-CB 3.34Å; R327-S331 PolarHBondContact O-N 3.35Å; R327-S331 PolarHBondContact O-OG 3.2Å |
| 328 | L | 90.1 | Very high | 92 | Very high | 8 Ų | 8 | 53.3 Ų | 53.3 | 4% | 0.042 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -80.6 | -45.5 | -176.6 | -63.2 | -177.5 | 0 | 0 | 0 | 110.5 | L324 P325 E326 A330 S331 L332 E357 L361 L365 | L324-L328 HydrophobicContact CD1-CB 4.35Å; L324-L328 HydrophobicContact CD1-CD1 3.72Å; L324-L328 HydrophobicContact CD2-CB 3.97Å; L324-L328 HydrophobicContact CG-CB 4.01Å; L324-L328 HydrophobicContact CG-CD1 4.2Å; P325-L328 HydrophobicContact CG-CD1 4.45Å; P325-L328 WeakPolarHBondContact O-CB 3.21Å; P325-L328 PolarHBondContact O-N 2.95Å; E326-L328 PolarHBondContact O-N 3.2Å; E326-L328 VanDerWaalsContact O-N 3.11Å; L328-A330 VanDerWaalsContact C-N 3.31Å; L328-A330 PolarHBondContact O-N 3.24Å; L328-S331 PolarHBondContact O-N 3.12Å; L328-L332 WeakPolarHBondContact O-CG 3.37Å; L328-L332 PolarHBondContact O-N 3.38Å; L328-E357 VanDerWaalsContact CD2-CD 3.46Å; L328-E357 HydrophobicContact CD2-CG 4.26Å; L328-E357 WeakPolarHBondContact CD2-OE1 3.23Å; L328-L361 HydrophobicContact CD1-CD1 3.97Å; L328-L365 HydrophobicContact CB-CD1 4.34Å |
| 329 | S | 91 | Very high | 92.2 | Very high | 5 Ų | 5 | 50.5 Ų | 50.5 | 4% | 0.035 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 174.9 | 57.7 | 0 | 0 | 0 | 0 | 111.8 | E326 L332 A333 | E326-S329 PolarHBondContact O-N 2.84Å; E326-S329 PolarHBondContact O-OG 3.47Å; S329-L332 PolarHBondContact O-N 3.05Å; S329-A333 WeakPolarHBondContact O-CB 3.42Å; S329-A333 PolarHBondContact O-N 2.88Å |
| 330 | A | 92.3 | Very high | 92.4 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 44% | 0.438 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E326 L328 A333 Q334 | E326-A330 VanDerWaalsContact O-CB 3.25Å; E326-A330 WeakPolarHBondContact O-CB 3.36Å; E326-A330 PolarHBondContact O-N 2.88Å; L328-A330 VanDerWaalsContact C-N 3.31Å; L328-A330 PolarHBondContact O-N 3.24Å; A330-A333 PolarHBondContact O-N 3.39Å; A330-Q334 WeakPolarHBondContact O-CB 3.4Å; A330-Q334 PolarHBondContact O-N 2.94Å |
| 331 | S | 92.7 | Very high | 92.6 | Very high | 53 Ų | 53 | 47.8 Ų | 47.8 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -64.5 | -41.7 | 176.5 | -62.7 | 0 | 0 | 0 | 0 | 111.9 | R327 L328 Q334 A335 L353 | R327-S331 WeakPolarHBondContact O-CB 3.34Å; R327-S331 PolarHBondContact O-N 3.35Å; R327-S331 PolarHBondContact O-OG 3.2Å; L328-S331 PolarHBondContact O-N 3.12Å; S331-Q334 PolarHBondContact O-N 2.94Å; S331-A335 PolarHBondContact O-N 2.8Å; S331-L353 WeakPolarHBondContact O-CD1 3.47Å |
| 332 | L | 92.4 | Very high | 92.9 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.5 | -45.8 | 174.2 | -65.3 | 172.8 | 0 | 0 | 0 | 111.2 | L328 S329 Q334 A335 L336 L350 L353 L365 L368 C369 L372 | L328-L332 WeakPolarHBondContact O-CG 3.37Å; L328-L332 PolarHBondContact O-N 3.38Å; S329-L332 PolarHBondContact O-N 3.05Å; L332-Q334 VanDerWaalsContact C-N 3.31Å; L332-Q334 PolarHBondContact O-N 3.24Å; L332-A335 PolarHBondContact O-N 2.72Å; L332-L336 PolarHBondContact O-N 2.82Å; L332-L350 HydrophobicContact CB-CD2 4.13Å; L332-L350 HydrophobicContact CD2-CD2 3.74Å; L332-L353 HydrophobicContact CD2-CB 4.34Å; L332-L353 HydrophobicContact CD2-CD1 3.81Å; L332-L353 HydrophobicContact CG-CD1 4.43Å; L332-L365 HydrophobicContact CD1-CD1 3.72Å; L332-L365 HydrophobicContact CD2-CD1 4.2Å; L332-L365 HydrophobicContact CG-CD1 4.18Å; L332-L368 HydrophobicContact CD1-CB 4.5Å; L332-L368 HydrophobicContact CD1-CD2 3.48Å; L332-L368 VanDerWaalsContact CD1-CD2 3.48Å; L332-L368 HydrophobicContact CD1-CG 3.86Å; L332-C369 VanDerWaalsContact CD2-SG 3.58Å; L332-L372 HydrophobicContact CB-CD1 4.41Å; L332-L372 HydrophobicContact CD1-CD1 4.19Å |
| 333 | A | 94.5 | Very high | 93.2 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | C315 V317 S329 A330 A335 L336 | C315-A333 HydrophobicContact CB-CB 4.21Å; C315-A333 VanDerWaalsContact SG-CA 3.57Å; V317-A333 HydrophobicContact CG2-CB 4.17Å; S329-A333 WeakPolarHBondContact O-CB 3.42Å; S329-A333 PolarHBondContact O-N 2.88Å; A330-A333 PolarHBondContact O-N 3.39Å; A333-A335 PolarHBondContact O-N 3.04Å; A333-L336 PolarHBondContact O-N 2.92Å |
| 334 | Q | 95.4 | Very high | 93.4 | Very high | 128 Ų | 128 | 46 Ų | 46 | 60% | 0.598 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -63.3 | -39.5 | 177 | -174.5 | 62 | 33.9 | 0 | 0 | 112.4 | A330 S331 L332 L336 L337 | A330-Q334 WeakPolarHBondContact O-CB 3.4Å; A330-Q334 PolarHBondContact O-N 2.94Å; S331-Q334 PolarHBondContact O-N 2.94Å; L332-Q334 VanDerWaalsContact C-N 3.31Å; L332-Q334 PolarHBondContact O-N 3.24Å; Q334-L336 PolarHBondContact O-N 3.08Å; Q334-L337 PolarHBondContact O-N 2.83Å |
| 335 | A | 95.2 | Very high | 93.6 | Very high | 30 Ų | 30 | 51.1 Ų | 51.1 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -21.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | S331 L332 A333 L350 L353 | S331-A335 PolarHBondContact O-N 2.8Å; L332-A335 PolarHBondContact O-N 2.72Å; A333-A335 PolarHBondContact O-N 3.04Å; A335-L350 HydrophobicContact CB-CD2 4.41Å; A335-L353 HydrophobicContact CB-CD1 3.58Å; A335-L353 HydrophobicContact CB-CG 4.43Å |
| 336 | L | 96 | Very high | 93.8 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -84.6 | -17.2 | 176.6 | -65.7 | 174.3 | 0 | 0 | 0 | 113 | V312 L332 A333 Q334 G338 E339 A346 L350 M376 | V312-L336 VanDerWaalsContact CB-O 3.29Å; V312-L336 WeakPolarHBondContact CB-O 3.37Å; L332-L336 PolarHBondContact O-N 2.82Å; A333-L336 PolarHBondContact O-N 2.92Å; Q334-L336 PolarHBondContact O-N 3.08Å; L336-G338 PolarHBondContact O-N 2.97Å; L336-E339 WeakPolarHBondContact O-CB 3.28Å; L336-E339 PolarHBondContact O-N 3.41Å; L336-A346 HydrophobicContact CD2-CB 3.9Å; L336-L350 HydrophobicContact CD1-CD2 4.4Å; L336-L350 HydrophobicContact CD2-CD1 4.37Å; L336-L350 HydrophobicContact CD2-CD2 3.9Å; L336-L350 HydrophobicContact CD2-CG 4.03Å; L336-L350 HydrophobicContact CG-CD2 3.94Å; L336-M376 HydrophobicContact CD1-SD 4.11Å; L336-M376 HydrophobicContact CD2-CE 4.28Å; L336-M376 HydrophobicContact CD2-SD 3.96Å |
| 337 | L | 97.1 | Very high | 94 | Very high | 64 Ų | 64 | 43.8 Ų | 43.8 | 34% | 0.335 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 130.6 | -177.6 | -62.9 | -176.1 | 0 | 0 | 0 | 111.4 | V312 C315 Q334 E339 | V312-L337 HydrophobicContact CG1-CD2 4.27Å; C315-L337 HydrophobicContact CB-CD2 3.91Å; Q334-L337 PolarHBondContact O-N 2.83Å; L337-E339 PolarHBondContact O-N 3.39Å |
| 338 | G | 96.6 | Very high | 94.1 | Very high | 48 Ų | 48 | 39.4 Ų | 39.4 | 50% | 0.495 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.4 | -9.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | V312 L336 | V312-G338 PolarHBondContact O-N 3.5Å; L336-G338 PolarHBondContact O-N 2.97Å |
| 339 | E | 96.8 | Very high | 94.2 | Very high | 43 Ų | 43 | 40 Ų | 40 | 20% | 0.201 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -75 | 149.7 | 175.9 | -72.7 | -65.2 | 149.3 | 0 | 0 | 111.5 | L311 V312 L336 L337 F341 R345 A349 | L311-E339 WeakPolarHBondContact CA-O 3.46Å; V312-E339 PolarHBondContact N-O 3.44Å; L336-E339 WeakPolarHBondContact O-CB 3.28Å; L336-E339 PolarHBondContact O-N 3.41Å; L337-E339 PolarHBondContact O-N 3.39Å; E339-F341 PolarHBondContact O-N 2.89Å; E339-R345 IonicContact OE1-NH2 3.56Å; E339-R345 PolarHBondContact OE1-NH2 3.14Å; E339-R345 IonicContact OE2-CZ 2.82Å; E339-R345 IonicContact OE2-NE 2.83Å; E339-R345 PolarHBondContact OE2-NE 2.89Å; E339-R345 IonicContact OE2-NH2 3.33Å; E339-R345 PolarHBondContact OE2-NH2 3.22Å; E339-A349 HydrophobicContact CG-CB 4.09Å |
| 340 | P | 96.6 | Very high | 94.3 | Very high | 25 Ų | 25 | 39.8 Ų | 39.8 | 16% | 0.162 | 24% | 0.242 | C | C | . | . | B | Isolated β-bridge | trans | -56.5 | 132.3 | 168.4 | -25.4 | 36.1 | 0 | 0 | 0 | 111.4 | W272 L311 C342 R345 | W272-P340 HydrophobicContact CH2-CB 4.29Å; W272-P340 HydrophobicContact CZ2-CB 3.65Å; W272-P340 HydrophobicContact CZ2-CG 4.5Å; L311-P340 HydrophobicContact CD2-CB 4.34Å; L311-P340 HydrophobicContact CD2-CG 4Å; P340-C342 PolarHBondContact O-N 3.35Å; P340-R345 HydrophobicContact CB-CB 4.4Å; P340-R345 HydrophobicContact CB-CG 4.03Å; P340-R345 HydrophobicContact CG-CG 3.95Å |
| 341 | F | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -69.8 | 78.9 | 175.6 | -174.9 | -106.8 | 0 | 0 | 0 | 110.2 | W84 F282 V284 L305 V307 G310 V312 E339 M376 | W84-F341 AromaticContact CD1-CD1 3.93Å; W84-F341 AromaticContact CD1-CE1 3.63Å; W84-F341 AromaticContact CD2-CD1 3.91Å; W84-F341 HydrophobicContact CD2-CD1 3.91Å; W84-F341 HydrophobicContact CD2-CE1 4.11Å; W84-F341 AromaticContact CE2-CD1 3.47Å; W84-F341 VanDerWaalsContact CE2-CD1 3.47Å; W84-F341 AromaticContact CE2-CE1 3.99Å; W84-F341 HydrophobicContact CE3-CD1 4.49Å; W84-F341 HydrophobicContact CG-CD1 4.25Å; W84-F341 AromaticContact CG-CE1 3.98Å; W84-F341 HydrophobicContact CG-CE1 3.98Å; W84-F341 HydrophobicContact CH2-CD1 4.39Å; W84-F341 HydrophobicContact CZ2-CB 4.31Å; W84-F341 AromaticContact CZ2-CD1 3.77Å; W84-F341 HydrophobicContact CZ2-CD1 3.77Å; W84-F341 WeakPolarHBondContact CZ2-O 3.3Å; W84-F341 AromaticContact NE1-CD1 3.43Å; W84-F341 AromaticContact NE1-CE1 3.63Å; W84-F341 PolarHBondContact NE1-O 2.96Å; F282-F341 HydrophobicContact CE2-CD1 4.34Å; F282-F341 HydrophobicContact CE2-CE1 4.07Å; F282-F341 AromaticContact CZ-CD1 3.79Å; F282-F341 HydrophobicContact CZ-CD1 3.79Å; F282-F341 AromaticContact CZ-CE1 3.95Å; F282-F341 HydrophobicContact CZ-CE1 3.95Å; V284-F341 HydrophobicContact CG2-CE1 4.48Å; V284-F341 HydrophobicContact CG2-CE2 4.29Å; V284-F341 HydrophobicContact CG2-CZ 3.83Å; L305-F341 HydrophobicContact CD1-CD2 4.16Å; L305-F341 HydrophobicContact CD1-CE2 3.52Å; V307-F341 HydrophobicContact CG1-CB 3.87Å; V307-F341 HydrophobicContact CG1-CG 4.31Å; V307-F341 HydrophobicContact CG2-CB 3.99Å; V307-F341 HydrophobicContact CG2-CD1 4.26Å; V307-F341 HydrophobicContact CG2-CD2 3.68Å; V307-F341 HydrophobicContact CG2-CE2 4.25Å; V307-F341 HydrophobicContact CG2-CG 3.71Å; G310-F341 WeakPolarHBondContact O-CB 3.38Å; G310-F341 PolarHBondContact O-N 3.36Å; V312-F341 HydrophobicContact CG2-CB 4.31Å; V312-F341 HydrophobicContact CG2-CD2 4.18Å; E339-F341 PolarHBondContact O-N 2.89Å; F341-M376 HydrophobicContact CD2-CB 4.17Å; F341-M376 HydrophobicContact CD2-CE 3.73Å; F341-M376 HydrophobicContact CD2-CG 3.91Å; F341-M376 HydrophobicContact CE2-CB 3.9Å; F341-M376 HydrophobicContact CE2-CE 4.37Å; F341-M376 HydrophobicContact CE2-CG 3.57Å; F341-M376 HydrophobicContact CG-CE 4.49Å; F341-M376 HydrophobicContact CZ-CB 4.31Å; F341-M376 HydrophobicContact CZ-CG 4.36Å |
| 342 | C | 92.7 | Very high | 93.8 | Very high | 13 Ų | 13 | 39.2 Ų | 39.2 | 9% | 0.088 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -158.1 | 151.6 | 178.5 | 66.4 | 0 | 0 | 0 | 0 | 111.6 | P340 H344 R345 A346 | P340-C342 PolarHBondContact O-N 3.35Å; C342-H344 PolarHBondContact O-N 3.26Å; C342-H344 PolarHBondContact SG-CE1 2.89Å; C342-H344 PolarHBondContact SG-ND1 2.91Å; C342-R345 PolarHBondContact O-N 3.38Å; C342-R345 VanDerWaalsContact SG-CB 3.6Å; C342-R345 WeakPolarHBondContact SG-CG 3.29Å; C342-A346 WeakPolarHBondContact O-CB 3.39Å; C342-A346 PolarHBondContact O-N 3.32Å; C342-A346 VanDerWaalsContact O-N 3.11Å |
| 343 | P | 92.6 | Very high | 93.3 | Very high | 21 Ų | 21 | 41.6 Ų | 41.6 | 14% | 0.136 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -59.5 | -41 | -171.1 | -33.6 | 39.7 | 0 | 0 | 0 | 115.6 | A347 V373 M376 | P343-A347 VanDerWaalsContact O-CB 3.24Å; P343-A347 WeakPolarHBondContact O-CB 3.47Å; P343-A347 PolarHBondContact O-N 2.92Å; P343-V373 HydrophobicContact CB-CG1 3.88Å; P343-M376 WeakPolarHBondContact CG-OXT 3.25Å |
| 344 | H | 92.6 | Very high | 92.8 | Very high | 125 Ų | 125 | 42.5 Ų | 42.5 | 58% | 0.579 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -72.5 | -35.8 | -172.5 | 66.9 | -82.1 | 0 | 0 | 0 | 112.1 | C342 A348 | C342-H344 PolarHBondContact O-N 3.26Å; C342-H344 PolarHBondContact SG-CE1 2.89Å; C342-H344 PolarHBondContact SG-ND1 2.91Å; H344-A348 WeakPolarHBondContact O-CB 3.37Å; H344-A348 PolarHBondContact O-N 3.3Å; H344-A348 VanDerWaalsContact O-N 3.07Å |
| 345 | R | 94.3 | Very high | 92.1 | Very high | 106 Ų | 106 | 45.3 Ų | 45.3 | 40% | 0.4 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -71.7 | -43.3 | 174.4 | -65.6 | -61.5 | -58.4 | -165.5 | -0.7 | 111.3 | E339 P340 C342 A347 A348 A349 | E339-R345 IonicContact OE1-NH2 3.56Å; E339-R345 PolarHBondContact OE1-NH2 3.14Å; E339-R345 IonicContact OE2-CZ 2.82Å; E339-R345 IonicContact OE2-NE 2.83Å; E339-R345 PolarHBondContact OE2-NE 2.89Å; E339-R345 IonicContact OE2-NH2 3.33Å; E339-R345 PolarHBondContact OE2-NH2 3.22Å; P340-R345 HydrophobicContact CB-CB 4.4Å; P340-R345 HydrophobicContact CB-CG 4.03Å; P340-R345 HydrophobicContact CG-CG 3.95Å; C342-R345 PolarHBondContact O-N 3.38Å; C342-R345 VanDerWaalsContact SG-CB 3.6Å; C342-R345 WeakPolarHBondContact SG-CG 3.29Å; R345-A347 PolarHBondContact O-N 3.41Å; R345-A348 PolarHBondContact O-N 2.88Å; R345-A349 WeakPolarHBondContact O-CB 3.4Å; R345-A349 PolarHBondContact O-N 3.4Å |
| 346 | A | 93.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -56.3 | -50.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L336 C342 A348 A349 L350 V373 M376 | L336-A346 HydrophobicContact CD2-CB 3.9Å; C342-A346 WeakPolarHBondContact O-CB 3.39Å; C342-A346 PolarHBondContact O-N 3.32Å; C342-A346 VanDerWaalsContact O-N 3.11Å; A346-A348 VanDerWaalsContact C-N 3.31Å; A346-A348 PolarHBondContact O-N 3.08Å; A346-A349 PolarHBondContact O-N 3.13Å; A346-L350 WeakPolarHBondContact O-CB 3.45Å; A346-L350 VanDerWaalsContact O-CG 3.25Å; A346-L350 WeakPolarHBondContact O-CG 3.31Å; A346-L350 PolarHBondContact O-N 3.23Å; A346-V373 HydrophobicContact CB-CG2 4.13Å; A346-M376 HydrophobicContact CB-CE 3.84Å; A346-M376 HydrophobicContact CB-SD 3.41Å; A346-M376 WeakPolarHBondContact CB-SD 3.38Å |
| 347 | A | 94.5 | Very high | 90.4 | Very high | 34 Ų | 34 | 52 Ų | 52 | 28% | 0.281 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -41.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P343 R345 S351 V373 | P343-A347 VanDerWaalsContact O-CB 3.24Å; P343-A347 WeakPolarHBondContact O-CB 3.47Å; P343-A347 PolarHBondContact O-N 2.92Å; R345-A347 PolarHBondContact O-N 3.41Å; A347-S351 VanDerWaalsContact O-CB 3.25Å; A347-S351 WeakPolarHBondContact O-CB 3.17Å; A347-S351 PolarHBondContact O-N 3.31Å; A347-S351 PolarHBondContact O-OG 3.33Å; A347-V373 HydrophobicContact CB-CG1 4.26Å; A347-V373 HydrophobicContact CB-CG2 3.93Å |
| 348 | A | 93.8 | Very high | 89 | Confident | 63 Ų | 63 | 51.9 Ų | 51.9 | 52% | 0.521 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | H344 R345 A346 | H344-A348 WeakPolarHBondContact O-CB 3.37Å; H344-A348 PolarHBondContact O-N 3.3Å; H344-A348 VanDerWaalsContact O-N 3.07Å; R345-A348 PolarHBondContact O-N 2.88Å; A346-A348 VanDerWaalsContact C-N 3.31Å; A346-A348 PolarHBondContact O-N 3.08Å |
| 349 | A | 92.9 | Very high | 87.7 | Confident | 19 Ų | 19 | 60.9 Ų | 60.9 | 16% | 0.157 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | E339 R345 A346 S351 A352 | E339-A349 HydrophobicContact CG-CB 4.09Å; R345-A349 WeakPolarHBondContact O-CB 3.4Å; R345-A349 PolarHBondContact O-N 3.4Å; A346-A349 PolarHBondContact O-N 3.13Å; A349-S351 PolarHBondContact O-N 3.27Å; A349-A352 PolarHBondContact O-N 2.84Å |
| 350 | L | 93 | Very high | 86.7 | Confident | 1 Ų | 1 | 64.1 Ų | 64.1 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.2 | -28.4 | -178.3 | -60.4 | -176 | 0 | 0 | 0 | 113 | L332 A335 L336 A346 A352 L353 L354 C369 L372 V373 | L332-L350 HydrophobicContact CB-CD2 4.13Å; L332-L350 HydrophobicContact CD2-CD2 3.74Å; A335-L350 HydrophobicContact CB-CD2 4.41Å; L336-L350 HydrophobicContact CD1-CD2 4.4Å; L336-L350 HydrophobicContact CD2-CD1 4.37Å; L336-L350 HydrophobicContact CD2-CD2 3.9Å; L336-L350 HydrophobicContact CD2-CG 4.03Å; L336-L350 HydrophobicContact CG-CD2 3.94Å; A346-L350 WeakPolarHBondContact O-CB 3.45Å; A346-L350 VanDerWaalsContact O-CG 3.25Å; A346-L350 WeakPolarHBondContact O-CG 3.31Å; A346-L350 PolarHBondContact O-N 3.23Å; L350-A352 PolarHBondContact O-N 3.17Å; L350-L353 PolarHBondContact O-N 3.17Å; L350-L353 VanDerWaalsContact O-N 3.16Å; L350-L354 PolarHBondContact O-N 3.38Å; L350-C369 HydrophobicContact CB-CB 4.37Å; L350-C369 HydrophobicContact CD1-CB 4.07Å; L350-L372 HydrophobicContact CD1-CB 4.13Å; L350-L372 HydrophobicContact CD1-CD1 4.28Å; L350-V373 HydrophobicContact CD1-CG2 4.14Å |
| 351 | S | 90.3 | Very high | 86 | Confident | 48 Ų | 48 | 64.5 Ų | 64.5 | 34% | 0.336 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.5 | -26.9 | 177.6 | -69.8 | 0 | 0 | 0 | 0 | 113.4 | A347 A349 R355 | A347-S351 VanDerWaalsContact O-CB 3.25Å; A347-S351 WeakPolarHBondContact O-CB 3.17Å; A347-S351 PolarHBondContact O-N 3.31Å; A347-S351 PolarHBondContact O-OG 3.33Å; A349-S351 PolarHBondContact O-N 3.27Å; S351-R355 PolarHBondContact O-NH1 2.94Å |
| 352 | A | 82.9 | Confident | 85.5 | Confident | 46 Ų | 46 | 67 Ų | 67 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -66.7 | -41.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | A349 L350 R355 | A349-A352 PolarHBondContact O-N 2.84Å; L350-A352 PolarHBondContact O-N 3.17Å; A352-R355 PolarHBondContact O-N 2.95Å |
| 353 | L | 82.4 | Confident | 85.2 | Confident | 52 Ų | 52 | 67.6 Ų | 67.6 | 27% | 0.272 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -71.3 | -39.5 | 179.6 | -67.8 | 172.7 | 0 | 0 | 0 | 112.1 | S331 L332 A335 L350 R355 C356 | S331-L353 WeakPolarHBondContact O-CD1 3.47Å; L332-L353 HydrophobicContact CD2-CB 4.34Å; L332-L353 HydrophobicContact CD2-CD1 3.81Å; L332-L353 HydrophobicContact CG-CD1 4.43Å; A335-L353 HydrophobicContact CB-CD1 3.58Å; A335-L353 HydrophobicContact CB-CG 4.43Å; L350-L353 PolarHBondContact O-N 3.17Å; L350-L353 VanDerWaalsContact O-N 3.16Å; L353-R355 PolarHBondContact O-N 2.72Å; L353-R355 VanDerWaalsContact O-N 3.13Å; L353-C356 PolarHBondContact O-N 2.88Å; L353-C356 VanDerWaalsContact O-N 3.13Å |
| 354 | L | 84.1 | Confident | 85.1 | Confident | 26 Ų | 26 | 69.6 Ų | 69.6 | 14% | 0.136 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.2 | -27 | 177.5 | -78 | 168 | 0 | 0 | 0 | 113.5 | L350 H362 L365 R366 C369 | L350-L354 PolarHBondContact O-N 3.38Å; L354-H362 PolarHBondContact O-CE1 2.93Å; L354-L365 HydrophobicContact CD2-CB 4.14Å; L354-L365 HydrophobicContact CD2-CD2 3.89Å; L354-L365 HydrophobicContact CD2-CG 3.72Å; L354-R366 HydrophobicContact CD2-CB 4.18Å; L354-C369 HydrophobicContact CD1-CB 4.02Å |
| 355 | R | 81.4 | Confident | 85 | Confident | 186 Ų | 186 | 63.8 Ų | 63.8 | 70% | 0.702 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -18.9 | -179.3 | -72.3 | -172.7 | -66.2 | -98.8 | 5.9 | 114 | S351 A352 L353 | S351-R355 PolarHBondContact O-NH1 2.94Å; A352-R355 PolarHBondContact O-N 2.95Å; L353-R355 PolarHBondContact O-N 2.72Å; L353-R355 VanDerWaalsContact O-N 3.13Å |
| 356 | C | 75.1 | Confident | 84.8 | Confident | 108 Ų | 108 | 64.9 Ų | 64.9 | 73% | 0.73 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -95.4 | -4.4 | -172.5 | -63.8 | 0 | 0 | 0 | 0 | 113.4 | L353 | L353-C356 PolarHBondContact O-N 2.88Å; L353-C356 VanDerWaalsContact O-N 3.13Å |
| 357 | E | 78.7 | Confident | 84.7 | Confident | 64 Ų | 64 | 66.2 Ų | 66.2 | 30% | 0.299 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -103.2 | 154.4 | -166.8 | -73.2 | -63.7 | 156.2 | 0 | 0 | 114.9 | L328 L365 | L328-E357 VanDerWaalsContact CD2-CD 3.46Å; L328-E357 HydrophobicContact CD2-CG 4.26Å; L328-E357 WeakPolarHBondContact CD2-OE1 3.23Å; E357-L365 HydrophobicContact CB-CD2 3.89Å; E357-L365 HydrophobicContact CG-CD2 3.64Å |
| 358 | S | 68.6 | Low | 84.6 | Confident | 61 Ų | 61 | 64.6 Ų | 64.6 | 43% | 0.427 | 34% | 0.34 | S | S | . | . | trans | -74.5 | 151.2 | -174.7 | 66.6 | 0 | 0 | 0 | 0 | 113.6 | L361 H362 | S358-L361 PolarHBondContact O-N 3.22Å; S358-H362 PolarHBondContact O-N 2.88Å | ||
| 359 | R | 69.7 | Low | 84.5 | Confident | 238 Ų | 238 | 61.8 Ų | 61.8 | 90% | 0.898 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -49.9 | -40.9 | -176 | -72.4 | -171.3 | 179.1 | -165.9 | 0.3 | 116.6 | L361 H362 | R359-L361 PolarHBondContact O-N 2.89Å; R359-H362 PolarHBondContact O-N 2.83Å |
| 360 | P | 74.4 | Confident | 84.5 | Confident | 110 Ų | 110 | 65.4 Ų | 65.4 | 71% | 0.714 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -73.3 | -24.1 | -172.8 | 25.8 | -32.9 | 0 | 0 | 0 | 114.5 | ||
| 361 | L | 82.3 | Confident | 84.5 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 17% | 0.173 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -101.1 | -6.3 | 179.3 | -65.8 | 176.2 | 0 | 0 | 0 | 112.9 | P325 L328 S358 R359 G363 R364 L365 | P325-L361 HydrophobicContact CG-CD1 4Å; L328-L361 HydrophobicContact CD1-CD1 3.97Å; S358-L361 PolarHBondContact O-N 3.22Å; R359-L361 PolarHBondContact O-N 2.89Å; L361-G363 PolarHBondContact O-N 2.84Å; L361-R364 PolarHBondContact O-N 3.06Å; L361-L365 WeakPolarHBondContact O-CB 3.37Å; L361-L365 PolarHBondContact O-N 2.96Å |
| 362 | H | 85.8 | Confident | 84.6 | Confident | 53 Ų | 53 | 64.4 Ų | 64.4 | 25% | 0.245 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | -172.6 | -166.2 | 78.1 | 0 | 0 | 0 | 113.2 | L354 S358 R359 R366 | L354-H362 PolarHBondContact O-CE1 2.93Å; S358-H362 PolarHBondContact O-N 2.88Å; R359-H362 PolarHBondContact O-N 2.83Å; H362-R366 PolarHBondContact NE2-NH2 2.96Å; H362-R366 VanDerWaalsContact O-CB 3.29Å; H362-R366 WeakPolarHBondContact O-CB 3.36Å; H362-R366 PolarHBondContact O-N 3.33Å |
| 363 | G | 86.9 | Confident | 85.1 | Confident | 25 Ų | 25 | 63.7 Ų | 63.7 | 26% | 0.258 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -63.5 | -48.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L361 R366 N367 | L361-G363 PolarHBondContact O-N 2.84Å; G363-R366 PolarHBondContact O-N 2.95Å; G363-N367 PolarHBondContact O-N 2.88Å |
| 364 | R | 89.2 | Confident | 85.4 | Confident | 64 Ų | 64 | 65 Ų | 65 | 24% | 0.242 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 176 | -67.2 | -175.3 | -174.8 | 170.8 | -0.4 | 111.7 | D292 W323 L361 R366 N367 L368 | D292-R364 IonicContact OD1-CZ 3.06Å; D292-R364 IonicContact OD1-NE 2.72Å; D292-R364 PolarHBondContact OD1-NE 3.3Å; D292-R364 IonicContact OD1-NH2 3.17Å; D292-R364 IonicContact OD2-CZ 2.72Å; D292-R364 VanDerWaalsContact OD2-CZ 3.3Å; D292-R364 IonicContact OD2-NE 2.83Å; D292-R364 PolarHBondContact OD2-NE 3.31Å; D292-R364 IonicContact OD2-NH2 3.75Å; D292-R364 PolarHBondContact OD2-NH2 2.98Å; W323-R364 HydrophobicContact CD2-CB 4.48Å; W323-R364 HydrophobicContact CD2-CG 4.47Å; W323-R364 HydrophobicContact CE3-CB 4.42Å; W323-R364 HydrophobicContact CH2-CB 3.66Å; W323-R364 HydrophobicContact CH2-CG 4.32Å; W323-R364 WeakPolarHBondContact CH2-O 3.09Å; W323-R364 HydrophobicContact CZ2-CB 3.67Å; W323-R364 HydrophobicContact CZ2-CG 3.8Å; W323-R364 HydrophobicContact CZ3-CB 4.03Å; W323-R364 WeakPolarHBondContact O-CD 3.43Å; W323-R364 PolarHBondContact O-NH1 3.45Å; L361-R364 PolarHBondContact O-N 3.06Å; R364-R366 VanDerWaalsContact C-N 3.33Å; R364-R366 PolarHBondContact O-N 3.38Å; R364-N367 PolarHBondContact O-N 3.25Å; R364-L368 PolarHBondContact O-N 2.78Å |
| 365 | L | 89.9 | Confident | 85.7 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.4 | -42.9 | 178.2 | -171.8 | 66.9 | 0 | 0 | 0 | 111.7 | L324 L328 L332 L354 E357 L361 L368 C369 | L324-L365 HydrophobicContact CD1-CD1 4.46Å; L324-L365 HydrophobicContact CD2-CD1 4.05Å; L328-L365 HydrophobicContact CB-CD1 4.34Å; L332-L365 HydrophobicContact CD1-CD1 3.72Å; L332-L365 HydrophobicContact CD2-CD1 4.2Å; L332-L365 HydrophobicContact CG-CD1 4.18Å; L354-L365 HydrophobicContact CD2-CB 4.14Å; L354-L365 HydrophobicContact CD2-CD2 3.89Å; L354-L365 HydrophobicContact CD2-CG 3.72Å; E357-L365 HydrophobicContact CB-CD2 3.89Å; E357-L365 HydrophobicContact CG-CD2 3.64Å; L361-L365 WeakPolarHBondContact O-CB 3.37Å; L361-L365 PolarHBondContact O-N 2.96Å; L365-L368 PolarHBondContact O-N 2.98Å; L365-C369 PolarHBondContact O-N 3.49Å; L365-C369 PolarHBondContact O-SG 3.18Å |
| 366 | R | 90.9 | Very high | 86 | Confident | 128 Ų | 128 | 56.4 Ų | 56.4 | 48% | 0.483 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 173.6 | -179.7 | -177.2 | -66.2 | 173 | -5.9 | 111.4 | L354 H362 G363 R364 L368 C369 D370 | L354-R366 HydrophobicContact CD2-CB 4.18Å; H362-R366 PolarHBondContact NE2-NH2 2.96Å; H362-R366 VanDerWaalsContact O-CB 3.29Å; H362-R366 WeakPolarHBondContact O-CB 3.36Å; H362-R366 PolarHBondContact O-N 3.33Å; G363-R366 PolarHBondContact O-N 2.95Å; R364-R366 VanDerWaalsContact C-N 3.33Å; R364-R366 PolarHBondContact O-N 3.38Å; R366-L368 VanDerWaalsContact C-N 3.3Å; R366-L368 PolarHBondContact O-N 3.06Å; R366-C369 WeakPolarHBondContact O-CB 3.19Å; R366-C369 PolarHBondContact O-N 3.36Å; R366-C369 VanDerWaalsContact O-N 3.15Å; R366-D370 VanDerWaalsContact O-CG 3.25Å; R366-D370 PolarHBondContact O-N 2.92Å |
| 367 | N | 91.3 | Very high | 86.5 | Confident | 29 Ų | 29 | 53.9 Ų | 53.9 | 16% | 0.155 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 177.7 | 177 | -111.1 | 0 | 0 | 0 | 111.8 | L290 R291 G363 R364 D370 V371 | L290-N367 WeakPolarHBondContact CA-OD1 3.42Å; R291-N367 PolarHBondContact N-OD1 3.45Å; R291-N367 PolarHBondContact O-OD1 2.78Å; G363-N367 PolarHBondContact O-N 2.88Å; R364-N367 PolarHBondContact O-N 3.25Å; N367-D370 PolarHBondContact O-N 3.17Å; N367-V371 WeakPolarHBondContact O-CG2 3.46Å; N367-V371 PolarHBondContact O-N 2.65Å |
| 368 | L | 91.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 175.7 | -177.9 | 57.6 | 0 | 0 | 0 | 111.9 | L290 A301 V317 V319 W323 L324 L332 R364 L365 R366 D370 V371 L372 | L290-L368 HydrophobicContact CD2-CD1 3.91Å; A301-L368 HydrophobicContact CB-CD1 4.46Å; V317-L368 HydrophobicContact CG1-CD1 4.08Å; V317-L368 HydrophobicContact CG1-CD2 4.44Å; V319-L368 HydrophobicContact CG2-CD1 4.41Å; V319-L368 HydrophobicContact CG2-CD2 3.94Å; W323-L368 HydrophobicContact CH2-CB 4.19Å; W323-L368 HydrophobicContact CZ3-CB 4.16Å; L324-L368 HydrophobicContact CD2-CD2 3.52Å; L332-L368 HydrophobicContact CD1-CB 4.5Å; L332-L368 HydrophobicContact CD1-CD2 3.48Å; L332-L368 VanDerWaalsContact CD1-CD2 3.48Å; L332-L368 HydrophobicContact CD1-CG 3.86Å; R364-L368 PolarHBondContact O-N 2.78Å; L365-L368 PolarHBondContact O-N 2.98Å; R366-L368 VanDerWaalsContact C-N 3.3Å; R366-L368 PolarHBondContact O-N 3.06Å; L368-D370 VanDerWaalsContact C-N 3.34Å; L368-D370 PolarHBondContact O-N 3.07Å; L368-V371 HydrophobicContact CD1-CG2 4.11Å; L368-V371 WeakPolarHBondContact O-CG2 3.13Å; L368-V371 PolarHBondContact O-N 2.79Å; L368-L372 HydrophobicContact CD1-CD1 4.21Å; L368-L372 HydrophobicContact CD1-CG 4.2Å; L368-L372 HydrophobicContact CG-CD1 4Å; L368-L372 HydrophobicContact CG-CG 4.45Å; L368-L372 WeakPolarHBondContact O-CB 2.88Å; L368-L372 VanDerWaalsContact O-CG 3.23Å; L368-L372 WeakPolarHBondContact O-CG 3.31Å; L368-L372 PolarHBondContact O-N 3.21Å |
| 369 | C | 93.4 | Very high | 87.9 | Confident | 4 Ų | 4 | 52.9 Ų | 52.9 | 3% | 0.027 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 174.9 | -68.3 | 0 | 0 | 0 | 0 | 112 | L332 L350 L354 L365 R366 V371 L372 V373 | L332-C369 VanDerWaalsContact CD2-SG 3.58Å; L350-C369 HydrophobicContact CB-CB 4.37Å; L350-C369 HydrophobicContact CD1-CB 4.07Å; L354-C369 HydrophobicContact CD1-CB 4.02Å; L365-C369 PolarHBondContact O-N 3.49Å; L365-C369 PolarHBondContact O-SG 3.18Å; R366-C369 WeakPolarHBondContact O-CB 3.19Å; R366-C369 PolarHBondContact O-N 3.36Å; R366-C369 VanDerWaalsContact O-N 3.15Å; C369-V371 PolarHBondContact O-N 3.07Å; C369-L372 PolarHBondContact O-N 3.45Å; C369-V373 WeakPolarHBondContact O-CB 3.12Å; C369-V373 VanDerWaalsContact O-CG2 3.24Å; C369-V373 WeakPolarHBondContact O-CG2 3.41Å; C369-V373 PolarHBondContact O-N 2.9Å |
| 370 | D | 92.5 | Very high | 89 | Confident | 94 Ų | 94 | 42 Ų | 42 | 50% | 0.503 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63 | -42.9 | -178.5 | -66.3 | -23.4 | 0 | 0 | 0 | 111.4 | R366 N367 L368 V373 A374 | R366-D370 VanDerWaalsContact O-CG 3.25Å; R366-D370 PolarHBondContact O-N 2.92Å; N367-D370 PolarHBondContact O-N 3.17Å; L368-D370 VanDerWaalsContact C-N 3.34Å; L368-D370 PolarHBondContact O-N 3.07Å; D370-V373 PolarHBondContact O-N 3.13Å; D370-A374 WeakPolarHBondContact O-CB 3.11Å; D370-A374 PolarHBondContact O-N 3.48Å |
| 371 | V | 92.2 | Very high | 89.9 | Confident | 28 Ų | 28 | 37.8 Ų | 37.8 | 17% | 0.17 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -71.8 | -33 | 178 | -60.5 | 0 | 0 | 0 | 0 | 112.7 | L288 L290 N367 L368 C369 A374 A375 | L288-V371 HydrophobicContact CB-CB 4.4Å; L288-V371 HydrophobicContact CB-CG2 4.07Å; L288-V371 HydrophobicContact CD1-CG2 4.03Å; L290-V371 HydrophobicContact CD2-CG2 4.1Å; N367-V371 WeakPolarHBondContact O-CG2 3.46Å; N367-V371 PolarHBondContact O-N 2.65Å; L368-V371 HydrophobicContact CD1-CG2 4.11Å; L368-V371 WeakPolarHBondContact O-CG2 3.13Å; L368-V371 PolarHBondContact O-N 2.79Å; C369-V371 PolarHBondContact O-N 3.07Å; V371-A374 PolarHBondContact O-N 3.03Å; V371-A375 WeakPolarHBondContact O-CB 3.45Å; V371-A375 PolarHBondContact O-N 3.11Å; V371-A375 VanDerWaalsContact O-N 3.09Å |
| 372 | L | 93.1 | Very high | 90.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.4 | -45.3 | 172.6 | -73.9 | 170.6 | 0 | 0 | 0 | 111.1 | L288 L303 V317 L332 L350 L368 C369 A374 A375 M376 | L288-L372 HydrophobicContact CD1-CD2 3.75Å; L288-L372 HydrophobicContact CD1-CG 4.3Å; L303-L372 HydrophobicContact CD1-CD2 3.68Å; L303-L372 HydrophobicContact CD2-CD2 4.16Å; L303-L372 HydrophobicContact CG-CD2 4.44Å; V317-L372 HydrophobicContact CG1-CD2 4.29Å; V317-L372 HydrophobicContact CG2-CD1 4.42Å; V317-L372 HydrophobicContact CG2-CD2 3.9Å; L332-L372 HydrophobicContact CB-CD1 4.41Å; L332-L372 HydrophobicContact CD1-CD1 4.19Å; L350-L372 HydrophobicContact CD1-CB 4.13Å; L350-L372 HydrophobicContact CD1-CD1 4.28Å; L368-L372 HydrophobicContact CD1-CD1 4.21Å; L368-L372 HydrophobicContact CD1-CG 4.2Å; L368-L372 HydrophobicContact CG-CD1 4Å; L368-L372 HydrophobicContact CG-CG 4.45Å; L368-L372 WeakPolarHBondContact O-CB 2.88Å; L368-L372 VanDerWaalsContact O-CG 3.23Å; L368-L372 WeakPolarHBondContact O-CG 3.31Å; L368-L372 PolarHBondContact O-N 3.21Å; C369-L372 PolarHBondContact O-N 3.45Å; L372-A374 VanDerWaalsContact C-N 3.27Å; L372-A374 PolarHBondContact O-N 2.68Å; L372-A375 PolarHBondContact O-N 2.72Å; L372-M376 WeakPolarHBondContact O-CG 3.25Å; L372-M376 PolarHBondContact O-N 2.87Å |
| 373 | V | 92.9 | Very high | 90.8 | Very high | 30 Ų | 30 | 37 Ų | 37 | 18% | 0.182 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -36.4 | 176.6 | 169.1 | 0 | 0 | 0 | 0 | 111.5 | P343 A346 A347 L350 C369 D370 | P343-V373 HydrophobicContact CB-CG1 3.88Å; A346-V373 HydrophobicContact CB-CG2 4.13Å; A347-V373 HydrophobicContact CB-CG1 4.26Å; A347-V373 HydrophobicContact CB-CG2 3.93Å; L350-V373 HydrophobicContact CD1-CG2 4.14Å; C369-V373 WeakPolarHBondContact O-CB 3.12Å; C369-V373 VanDerWaalsContact O-CG2 3.24Å; C369-V373 WeakPolarHBondContact O-CG2 3.41Å; C369-V373 PolarHBondContact O-N 2.9Å; D370-V373 PolarHBondContact O-N 3.13Å |
| 374 | A | 90 | Very high | 91.1 | Very high | 80 Ų | 80 | 37.9 Ų | 37.9 | 66% | 0.661 | 20% | 0.204 | S | C | * | . | H | α-helix | trans | -72.9 | -25.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | D370 V371 L372 | D370-A374 WeakPolarHBondContact O-CB 3.11Å; D370-A374 PolarHBondContact O-N 3.48Å; V371-A374 PolarHBondContact O-N 3.03Å; L372-A374 VanDerWaalsContact C-N 3.27Å; L372-A374 PolarHBondContact O-N 2.68Å |
| 375 | A | 88.9 | Confident | 91.2 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 12% | 0.124 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -80.9 | -18.6 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | L288 L303 V371 L372 | L288-A375 HydrophobicContact CD2-CB 3.88Å; L303-A375 HydrophobicContact CD2-CB 3.74Å; V371-A375 WeakPolarHBondContact O-CB 3.45Å; V371-A375 PolarHBondContact O-N 3.11Å; V371-A375 VanDerWaalsContact O-N 3.09Å; L372-A375 PolarHBondContact O-N 2.72Å |
| 376 | M | 87.5 | Confident | 91.3 | Very high | 17 Ų | 17 | 38.7 Ų | 38.7 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | trans | -92.8 | 0 | 176.1 | -60.4 | 178.8 | 69.3 | 0 | 0 | 111.7 | L305 V312 L336 F341 P343 A346 L372 | L305-M376 HydrophobicContact CD1-CG 4.41Å; V312-M376 HydrophobicContact CG2-CE 3.77Å; L336-M376 HydrophobicContact CD1-SD 4.11Å; L336-M376 HydrophobicContact CD2-CE 4.28Å; L336-M376 HydrophobicContact CD2-SD 3.96Å; F341-M376 HydrophobicContact CD2-CB 4.17Å; F341-M376 HydrophobicContact CD2-CE 3.73Å; F341-M376 HydrophobicContact CD2-CG 3.91Å; F341-M376 HydrophobicContact CE2-CB 3.9Å; F341-M376 HydrophobicContact CE2-CE 4.37Å; F341-M376 HydrophobicContact CE2-CG 3.57Å; F341-M376 HydrophobicContact CG-CE 4.49Å; F341-M376 HydrophobicContact CZ-CB 4.31Å; F341-M376 HydrophobicContact CZ-CG 4.36Å; P343-M376 WeakPolarHBondContact CG-OXT 3.25Å; A346-M376 HydrophobicContact CB-CE 3.84Å; A346-M376 HydrophobicContact CB-SD 3.41Å; A346-M376 WeakPolarHBondContact CB-SD 3.38Å; L372-M376 WeakPolarHBondContact O-CG 3.25Å; L372-M376 PolarHBondContact O-N 2.87Å |
Retrieved 376 of 376 residues in 452.6 ms
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