| 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 | 36 | Very low | 35.2 | Very low | 236 Ų | 236 | 152.6 Ų | 152.6 | 100% | 1.163 | 84% | 0.835 | S | S | * | * | 0 | 144 | 0 | -73.9 | -167.2 | 168.4 | 0 | 0 | 107.7 | |||||
| 2 | L | 35.1 | Very low | 34.6 | Very low | 173 Ų | 173 | 152.6 Ų | 152.6 | 91% | 0.906 | 83% | 0.833 | S | S | * | * | trans | 87.3 | 140.8 | -174.1 | -72.2 | 113.8 | 0 | 0 | 0 | 116.9 | ||||
| 3 | P | 40.4 | Very low | 34.1 | Very low | 113 Ų | 113 | 154.9 Ų | 154.9 | 73% | 0.734 | 83% | 0.831 | S | S | * | * | -120.4 | 165.6 | -129.6 | 27.3 | -6.6 | 0 | 0 | 0 | 114.5 | |||||
| 4 | S | 37.5 | Very low | 33.8 | Very low | 115 Ų | 115 | 150.2 Ų | 150.2 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -51.9 | 127.7 | -178.3 | -47.9 | 0 | 0 | 0 | 0 | 114.8 | L6 | S4-L6 PolarHBondContact O-N 3.17Š| ||
| 5 | L | 38.6 | Very low | 33.9 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -74.8 | 114.5 | 162.8 | -98.3 | 93.1 | 0 | 0 | 0 | 109.8 | ||||
| 6 | L | 36.3 | Very low | 34 | Very low | 157 Ų | 157 | 147.7 Ų | 147.7 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | trans | -82.8 | 113.9 | 162.6 | -104.1 | 128.5 | 0 | 0 | 0 | 108.9 | S4 L8 | S4-L6 PolarHBondContact O-N 3.17Å; L6-L8 PolarHBondContact O-N 3.03Å | ||
| 7 | F | 36.4 | Very low | 35.1 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -69 | 109.4 | 165.2 | -94.7 | -94.2 | 0 | 0 | 0 | 109.1 | L9 | F7-L9 PolarHBondContact O-N 2.9Š| ||
| 8 | L | 33.9 | Very low | 36.6 | Very low | 161 Ų | 161 | 137.9 Ų | 137.9 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -83.6 | 104 | 165 | -77.9 | 166.3 | 0 | 0 | 0 | 108.7 | L6 S10 | L6-L8 PolarHBondContact O-N 3.03Å; L8-S10 PolarHBondContact O-N 3.26Å | ||
| 9 | L | 32 | Very low | 38.4 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -66.1 | 104.5 | 163.4 | -82.1 | 149.8 | 0 | 0 | 0 | 108.8 | F7 V11 | F7-L9 PolarHBondContact O-N 2.9Å; L9-V11 PolarHBondContact O-N 2.86Å | ||
| 10 | S | 30.4 | Very low | 40.4 | Very low | 103 Ų | 103 | 131.4 Ų | 131.4 | 72% | 0.72 | 73% | 0.726 | S | S | * | * | trans | -75 | 104 | 166.2 | 57.2 | 0 | 0 | 0 | 0 | 109.2 | L8 N12 | L8-S10 PolarHBondContact O-N 3.26Å; S10-N12 PolarHBondContact O-N 3.12Å | ||
| 11 | V | 30.5 | Very low | 42.4 | Very low | 116 Ų | 116 | 130.5 Ų | 130.5 | 70% | 0.703 | 72% | 0.72 | S | S | * | * | trans | -73.2 | 108.4 | 169.1 | -179.5 | 0 | 0 | 0 | 0 | 108.1 | L9 F13 | L9-V11 PolarHBondContact O-N 2.86Å; V11-F13 PolarHBondContact O-N 2.91Å; V11-F13 VanDerWaalsContact O-N 3.11Å | ||
| 12 | N | 28.1 | Very low | 44.9 | Very low | 152 Ų | 152 | 119.9 Ų | 119.9 | 81% | 0.813 | 67% | 0.668 | S | S | * | * | trans | -67.7 | 102.5 | 170.4 | -83.8 | -50.6 | 0 | 0 | 0 | 109.4 | S10 A14 | S10-N12 PolarHBondContact O-N 3.12Å; N12-A14 PolarHBondContact O-N 3.34Å; N12-A14 VanDerWaalsContact O-N 3.08Å | ||
| 13 | F | 28.6 | Very low | 47.6 | Very low | 183 Ų | 183 | 112.2 Ų | 112.2 | 80% | 0.803 | 63% | 0.627 | S | S | * | * | trans | -70.6 | 95.5 | 162.9 | -90.7 | -89.2 | 0 | 0 | 0 | 108.8 | V11 L15 | V11-F13 PolarHBondContact O-N 2.91Å; V11-F13 VanDerWaalsContact O-N 3.11Å; F13-L15 PolarHBondContact O-N 3.19Å | ||
| 14 | A | 29.4 | Very low | 50.1 | Low | 89 Ų | 89 | 106.9 Ų | 106.9 | 74% | 0.736 | 59% | 0.593 | S | S | * | * | trans | -69 | 97.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | N12 N16 | N12-A14 PolarHBondContact O-N 3.34Å; N12-A14 VanDerWaalsContact O-N 3.08Å; A14-N16 PolarHBondContact O-N 3.48Å; A14-N16 VanDerWaalsContact O-N 3.07Å | ||
| 15 | L | 34.7 | Very low | 52.9 | Low | 92 Ų | 92 | 101.5 Ų | 101.5 | 48% | 0.482 | 56% | 0.555 | S | S | . | * | trans | -62.8 | 108.5 | 165.1 | -92.8 | 100 | 0 | 0 | 0 | 108.1 | F13 T17 P113 | F13-L15 PolarHBondContact O-N 3.19Å; L15-T17 PolarHBondContact O-N 2.7Å; L15-P113 HydrophobicContact CD2-CB 4.44Å | ||
| 16 | N | 35.4 | Very low | 55.5 | Low | 168 Ų | 168 | 94.3 Ų | 94.3 | 90% | 0.898 | 52% | 0.517 | S | S | * | . | trans | -60.6 | 83.5 | 162.4 | -88.8 | -15.7 | 0 | 0 | 0 | 108.9 | A14 A18 | A14-N16 PolarHBondContact O-N 3.48Å; A14-N16 VanDerWaalsContact O-N 3.07Å; N16-A18 PolarHBondContact O-N 2.93Å | ||
| 17 | T | 52.7 | Low | 58 | Low | 53 Ų | 53 | 87.2 Ų | 87.2 | 33% | 0.325 | 48% | 0.48 | S | S | . | . | trans | -77.7 | 114.3 | 165.4 | 33.7 | 0 | 0 | 0 | 0 | 106.5 | L15 C19 P113 | L15-T17 PolarHBondContact O-N 2.7Å; T17-C19 PolarHBondContact O-N 3.4Å; T17-P113 HydrophobicContact CG2-CB 4.2Å; T17-P113 HydrophobicContact CG2-CG 3.88Å | ||
| 18 | A | 63.7 | Low | 60.5 | Low | 67 Ų | 67 | 78.5 Ų | 78.5 | 55% | 0.554 | 44% | 0.442 | S | S | * | . | trans | -64.1 | 106.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 108.5 | N16 S111 | N16-A18 PolarHBondContact O-N 2.93Å; A18-S111 WeakPolarHBondContact CB-OG 3.38Å; A18-S111 PolarHBondContact N-OG 2.72Å; A18-S111 WeakPolarHBondContact O-CB 3.41Å; A18-S111 PolarHBondContact O-N 2.84Å; A18-S111 PolarHBondContact O-OG 2.81Å | ||
| 19 | C | 70.2 | Confident | 63.3 | Low | 60 Ų | 60 | 73.2 Ų | 73.2 | 41% | 0.405 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 137.5 | 175.9 | 179 | 0 | 0 | 0 | 0 | 109.4 | T17 C108 | T17-C19 PolarHBondContact O-N 3.4Å; C19-C108 HydrophobicContact CB-CB 4.41Å; C19-C108 WeakPolarHBondContact CB-SG 3.06Å; C19-C108 WeakPolarHBondContact SG-CA 3.49Å; C19-C108 WeakPolarHBondContact SG-CB 3.35Å; C19-C108 CovalentContact SG-SG 2Å; C19-C108 PolarHBondContact SG-SG 3.24Å |
| 20 | R | 78.2 | Confident | 66.1 | Low | 84 Ų | 84 | 66.6 Ų | 66.6 | 32% | 0.317 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120 | 164.8 | -179 | -171.7 | 174.2 | 130.5 | 14.2 | 109.1 | D22 L109 V127 S129 | R20-D22 PolarHBondContact O-N 3.15Å; R20-L109 PolarHBondContact N-O 2.87Å; R20-L109 PolarHBondContact O-N 2.63Å; R20-V127 PolarHBondContact NH1-O 2.92Å; R20-V127 VanDerWaalsContact NH1-O 3.09Å; R20-S129 VanDerWaalsContact CZ-CA 3.43Å; R20-S129 VanDerWaalsContact NH1-CB 3.26Å; R20-S129 VanDerWaalsContact NH2-CA 3.3Å; R20-S129 VanDerWaalsContact NH2-CB 3.26Å; R20-S129 PolarHBondContact NH2-OG 2.82Å |
| 21 | D | 81.5 | Confident | 68.8 | Low | 114 Ų | 114 | 62 Ų | 62 | 61% | 0.61 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 131 | 172.8 | -66.9 | -15.3 | 0 | 0 | 0 | 110.4 | ||
| 22 | D | 89 | Confident | 71.3 | Confident | 13 Ų | 13 | 58.5 Ų | 58.5 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 176.2 | 173.3 | -120.3 | -47.7 | 0 | 0 | 0 | 108 | R20 K106 T107 L109 R135 | R20-D22 PolarHBondContact O-N 3.15Å; D22-K106 CarbonylContact O-C 3.48Å; D22-K106 WeakPolarHBondContact O-CA 3.38Å; D22-T107 HydrophobicContact CB-CG2 4.06Å; D22-T107 PolarHBondContact N-O 3.11Å; D22-T107 PolarHBondContact O-N 3.41Å; D22-L109 HydrophobicContact CB-CD1 3.84Å; D22-L109 HydrophobicContact CB-CG 4.15Å; D22-L109 VanDerWaalsContact OD2-CD1 3.27Å; D22-L109 WeakPolarHBondContact OD2-CD1 3.3Å; D22-R135 IonicContact OD2-CZ 3.78Å; D22-R135 VanDerWaalsContact OD2-CZ 3.29Å; D22-R135 IonicContact OD2-NE 3.21Å; D22-R135 PolarHBondContact OD2-NE 2.64Å; D22-R135 IonicContact OD2-NH2 2.9Å; D22-R135 PolarHBondContact OD2-NH2 3.5Å |
| 23 | F | 92.4 | Very high | 73.1 | Confident | 12 Ų | 12 | 57.1 Ų | 57.1 | 5% | 0.053 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 153.1 | 172.3 | -74.8 | -99.5 | 0 | 0 | 0 | 112.1 | H56 Q60 Y68 F104 R105 K106 M133 W134 R135 | F23-H56 AromaticContact CD2-CE1 3.53Å; F23-H56 AromaticContact CE2-CE1 3.58Å; F23-Q60 HydrophobicContact CE2-CB 4.21Å; F23-Q60 HydrophobicContact CE2-CG 4.44Å; F23-Q60 HydrophobicContact CZ-CB 4.45Å; F23-Y68 HydrophobicContact CD1-CD1 4.43Å; F23-Y68 AromaticContact CD1-CE1 3.79Å; F23-Y68 HydrophobicContact CD1-CE1 3.79Å; F23-Y68 AromaticContact CE1-CD1 3.86Å; F23-Y68 HydrophobicContact CE1-CD1 3.86Å; F23-Y68 AromaticContact CE1-CE1 3.5Å; F23-Y68 HydrophobicContact CE1-CE1 3.5Å; F23-Y68 HydrophobicContact CZ-CE1 4.21Å; F23-F104 HydrophobicContact CD1-CB 4.31Å; F23-R105 CarbonylContact C-O 3.45Å; F23-R105 VanDerWaalsContact CA-O 3.26Å; F23-R105 WeakPolarHBondContact CA-O 3.44Å; F23-R105 WeakPolarHBondContact CD1-O 3.49Å; F23-K106 HydrophobicContact CD1-CG 3.97Å; F23-K106 HydrophobicContact CE1-CB 4.37Å; F23-K106 HydrophobicContact CE1-CD 4.39Å; F23-K106 HydrophobicContact CE1-CG 3.33Å; F23-K106 HydrophobicContact CE2-CG 3.96Å; F23-K106 HydrophobicContact CZ-CD 4.02Å; F23-K106 HydrophobicContact CZ-CG 3.36Å; F23-M133 WeakPolarHBondContact CB-O 3.43Å; F23-W134 HydrophobicContact CB-CB 3.83Å; F23-W134 CarbonylContact O-C 3.52Å; F23-W134 WeakPolarHBondContact O-CA 3.39Å; F23-W134 VanDerWaalsContact O-CB 3.3Å; F23-W134 WeakPolarHBondContact O-CB 3.33Å; F23-R135 PolarHBondContact O-N 2.75Å |
| 24 | E | 93.6 | Very high | 74.6 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 148.5 | 168.9 | 57.1 | 176.9 | -175.9 | 0 | 0 | 110.2 | F26 F104 R105 Y136 V138 M158 | E24-F26 VanDerWaalsContact CD-CE2 3.43Å; E24-F26 HydrophobicContact CG-CD2 4.47Å; E24-F26 HydrophobicContact CG-CE2 3.71Å; E24-F26 HydrophobicContact CG-CZ 4.43Å; E24-F26 VanDerWaalsContact OE1-CE2 3.27Å; E24-F26 WeakPolarHBondContact OE1-CE2 3.49Å; E24-F26 WeakPolarHBondContact OE1-CZ 3.3Å; E24-F104 CarbonylContact O-C 3.56Å; E24-F104 VanDerWaalsContact O-CA 3.23Å; E24-F104 WeakPolarHBondContact O-CA 3.35Å; E24-R105 HydrophobicContact CG-CB 3.84Å; E24-R105 HydrophobicContact CG-CG 4.26Å; E24-R105 WeakPolarHBondContact CG-O 3.27Å; E24-R105 PolarHBondContact N-O 2.93Å; E24-R105 PolarHBondContact O-N 3.34Å; E24-R105 WeakPolarHBondContact OE1-CD 3.23Å; E24-R105 WeakPolarHBondContact OE1-CG 3.19Å; E24-R105 IonicContact OE1-CZ 2.68Å; E24-R105 IonicContact OE1-NE 3.04Å; E24-R105 IonicContact OE1-NH1 3.97Å; E24-R105 PolarHBondContact OE1-NH1 3.14Å; E24-Y136 CarbonylContact C-O 3.55Å; E24-Y136 WeakPolarHBondContact CA-O 3.46Å; E24-V138 HydrophobicContact CB-CG2 3.88Å; E24-M158 WeakPolarHBondContact OE2-CE 3.4Å |
| 25 | R | 94.4 | Very high | 75.9 | Confident | 3 Ų | 3 | 62.5 Ų | 62.5 | 1% | 0.011 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 113.4 | -175.1 | -176.7 | 176.3 | 74.6 | 144.1 | 2.8 | 110.8 | I102 V103 F104 W134 Y136 D137 V138 D275 | R25-I102 HydrophobicContact CG-CG2 3.54Å; R25-V103 CarbonylContact C-O 3.58Å; R25-V103 WeakPolarHBondContact CA-O 3.47Å; R25-F104 HydrophobicContact CB-CD1 3.92Å; R25-F104 HydrophobicContact CB-CE1 3.76Å; R25-F104 HydrophobicContact CB-CZ 4.46Å; R25-F104 VanDerWaalsContact CD-CE1 3.45Å; R25-F104 VanDerWaalsContact CD-CZ 3.48Å; R25-F104 HydrophobicContact CG-CD1 4.01Å; R25-F104 HydrophobicContact CG-CE1 3.51Å; R25-F104 HydrophobicContact CG-CE2 4.36Å; R25-F104 HydrophobicContact CG-CZ 3.71Å; R25-W134 HydrophobicContact CB-CD2 4.4Å; R25-W134 HydrophobicContact CB-CG 3.99Å; R25-Y136 PolarHBondContact N-O 3.21Å; R25-D137 IonicContact CZ-OD1 2.64Å; R25-D137 IonicContact CZ-OD2 3.92Å; R25-D137 IonicContact NE-OD1 2.81Å; R25-D137 PolarHBondContact NE-OD1 2.81Å; R25-D137 IonicContact NE-OD2 3.28Å; R25-D137 IonicContact NH2-OD1 2.88Å; R25-D137 PolarHBondContact NH2-OD1 3.22Å; R25-D137 IonicContact NH2-OD2 3.41Å; R25-D137 PolarHBondContact NH2-OD2 3.08Å; R25-D137 WeakPolarHBondContact O-CA 3.41Å; R25-V138 PolarHBondContact O-N 3.47Å; R25-D275 IonicContact CZ-OD1 2.77Å; R25-D275 IonicContact NH1-OD1 2.71Å; R25-D275 PolarHBondContact NH1-OD1 3.49Å; R25-D275 IonicContact NH1-OD2 2.79Å; R25-D275 IonicContact NH2-OD1 3.29Å; R25-D275 PolarHBondContact NH2-OD1 3.21Å |
| 26 | F | 94 | Very high | 77.2 | Confident | 7 Ų | 7 | 59.3 Ų | 59.3 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 123 | 172.6 | -62.2 | -102 | 0 | 0 | 0 | 109.9 | E24 Y29 F91 L95 I102 V103 R105 V138 M158 | E24-F26 VanDerWaalsContact CD-CE2 3.43Å; E24-F26 HydrophobicContact CG-CD2 4.47Å; E24-F26 HydrophobicContact CG-CE2 3.71Å; E24-F26 HydrophobicContact CG-CZ 4.43Å; E24-F26 VanDerWaalsContact OE1-CE2 3.27Å; E24-F26 WeakPolarHBondContact OE1-CE2 3.49Å; E24-F26 WeakPolarHBondContact OE1-CZ 3.3Å; F26-Y29 HydrophobicContact CB-CD2 4.15Å; F26-F91 HydrophobicContact CD2-CE1 4.16Å; F26-F91 HydrophobicContact CE2-CD1 4.27Å; F26-F91 AromaticContact CE2-CE1 3.68Å; F26-F91 HydrophobicContact CE2-CE1 3.68Å; F26-F91 HydrophobicContact CZ-CD1 4.11Å; F26-F91 AromaticContact CZ-CE1 3.92Å; F26-F91 HydrophobicContact CZ-CE1 3.92Å; F26-L95 HydrophobicContact CD1-CD1 3.53Å; F26-L95 HydrophobicContact CE1-CD1 3.67Å; F26-L95 HydrophobicContact CG-CD1 4.22Å; F26-L95 HydrophobicContact CZ-CD1 4.46Å; F26-I102 WeakPolarHBondContact O-CG2 3.4Å; F26-V103 HydrophobicContact CB-CB 4.18Å; F26-V103 HydrophobicContact CD2-CG1 4.49Å; F26-V103 PolarHBondContact N-O 2.99Å; F26-V103 PolarHBondContact O-N 3.03Å; F26-R105 HydrophobicContact CE2-CB 4.22Å; F26-V138 HydrophobicContact CD1-CB 3.8Å; F26-V138 HydrophobicContact CD1-CG1 3.72Å; F26-V138 HydrophobicContact CE1-CB 3.74Å; F26-V138 HydrophobicContact CE1-CG1 3.32Å; F26-V138 HydrophobicContact CE1-CG2 4.34Å; F26-V138 HydrophobicContact CE2-CB 4.46Å; F26-V138 HydrophobicContact CE2-CG2 4.41Å; F26-V138 HydrophobicContact CG-CB 4.19Å; F26-V138 HydrophobicContact CZ-CB 4.07Å; F26-V138 HydrophobicContact CZ-CG1 3.91Å; F26-V138 HydrophobicContact CZ-CG2 4.17Å; F26-M158 HydrophobicContact CZ-CE 4.47Å |
| 27 | I | 88.8 | Confident | 78.8 | Confident | 9 Ų | 9 | 52.4 Ų | 52.4 | 5% | 0.046 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 127.6 | -175.1 | -63.3 | 145.8 | 0 | 0 | 0 | 109.5 | Y29 D137 V139 I279 L282 L283 | I27-Y29 WeakPolarHBondContact O-CD2 3.29Å; I27-Y29 VanDerWaalsContact O-CE2 3.3Å; I27-Y29 WeakPolarHBondContact O-CE2 3.43Å; I27-D137 HydrophobicContact CD1-CB 4.28Å; I27-V139 HydrophobicContact CD1-CG2 4.47Å; I27-I279 HydrophobicContact CD1-CD1 3.53Å; I27-I279 HydrophobicContact CG1-CD1 4.45Å; I27-I279 HydrophobicContact CG2-CG2 4.11Å; I27-L282 HydrophobicContact CD1-CD1 4.43Å; I27-L282 HydrophobicContact CG2-CB 4.21Å; I27-L283 HydrophobicContact CG2-CD1 4.08Å; I27-L283 HydrophobicContact CG2-CD2 3.78Å; I27-L283 HydrophobicContact CG2-CG 3.91Å |
| 28 | G | 89.5 | Confident | 79.9 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 2% | 0.021 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 82.1 | 30.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | D98 S101 | G28-D98 CarbonylContact C-O 3.58Å; G28-D98 VanDerWaalsContact CA-O 3.28Å; G28-D98 WeakPolarHBondContact CA-O 3.25Å; G28-D98 CarbonylContact O-C 3.6Å; G28-D98 PolarHBondContact O-N 2.9Å; G28-S101 PolarHBondContact N-O 3.49Å |
| 29 | Y | 92.4 | Very high | 80.9 | Confident | 49 Ų | 49 | 56 Ų | 56 | 19% | 0.192 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.9 | -179.2 | -65 | -84.7 | 0 | 0 | 0 | 111.7 | F26 I27 L95 K96 D98 S101 V103 P140 | F26-Y29 HydrophobicContact CB-CD2 4.15Å; I27-Y29 WeakPolarHBondContact O-CD2 3.29Å; I27-Y29 VanDerWaalsContact O-CE2 3.3Å; I27-Y29 WeakPolarHBondContact O-CE2 3.43Å; Y29-L95 HydrophobicContact CD1-CB 3.86Å; Y29-L95 HydrophobicContact CE1-CB 4.49Å; Y29-L95 HydrophobicContact CG-CB 4.39Å; Y29-K96 CarbonylContact C-O 3.56Å; Y29-K96 VanDerWaalsContact CA-O 3.26Å; Y29-K96 WeakPolarHBondContact CA-O 3.31Å; Y29-D98 PolarHBondContact N-O 2.75Å; Y29-S101 PolarHBondContact N-O 2.83Å; Y29-S101 CarbonylContact O-C 3.58Å; Y29-S101 VanDerWaalsContact O-C 3.28Å; Y29-S101 WeakPolarHBondContact O-CB 3.48Å; Y29-V103 WeakPolarHBondContact O-CG2 3.43Å; Y29-P140 HydrophobicContact CE2-CG 3.91Å |
| 30 | T | 90.8 | Very high | 81.6 | Confident | 23 Ų | 23 | 54.8 Ų | 54.8 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 178.1 | 165.1 | -166 | 0 | 0 | 0 | 0 | 109.6 | L95 K96 D98 | T30-L95 WeakPolarHBondContact O-CA 3.13Å; T30-K96 HydrophobicContact CG2-CB 4.02Å; T30-K96 HydrophobicContact CG2-CD 4.33Å; T30-K96 HydrophobicContact CG2-CG 4.45Å; T30-K96 PolarHBondContact N-O 2.88Å; T30-K96 PolarHBondContact O-N 2.85Å; T30-D98 HydrophobicContact CG2-CB 3.62Å |
| 31 | I | 86.9 | Confident | 81.9 | Confident | 6 Ų | 6 | 55.9 Ų | 55.9 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 138 | 177.3 | -54.3 | 176.8 | 0 | 0 | 0 | 109.3 | D33 V67 T69 Y80 V103 | I31-D33 PolarHBondContact O-N 3.4Å; I31-V67 HydrophobicContact CD1-CB 4.04Å; I31-V67 HydrophobicContact CD1-CG1 3.49Å; I31-V67 VanDerWaalsContact CD1-CG1 3.49Å; I31-V67 HydrophobicContact CG1-CG1 4.42Å; I31-T69 HydrophobicContact CD1-CG2 3.88Å; I31-T69 HydrophobicContact CG1-CG2 3.79Å; I31-Y80 HydrophobicContact CD1-CD1 4.43Å; I31-Y80 HydrophobicContact CD1-CD2 3.62Å; I31-Y80 HydrophobicContact CD1-CE2 3.94Å; I31-Y80 HydrophobicContact CD1-CG 3.9Å; I31-V103 HydrophobicContact CG1-CG1 4.44Å; I31-V103 HydrophobicContact CG1-CG2 4.36Å |
| 32 | A | 82.3 | Confident | 82.1 | Confident | 43 Ų | 43 | 56 Ų | 56 | 36% | 0.355 | 27% | 0.267 | S | S | . | . | trans | -74.4 | 120.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | R34 H94 | A32-R34 PolarHBondContact O-N 3.1Å; A32-H94 PolarHBondContact N-O 2.97Å | ||
| 33 | D | 65.7 | Low | 81.8 | Confident | 122 Ų | 122 | 58.1 Ų | 58.1 | 65% | 0.652 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -1.4 | -167.6 | -76.5 | -32.7 | 0 | 0 | 0 | 117.8 | I31 | I31-D33 PolarHBondContact O-N 3.4Š|
| 34 | R | 60.7 | Low | 81.2 | Confident | 224 Ų | 224 | 64 Ų | 64 | 85% | 0.845 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -10.2 | -150 | -81 | -168.8 | 177.5 | 174.2 | 0.3 | 121.5 | A32 | A32-R34 PolarHBondContact O-N 3.1Š|
| 35 | L | 56.9 | Low | 80.1 | Confident | 162 Ų | 162 | 65.8 Ų | 65.8 | 85% | 0.848 | 31% | 0.314 | S | S | * | . | S | Bend | trans | -145.9 | -13.9 | -176 | -71.3 | 171.6 | 0 | 0 | 0 | 117.7 | ||
| 36 | V | 61.3 | Low | 78.4 | Confident | 24 Ų | 24 | 75.2 Ų | 75.2 | 15% | 0.145 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -142 | -6.7 | -161.5 | -173.3 | 0 | 0 | 0 | 0 | 115.2 | Y82 L83 H94 | V36-Y82 HydrophobicContact CB-CE2 4.29Å; V36-Y82 HydrophobicContact CG1-CD2 4.11Å; V36-Y82 HydrophobicContact CG1-CE1 4.42Å; V36-Y82 HydrophobicContact CG1-CE2 3.61Å; V36-L83 HydrophobicContact CG1-CB 4.4Å; V36-L83 VanDerWaalsContact O-CB 3.25Å; V36-L83 WeakPolarHBondContact O-CB 3.27Å; V36-L83 WeakPolarHBondContact O-CG 3.25Å; V36-L83 PolarHBondContact O-N 2.73Å; V36-H94 VanDerWaalsContact CG2-CE1 3.45Å; V36-H94 WeakPolarHBondContact CG2-CE1 3.43Å; V36-H94 WeakPolarHBondContact CG2-NE2 3.2Å |
| 37 | S | 69.6 | Low | 76.3 | Confident | 24 Ų | 24 | 81 Ų | 81 | 17% | 0.168 | 39% | 0.391 | C | S | . | . | trans | -127.9 | 143.8 | 177.5 | 48.1 | 0 | 0 | 0 | 0 | 110.9 | S81 | S37-S81 VanDerWaalsContact CA-O 3.26Å; S37-S81 WeakPolarHBondContact CA-O 3.41Å; S37-S81 WeakPolarHBondContact CB-O 3.18Å | ||
| 38 | Y | 77.1 | Confident | 74.7 | Confident | 110 Ų | 110 | 83.2 Ų | 83.2 | 43% | 0.431 | 42% | 0.416 | S | S | . | . | trans | -110.5 | 137.8 | 164.2 | 62.8 | -101.5 | 0 | 0 | 0 | 109.2 | I40 Y80 S81 L83 | Y38-I40 HydrophobicContact CD2-CG1 4.07Å; Y38-I40 HydrophobicContact CE2-CG1 3.71Å; Y38-I40 PolarHBondContact O-N 2.94Å; Y38-Y80 WeakPolarHBondContact O-CA 3.37Å; Y38-S81 WeakPolarHBondContact CD1-OG 3.45Å; Y38-S81 WeakPolarHBondContact CD2-OG 3.34Å; Y38-S81 VanDerWaalsContact CE1-CB 3.4Å; Y38-S81 WeakPolarHBondContact CE1-OG 3.33Å; Y38-S81 WeakPolarHBondContact CE2-OG 3.22Å; Y38-S81 PolarHBondContact N-OG 3.16Å; Y38-S81 PolarHBondContact O-N 3.48Å; Y38-S81 PolarHBondContact O-OG 2.84Å; Y38-S81 WeakPolarHBondContact OH-CB 3.4Å; Y38-L83 HydrophobicContact CD1-CD2 4.21Å; Y38-L83 HydrophobicContact CD1-CG 4.41Å; Y38-L83 HydrophobicContact CE1-CD2 4.06Å | ||
| 39 | I | 82.8 | Confident | 73 | Confident | 84 Ų | 84 | 88.9 Ų | 88.9 | 43% | 0.431 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 118.6 | 174.7 | -62.9 | 170.5 | 0 | 0 | 0 | 107.4 | Q42 Q79 Y80 | I39-Q42 HydrophobicContact CG2-CB 4.17Å; I39-Q79 CarbonylContact C-O 3.58Å; I39-Q79 WeakPolarHBondContact CA-O 3.47Å; I39-Y80 HydrophobicContact CD1-CE1 4.25Å; I39-Y80 HydrophobicContact CG1-CD1 3.87Å; I39-Y80 HydrophobicContact CG1-CE1 3.48Å; I39-Y80 VanDerWaalsContact CG1-CE1 3.48Å |
| 40 | I | 85.2 | Confident | 71.7 | Confident | 36 Ų | 36 | 88.5 Ų | 88.5 | 19% | 0.185 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | -42.7 | 174.1 | -61.7 | 163 | 0 | 0 | 0 | 109.4 | Y38 R64 C65 Q79 | Y38-I40 HydrophobicContact CD2-CG1 4.07Å; Y38-I40 HydrophobicContact CE2-CG1 3.71Å; Y38-I40 PolarHBondContact O-N 2.94Å; I40-R64 VanDerWaalsContact CD1-C 3.43Å; I40-R64 HydrophobicContact CD1-CB 3.83Å; I40-R64 VanDerWaalsContact CD1-O 3.32Å; I40-R64 WeakPolarHBondContact CD1-O 2.99Å; I40-C65 HydrophobicContact CD1-CB 4.02Å; I40-Q79 PolarHBondContact N-O 2.88Å |
| 41 | R | 86 | Confident | 71 | Confident | 106 Ų | 106 | 88.7 Ų | 88.7 | 40% | 0.4 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.7 | 139.1 | -172.3 | -167.3 | 177.2 | -176.9 | 169.5 | -1.4 | 109.3 | E43 S58 Q79 | R41-E43 HydrophobicContact CG-CG 3.94Å; R41-E43 IonicContact CZ-OE1 2.77Å; R41-E43 IonicContact CZ-OE2 3.43Å; R41-E43 IonicContact NE-OE1 3.53Å; R41-E43 PolarHBondContact NE-OE1 2.88Å; R41-E43 IonicContact NE-OE2 2.71Å; R41-E43 IonicContact NH2-OE1 3.69Å; R41-E43 PolarHBondContact NH2-OE1 2.94Å; R41-E43 IonicContact NH2-OE2 2.9Å; R41-S58 PolarHBondContact NH1-OG 3.15Å; R41-Q79 HydrophobicContact CB-CB 4.18Å; R41-Q79 PolarHBondContact N-O 3.5Å; R41-Q79 PolarHBondContact O-N 2.89Å |
| 42 | Q | 85.2 | Confident | 70.8 | Confident | 116 Ų | 116 | 89.5 Ų | 89.5 | 54% | 0.542 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 127.3 | 170.9 | -172.4 | 175.3 | 10.8 | 0 | 0 | 109.1 | I39 C77 A78 | I39-Q42 HydrophobicContact CG2-CB 4.17Å; Q42-C77 CarbonylContact C-O 3.51Å; Q42-C77 WeakPolarHBondContact CA-O 3.18Å; Q42-A78 HydrophobicContact CG-CB 4.28Å |
| 43 | E | 83.1 | Confident | 70.8 | Confident | 58 Ų | 58 | 90.5 Ų | 90.5 | 27% | 0.271 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 135.6 | -176.7 | -52.9 | -158.8 | 132.1 | 0 | 0 | 110.4 | R41 E76 C77 | R41-E43 HydrophobicContact CG-CG 3.94Å; R41-E43 IonicContact CZ-OE1 2.77Å; R41-E43 IonicContact CZ-OE2 3.43Å; R41-E43 IonicContact NE-OE1 3.53Å; R41-E43 PolarHBondContact NE-OE1 2.88Å; R41-E43 IonicContact NE-OE2 2.71Å; R41-E43 IonicContact NH2-OE1 3.69Å; R41-E43 PolarHBondContact NH2-OE1 2.94Å; R41-E43 IonicContact NH2-OE2 2.9Å; E43-E76 WeakPolarHBondContact O-CA 3.46Å; E43-C77 PolarHBondContact N-O 3.06Å; E43-C77 PolarHBondContact O-N 3.43Å |
| 44 | K | 79.6 | Confident | 71.7 | Confident | 137 Ų | 137 | 87.5 Ų | 87.5 | 60% | 0.596 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 137.1 | 163.2 | -51.6 | -151.8 | -178.3 | -159.9 | 0 | 108.1 | K46 E76 | K44-K46 PolarHBondContact O-N 3.15Å; K44-E76 HydrophobicContact CB-CG 4.35Å; K44-E76 HydrophobicContact CD-CG 3.95Å; K44-E76 VanDerWaalsContact CD-OE1 3.31Å; K44-E76 WeakPolarHBondContact CD-OE1 3.05Å; K44-E76 WeakPolarHBondContact CE-OE1 3.41Å; K44-E76 HydrophobicContact CG-CG 3.69Å; K44-E76 IonicContact NZ-OE1 2.7Å; K44-E76 PolarHBondContact NZ-OE1 2.82Å |
| 45 | S | 69.3 | Low | 73 | Confident | 37 Ų | 37 | 76.9 Ų | 76.9 | 26% | 0.259 | 39% | 0.393 | S | S | . | . | trans | -54.5 | 115.6 | 172.6 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | F51 L75 | S45-F51 VanDerWaalsContact CB-CD2 3.46Å; S45-L75 PolarHBondContact N-O 3.1Å | ||
| 46 | K | 58.4 | Low | 74.6 | Confident | 200 Ų | 200 | 69.6 Ų | 69.6 | 87% | 0.87 | 36% | 0.355 | S | S | * | . | trans | -85 | -33.8 | -179.7 | -72.3 | -172.6 | 178.4 | 179.2 | 0 | 112.5 | K44 | K44-K46 PolarHBondContact O-N 3.15Š| ||
| 47 | V | 51.1 | Low | 76 | Confident | 128 Ų | 128 | 72.9 Ų | 72.9 | 78% | 0.776 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -160.6 | 146.9 | -176.6 | -173.3 | 0 | 0 | 0 | 0 | 108.9 | ||
| 48 | G | 53.9 | Low | 77 | Confident | 57 Ų | 57 | 72.8 Ų | 72.8 | 59% | 0.588 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -56.8 | 165.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 49 | N | 54.4 | Low | 77.7 | Confident | 120 Ų | 120 | 67.6 Ų | 67.6 | 64% | 0.642 | 35% | 0.347 | S | S | * | . | S | Bend | trans | 85.8 | 100.6 | -160.6 | -67.9 | -19.4 | 0 | 0 | 0 | 113.8 | F51 Q237 | N49-F51 PolarHBondContact O-N 3.24Å; N49-Q237 PolarHBondContact OD1-NE2 3.29Å |
| 50 | D | 66.2 | Low | 78.1 | Confident | 42 Ų | 42 | 68.7 Ų | 68.7 | 23% | 0.225 | 35% | 0.351 | C | S | . | . | trans | 66.2 | 31.5 | 153.7 | -136.7 | 4.6 | 0 | 0 | 0 | 118.1 | F52 R53 S54 | D50-F52 PolarHBondContact O-N 2.81Å; D50-F52 VanDerWaalsContact O-N 3.15Å; D50-R53 HydrophobicContact CB-CB 4.21Å; D50-R53 VanDerWaalsContact CG-CZ 3.47Å; D50-R53 PolarHBondContact O-N 3.49Å; D50-R53 WeakPolarHBondContact OD1-CB 3.14Å; D50-R53 IonicContact OD1-CZ 2.72Å; D50-R53 IonicContact OD1-NE 3.54Å; D50-R53 PolarHBondContact OD1-NE 3.47Å; D50-R53 IonicContact OD1-NH2 3.67Å; D50-R53 WeakPolarHBondContact OD2-CB 3.09Å; D50-R53 WeakPolarHBondContact OD2-CD 3.45Å; D50-R53 IonicContact OD2-CZ 2.93Å; D50-R53 IonicContact OD2-NE 2.73Å; D50-R53 PolarHBondContact OD2-NE 3.25Å; D50-R53 IonicContact OD2-NH1 3.71Å; D50-R53 PolarHBondContact OD2-NH1 3.23Å; D50-R53 IonicContact OD2-NH2 2.71Å; D50-R53 PolarHBondContact OD2-NH2 2.97Å; D50-S54 PolarHBondContact O-N 3.3Å | ||
| 51 | F | 75.6 | Confident | 78.4 | Confident | 27 Ų | 27 | 73.3 Ų | 73.3 | 12% | 0.118 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -45.9 | -45.2 | 176.5 | 170.5 | -110 | 0 | 0 | 0 | 113.6 | S45 N49 S54 C55 L70 L75 C77 | S45-F51 VanDerWaalsContact CB-CD2 3.46Å; N49-F51 PolarHBondContact O-N 3.24Å; F51-S54 PolarHBondContact O-N 3.23Å; F51-C55 PolarHBondContact O-N 3.24Å; F51-L70 HydrophobicContact CE1-CD2 4.16Å; F51-L75 HydrophobicContact CD1-CB 4.46Å; F51-L75 HydrophobicContact CE1-CB 4.3Å; F51-L75 WeakPolarHBondContact CZ-O 3.16Å; F51-C77 HydrophobicContact CE1-CB 4.39Å; F51-C77 HydrophobicContact CE2-CB 3.94Å; F51-C77 HydrophobicContact CZ-CB 3.51Å |
| 52 | F | 81.6 | Confident | 78.6 | Confident | 22 Ų | 22 | 69.9 Ų | 69.9 | 10% | 0.096 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -61.8 | -45.6 | 178.6 | -74.2 | -111.6 | 0 | 0 | 0 | 111.5 | D50 C55 H56 L70 L72 L75 P235 | D50-F52 PolarHBondContact O-N 2.81Å; D50-F52 VanDerWaalsContact O-N 3.15Å; F52-C55 PolarHBondContact O-N 3.3Å; F52-H56 WeakPolarHBondContact O-CB 3.28Å; F52-H56 PolarHBondContact O-N 2.89Å; F52-L70 HydrophobicContact CB-CD1 4.39Å; F52-L70 HydrophobicContact CD1-CD1 3.12Å; F52-L70 HydrophobicContact CD1-CG 4.41Å; F52-L70 HydrophobicContact CE1-CB 4.31Å; F52-L70 HydrophobicContact CE1-CD1 3.44Å; F52-L70 VanDerWaalsContact CE1-CD1 3.44Å; F52-L70 HydrophobicContact CE1-CG 4.45Å; F52-L70 HydrophobicContact CG-CD1 3.95Å; F52-L70 HydrophobicContact CZ-CD1 4.48Å; F52-L72 HydrophobicContact CE1-CD2 4.42Å; F52-L72 HydrophobicContact CZ-CD2 4.3Å; F52-L75 HydrophobicContact CE2-CD2 4.5Å; F52-P235 HydrophobicContact CB-CB 3.56Å; F52-P235 HydrophobicContact CD1-CB 3.96Å; F52-P235 HydrophobicContact CD2-CB 4.21Å; F52-P235 HydrophobicContact CG-CB 3.66Å |
| 53 | R | 82.2 | Confident | 78.7 | Confident | 64 Ų | 64 | 69.3 Ų | 69.3 | 24% | 0.242 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -68.4 | -38.7 | 179.1 | -169.7 | -177.3 | -55.9 | 164.1 | 4.6 | 111.9 | D50 H56 Q57 M133 | D50-R53 HydrophobicContact CB-CB 4.21Å; D50-R53 VanDerWaalsContact CG-CZ 3.47Å; D50-R53 PolarHBondContact O-N 3.49Å; D50-R53 WeakPolarHBondContact OD1-CB 3.14Å; D50-R53 IonicContact OD1-CZ 2.72Å; D50-R53 IonicContact OD1-NE 3.54Å; D50-R53 PolarHBondContact OD1-NE 3.47Å; D50-R53 IonicContact OD1-NH2 3.67Å; D50-R53 WeakPolarHBondContact OD2-CB 3.09Å; D50-R53 WeakPolarHBondContact OD2-CD 3.45Å; D50-R53 IonicContact OD2-CZ 2.93Å; D50-R53 IonicContact OD2-NE 2.73Å; D50-R53 PolarHBondContact OD2-NE 3.25Å; D50-R53 IonicContact OD2-NH1 3.71Å; D50-R53 PolarHBondContact OD2-NH1 3.23Å; D50-R53 IonicContact OD2-NH2 2.71Å; D50-R53 PolarHBondContact OD2-NH2 2.97Å; R53-H56 PolarHBondContact O-N 2.83Å; R53-Q57 HydrophobicContact CG-CG 4.23Å; R53-Q57 WeakPolarHBondContact O-CB 3.42Å; R53-Q57 VanDerWaalsContact O-CG 3.28Å; R53-Q57 WeakPolarHBondContact O-CG 3.17Å; R53-Q57 PolarHBondContact O-N 3.37Å; R53-M133 HydrophobicContact CB-CE 4.35Å |
| 54 | S | 85 | Confident | 78.9 | Confident | 59 Ų | 59 | 72.6 Ų | 72.6 | 41% | 0.413 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 111.5 | D50 F51 H56 Q57 S58 | D50-S54 PolarHBondContact O-N 3.3Å; F51-S54 PolarHBondContact O-N 3.23Å; S54-H56 PolarHBondContact O-N 3.34Å; S54-Q57 PolarHBondContact O-N 2.98Å; S54-S58 WeakPolarHBondContact O-CB 3.42Å; S54-S58 PolarHBondContact O-N 3.33Å |
| 55 | C | 89.3 | Confident | 79.4 | Confident | 2 Ų | 2 | 66.1 Ų | 66.1 | 1% | 0.014 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -60.1 | -45.8 | 175 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | F51 F52 C59 Y68 L70 C77 Q79 | F51-C55 PolarHBondContact O-N 3.24Å; F52-C55 PolarHBondContact O-N 3.3Å; C55-C59 PolarHBondContact O-N 2.91Å; C55-Y68 WeakPolarHBondContact SG-CD2 3.43Å; C55-L70 HydrophobicContact CB-CD2 4.02Å; C55-L70 VanDerWaalsContact SG-CD2 3.51Å; C55-C77 HydrophobicContact CB-CB 3.7Å; C55-C77 WeakPolarHBondContact CB-SG 3.16Å; C55-C77 WeakPolarHBondContact SG-CB 3.35Å; C55-C77 CovalentContact SG-SG 2.03Å; C55-C77 PolarHBondContact SG-SG 3.25Å; C55-Q79 PolarHBondContact O-NE2 3.48Å |
| 56 | H | 90.9 | Very high | 80.3 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 4% | 0.042 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 177.4 | 172.6 | 70.9 | 0 | 0 | 0 | 112.5 | F23 F52 R53 S54 S58 C59 Q60 Y68 M133 | F23-H56 AromaticContact CD2-CE1 3.53Å; F23-H56 AromaticContact CE2-CE1 3.58Å; F52-H56 WeakPolarHBondContact O-CB 3.28Å; F52-H56 PolarHBondContact O-N 2.89Å; R53-H56 PolarHBondContact O-N 2.83Å; S54-H56 PolarHBondContact O-N 3.34Å; H56-S58 PolarHBondContact O-N 2.79Å; H56-C59 PolarHBondContact O-N 2.78Å; H56-Q60 PolarHBondContact NE2-OE1 2.9Å; H56-Q60 WeakPolarHBondContact O-CB 3.29Å; H56-Q60 PolarHBondContact O-N 2.89Å; H56-Y68 AromaticContact ND1-CE1 3.93Å; H56-Y68 AromaticContact ND1-CZ 3.9Å; H56-Y68 PolarHBondContact ND1-OH 3.09Å; H56-M133 HydrophobicContact CB-CE 3.42Å; H56-M133 VanDerWaalsContact CB-CE 3.42Å; H56-M133 PolarHBondContact CE1-O 3.17Å |
| 57 | Q | 89.8 | Confident | 81.8 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 44% | 0.435 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 178.8 | -75.8 | 174.1 | -32.2 | 0 | 0 | 111 | R53 S54 C59 Q60 D61 | R53-Q57 HydrophobicContact CG-CG 4.23Å; R53-Q57 WeakPolarHBondContact O-CB 3.42Å; R53-Q57 VanDerWaalsContact O-CG 3.28Å; R53-Q57 WeakPolarHBondContact O-CG 3.17Å; R53-Q57 PolarHBondContact O-N 3.37Å; S54-Q57 PolarHBondContact O-N 2.98Å; Q57-C59 VanDerWaalsContact C-N 3.27Å; Q57-C59 PolarHBondContact O-N 2.79Å; Q57-Q60 WeakPolarHBondContact O-CB 3.35Å; Q57-Q60 PolarHBondContact O-N 2.85Å; Q57-Q60 VanDerWaalsContact O-N 3.12Å; Q57-D61 WeakPolarHBondContact O-CB 3.46Å; Q57-D61 VanDerWaalsContact O-CG 3.26Å; Q57-D61 PolarHBondContact O-N 3.41Å |
| 58 | S | 91 | Very high | 83.8 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 15% | 0.154 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.9 | -37.2 | 176.6 | 173.1 | 0 | 0 | 0 | 0 | 112.5 | R41 S54 H56 D62 Q79 | R41-S58 PolarHBondContact NH1-OG 3.15Å; S54-S58 WeakPolarHBondContact O-CB 3.42Å; S54-S58 PolarHBondContact O-N 3.33Å; H56-S58 PolarHBondContact O-N 2.79Å; S58-D62 WeakPolarHBondContact O-CB 3.22Å; S58-D62 PolarHBondContact O-N 2.86Å; S58-Q79 VanDerWaalsContact CB-NE2 3.29Å; S58-Q79 PolarHBondContact OG-NE2 2.94Å; S58-Q79 PolarHBondContact OG-OE1 3.28Å |
| 59 | C | 91.8 | Very high | 85.6 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -74.3 | -38.3 | 175.1 | -176.3 | 0 | 0 | 0 | 0 | 111.8 | C55 H56 Q57 D61 D62 C65 Y68 Q79 K106 | C55-C59 PolarHBondContact O-N 2.91Å; H56-C59 PolarHBondContact O-N 2.78Å; Q57-C59 VanDerWaalsContact C-N 3.27Å; Q57-C59 PolarHBondContact O-N 2.79Å; C59-D61 VanDerWaalsContact C-N 3.32Å; C59-D61 PolarHBondContact O-N 2.83Å; C59-D62 PolarHBondContact O-N 2.88Å; C59-D62 VanDerWaalsContact O-O 3.12Å; C59-C65 VanDerWaalsContact CA-SG 3.55Å; C59-C65 HydrophobicContact CB-CB 3.96Å; C59-C65 WeakPolarHBondContact CB-SG 3.41Å; C59-C65 WeakPolarHBondContact O-CB 3.17Å; C59-C65 WeakPolarHBondContact SG-CB 3.17Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 3.12Å; C59-Y68 HydrophobicContact CB-CD1 3.76Å; C59-Y68 HydrophobicContact CB-CE1 4.4Å; C59-Y68 HydrophobicContact CB-CG 4.32Å; C59-Q79 HydrophobicContact CB-CG 4.33Å; C59-K106 WeakPolarHBondContact O-CE 3.31Å; C59-K106 PolarHBondContact O-NZ 3.31Å |
| 60 | Q | 91 | Very high | 87.3 | Confident | 108 Ų | 108 | 44.3 Ų | 44.3 | 51% | 0.505 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 177.6 | -177.2 | 175.9 | -1.3 | 0 | 0 | 110.9 | F23 H56 Q57 K106 | F23-Q60 HydrophobicContact CE2-CB 4.21Å; F23-Q60 HydrophobicContact CE2-CG 4.44Å; F23-Q60 HydrophobicContact CZ-CB 4.45Å; H56-Q60 PolarHBondContact NE2-OE1 2.9Å; H56-Q60 WeakPolarHBondContact O-CB 3.29Å; H56-Q60 PolarHBondContact O-N 2.89Å; Q57-Q60 WeakPolarHBondContact O-CB 3.35Å; Q57-Q60 PolarHBondContact O-N 2.85Å; Q57-Q60 VanDerWaalsContact O-N 3.12Å; Q60-K106 PolarHBondContact O-NZ 2.95Å |
| 61 | D | 90.6 | Very high | 88.3 | Confident | 133 Ų | 133 | 43.7 Ų | 43.7 | 71% | 0.711 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -77.7 | -25.8 | -176.4 | -62.3 | -21.9 | 0 | 0 | 0 | 113.2 | Q57 C59 S63 | Q57-D61 WeakPolarHBondContact O-CB 3.46Å; Q57-D61 VanDerWaalsContact O-CG 3.26Å; Q57-D61 PolarHBondContact O-N 3.41Å; C59-D61 VanDerWaalsContact C-N 3.32Å; C59-D61 PolarHBondContact O-N 2.83Å; D61-S63 PolarHBondContact O-N 3Å |
| 62 | D | 90.5 | Very high | 88.4 | Confident | 33 Ų | 33 | 42.8 Ų | 42.8 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | trans | -84.2 | 113.1 | 175.3 | -165.9 | -33 | 0 | 0 | 0 | 110.8 | S58 C59 R64 C65 K106 | S58-D62 WeakPolarHBondContact O-CB 3.22Å; S58-D62 PolarHBondContact O-N 2.86Å; C59-D62 PolarHBondContact O-N 2.88Å; C59-D62 VanDerWaalsContact O-O 3.12Å; D62-R64 PolarHBondContact O-N 3.47Å; D62-R64 VanDerWaalsContact OD1-CB 3.23Å; D62-R64 WeakPolarHBondContact OD1-CB 3.38Å; D62-R64 WeakPolarHBondContact OD1-CG 3.45Å; D62-R64 IonicContact OD1-CZ 4Å; D62-R64 PolarHBondContact OD1-N 2.92Å; D62-R64 IonicContact OD1-NE 3.63Å; D62-R64 PolarHBondContact OD1-NE 2.04Å; D62-R64 VanDerWaalsContact OD1-NE 3.1Å; D62-R64 IonicContact OD1-NH2 3.63Å; D62-R64 IonicContact OD2-CZ 3.95Å; D62-R64 IonicContact OD2-NE 3.1Å; D62-R64 PolarHBondContact OD2-NE 2.9Å; D62-R64 IonicContact OD2-NH2 3.88Å; D62-R64 PolarHBondContact OD2-NH2 2.79Å; D62-C65 HydrophobicContact CB-CB 4.1Å; D62-C65 PolarHBondContact O-N 3.48Å; D62-K106 PolarHBondContact O-NZ 2.72Å | ||
| 63 | S | 87.2 | Confident | 88.2 | Confident | 105 Ų | 105 | 47.6 Ų | 47.6 | 73% | 0.734 | 24% | 0.24 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -19.7 | 178.6 | 60.3 | 0 | 0 | 0 | 0 | 113.9 | D61 | D61-S63 PolarHBondContact O-N 3Š|
| 64 | R | 87.8 | Confident | 88.2 | Confident | 127 Ų | 127 | 51.7 Ų | 51.7 | 48% | 0.479 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -23.3 | 176.1 | -53.7 | 170.4 | -63.3 | 168.8 | 4.2 | 111.8 | I40 D62 F66 S81 | I40-R64 VanDerWaalsContact CD1-C 3.43Å; I40-R64 HydrophobicContact CD1-CB 3.83Å; I40-R64 VanDerWaalsContact CD1-O 3.32Å; I40-R64 WeakPolarHBondContact CD1-O 2.99Å; D62-R64 PolarHBondContact O-N 3.47Å; D62-R64 VanDerWaalsContact OD1-CB 3.23Å; D62-R64 WeakPolarHBondContact OD1-CB 3.38Å; D62-R64 WeakPolarHBondContact OD1-CG 3.45Å; D62-R64 IonicContact OD1-CZ 4Å; D62-R64 PolarHBondContact OD1-N 2.92Å; D62-R64 IonicContact OD1-NE 3.63Å; D62-R64 PolarHBondContact OD1-NE 2.04Å; D62-R64 VanDerWaalsContact OD1-NE 3.1Å; D62-R64 IonicContact OD1-NH2 3.63Å; D62-R64 IonicContact OD2-CZ 3.95Å; D62-R64 IonicContact OD2-NE 3.1Å; D62-R64 PolarHBondContact OD2-NE 2.9Å; D62-R64 IonicContact OD2-NH2 3.88Å; D62-R64 PolarHBondContact OD2-NH2 2.79Å; R64-F66 VanDerWaalsContact O-CD2 3.27Å; R64-F66 WeakPolarHBondContact O-CD2 3.47Å; R64-F66 PolarHBondContact O-N 2.78Å; R64-S81 WeakPolarHBondContact O-CA 3.38Å |
| 65 | C | 89.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | trans | -76.3 | 118.8 | -178.8 | -171.1 | 0 | 0 | 0 | 0 | 109.9 | I40 C59 D62 K106 | I40-C65 HydrophobicContact CD1-CB 4.02Å; C59-C65 VanDerWaalsContact CA-SG 3.55Å; C59-C65 HydrophobicContact CB-CB 3.96Å; C59-C65 WeakPolarHBondContact CB-SG 3.41Å; C59-C65 WeakPolarHBondContact O-CB 3.17Å; C59-C65 WeakPolarHBondContact SG-CB 3.17Å; C59-C65 CovalentContact SG-SG 2.04Å; C59-C65 PolarHBondContact SG-SG 3.12Å; D62-C65 HydrophobicContact CB-CB 4.1Å; D62-C65 PolarHBondContact O-N 3.48Å; C65-K106 WeakPolarHBondContact O-CD 3.21Å; C65-K106 WeakPolarHBondContact O-CE 3.45Å; C65-K106 PolarHBondContact O-NZ 3.03Å | ||
| 66 | F | 88.5 | Confident | 87.8 | Confident | 71 Ų | 71 | 53.1 Ų | 53.1 | 31% | 0.311 | 26% | 0.257 | S | S | . | . | trans | -109.5 | -27.6 | 174.8 | -77.7 | -85.5 | 0 | 0 | 0 | 112 | R64 Y80 K106 | R64-F66 VanDerWaalsContact O-CD2 3.27Å; R64-F66 WeakPolarHBondContact O-CD2 3.47Å; R64-F66 PolarHBondContact O-N 2.78Å; F66-Y80 PolarHBondContact N-O 2.98Å; F66-K106 PolarHBondContact O-N 2.93Å | ||
| 67 | V | 90.8 | Very high | 87.8 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 141.8 | -176 | -169.3 | 0 | 0 | 0 | 0 | 108.4 | I31 Y80 F91 V103 F104 R105 | I31-V67 HydrophobicContact CD1-CB 4.04Å; I31-V67 HydrophobicContact CD1-CG1 3.49Å; I31-V67 VanDerWaalsContact CD1-CG1 3.49Å; I31-V67 HydrophobicContact CG1-CG1 4.42Å; V67-Y80 PolarHBondContact N-O 3.31Å; V67-Y80 PolarHBondContact O-N 3.12Å; V67-F91 HydrophobicContact CG1-CE2 4.07Å; V67-F91 HydrophobicContact CG1-CZ 3.92Å; V67-F91 HydrophobicContact CG2-CD2 4.42Å; V67-F91 HydrophobicContact CG2-CE2 3.7Å; V67-F91 HydrophobicContact CG2-CZ 4.16Å; V67-V103 HydrophobicContact CG1-CG1 3.48Å; V67-V103 VanDerWaalsContact CG1-CG1 3.48Å; V67-F104 CarbonylContact C-O 3.56Å; V67-F104 VanDerWaalsContact CA-O 3.25Å; V67-F104 WeakPolarHBondContact CA-O 3.47Å; V67-F104 VanDerWaalsContact CG1-O 3.27Å; V67-F104 WeakPolarHBondContact CG1-O 2.97Å; V67-R105 HydrophobicContact CG1-CB 4.39Å; V67-R105 HydrophobicContact CG2-CB 4.17Å; V67-R105 HydrophobicContact CG2-CG 4.17Å |
| 68 | Y | 91.7 | Very high | 87.8 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 148.3 | 166.4 | 68.8 | -87.1 | 0 | 0 | 0 | 110.4 | F23 C55 H56 C59 L70 A78 F104 | F23-Y68 HydrophobicContact CD1-CD1 4.43Å; F23-Y68 AromaticContact CD1-CE1 3.79Å; F23-Y68 HydrophobicContact CD1-CE1 3.79Å; F23-Y68 AromaticContact CE1-CD1 3.86Å; F23-Y68 HydrophobicContact CE1-CD1 3.86Å; F23-Y68 AromaticContact CE1-CE1 3.5Å; F23-Y68 HydrophobicContact CE1-CE1 3.5Å; F23-Y68 HydrophobicContact CZ-CE1 4.21Å; C55-Y68 WeakPolarHBondContact SG-CD2 3.43Å; H56-Y68 AromaticContact ND1-CE1 3.93Å; H56-Y68 AromaticContact ND1-CZ 3.9Å; H56-Y68 PolarHBondContact ND1-OH 3.09Å; C59-Y68 HydrophobicContact CB-CD1 3.76Å; C59-Y68 HydrophobicContact CB-CE1 4.4Å; C59-Y68 HydrophobicContact CB-CG 4.32Å; Y68-L70 HydrophobicContact CD2-CD2 4.17Å; Y68-L70 HydrophobicContact CD2-CG 4.08Å; Y68-L70 HydrophobicContact CE2-CD1 4.02Å; Y68-L70 HydrophobicContact CE2-CD2 4.32Å; Y68-L70 HydrophobicContact CE2-CG 4.01Å; Y68-A78 CarbonylContact C-O 3.56Å; Y68-A78 WeakPolarHBondContact CA-O 3.08Å; Y68-F104 HydrophobicContact CD1-CB 3.67Å; Y68-F104 HydrophobicContact CD2-CB 4.07Å; Y68-F104 AromaticContact CD2-CD2 3.96Å; Y68-F104 HydrophobicContact CD2-CD2 3.96Å; Y68-F104 HydrophobicContact CD2-CG 4.32Å; Y68-F104 HydrophobicContact CE1-CB 3.19Å; Y68-F104 HydrophobicContact CE1-CD1 4.49Å; Y68-F104 HydrophobicContact CE1-CD2 4.42Å; Y68-F104 AromaticContact CE1-CG 3.85Å; Y68-F104 HydrophobicContact CE1-CG 3.85Å; Y68-F104 HydrophobicContact CE2-CB 3.65Å; Y68-F104 HydrophobicContact CE2-CD1 4.4Å; Y68-F104 AromaticContact CE2-CD2 3.28Å; Y68-F104 HydrophobicContact CE2-CD2 3.28Å; Y68-F104 AromaticContact CE2-CE2 3.96Å; Y68-F104 HydrophobicContact CE2-CE2 3.96Å; Y68-F104 AromaticContact CE2-CG 3.54Å; Y68-F104 HydrophobicContact CE2-CG 3.54Å; Y68-F104 HydrophobicContact CG-CB 4.09Å; Y68-F104 AromaticContact CZ-CD1 3.83Å; Y68-F104 AromaticContact CZ-CD2 3.55Å; Y68-F104 AromaticContact CZ-CG 3.25Å; Y68-F104 PolarHBondContact N-O 3.17Å; Y68-F104 PolarHBondContact O-N 2.76Å; Y68-F104 WeakPolarHBondContact OH-CB 3.02Å; Y68-F104 WeakPolarHBondContact OH-CD1 3.45Å; Y68-F104 WeakPolarHBondContact OH-CG 3.36Å |
| 69 | T | 92.2 | Very high | 87.8 | Confident | 9 Ų | 9 | 47.5 Ų | 47.5 | 6% | 0.055 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 145.9 | 175.2 | 66.1 | 0 | 0 | 0 | 0 | 110 | I31 C77 A78 Y80 I102 V103 | I31-T69 HydrophobicContact CD1-CG2 3.88Å; I31-T69 HydrophobicContact CG1-CG2 3.79Å; T69-C77 WeakPolarHBondContact O-CA 3.43Å; T69-A78 PolarHBondContact N-O 2.89Å; T69-A78 PolarHBondContact O-N 3.39Å; T69-Y80 HydrophobicContact CG2-CD2 4.42Å; T69-Y80 HydrophobicContact CG2-CE2 3.79Å; T69-I102 CarbonylContact C-O 3.59Å; T69-I102 WeakPolarHBondContact CA-O 3.15Å; T69-V103 HydrophobicContact CG2-CB 4.4Å; T69-V103 HydrophobicContact CG2-CG1 4.43Å; T69-V103 HydrophobicContact CG2-CG2 3.67Å |
| 70 | L | 89.7 | Confident | 87.7 | Confident | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 116.6 | 174.1 | -62.4 | 179.7 | 0 | 0 | 0 | 108.4 | F51 F52 C55 Y68 E76 C77 S101 I102 F104 | F51-L70 HydrophobicContact CE1-CD2 4.16Å; F52-L70 HydrophobicContact CB-CD1 4.39Å; F52-L70 HydrophobicContact CD1-CD1 3.12Å; F52-L70 HydrophobicContact CD1-CG 4.41Å; F52-L70 HydrophobicContact CE1-CB 4.31Å; F52-L70 HydrophobicContact CE1-CD1 3.44Å; F52-L70 VanDerWaalsContact CE1-CD1 3.44Å; F52-L70 HydrophobicContact CE1-CG 4.45Å; F52-L70 HydrophobicContact CG-CD1 3.95Å; F52-L70 HydrophobicContact CZ-CD1 4.48Å; C55-L70 HydrophobicContact CB-CD2 4.02Å; C55-L70 VanDerWaalsContact SG-CD2 3.51Å; Y68-L70 HydrophobicContact CD2-CD2 4.17Å; Y68-L70 HydrophobicContact CD2-CG 4.08Å; Y68-L70 HydrophobicContact CE2-CD1 4.02Å; Y68-L70 HydrophobicContact CE2-CD2 4.32Å; Y68-L70 HydrophobicContact CE2-CG 4.01Å; L70-E76 CarbonylContact C-O 3.55Å; L70-E76 WeakPolarHBondContact CA-O 3.03Å; L70-C77 HydrophobicContact CD2-CB 3.9Å; L70-S101 VanDerWaalsContact O-CA 3.31Å; L70-S101 WeakPolarHBondContact O-CA 3.05Å; L70-I102 PolarHBondContact N-O 3.43Å; L70-I102 PolarHBondContact O-N 2.78Å; L70-F104 HydrophobicContact CD1-CD2 4.17Å; L70-F104 HydrophobicContact CD1-CE2 3.53Å; L70-F104 HydrophobicContact CD1-CZ 4.31Å; L70-F104 HydrophobicContact CG-CD2 4.38Å; L70-F104 HydrophobicContact CG-CE2 4.12Å |
| 71 | H | 88.4 | Confident | 87.4 | Confident | 30 Ų | 30 | 43.3 Ų | 43.3 | 14% | 0.139 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 119.5 | 171.1 | -170.2 | -27.1 | 0 | 0 | 0 | 109.3 | Q73 R74 L75 E76 D100 | H71-Q73 PolarHBondContact ND1-N 2.03Å; H71-R74 HydrophobicContact CB-CB 4.47Å; H71-R74 PolarHBondContact NE2-NE 2.57Å; H71-L75 WeakPolarHBondContact O-CA 3.38Å; H71-L75 PolarHBondContact O-N 3.14Å; H71-E76 HydrophobicContact CB-CB 4.07Å; H71-E76 PolarHBondContact N-O 2.88Å; H71-E76 PolarHBondContact O-N 3.17Å; H71-D100 CarbonylContact C-O 3.43Å; H71-D100 WeakPolarHBondContact CA-O 3.25Å; H71-D100 PolarHBondContact ND1-O 3.3Å |
| 72 | L | 77.7 | Confident | 86.6 | Confident | 8 Ų | 8 | 38 Ų | 38 | 4% | 0.042 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -42.6 | -167.1 | -59.3 | 171.2 | 0 | 0 | 0 | 113.2 | F52 D100 I102 L233 | F52-L72 HydrophobicContact CE1-CD2 4.42Å; F52-L72 HydrophobicContact CZ-CD2 4.3Å; L72-D100 WeakPolarHBondContact CB-O 3.02Å; L72-D100 VanDerWaalsContact CG-O 3.31Å; L72-D100 WeakPolarHBondContact CG-O 3.5Å; L72-D100 PolarHBondContact N-O 2.64Å; L72-I102 HydrophobicContact CD1-CD1 4.46Å; L72-I102 HydrophobicContact CD1-CG1 4.29Å; L72-I102 HydrophobicContact CD2-CD1 3.84Å; L72-I102 HydrophobicContact CD2-CG1 4.1Å; L72-I102 HydrophobicContact CG-CG1 4.46Å; L72-L233 HydrophobicContact CB-CD2 4.21Å; L72-L233 HydrophobicContact CD1-CD2 3.23Å; L72-L233 HydrophobicContact CD2-CD2 3.38Å; L72-L233 HydrophobicContact CG-CD2 3.73Å |
| 73 | Q | 77.2 | Confident | 85.1 | Confident | 122 Ų | 122 | 42.1 Ų | 42.1 | 57% | 0.57 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -41.9 | -179.5 | -167.2 | -172 | 20.1 | 0 | 0 | 112.6 | H71 L75 S287 | H71-Q73 PolarHBondContact ND1-N 2.03Å; Q73-L75 VanDerWaalsContact C-N 3.35Å; Q73-S287 PolarHBondContact OE1-OG 2.8Å; Q73-S287 VanDerWaalsContact OE1-OG 3.09Å |
| 74 | R | 81.4 | Confident | 83.7 | Confident | 151 Ų | 151 | 38.9 Ų | 38.9 | 57% | 0.57 | 18% | 0.179 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | -10.6 | -175.4 | -61.8 | -176.7 | -173 | 175 | 2.6 | 113.5 | H71 E76 | H71-R74 HydrophobicContact CB-CB 4.47Å; H71-R74 PolarHBondContact NE2-NE 2.57Å; R74-E76 HydrophobicContact CB-CB 4.06Å; R74-E76 HydrophobicContact CB-CG 3.89Å; R74-E76 WeakPolarHBondContact CD-OE2 3.39Å; R74-E76 PolarHBondContact O-N 3.44Å |
| 75 | L | 79.5 | Confident | 82 | Confident | 72 Ų | 72 | 35 Ų | 35 | 38% | 0.377 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49 | 50.5 | -171.1 | -56.5 | 175.8 | 0 | 0 | 0 | 110.3 | S45 F51 F52 H71 Q73 | S45-L75 PolarHBondContact N-O 3.1Å; F51-L75 HydrophobicContact CD1-CB 4.46Å; F51-L75 HydrophobicContact CE1-CB 4.3Å; F51-L75 WeakPolarHBondContact CZ-O 3.16Å; F52-L75 HydrophobicContact CE2-CD2 4.5Å; H71-L75 WeakPolarHBondContact O-CA 3.38Å; H71-L75 PolarHBondContact O-N 3.14Å; Q73-L75 VanDerWaalsContact C-N 3.35Å |
| 76 | E | 87.4 | Confident | 80.3 | Confident | 18 Ų | 18 | 39.9 Ų | 39.9 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 131.4 | -176.6 | -92.8 | 166.6 | -151.1 | 0 | 0 | 109.6 | E43 K44 L70 H71 R74 | E43-E76 WeakPolarHBondContact O-CA 3.46Å; K44-E76 HydrophobicContact CB-CG 4.35Å; K44-E76 HydrophobicContact CD-CG 3.95Å; K44-E76 VanDerWaalsContact CD-OE1 3.31Å; K44-E76 WeakPolarHBondContact CD-OE1 3.05Å; K44-E76 WeakPolarHBondContact CE-OE1 3.41Å; K44-E76 HydrophobicContact CG-CG 3.69Å; K44-E76 IonicContact NZ-OE1 2.7Å; K44-E76 PolarHBondContact NZ-OE1 2.82Å; L70-E76 CarbonylContact C-O 3.55Å; L70-E76 WeakPolarHBondContact CA-O 3.03Å; H71-E76 HydrophobicContact CB-CB 4.07Å; H71-E76 PolarHBondContact N-O 2.88Å; H71-E76 PolarHBondContact O-N 3.17Å; R74-E76 HydrophobicContact CB-CB 4.06Å; R74-E76 HydrophobicContact CB-CG 3.89Å; R74-E76 WeakPolarHBondContact CD-OE2 3.39Å; R74-E76 PolarHBondContact O-N 3.44Å |
| 77 | C | 90 | Very high | 79.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.007 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 124.3 | 177.7 | 160.4 | 0 | 0 | 0 | 0 | 106.5 | Q42 E43 F51 C55 T69 L70 | Q42-C77 CarbonylContact C-O 3.51Å; Q42-C77 WeakPolarHBondContact CA-O 3.18Å; E43-C77 PolarHBondContact N-O 3.06Å; E43-C77 PolarHBondContact O-N 3.43Å; F51-C77 HydrophobicContact CE1-CB 4.39Å; F51-C77 HydrophobicContact CE2-CB 3.94Å; F51-C77 HydrophobicContact CZ-CB 3.51Å; C55-C77 HydrophobicContact CB-CB 3.7Å; C55-C77 WeakPolarHBondContact CB-SG 3.16Å; C55-C77 WeakPolarHBondContact SG-CB 3.35Å; C55-C77 CovalentContact SG-SG 2.03Å; C55-C77 PolarHBondContact SG-SG 3.25Å; T69-C77 WeakPolarHBondContact O-CA 3.43Å; L70-C77 HydrophobicContact CD2-CB 3.9Å |
| 78 | A | 90.3 | Very high | 78.1 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 4% | 0.041 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 127.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q42 Y68 T69 Y80 | Q42-A78 HydrophobicContact CG-CB 4.28Å; Y68-A78 CarbonylContact C-O 3.56Å; Y68-A78 WeakPolarHBondContact CA-O 3.08Å; T69-A78 PolarHBondContact N-O 2.89Å; T69-A78 PolarHBondContact O-N 3.39Å; A78-Y80 HydrophobicContact CB-CD2 4.5Å; A78-Y80 HydrophobicContact CB-CE2 3.51Å; A78-Y80 WeakPolarHBondContact CB-OH 3.14Å; A78-Y80 WeakPolarHBondContact O-CD2 3.31Å; A78-Y80 VanDerWaalsContact O-CE2 3.25Å; A78-Y80 WeakPolarHBondContact O-CE2 3.33Å |
| 79 | Q | 91.2 | Very high | 76.8 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.005 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 136.3 | 178.5 | -66.1 | 174.9 | 3.6 | 0 | 0 | 108.9 | I39 I40 R41 C55 S58 C59 | I39-Q79 CarbonylContact C-O 3.58Å; I39-Q79 WeakPolarHBondContact CA-O 3.47Å; I40-Q79 PolarHBondContact N-O 2.88Å; R41-Q79 HydrophobicContact CB-CB 4.18Å; R41-Q79 PolarHBondContact N-O 3.5Å; R41-Q79 PolarHBondContact O-N 2.89Å; C55-Q79 PolarHBondContact O-NE2 3.48Å; S58-Q79 VanDerWaalsContact CB-NE2 3.29Å; S58-Q79 PolarHBondContact OG-NE2 2.94Å; S58-Q79 PolarHBondContact OG-OE1 3.28Å; C59-Q79 HydrophobicContact CB-CG 4.33Å |
| 80 | Y | 89 | Confident | 75.8 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 6% | 0.063 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 137.2 | -173.1 | -59.2 | -95.1 | 0 | 0 | 0 | 109.6 | I31 Y38 I39 F66 V67 T69 A78 | I31-Y80 HydrophobicContact CD1-CD1 4.43Å; I31-Y80 HydrophobicContact CD1-CD2 3.62Å; I31-Y80 HydrophobicContact CD1-CE2 3.94Å; I31-Y80 HydrophobicContact CD1-CG 3.9Å; Y38-Y80 WeakPolarHBondContact O-CA 3.37Å; I39-Y80 HydrophobicContact CD1-CE1 4.25Å; I39-Y80 HydrophobicContact CG1-CD1 3.87Å; I39-Y80 HydrophobicContact CG1-CE1 3.48Å; I39-Y80 VanDerWaalsContact CG1-CE1 3.48Å; F66-Y80 PolarHBondContact N-O 2.98Å; V67-Y80 PolarHBondContact N-O 3.31Å; V67-Y80 PolarHBondContact O-N 3.12Å; T69-Y80 HydrophobicContact CG2-CD2 4.42Å; T69-Y80 HydrophobicContact CG2-CE2 3.79Å; A78-Y80 HydrophobicContact CB-CD2 4.5Å; A78-Y80 HydrophobicContact CB-CE2 3.51Å; A78-Y80 WeakPolarHBondContact CB-OH 3.14Å; A78-Y80 WeakPolarHBondContact O-CD2 3.31Å; A78-Y80 VanDerWaalsContact O-CE2 3.25Å; A78-Y80 WeakPolarHBondContact O-CE2 3.33Å |
| 81 | S | 85.6 | Confident | 75.4 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 3% | 0.028 | 24% | 0.235 | C | C | . | . | trans | -75.7 | 159.2 | 154.4 | 69.6 | 0 | 0 | 0 | 0 | 108.4 | S37 Y38 R64 | S37-S81 VanDerWaalsContact CA-O 3.26Å; S37-S81 WeakPolarHBondContact CA-O 3.41Å; S37-S81 WeakPolarHBondContact CB-O 3.18Å; Y38-S81 WeakPolarHBondContact CD1-OG 3.45Å; Y38-S81 WeakPolarHBondContact CD2-OG 3.34Å; Y38-S81 VanDerWaalsContact CE1-CB 3.4Å; Y38-S81 WeakPolarHBondContact CE1-OG 3.33Å; Y38-S81 WeakPolarHBondContact CE2-OG 3.22Å; Y38-S81 PolarHBondContact N-OG 3.16Å; Y38-S81 PolarHBondContact O-N 3.48Å; Y38-S81 PolarHBondContact O-OG 2.84Å; Y38-S81 WeakPolarHBondContact OH-CB 3.4Å; R64-S81 WeakPolarHBondContact O-CA 3.38Å | ||
| 82 | Y | 73.1 | Confident | 75 | Confident | 20 Ų | 20 | 47 Ų | 47 | 8% | 0.078 | 24% | 0.242 | C | C | . | . | trans | -128.2 | 119 | 175.5 | -167.1 | -107.8 | 0 | 0 | 0 | 109.3 | V36 S84 G85 F91 H94 | V36-Y82 HydrophobicContact CB-CE2 4.29Å; V36-Y82 HydrophobicContact CG1-CD2 4.11Å; V36-Y82 HydrophobicContact CG1-CE1 4.42Å; V36-Y82 HydrophobicContact CG1-CE2 3.61Å; Y82-S84 WeakPolarHBondContact CE1-O 3.45Å; Y82-G85 WeakPolarHBondContact CD1-O 3.49Å; Y82-G85 WeakPolarHBondContact CE1-O 3.04Å; Y82-F91 HydrophobicContact CD2-CD2 4.34Å; Y82-F91 AromaticContact CE2-CD2 3.87Å; Y82-F91 HydrophobicContact CE2-CD2 3.87Å; Y82-F91 VanDerWaalsContact OH-CA 3.31Å; Y82-F91 WeakPolarHBondContact OH-CA 3.06Å; Y82-F91 PolarHBondContact OH-N 2.86Å; Y82-H94 AromaticContact CE2-ND1 3.54Å; Y82-H94 AromaticContact CZ-ND1 3.6Å; Y82-H94 PolarHBondContact OH-CE1 3.26Å; Y82-H94 PolarHBondContact OH-ND1 2.95Å | ||
| 83 | L | 59.9 | Low | 75.1 | Confident | 121 Ų | 121 | 55.9 Ų | 55.9 | 63% | 0.634 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -82.3 | -23.5 | -174 | -65.2 | 166 | 0 | 0 | 0 | 112.4 | V36 Y38 G85 | V36-L83 HydrophobicContact CG1-CB 4.4Å; V36-L83 VanDerWaalsContact O-CB 3.25Å; V36-L83 WeakPolarHBondContact O-CB 3.27Å; V36-L83 WeakPolarHBondContact O-CG 3.25Å; V36-L83 PolarHBondContact O-N 2.73Å; Y38-L83 HydrophobicContact CD1-CD2 4.21Å; Y38-L83 HydrophobicContact CD1-CG 4.41Å; Y38-L83 HydrophobicContact CE1-CD2 4.06Å; L83-G85 VanDerWaalsContact C-N 3.33Å; L83-G85 PolarHBondContact O-N 2.89Å |
| 84 | S | 56.7 | Low | 75.4 | Confident | 36 Ų | 36 | 52 Ų | 52 | 25% | 0.252 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -92.1 | 47.2 | -174.1 | 170.9 | 0 | 0 | 0 | 0 | 113.2 | Y82 L90 | Y82-S84 WeakPolarHBondContact CE1-O 3.45Å; S84-L90 WeakPolarHBondContact OG-CD1 3.27Å |
| 85 | G | 52.7 | Low | 75.7 | Confident | 46 Ų | 46 | 46 Ų | 46 | 47% | 0.474 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | -179.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y82 L83 D87 | Y82-G85 WeakPolarHBondContact CD1-O 3.49Å; Y82-G85 WeakPolarHBondContact CE1-O 3.04Å; L83-G85 VanDerWaalsContact C-N 3.33Å; L83-G85 PolarHBondContact O-N 2.89Å; G85-D87 PolarHBondContact O-N 3.24Å |
| 86 | N | 53.9 | Low | 76.2 | Confident | 103 Ų | 103 | 49 Ų | 49 | 55% | 0.551 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | 17.2 | -179.8 | -91.2 | -16.1 | 0 | 0 | 0 | 114.1 | A88 R105 | N86-A88 PolarHBondContact O-N 2.83Å; N86-A88 VanDerWaalsContact O-N 3.1Å; N86-R105 PolarHBondContact O-NH2 3.22Å; N86-R105 VanDerWaalsContact O-NH2 3.15Å |
| 87 | D | 65.7 | Low | 76.4 | Confident | 69 Ų | 69 | 51.6 Ų | 51.6 | 37% | 0.369 | 27% | 0.266 | S | S | . | . | trans | -77.1 | 104 | -176.2 | -166.4 | -12.6 | 0 | 0 | 0 | 111.4 | G85 D89 L90 F91 | G85-D87 PolarHBondContact O-N 3.24Å; D87-D89 PolarHBondContact O-N 3.22Å; D87-D89 WeakPolarHBondContact OD1-CB 3.09Å; D87-D89 PolarHBondContact OD1-N 3.5Å; D87-L90 HydrophobicContact CB-CB 4.22Å; D87-L90 HydrophobicContact CB-CD1 3.99Å; D87-L90 HydrophobicContact CB-CG 4.17Å; D87-L90 PolarHBondContact O-N 3.04Å; D87-F91 PolarHBondContact O-N 2.84Å; D87-F91 VanDerWaalsContact O-N 3.1Å | ||
| 88 | A | 66.3 | Low | 76.5 | Confident | 10 Ų | 10 | 53.6 Ų | 53.6 | 8% | 0.083 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.8 | -32 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | N86 L90 F91 R92 R105 M158 | N86-A88 PolarHBondContact O-N 2.83Å; N86-A88 VanDerWaalsContact O-N 3.1Å; A88-L90 VanDerWaalsContact C-N 3.35Å; A88-F91 PolarHBondContact O-N 2.05Å; A88-R92 PolarHBondContact O-N 2.84Å; A88-R105 VanDerWaalsContact CA-NH2 3.33Å; A88-R105 VanDerWaalsContact CB-NH1 3.26Å; A88-M158 HydrophobicContact CB-CB 4.03Å; A88-M158 HydrophobicContact CB-CE 4.05Å |
| 89 | D | 64.8 | Low | 76.6 | Confident | 37 Ų | 37 | 55.3 Ų | 55.3 | 20% | 0.198 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.5 | -34.5 | -177 | -68.1 | -17 | 0 | 0 | 0 | 110.9 | D87 K183 | D87-D89 PolarHBondContact O-N 3.22Å; D87-D89 WeakPolarHBondContact OD1-CB 3.09Å; D87-D89 PolarHBondContact OD1-N 3.5Å; D89-K183 IonicContact OD2-NZ 3.7Å; D89-K183 PolarHBondContact OD2-NZ 3.19Å |
| 90 | L | 71.5 | Confident | 76.6 | Confident | 69 Ų | 69 | 56.3 Ų | 56.3 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.1 | -40.1 | 173.4 | -69.7 | 175 | 0 | 0 | 0 | 111.8 | S84 D87 A88 R92 R93 | S84-L90 WeakPolarHBondContact OG-CD1 3.27Å; D87-L90 HydrophobicContact CB-CB 4.22Å; D87-L90 HydrophobicContact CB-CD1 3.99Å; D87-L90 HydrophobicContact CB-CG 4.17Å; D87-L90 PolarHBondContact O-N 3.04Å; A88-L90 VanDerWaalsContact C-N 3.35Å; L90-R92 PolarHBondContact O-N 3.14Å; L90-R93 WeakPolarHBondContact O-CB 3.42Å; L90-R93 PolarHBondContact O-N 2.8Å |
| 91 | F | 81 | Confident | 76.7 | Confident | 1 Ų | 1 | 55.8 Ų | 55.8 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -54.7 | -40.3 | 178.5 | 179.4 | -106.7 | 0 | 0 | 0 | 112.6 | F26 V67 Y82 D87 A88 R93 H94 L95 V103 R105 | F26-F91 HydrophobicContact CD2-CE1 4.16Å; F26-F91 HydrophobicContact CE2-CD1 4.27Å; F26-F91 AromaticContact CE2-CE1 3.68Å; F26-F91 HydrophobicContact CE2-CE1 3.68Å; F26-F91 HydrophobicContact CZ-CD1 4.11Å; F26-F91 AromaticContact CZ-CE1 3.92Å; F26-F91 HydrophobicContact CZ-CE1 3.92Å; V67-F91 HydrophobicContact CG1-CE2 4.07Å; V67-F91 HydrophobicContact CG1-CZ 3.92Å; V67-F91 HydrophobicContact CG2-CD2 4.42Å; V67-F91 HydrophobicContact CG2-CE2 3.7Å; V67-F91 HydrophobicContact CG2-CZ 4.16Å; Y82-F91 HydrophobicContact CD2-CD2 4.34Å; Y82-F91 AromaticContact CE2-CD2 3.87Å; Y82-F91 HydrophobicContact CE2-CD2 3.87Å; Y82-F91 VanDerWaalsContact OH-CA 3.31Å; Y82-F91 WeakPolarHBondContact OH-CA 3.06Å; Y82-F91 PolarHBondContact OH-N 2.86Å; D87-F91 PolarHBondContact O-N 2.84Å; D87-F91 VanDerWaalsContact O-N 3.1Å; A88-F91 PolarHBondContact O-N 2.05Å; F91-R93 PolarHBondContact O-N 3.38Å; F91-R93 VanDerWaalsContact O-N 3.13Å; F91-H94 PolarHBondContact O-N 3.23Å; F91-L95 HydrophobicContact CD1-CG 4.47Å; F91-L95 HydrophobicContact CE1-CD1 4.25Å; F91-L95 HydrophobicContact CE1-CD2 3.72Å; F91-L95 HydrophobicContact CE1-CG 4.09Å; F91-L95 HydrophobicContact CZ-CD2 3.84Å; F91-V103 HydrophobicContact CE1-CG1 4.44Å; F91-V103 HydrophobicContact CZ-CG1 3.8Å; F91-R105 VanDerWaalsContact CD1-CD 3.42Å; F91-R105 HydrophobicContact CE1-CB 4.22Å; F91-R105 HydrophobicContact CZ-CB 4.25Å |
| 92 | R | 79.7 | Confident | 77 | Confident | 76 Ų | 76 | 55.7 Ų | 55.7 | 29% | 0.287 | 29% | 0.287 | S | S | . | . | G | 310 helix | trans | -55.6 | -32.5 | 177.9 | -168.4 | -174.7 | 72.3 | 95.5 | -3 | 113.4 | A88 L90 H94 L95 Y180 | A88-R92 PolarHBondContact O-N 2.84Å; L90-R92 PolarHBondContact O-N 3.14Å; R92-H94 PolarHBondContact O-N 2.87Å; R92-L95 PolarHBondContact O-N 2.98Å; R92-Y180 VanDerWaalsContact NH2-CZ 3.27Å; R92-Y180 PolarHBondContact NH2-OH 3.49Å; R92-Y180 VanDerWaalsContact NH2-OH 3.1Å |
| 93 | R | 80.4 | Confident | 77.9 | Confident | 195 Ų | 195 | 54.8 Ų | 54.8 | 74% | 0.736 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -70.3 | -18.8 | 179.7 | -61.8 | -175.8 | -179.5 | -126.6 | 2.8 | 112.8 | L90 F91 | L90-R93 WeakPolarHBondContact O-CB 3.42Å; L90-R93 PolarHBondContact O-N 2.8Å; F91-R93 PolarHBondContact O-N 3.38Å; F91-R93 VanDerWaalsContact O-N 3.13Å |
| 94 | H | 83.4 | Confident | 79.5 | Confident | 41 Ų | 41 | 49.3 Ų | 49.3 | 19% | 0.19 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -95.1 | -5.7 | 178.2 | -55.2 | 133.6 | 0 | 0 | 0 | 113.1 | A32 V36 Y82 F91 R92 K96 | A32-H94 PolarHBondContact N-O 2.97Å; V36-H94 VanDerWaalsContact CG2-CE1 3.45Å; V36-H94 WeakPolarHBondContact CG2-CE1 3.43Å; V36-H94 WeakPolarHBondContact CG2-NE2 3.2Å; Y82-H94 AromaticContact CE2-ND1 3.54Å; Y82-H94 AromaticContact CZ-ND1 3.6Å; Y82-H94 PolarHBondContact OH-CE1 3.26Å; Y82-H94 PolarHBondContact OH-ND1 2.95Å; F91-H94 PolarHBondContact O-N 3.23Å; R92-H94 PolarHBondContact O-N 2.87Å; H94-K96 PolarHBondContact O-N 2.86Å |
| 95 | L | 88.1 | Confident | 81.2 | Confident | 26 Ų | 26 | 48.1 Ų | 48.1 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 125.2 | 173.6 | -66.8 | 175 | 0 | 0 | 0 | 110 | F26 Y29 T30 F91 R92 V103 | F26-L95 HydrophobicContact CD1-CD1 3.53Å; F26-L95 HydrophobicContact CE1-CD1 3.67Å; F26-L95 HydrophobicContact CG-CD1 4.22Å; F26-L95 HydrophobicContact CZ-CD1 4.46Å; Y29-L95 HydrophobicContact CD1-CB 3.86Å; Y29-L95 HydrophobicContact CE1-CB 4.49Å; Y29-L95 HydrophobicContact CG-CB 4.39Å; T30-L95 WeakPolarHBondContact O-CA 3.13Å; F91-L95 HydrophobicContact CD1-CG 4.47Å; F91-L95 HydrophobicContact CE1-CD1 4.25Å; F91-L95 HydrophobicContact CE1-CD2 3.72Å; F91-L95 HydrophobicContact CE1-CG 4.09Å; F91-L95 HydrophobicContact CZ-CD2 3.84Å; R92-L95 PolarHBondContact O-N 2.98Å; L95-V103 HydrophobicContact CD2-CB 4.48Å; L95-V103 HydrophobicContact CD2-CG1 4.31Å; L95-V103 HydrophobicContact CD2-CG2 4.31Å |
| 96 | K | 90.1 | Very high | 82.9 | Confident | 133 Ų | 133 | 46.9 Ų | 46.9 | 58% | 0.578 | 23% | 0.226 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 134.2 | 171 | -178.5 | -175 | 174.8 | -170.9 | 0 | 108.3 | Y29 T30 H94 D98 | Y29-K96 CarbonylContact C-O 3.56Å; Y29-K96 VanDerWaalsContact CA-O 3.26Å; Y29-K96 WeakPolarHBondContact CA-O 3.31Å; T30-K96 HydrophobicContact CG2-CB 4.02Å; T30-K96 HydrophobicContact CG2-CD 4.33Å; T30-K96 HydrophobicContact CG2-CG 4.45Å; T30-K96 PolarHBondContact N-O 2.88Å; T30-K96 PolarHBondContact O-N 2.85Å; H94-K96 PolarHBondContact O-N 2.86Å; K96-D98 PolarHBondContact O-N 2.89Å |
| 97 | S | 91.2 | Very high | 84.5 | Confident | 73 Ų | 73 | 42.2 Ų | 42.2 | 51% | 0.51 | 20% | 0.201 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -61 | 127.8 | 174.2 | 179.1 | 0 | 0 | 0 | 0 | 110 | ||
| 98 | D | 92.9 | Very high | 85.3 | Confident | 43 Ų | 43 | 39.9 Ų | 39.9 | 23% | 0.23 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 101.6 | 177.6 | 178.4 | 5.1 | 0 | 0 | 0 | 108.2 | G28 Y29 T30 K96 D100 S101 | G28-D98 CarbonylContact C-O 3.58Å; G28-D98 VanDerWaalsContact CA-O 3.28Å; G28-D98 WeakPolarHBondContact CA-O 3.25Å; G28-D98 CarbonylContact O-C 3.6Å; G28-D98 PolarHBondContact O-N 2.9Å; Y29-D98 PolarHBondContact N-O 2.75Å; T30-D98 HydrophobicContact CG2-CB 3.62Å; K96-D98 PolarHBondContact O-N 2.89Å; D98-D100 PolarHBondContact O-N 3.06Å; D98-D100 PolarHBondContact OD1-N 3.49Å; D98-S101 PolarHBondContact O-N 2.79Å; D98-S101 VanDerWaalsContact O-N 3.12Å; D98-S101 WeakPolarHBondContact OD2-CB 3.35Å; D98-S101 PolarHBondContact OD2-OG 2.03Å |
| 99 | H | 92 | Very high | 86.1 | Confident | 42 Ų | 42 | 39.4 Ų | 39.4 | 19% | 0.194 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | -3.1 | -176 | -64.4 | -77.5 | 0 | 0 | 0 | 113.7 | L282 L283 S286 | H99-L282 PolarHBondContact CE1-O 2.86Å; H99-L282 PolarHBondContact ND1-O 2.91Å; H99-L283 HydrophobicContact CB-CD2 4.15Å; H99-L283 WeakPolarHBondContact ND1-CA 3.31Å; H99-S286 WeakPolarHBondContact O-CB 3.23Å; H99-S286 PolarHBondContact O-OG 3.35Å |
| 100 | D | 90.7 | Very high | 86.4 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 12% | 0.118 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 8.8 | 172.4 | -70.1 | -35.3 | 0 | 0 | 0 | 113.3 | H71 L72 D98 S286 S287 | H71-D100 CarbonylContact C-O 3.43Å; H71-D100 WeakPolarHBondContact CA-O 3.25Å; H71-D100 PolarHBondContact ND1-O 3.3Å; L72-D100 WeakPolarHBondContact CB-O 3.02Å; L72-D100 VanDerWaalsContact CG-O 3.31Å; L72-D100 WeakPolarHBondContact CG-O 3.5Å; L72-D100 PolarHBondContact N-O 2.64Å; D98-D100 PolarHBondContact O-N 3.06Å; D98-D100 PolarHBondContact OD1-N 3.49Å; D100-S286 WeakPolarHBondContact OD1-CA 3.29Å; D100-S286 WeakPolarHBondContact OD1-CB 3.45Å; D100-S286 PolarHBondContact OD1-OG 3.43Å; D100-S287 PolarHBondContact OD1-N 3.09Å; D100-S287 PolarHBondContact OD1-OG 3.1Å; D100-S287 VanDerWaalsContact OD2-CB 3.23Å; D100-S287 WeakPolarHBondContact OD2-CB 3.37Å; D100-S287 PolarHBondContact OD2-N 2.85Å; D100-S287 PolarHBondContact OD2-OG 3.38Å |
| 101 | S | 90.7 | Very high | 85.8 | Confident | 4 Ų | 4 | 37.6 Ų | 37.6 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 149.2 | 179.3 | -67.5 | 0 | 0 | 0 | 0 | 112.8 | G28 Y29 L70 D98 | G28-S101 PolarHBondContact N-O 3.49Å; Y29-S101 PolarHBondContact N-O 2.83Å; Y29-S101 CarbonylContact O-C 3.58Å; Y29-S101 VanDerWaalsContact O-C 3.28Å; Y29-S101 WeakPolarHBondContact O-CB 3.48Å; L70-S101 VanDerWaalsContact O-CA 3.31Å; L70-S101 WeakPolarHBondContact O-CA 3.05Å; D98-S101 PolarHBondContact O-N 2.79Å; D98-S101 VanDerWaalsContact O-N 3.12Å; D98-S101 WeakPolarHBondContact OD2-CB 3.35Å; D98-S101 PolarHBondContact OD2-OG 2.03Å |
| 102 | I | 91.6 | Very high | 84.4 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 2% | 0.015 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 133.6 | 170.4 | -56.9 | 179.9 | 0 | 0 | 0 | 107.6 | R25 F26 T69 L70 L72 F104 | R25-I102 HydrophobicContact CG-CG2 3.54Å; F26-I102 WeakPolarHBondContact O-CG2 3.4Å; T69-I102 CarbonylContact C-O 3.59Å; T69-I102 WeakPolarHBondContact CA-O 3.15Å; L70-I102 PolarHBondContact N-O 3.43Å; L70-I102 PolarHBondContact O-N 2.78Å; L72-I102 HydrophobicContact CD1-CD1 4.46Å; L72-I102 HydrophobicContact CD1-CG1 4.29Å; L72-I102 HydrophobicContact CD2-CD1 3.84Å; L72-I102 HydrophobicContact CD2-CG1 4.1Å; L72-I102 HydrophobicContact CG-CG1 4.46Å; I102-F104 HydrophobicContact CB-CE2 4.09Å; I102-F104 HydrophobicContact CG2-CD2 4.01Å; I102-F104 HydrophobicContact CG2-CE2 3.41Å; I102-F104 VanDerWaalsContact CG2-CE2 3.41Å; I102-F104 HydrophobicContact CG2-CZ 3.84Å |
| 103 | V | 93.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 133.2 | 178 | 175.3 | 0 | 0 | 0 | 0 | 109.2 | R25 F26 Y29 I31 V67 T69 F91 L95 | R25-V103 CarbonylContact C-O 3.58Å; R25-V103 WeakPolarHBondContact CA-O 3.47Å; F26-V103 HydrophobicContact CB-CB 4.18Å; F26-V103 HydrophobicContact CD2-CG1 4.49Å; F26-V103 PolarHBondContact N-O 2.99Å; F26-V103 PolarHBondContact O-N 3.03Å; Y29-V103 WeakPolarHBondContact O-CG2 3.43Å; I31-V103 HydrophobicContact CG1-CG1 4.44Å; I31-V103 HydrophobicContact CG1-CG2 4.36Å; V67-V103 HydrophobicContact CG1-CG1 3.48Å; V67-V103 VanDerWaalsContact CG1-CG1 3.48Å; T69-V103 HydrophobicContact CG2-CB 4.4Å; T69-V103 HydrophobicContact CG2-CG1 4.43Å; T69-V103 HydrophobicContact CG2-CG2 3.67Å; F91-V103 HydrophobicContact CE1-CG1 4.44Å; F91-V103 HydrophobicContact CZ-CG1 3.8Å; L95-V103 HydrophobicContact CD2-CB 4.48Å; L95-V103 HydrophobicContact CD2-CG1 4.31Å; L95-V103 HydrophobicContact CD2-CG2 4.31Å |
| 104 | F | 93.7 | Very high | 80.7 | Confident | 6 Ų | 6 | 35.6 Ų | 35.6 | 3% | 0.026 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 125.8 | 173.8 | -67.5 | -97.6 | 0 | 0 | 0 | 109.4 | F23 E24 R25 V67 Y68 L70 I102 W134 | F23-F104 HydrophobicContact CD1-CB 4.31Å; E24-F104 CarbonylContact O-C 3.56Å; E24-F104 VanDerWaalsContact O-CA 3.23Å; E24-F104 WeakPolarHBondContact O-CA 3.35Å; R25-F104 HydrophobicContact CB-CD1 3.92Å; R25-F104 HydrophobicContact CB-CE1 3.76Å; R25-F104 HydrophobicContact CB-CZ 4.46Å; R25-F104 VanDerWaalsContact CD-CE1 3.45Å; R25-F104 VanDerWaalsContact CD-CZ 3.48Å; R25-F104 HydrophobicContact CG-CD1 4.01Å; R25-F104 HydrophobicContact CG-CE1 3.51Å; R25-F104 HydrophobicContact CG-CE2 4.36Å; R25-F104 HydrophobicContact CG-CZ 3.71Å; V67-F104 CarbonylContact C-O 3.56Å; V67-F104 VanDerWaalsContact CA-O 3.25Å; V67-F104 WeakPolarHBondContact CA-O 3.47Å; V67-F104 VanDerWaalsContact CG1-O 3.27Å; V67-F104 WeakPolarHBondContact CG1-O 2.97Å; Y68-F104 HydrophobicContact CD1-CB 3.67Å; Y68-F104 HydrophobicContact CD2-CB 4.07Å; Y68-F104 AromaticContact CD2-CD2 3.96Å; Y68-F104 HydrophobicContact CD2-CD2 3.96Å; Y68-F104 HydrophobicContact CD2-CG 4.32Å; Y68-F104 HydrophobicContact CE1-CB 3.19Å; Y68-F104 HydrophobicContact CE1-CD1 4.49Å; Y68-F104 HydrophobicContact CE1-CD2 4.42Å; Y68-F104 AromaticContact CE1-CG 3.85Å; Y68-F104 HydrophobicContact CE1-CG 3.85Å; Y68-F104 HydrophobicContact CE2-CB 3.65Å; Y68-F104 HydrophobicContact CE2-CD1 4.4Å; Y68-F104 AromaticContact CE2-CD2 3.28Å; Y68-F104 HydrophobicContact CE2-CD2 3.28Å; Y68-F104 AromaticContact CE2-CE2 3.96Å; Y68-F104 HydrophobicContact CE2-CE2 3.96Å; Y68-F104 AromaticContact CE2-CG 3.54Å; Y68-F104 HydrophobicContact CE2-CG 3.54Å; Y68-F104 HydrophobicContact CG-CB 4.09Å; Y68-F104 AromaticContact CZ-CD1 3.83Å; Y68-F104 AromaticContact CZ-CD2 3.55Å; Y68-F104 AromaticContact CZ-CG 3.25Å; Y68-F104 PolarHBondContact N-O 3.17Å; Y68-F104 PolarHBondContact O-N 2.76Å; Y68-F104 WeakPolarHBondContact OH-CB 3.02Å; Y68-F104 WeakPolarHBondContact OH-CD1 3.45Å; Y68-F104 WeakPolarHBondContact OH-CG 3.36Å; L70-F104 HydrophobicContact CD1-CD2 4.17Å; L70-F104 HydrophobicContact CD1-CE2 3.53Å; L70-F104 HydrophobicContact CD1-CZ 4.31Å; L70-F104 HydrophobicContact CG-CD2 4.38Å; L70-F104 HydrophobicContact CG-CE2 4.12Å; I102-F104 HydrophobicContact CB-CE2 4.09Å; I102-F104 HydrophobicContact CG2-CD2 4.01Å; I102-F104 HydrophobicContact CG2-CE2 3.41Å; I102-F104 VanDerWaalsContact CG2-CE2 3.41Å; I102-F104 HydrophobicContact CG2-CZ 3.84Å; F104-W134 HydrophobicContact CD1-CE3 4.36Å; F104-W134 AromaticContact CE1-CD2 3.84Å; F104-W134 HydrophobicContact CE1-CD2 3.84Å; F104-W134 AromaticContact CE1-CE3 3.57Å; F104-W134 HydrophobicContact CE1-CE3 3.57Å; F104-W134 HydrophobicContact CE1-CG 4.29Å; F104-W134 HydrophobicContact CE1-CZ3 4.02Å; F104-W134 HydrophobicContact CZ-CE3 4.45Å; F104-W134 HydrophobicContact CZ-CZ3 4.48Å |
| 105 | R | 91.2 | Very high | 78.8 | Confident | 12 Ų | 12 | 39.5 Ų | 39.5 | 5% | 0.045 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 138.1 | -178.6 | 166.1 | 168.7 | 173 | -112.9 | 2.2 | 110 | F23 E24 F26 V67 N86 A88 F91 T107 | F23-R105 CarbonylContact C-O 3.45Å; F23-R105 VanDerWaalsContact CA-O 3.26Å; F23-R105 WeakPolarHBondContact CA-O 3.44Å; F23-R105 WeakPolarHBondContact CD1-O 3.49Å; E24-R105 HydrophobicContact CG-CB 3.84Å; E24-R105 HydrophobicContact CG-CG 4.26Å; E24-R105 WeakPolarHBondContact CG-O 3.27Å; E24-R105 PolarHBondContact N-O 2.93Å; E24-R105 PolarHBondContact O-N 3.34Å; E24-R105 WeakPolarHBondContact OE1-CD 3.23Å; E24-R105 WeakPolarHBondContact OE1-CG 3.19Å; E24-R105 IonicContact OE1-CZ 2.68Å; E24-R105 IonicContact OE1-NE 3.04Å; E24-R105 IonicContact OE1-NH1 3.97Å; E24-R105 PolarHBondContact OE1-NH1 3.14Å; F26-R105 HydrophobicContact CE2-CB 4.22Å; V67-R105 HydrophobicContact CG1-CB 4.39Å; V67-R105 HydrophobicContact CG2-CB 4.17Å; V67-R105 HydrophobicContact CG2-CG 4.17Å; N86-R105 PolarHBondContact O-NH2 3.22Å; N86-R105 VanDerWaalsContact O-NH2 3.15Å; A88-R105 VanDerWaalsContact CA-NH2 3.33Å; A88-R105 VanDerWaalsContact CB-NH1 3.26Å; F91-R105 VanDerWaalsContact CD1-CD 3.42Å; F91-R105 HydrophobicContact CE1-CB 4.22Å; F91-R105 HydrophobicContact CZ-CB 4.25Å; R105-T107 PolarHBondContact O-N 2.96Å |
| 106 | K | 89.3 | Confident | 76.9 | Confident | 19 Ų | 19 | 46.7 Ų | 46.7 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 128.4 | 167.1 | -71.9 | -170.5 | -175.2 | 169.4 | 0 | 108.7 | D22 F23 C59 Q60 D62 C65 F66 | D22-K106 CarbonylContact O-C 3.48Å; D22-K106 WeakPolarHBondContact O-CA 3.38Å; F23-K106 HydrophobicContact CD1-CG 3.97Å; F23-K106 HydrophobicContact CE1-CB 4.37Å; F23-K106 HydrophobicContact CE1-CD 4.39Å; F23-K106 HydrophobicContact CE1-CG 3.33Å; F23-K106 HydrophobicContact CE2-CG 3.96Å; F23-K106 HydrophobicContact CZ-CD 4.02Å; F23-K106 HydrophobicContact CZ-CG 3.36Å; C59-K106 WeakPolarHBondContact O-CE 3.31Å; C59-K106 PolarHBondContact O-NZ 3.31Å; Q60-K106 PolarHBondContact O-NZ 2.95Å; D62-K106 PolarHBondContact O-NZ 2.72Å; C65-K106 WeakPolarHBondContact O-CD 3.21Å; C65-K106 WeakPolarHBondContact O-CE 3.45Å; C65-K106 PolarHBondContact O-NZ 3.03Å; F66-K106 PolarHBondContact O-N 2.93Å |
| 107 | T | 86.3 | Confident | 74.6 | Confident | 5 Ų | 5 | 47.7 Ų | 47.7 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 145.8 | 174.6 | -172.6 | 0 | 0 | 0 | 0 | 109.3 | D22 R105 L109 E162 | D22-T107 HydrophobicContact CB-CG2 4.06Å; D22-T107 PolarHBondContact N-O 3.11Å; D22-T107 PolarHBondContact O-N 3.41Å; R105-T107 PolarHBondContact O-N 2.96Å; T107-L109 HydrophobicContact CG2-CD2 4.41Å; T107-E162 PolarHBondContact OG1-OE2 3.02Å |
| 108 | C | 82.8 | Confident | 72.2 | Confident | 21 Ų | 21 | 53.2 Ų | 53.2 | 14% | 0.142 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 112.1 | 176.6 | 174.7 | 0 | 0 | 0 | 0 | 109 | C19 S159 | C19-C108 HydrophobicContact CB-CB 4.41Å; C19-C108 WeakPolarHBondContact CB-SG 3.06Å; C19-C108 WeakPolarHBondContact SG-CA 3.49Å; C19-C108 WeakPolarHBondContact SG-CB 3.35Å; C19-C108 CovalentContact SG-SG 2Å; C19-C108 PolarHBondContact SG-SG 3.24Å; C108-S159 WeakPolarHBondContact O-CB 3.48Å; C108-S159 PolarHBondContact O-OG 2.91Å |
| 109 | L | 82.6 | Confident | 69.8 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 114.4 | 170.7 | -58.6 | 179.9 | 0 | 0 | 0 | 108.4 | R20 D22 T107 S111 V127 R135 E162 | R20-L109 PolarHBondContact N-O 2.87Å; R20-L109 PolarHBondContact O-N 2.63Å; D22-L109 HydrophobicContact CB-CD1 3.84Å; D22-L109 HydrophobicContact CB-CG 4.15Å; D22-L109 VanDerWaalsContact OD2-CD1 3.27Å; D22-L109 WeakPolarHBondContact OD2-CD1 3.3Å; T107-L109 HydrophobicContact CG2-CD2 4.41Å; L109-S111 PolarHBondContact O-N 2.85Å; L109-V127 HydrophobicContact CB-CG1 4.17Å; L109-V127 HydrophobicContact CB-CG2 4.09Å; L109-V127 HydrophobicContact CD1-CG1 3.85Å; L109-R135 VanDerWaalsContact CD1-NE 3.35Å; L109-E162 HydrophobicContact CD2-CB 3.76Å |
| 110 | L | 72.7 | Confident | 67.2 | Low | 36 Ų | 36 | 64.3 Ų | 64.3 | 19% | 0.188 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 127.4 | -174.5 | -62.7 | 172.2 | 0 | 0 | 0 | 109.4 | M112 M160 T163 | L110-M112 PolarHBondContact O-N 2.82Å; L110-M160 HydrophobicContact CD1-CE 3.99Å; L110-M160 HydrophobicContact CD1-CG 4.04Å; L110-T163 PolarHBondContact N-OG1 3.33Å; L110-T163 VanDerWaalsContact O-CG2 3.24Å; L110-T163 WeakPolarHBondContact O-CG2 3.22Å |
| 111 | S | 57.9 | Low | 64.8 | Low | 32 Ų | 32 | 71.3 Ų | 71.3 | 22% | 0.224 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 121 | 155.5 | 73 | 0 | 0 | 0 | 0 | 106.8 | A18 L109 | A18-S111 WeakPolarHBondContact CB-OG 3.38Å; A18-S111 PolarHBondContact N-OG 2.72Å; A18-S111 WeakPolarHBondContact O-CB 3.41Å; A18-S111 PolarHBondContact O-N 2.84Å; A18-S111 PolarHBondContact O-OG 2.81Å; L109-S111 PolarHBondContact O-N 2.85Å |
| 112 | M | 50.9 | Low | 62.6 | Low | 91 Ų | 91 | 78.9 Ų | 78.9 | 45% | 0.448 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -50.3 | 130.8 | -176.9 | -72.5 | -69 | -76.6 | 0 | 0 | 110.8 | L110 T163 | L110-M112 PolarHBondContact O-N 2.82Å; M112-T163 HydrophobicContact SD-CG2 4.37Å |
| 113 | P | 44 | Very low | 60.3 | Low | 54 Ų | 54 | 82.5 Ų | 82.5 | 35% | 0.351 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 142.4 | -178 | -18.5 | 27.7 | 0 | 0 | 0 | 111.4 | L15 T17 N115 F116 | L15-P113 HydrophobicContact CD2-CB 4.44Å; T17-P113 HydrophobicContact CG2-CB 4.2Å; T17-P113 HydrophobicContact CG2-CG 3.88Å; P113-N115 PolarHBondContact O-N 3.25Å; P113-F116 PolarHBondContact O-N 3.49Å |
| 114 | S | 38.8 | Very low | 57.8 | Low | 84 Ų | 84 | 88.5 Ų | 88.5 | 59% | 0.587 | 45% | 0.45 | S | S | * | . | G | 310 helix | trans | -54 | -12.8 | 177.2 | 46.9 | 0 | 0 | 0 | 0 | 115.1 | F116 K117 | S114-F116 VanDerWaalsContact C-N 3.32Å; S114-F116 PolarHBondContact O-N 3.29Å; S114-K117 VanDerWaalsContact O-CB 3.23Å; S114-K117 WeakPolarHBondContact O-CB 3.47Å; S114-K117 PolarHBondContact O-N 3.04Å |
| 115 | N | 43.7 | Very low | 55.8 | Low | 124 Ų | 124 | 92 Ų | 92 | 66% | 0.663 | 48% | 0.48 | S | S | * | . | G | 310 helix | trans | -86.3 | -3.6 | -173.3 | -56.7 | 0.2 | 0 | 0 | 0 | 113 | P113 | P113-N115 PolarHBondContact O-N 3.25Š|
| 116 | F | 48.9 | Very low | 54.1 | Low | 177 Ų | 177 | 93.7 Ų | 93.7 | 78% | 0.776 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -98.4 | 16.7 | 170.9 | -126 | -92.4 | 0 | 0 | 0 | 113.1 | P113 S114 H118 | P113-F116 PolarHBondContact O-N 3.49Å; S114-F116 VanDerWaalsContact C-N 3.32Å; S114-F116 PolarHBondContact O-N 3.29Å; F116-H118 PolarHBondContact O-N 3.44Å |
| 117 | K | 40.8 | Very low | 53 | Low | 154 Ų | 154 | 93.3 Ų | 93.3 | 67% | 0.67 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -75 | 1.1 | -173.4 | -158.4 | 173.3 | -175.4 | -173.4 | 0 | 114.4 | S114 Y119 | S114-K117 VanDerWaalsContact O-CB 3.23Å; S114-K117 WeakPolarHBondContact O-CB 3.47Å; S114-K117 PolarHBondContact O-N 3.04Å; K117-Y119 VanDerWaalsContact C-N 3.29Å; K117-Y119 PolarHBondContact O-N 3.12Å |
| 118 | H | 41.5 | Very low | 52.3 | Low | 188 Ų | 188 | 96.6 Ų | 96.6 | 87% | 0.87 | 52% | 0.522 | S | S | * | . | G | 310 helix | trans | -84.2 | 13.3 | -173.3 | -141.1 | -67.7 | 0 | 0 | 0 | 115.6 | F116 | F116-H118 PolarHBondContact O-N 3.44Š|
| 119 | Y | 42.5 | Very low | 51.9 | Low | 214 Ų | 214 | 99.6 Ų | 99.6 | 84% | 0.839 | 54% | 0.543 | S | S | * | . | G | 310 helix | trans | -144.6 | 3.1 | 174.8 | -150.3 | -101.1 | 0 | 0 | 0 | 116.4 | K117 | K117-Y119 VanDerWaalsContact C-N 3.29Å; K117-Y119 PolarHBondContact O-N 3.12Å |
| 120 | L | 37.1 | Very low | 51.7 | Low | 104 Ų | 104 | 101 Ų | 101 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | trans | -144.8 | 90.6 | -176 | -68.7 | 171.3 | 0 | 0 | 0 | 112.8 | Q122 L123 | L120-Q122 PolarHBondContact O-N 3.17Å; L120-L123 HydrophobicContact CB-CD1 3.61Å; L120-L123 HydrophobicContact CD1-CD1 3.37Å; L120-L123 HydrophobicContact CG-CD1 4.02Å | ||
| 121 | D | 39.7 | Very low | 52.2 | Low | 170 Ų | 170 | 101.6 Ų | 101.6 | 91% | 0.909 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 25.2 | 169.9 | -85.6 | -24.9 | 0 | 0 | 0 | 114.4 | ||
| 122 | Q | 45.5 | Very low | 53.8 | Low | 163 Ų | 163 | 101.8 Ų | 101.8 | 76% | 0.762 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.9 | 19.7 | 179.2 | -70.7 | -174.6 | -9.7 | 0 | 0 | 114.3 | L120 K169 | L120-Q122 PolarHBondContact O-N 3.17Å; Q122-K169 PolarHBondContact O-NZ 2.87Å; Q122-K169 VanDerWaalsContact O-NZ 3.12Å |
| 123 | L | 43.3 | Very low | 55.7 | Low | 78 Ų | 78 | 98 Ų | 98 | 41% | 0.408 | 55% | 0.546 | S | S | . | . | trans | -109.2 | 78.1 | 172.2 | -91 | 102.2 | 0 | 0 | 0 | 111.8 | L120 | L120-L123 HydrophobicContact CB-CD1 3.61Å; L120-L123 HydrophobicContact CD1-CD1 3.37Å; L120-L123 HydrophobicContact CG-CD1 4.02Å | ||
| 124 | S | 41.4 | Very low | 58 | Low | 127 Ų | 127 | 95.8 Ų | 95.8 | 89% | 0.888 | 53% | 0.53 | S | S | * | . | trans | -101.9 | -2.4 | 160.7 | 52.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 125 | A | 51 | Low | 60.6 | Low | 78 Ų | 78 | 92 Ų | 92 | 65% | 0.645 | 50% | 0.503 | S | S | * | . | trans | -99.3 | 113.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 126 | G | 55.7 | Low | 63.1 | Low | 48 Ų | 48 | 86.1 Ų | 86.1 | 50% | 0.495 | 47% | 0.472 | S | S | . | . | trans | -60.1 | -174.9 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P128 | G126-P128 WeakPolarHBondContact O-CD 3.43Å; G126-P128 VanDerWaalsContact O-N 3.15Å | ||
| 127 | V | 64.9 | Low | 65.2 | Low | 12 Ų | 12 | 77.7 Ų | 77.7 | 7% | 0.073 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -55.3 | 120.2 | -178.4 | -179.8 | 0 | 0 | 0 | 0 | 110.7 | R20 L109 T166 T167 | R20-V127 PolarHBondContact NH1-O 2.92Å; R20-V127 VanDerWaalsContact NH1-O 3.09Å; L109-V127 HydrophobicContact CB-CG1 4.17Å; L109-V127 HydrophobicContact CB-CG2 4.09Å; L109-V127 HydrophobicContact CD1-CG1 3.85Å; V127-T166 HydrophobicContact CG1-CG2 3.66Å; V127-T167 HydrophobicContact CG2-CG2 4.34Å |
| 128 | P | 72.3 | Confident | 67.8 | Low | 73 Ų | 73 | 70.4 Ų | 70.4 | 47% | 0.474 | 40% | 0.403 | S | S | . | . | P | Polyproline II helix | trans | -62.5 | 139.2 | -174.3 | 22.9 | -32.9 | 0 | 0 | 0 | 111.9 | G126 R135 T166 | G126-P128 WeakPolarHBondContact O-CD 3.43Å; G126-P128 VanDerWaalsContact O-N 3.15Å; P128-R135 PolarHBondContact O-NH1 3.36Å; P128-R135 PolarHBondContact O-NH2 3.15Å; P128-T166 HydrophobicContact CG-CG2 4.28Å |
| 129 | S | 74.1 | Confident | 70.3 | Confident | 85 Ų | 85 | 61.9 Ų | 61.9 | 59% | 0.594 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 133 | 174.5 | -166.4 | 0 | 0 | 0 | 0 | 111 | R20 | R20-S129 VanDerWaalsContact CZ-CA 3.43Å; R20-S129 VanDerWaalsContact NH1-CB 3.26Å; R20-S129 VanDerWaalsContact NH2-CA 3.3Å; R20-S129 VanDerWaalsContact NH2-CB 3.26Å; R20-S129 PolarHBondContact NH2-OG 2.82Å |
| 130 | C | 78.1 | Confident | 72.6 | Confident | 30 Ų | 30 | 52.6 Ų | 52.6 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | trans | -116.8 | -2.4 | 175.2 | 59 | 0 | 0 | 0 | 0 | 115.3 | F132 R135 C213 | C130-F132 WeakPolarHBondContact O-CD1 3.22Å; C130-F132 PolarHBondContact O-N 2.77Å; C130-R135 PolarHBondContact SG-NH1 2.97Å; C130-R135 PolarHBondContact SG-NH2 2.87Å; C130-C213 HydrophobicContact CB-CB 3.17Å; C130-C213 WeakPolarHBondContact CB-SG 3.36Å; C130-C213 WeakPolarHBondContact SG-CB 3.31Å; C130-C213 CovalentContact SG-SG 2.01Å; C130-C213 PolarHBondContact SG-SG 3.15Å | ||
| 131 | G | 83.9 | Confident | 75.2 | Confident | 48 Ų | 48 | 52.8 Ų | 52.8 | 50% | 0.495 | 33% | 0.326 | S | S | . | . | trans | 64.6 | -4.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 132 | F | 91.2 | Very high | 77.7 | Confident | 35 Ų | 35 | 46.2 Ų | 46.2 | 15% | 0.154 | 29% | 0.291 | C | S | . | . | trans | -76.4 | 153 | 177 | -70.8 | 2 | 0 | 0 | 0 | 110.9 | C130 W134 Q212 N254 K255 L257 | C130-F132 WeakPolarHBondContact O-CD1 3.22Å; C130-F132 PolarHBondContact O-N 2.77Å; F132-W134 WeakPolarHBondContact CB-O 3.44Å; F132-W134 PolarHBondContact O-N 2.87Å; F132-Q212 HydrophobicContact CD2-CB 4.25Å; F132-Q212 WeakPolarHBondContact CE2-O 3.15Å; F132-N254 WeakPolarHBondContact CD1-O 3.47Å; F132-K255 CarbonylContact C-O 3.54Å; F132-K255 VanDerWaalsContact CA-O 3.23Å; F132-K255 WeakPolarHBondContact CA-O 2.94Å; F132-L257 HydrophobicContact CE2-CB 3.99Å; F132-L257 HydrophobicContact CZ-CB 4.44Å | ||
| 133 | M | 91.4 | Very high | 79.9 | Confident | 12 Ų | 12 | 38.7 Ų | 38.7 | 6% | 0.059 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -67.9 | -23.9 | 178.6 | -67.7 | 169.1 | 63.1 | 0 | 0 | 112.3 | F23 R53 H56 K255 | F23-M133 WeakPolarHBondContact CB-O 3.43Å; R53-M133 HydrophobicContact CB-CE 4.35Å; H56-M133 HydrophobicContact CB-CE 3.42Å; H56-M133 VanDerWaalsContact CB-CE 3.42Å; H56-M133 PolarHBondContact CE1-O 3.17Å; M133-K255 HydrophobicContact CG-CB 4.19Å; M133-K255 PolarHBondContact N-O 3.49Å; M133-K255 HydrophobicContact SD-CB 4.05Å |
| 134 | W | 92.9 | Very high | 82 | Confident | 8 Ų | 8 | 35.2 Ų | 35.2 | 3% | 0.03 | 24% | 0.238 | C | C | . | . | trans | -148.3 | 155.2 | 169.8 | 65.4 | 98.9 | 0 | 0 | 0 | 109.4 | F23 R25 F104 F132 D137 F256 P274 | F23-W134 HydrophobicContact CB-CB 3.83Å; F23-W134 CarbonylContact O-C 3.52Å; F23-W134 WeakPolarHBondContact O-CA 3.39Å; F23-W134 VanDerWaalsContact O-CB 3.3Å; F23-W134 WeakPolarHBondContact O-CB 3.33Å; R25-W134 HydrophobicContact CB-CD2 4.4Å; R25-W134 HydrophobicContact CB-CG 3.99Å; F104-W134 HydrophobicContact CD1-CE3 4.36Å; F104-W134 AromaticContact CE1-CD2 3.84Å; F104-W134 HydrophobicContact CE1-CD2 3.84Å; F104-W134 AromaticContact CE1-CE3 3.57Å; F104-W134 HydrophobicContact CE1-CE3 3.57Å; F104-W134 HydrophobicContact CE1-CG 4.29Å; F104-W134 HydrophobicContact CE1-CZ3 4.02Å; F104-W134 HydrophobicContact CZ-CE3 4.45Å; F104-W134 HydrophobicContact CZ-CZ3 4.48Å; F132-W134 WeakPolarHBondContact CB-O 3.44Å; F132-W134 PolarHBondContact O-N 2.87Å; W134-D137 PolarHBondContact NE1-OD1 3.23Å; W134-F256 HydrophobicContact CH2-CB 3.73Å; W134-F256 HydrophobicContact CH2-CD1 4.37Å; W134-F256 HydrophobicContact CH2-CG 4.18Å; W134-F256 HydrophobicContact CZ2-CB 4.09Å; W134-F256 HydrophobicContact CZ3-CB 4.24Å; W134-P274 HydrophobicContact CH2-CB 4.21Å; W134-P274 HydrophobicContact CH2-CG 3.73Å; W134-P274 HydrophobicContact CZ2-CB 3.83Å; W134-P274 HydrophobicContact CZ2-CG 3.67Å | ||
| 135 | R | 93.2 | Very high | 84 | Confident | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.019 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -100.5 | -38.1 | -178.9 | -176.3 | 175.9 | -59.7 | -96.4 | 4.3 | 112.9 | D22 F23 L109 P128 C130 Q212 C213 | D22-R135 IonicContact OD2-CZ 3.78Å; D22-R135 VanDerWaalsContact OD2-CZ 3.29Å; D22-R135 IonicContact OD2-NE 3.21Å; D22-R135 PolarHBondContact OD2-NE 2.64Å; D22-R135 IonicContact OD2-NH2 2.9Å; D22-R135 PolarHBondContact OD2-NH2 3.5Å; F23-R135 PolarHBondContact O-N 2.75Å; L109-R135 VanDerWaalsContact CD1-NE 3.35Å; P128-R135 PolarHBondContact O-NH1 3.36Å; P128-R135 PolarHBondContact O-NH2 3.15Å; C130-R135 PolarHBondContact SG-NH1 2.97Å; C130-R135 PolarHBondContact SG-NH2 2.87Å; R135-Q212 WeakPolarHBondContact O-CB 3.36Å; R135-Q212 WeakPolarHBondContact O-CG 3.23Å; R135-Q212 PolarHBondContact O-N 3.31Å; R135-C213 HydrophobicContact CG-CB 3.94Å |
| 136 | Y | 94.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 131.2 | -174.4 | -76 | -81.2 | 0 | 0 | 0 | 111.6 | E24 R25 E162 T166 L209 E210 N211 | E24-Y136 CarbonylContact C-O 3.55Å; E24-Y136 WeakPolarHBondContact CA-O 3.46Å; R25-Y136 PolarHBondContact N-O 3.21Å; Y136-E162 WeakPolarHBondContact CB-OE1 3.31Å; Y136-E162 HydrophobicContact CD1-CG 4.41Å; Y136-E162 HydrophobicContact CD2-CB 3.88Å; Y136-E162 HydrophobicContact CD2-CG 3.7Å; Y136-E162 WeakPolarHBondContact CD2-OE1 3.42Å; Y136-E162 HydrophobicContact CE1-CG 4.49Å; Y136-E162 HydrophobicContact CE2-CB 3.49Å; Y136-E162 VanDerWaalsContact CE2-CB 3.49Å; Y136-E162 HydrophobicContact CE2-CG 3.82Å; Y136-E162 HydrophobicContact CG-CG 4.05Å; Y136-E162 PolarHBondContact OH-O 2.79Å; Y136-T166 PolarHBondContact OH-N 2.82Å; Y136-T166 PolarHBondContact OH-OG1 2.83Å; Y136-L209 HydrophobicContact CD1-CB 3.91Å; Y136-L209 HydrophobicContact CE1-CB 4.31Å; Y136-E210 WeakPolarHBondContact CA-O 3.14Å; Y136-N211 HydrophobicContact CD1-CB 4.41Å; Y136-N211 HydrophobicContact CE1-CB 3.72Å |
| 137 | D | 95.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 128.5 | 156.7 | -78.7 | -2.3 | 0 | 0 | 0 | 107.4 | R25 I27 W134 R192 E210 R259 | R25-D137 IonicContact CZ-OD1 2.64Å; R25-D137 IonicContact CZ-OD2 3.92Å; R25-D137 IonicContact NE-OD1 2.81Å; R25-D137 PolarHBondContact NE-OD1 2.81Å; R25-D137 IonicContact NE-OD2 3.28Å; R25-D137 IonicContact NH2-OD1 2.88Å; R25-D137 PolarHBondContact NH2-OD1 3.22Å; R25-D137 IonicContact NH2-OD2 3.41Å; R25-D137 PolarHBondContact NH2-OD2 3.08Å; R25-D137 WeakPolarHBondContact O-CA 3.41Å; I27-D137 HydrophobicContact CD1-CB 4.28Å; W134-D137 PolarHBondContact NE1-OD1 3.23Å; D137-R192 IonicContact OD2-CZ 3.01Å; D137-R192 IonicContact OD2-NH2 3.9Å; D137-R192 PolarHBondContact OD2-NH2 2.75Å; D137-E210 HydrophobicContact CB-CB 4.25Å; D137-E210 PolarHBondContact N-O 2.86Å; D137-E210 PolarHBondContact O-N 2.92Å; D137-R259 IonicContact OD2-NH1 3.39Å |
| 138 | V | 94.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 120.2 | -178.3 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | E24 R25 F26 I207 L209 | E24-V138 HydrophobicContact CB-CG2 3.88Å; R25-V138 PolarHBondContact O-N 3.47Å; F26-V138 HydrophobicContact CD1-CB 3.8Å; F26-V138 HydrophobicContact CD1-CG1 3.72Å; F26-V138 HydrophobicContact CE1-CB 3.74Å; F26-V138 HydrophobicContact CE1-CG1 3.32Å; F26-V138 HydrophobicContact CE1-CG2 4.34Å; F26-V138 HydrophobicContact CE2-CB 4.46Å; F26-V138 HydrophobicContact CE2-CG2 4.41Å; F26-V138 HydrophobicContact CG-CB 4.19Å; F26-V138 HydrophobicContact CZ-CB 4.07Å; F26-V138 HydrophobicContact CZ-CG1 3.91Å; F26-V138 HydrophobicContact CZ-CG2 4.17Å; V138-I207 HydrophobicContact CG1-CG2 3.46Å; V138-I207 VanDerWaalsContact CG1-CG2 3.46Å; V138-L209 HydrophobicContact CB-CD2 4.45Å; V138-L209 HydrophobicContact CG1-CD2 4.05Å; V138-L209 HydrophobicContact CG2-CD2 3.88Å |
| 139 | V | 93.1 | Very high | 86.3 | Confident | 10 Ų | 10 | 38 Ų | 38 | 6% | 0.061 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 96.4 | -179.9 | -162.3 | 0 | 0 | 0 | 0 | 108.8 | I27 M142 Y208 L282 | I27-V139 HydrophobicContact CD1-CG2 4.47Å; V139-M142 HydrophobicContact CB-CB 4.29Å; V139-M142 HydrophobicContact CB-CG 4.17Å; V139-M142 HydrophobicContact CG1-CB 4.07Å; V139-M142 HydrophobicContact CG1-CG 3.41Å; V139-M142 VanDerWaalsContact CG1-CG 3.41Å; V139-Y208 HydrophobicContact CB-CD1 4.22Å; V139-Y208 HydrophobicContact CG2-CD1 4.15Å; V139-Y208 PolarHBondContact N-O 3.38Å; V139-Y208 WeakPolarHBondContact O-CB 3.4Å; V139-Y208 PolarHBondContact O-N 3.16Å; V139-L282 HydrophobicContact CG1-CD1 3.92Å; V139-L282 HydrophobicContact CG1-CD2 3.96Å; V139-L282 HydrophobicContact CG2-CD1 4.07Å |
| 140 | P | 91.9 | Very high | 86.7 | Confident | 18 Ų | 18 | 35.6 Ų | 35.6 | 12% | 0.117 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.8 | 149.4 | 177.3 | -23.6 | 34.9 | 0 | 0 | 0 | 112 | Y29 M142 | Y29-P140 HydrophobicContact CE2-CG 3.91Å; P140-M142 PolarHBondContact O-N 2.79Å |
| 141 | K | 90.8 | Very high | 87 | Confident | 108 Ų | 108 | 34.7 Ų | 34.7 | 47% | 0.47 | 19% | 0.187 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 24.2 | 177.8 | -48.4 | -177.9 | 179.8 | 179.3 | 0 | 114.6 | G202 Q206 | K141-G202 PolarHBondContact O-N 3.03Å; K141-Q206 WeakPolarHBondContact CA-O 3.25Å; K141-Q206 PolarHBondContact N-O 2.63Å |
| 142 | M | 91.9 | Very high | 87.3 | Confident | 32 Ų | 32 | 35.3 Ų | 35.3 | 16% | 0.158 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 156 | 173.9 | -63.6 | -57.8 | -71.6 | 0 | 0 | 110.6 | V139 P140 F199 H200 Y208 | V139-M142 HydrophobicContact CB-CB 4.29Å; V139-M142 HydrophobicContact CB-CG 4.17Å; V139-M142 HydrophobicContact CG1-CB 4.07Å; V139-M142 HydrophobicContact CG1-CG 3.41Å; V139-M142 VanDerWaalsContact CG1-CG 3.41Å; P140-M142 PolarHBondContact O-N 2.79Å; M142-F199 HydrophobicContact CB-CE2 3.76Å; M142-F199 HydrophobicContact CB-CZ 3.77Å; M142-F199 HydrophobicContact CE-CD1 3.82Å; M142-F199 HydrophobicContact CE-CE1 3.3Å; M142-F199 HydrophobicContact CE-CE2 4.06Å; M142-F199 HydrophobicContact CE-CG 4.41Å; M142-F199 HydrophobicContact CE-CZ 3.44Å; M142-F199 VanDerWaalsContact CE-CZ 3.44Å; M142-F199 HydrophobicContact CG-CE2 4.38Å; M142-F199 HydrophobicContact CG-CZ 3.87Å; M142-H200 VanDerWaalsContact CE-C 3.46Å; M142-H200 VanDerWaalsContact CE-O 3.32Å; M142-H200 WeakPolarHBondContact CE-O 3.25Å; M142-Y208 WeakPolarHBondContact O-CB 3.24Å |
| 143 | S | 91.8 | Very high | 87.3 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 4% | 0.035 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 169.4 | 177.7 | -167.9 | 0 | 0 | 0 | 0 | 111.3 | H200 | S143-H200 PolarHBondContact N-O 2.75Å; S143-H200 PolarHBondContact O-N 2.87Å |
| 144 | V | 87.9 | Confident | 87.3 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 3% | 0.03 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 157.9 | 162 | -66.4 | 0 | 0 | 0 | 0 | 109.8 | I149 I177 D198 F199 H200 Y208 | V144-I149 HydrophobicContact CG2-CD1 4.27Å; V144-I177 HydrophobicContact CG2-CD1 3.48Å; V144-I177 VanDerWaalsContact CG2-CD1 3.48Å; V144-I177 HydrophobicContact CG2-CG1 4.39Å; V144-D198 WeakPolarHBondContact CA-O 3.29Å; V144-F199 HydrophobicContact CG1-CD2 4.24Å; V144-H200 VanDerWaalsContact C-CE1 3.45Å; V144-Y208 HydrophobicContact CG1-CD2 4.46Å; V144-Y208 HydrophobicContact CG1-CE2 3.76Å |
| 145 | R | 83.8 | Confident | 87.2 | Confident | 101 Ų | 101 | 46.9 Ų | 46.9 | 38% | 0.381 | 23% | 0.225 | S | C | . | . | trans | -59.7 | 144.2 | -178 | -156.4 | 176.9 | 81.7 | -154.2 | 12.3 | 111.8 | D147 Y148 D198 H200 | R145-D147 VanDerWaalsContact C-N 3.31Å; R145-D147 IonicContact CZ-OD2 3.95Å; R145-D147 IonicContact NE-OD2 3.94Å; R145-D147 PolarHBondContact NE-OD2 3.18Å; R145-D147 IonicContact NH2-OD2 3.85Å; R145-D147 PolarHBondContact NH2-OD2 3.49Å; R145-D147 PolarHBondContact O-N 2.91Å; R145-Y148 HydrophobicContact CB-CD2 3.7Å; R145-Y148 HydrophobicContact CB-CE2 3.79Å; R145-Y148 PolarHBondContact NH1-OH 3Å; R145-Y148 WeakPolarHBondContact O-CB 3.16Å; R145-Y148 PolarHBondContact O-N 3.48Å; R145-D198 HydrophobicContact CB-CB 4.19Å; R145-D198 IonicContact CZ-OD1 3.45Å; R145-D198 PolarHBondContact N-O 3.24Å; R145-D198 IonicContact NE-OD1 2.77Å; R145-D198 IonicContact NH1-OD1 3.18Å; R145-D198 PolarHBondContact NH1-OD1 3.5Å; R145-D198 IonicContact NH1-OD2 3.36Å; R145-H200 PolarHBondContact N-CE1 2.03Å | ||
| 146 | L | 70.5 | Confident | 86.8 | Confident | 119 Ų | 119 | 52.4 Ų | 52.4 | 62% | 0.623 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -63.6 | -30.1 | -171.1 | -69.8 | 174.6 | 0 | 0 | 0 | 114.4 | Y148 I149 | L146-Y148 PolarHBondContact O-N 2.76Å; L146-I149 HydrophobicContact CD2-CG1 4.32Å; L146-I149 WeakPolarHBondContact O-CB 3.2Å; L146-I149 WeakPolarHBondContact O-CG1 3.13Å; L146-I149 PolarHBondContact O-N 3.13Å |
| 147 | D | 73.8 | Confident | 86.4 | Confident | 122 Ų | 122 | 53.9 Ų | 53.9 | 65% | 0.652 | 26% | 0.261 | S | S | * | . | G | 310 helix | trans | -61.6 | -15.4 | 179.6 | -53.1 | -28.6 | 0 | 0 | 0 | 113.3 | R145 | R145-D147 VanDerWaalsContact C-N 3.31Å; R145-D147 IonicContact CZ-OD2 3.95Å; R145-D147 IonicContact NE-OD2 3.94Å; R145-D147 PolarHBondContact NE-OD2 3.18Å; R145-D147 IonicContact NH2-OD2 3.85Å; R145-D147 PolarHBondContact NH2-OD2 3.49Å; R145-D147 PolarHBondContact O-N 2.91Å |
| 148 | Y | 70.9 | Confident | 86.2 | Confident | 21 Ų | 21 | 54 Ų | 54 | 8% | 0.082 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -97.1 | -1.6 | -178.4 | -61 | -53.5 | 0 | 0 | 0 | 113.5 | R145 L146 A150 Y190 M195 D198 | R145-Y148 HydrophobicContact CB-CD2 3.7Å; R145-Y148 HydrophobicContact CB-CE2 3.79Å; R145-Y148 PolarHBondContact NH1-OH 3Å; R145-Y148 WeakPolarHBondContact O-CB 3.16Å; R145-Y148 PolarHBondContact O-N 3.48Å; L146-Y148 PolarHBondContact O-N 2.76Å; Y148-A150 PolarHBondContact O-N 2.99Å; Y148-Y190 AromaticContact CD1-CD2 3.93Å; Y148-Y190 HydrophobicContact CD1-CD2 3.93Å; Y148-Y190 AromaticContact CD1-CE2 3.51Å; Y148-Y190 HydrophobicContact CD1-CE2 3.51Å; Y148-Y190 HydrophobicContact CE1-CE2 4.46Å; Y148-Y190 AromaticContact CG-CD2 3.99Å; Y148-Y190 HydrophobicContact CG-CD2 3.99Å; Y148-Y190 HydrophobicContact CG-CE2 4.01Å; Y148-M195 HydrophobicContact CD1-CE 3.32Å; Y148-M195 HydrophobicContact CD1-SD 4.14Å; Y148-M195 HydrophobicContact CD2-CE 4.41Å; Y148-M195 HydrophobicContact CE1-CE 3.21Å; Y148-M195 HydrophobicContact CE1-SD 3.5Å; Y148-M195 VanDerWaalsContact CE1-SD 3.5Å; Y148-M195 HydrophobicContact CE2-CE 4.35Å; Y148-M195 HydrophobicContact CE2-SD 4.05Å; Y148-M195 HydrophobicContact CG-CE 3.93Å; Y148-M195 PolarHBondContact OH-SD 3.49Å; Y148-M195 VanDerWaalsContact OH-SD 3.41Å; Y148-D198 HydrophobicContact CD2-CB 4.14Å; Y148-D198 HydrophobicContact CE2-CB 3.65Å; Y148-D198 WeakPolarHBondContact CE2-OD2 3.26Å; Y148-D198 PolarHBondContact OH-OD2 2.78Å |
| 149 | I | 77.5 | Confident | 85.9 | Confident | 34 Ų | 34 | 55 Ų | 55 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 111.9 | 176.4 | -58.6 | -48 | 0 | 0 | 0 | 109.1 | V144 L146 G151 V152 I177 H186 L187 | V144-I149 HydrophobicContact CG2-CD1 4.27Å; L146-I149 HydrophobicContact CD2-CG1 4.32Å; L146-I149 WeakPolarHBondContact O-CB 3.2Å; L146-I149 WeakPolarHBondContact O-CG1 3.13Å; L146-I149 PolarHBondContact O-N 3.13Å; I149-G151 VanDerWaalsContact CG2-O 3.24Å; I149-G151 WeakPolarHBondContact CG2-O 3.33Å; I149-V152 HydrophobicContact CG2-CG2 3.71Å; I149-I177 HydrophobicContact CD1-CD1 3.75Å; I149-H186 HydrophobicContact CD1-CB 3.68Å; I149-H186 HydrophobicContact CG1-CB 4.04Å; I149-H186 HydrophobicContact CG2-CB 3.83Å; I149-L187 WeakPolarHBondContact CA-O 3.02Å |
| 150 | A | 82.4 | Confident | 85.6 | Confident | 35 Ų | 35 | 57.8 Ų | 57.8 | 29% | 0.289 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -11 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y148 F171 L187 K189 | Y148-A150 PolarHBondContact O-N 2.99Å; A150-F171 HydrophobicContact CB-CD1 3.81Å; A150-F171 HydrophobicContact CB-CD2 4.32Å; A150-F171 HydrophobicContact CB-CE1 3.33Å; A150-F171 HydrophobicContact CB-CE2 3.87Å; A150-F171 HydrophobicContact CB-CG 4.29Å; A150-F171 HydrophobicContact CB-CZ 3.36Å; A150-L187 PolarHBondContact N-O 3.42Å; A150-K189 HydrophobicContact CB-CD 4.4Å; A150-K189 HydrophobicContact CB-CG 4.1Å |
| 151 | G | 84.6 | Confident | 85.7 | Confident | 10 Ų | 10 | 57 Ų | 57 | 10% | 0.103 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.7 | 151.4 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113 | I149 H186 L187 | I149-G151 VanDerWaalsContact CG2-O 3.24Å; I149-G151 WeakPolarHBondContact CG2-O 3.33Å; G151-H186 CarbonylContact O-C 3.57Å; G151-H186 WeakPolarHBondContact O-CA 3.24Å; G151-L187 PolarHBondContact N-O 3.15Å; G151-L187 PolarHBondContact O-N 2.82Å |
| 152 | V | 88.9 | Confident | 85.7 | Confident | 61 Ų | 61 | 51.8 Ų | 51.8 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 134.5 | 172.1 | -172.2 | 0 | 0 | 0 | 0 | 108.6 | I149 N184 C185 H186 | I149-V152 HydrophobicContact CG2-CG2 3.71Å; V152-N184 HydrophobicContact CG1-CB 4.22Å; V152-C185 WeakPolarHBondContact CA-O 3.46Å; V152-H186 WeakPolarHBondContact CG2-ND1 3.03Å |
| 153 | R | 91.2 | Very high | 85.6 | Confident | 121 Ų | 121 | 50.4 Ų | 50.4 | 46% | 0.457 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 142.3 | 175.6 | -63.5 | -65.3 | -178.9 | -101.9 | 6.6 | 109.1 | L164 C185 | R153-L164 HydrophobicContact CB-CD1 3.57Å; R153-L164 HydrophobicContact CG-CD1 3.99Å; R153-C185 PolarHBondContact N-O 2.86Å; R153-C185 WeakPolarHBondContact O-CB 3.46Å; R153-C185 PolarHBondContact O-N 2.78Å |
| 154 | R | 91.8 | Very high | 85.6 | Confident | 164 Ų | 164 | 51.9 Ų | 51.9 | 62% | 0.619 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 130.9 | 170.5 | -166.5 | -178.5 | 179.3 | 82.9 | 5.7 | 108.8 | T182 K183 | R154-T182 PolarHBondContact NH1-O 3Å; R154-K183 CarbonylContact C-O 3.56Å; R154-K183 VanDerWaalsContact CA-O 3.24Å; R154-K183 WeakPolarHBondContact CA-O 3.31Å; R154-K183 HydrophobicContact CG-CB 4.08Å; R154-K183 WeakPolarHBondContact CG-O 3.48Å |
| 155 | V | 89.8 | Confident | 85.9 | Confident | 13 Ų | 13 | 51.8 Ų | 51.8 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | trans | -141.7 | 143.7 | 179 | -64.8 | 0 | 0 | 0 | 0 | 110.8 | S157 M160 C161 L164 F178 K183 C185 | V155-S157 VanDerWaalsContact C-N 3.32Å; V155-S157 WeakPolarHBondContact CG2-O 3.43Å; V155-S157 PolarHBondContact O-N 3.41Å; V155-M160 HydrophobicContact CB-CB 3.77Å; V155-M160 HydrophobicContact CG1-CB 4.1Å; V155-M160 HydrophobicContact CG2-CB 4.36Å; V155-C161 HydrophobicContact CG2-CB 3.95Å; V155-L164 HydrophobicContact CG1-CD1 3.26Å; V155-L164 HydrophobicContact CG1-CG 4.09Å; V155-F178 HydrophobicContact CG2-CD2 3.97Å; V155-F178 HydrophobicContact CG2-CE2 3.76Å; V155-K183 PolarHBondContact N-O 2.92Å; V155-K183 VanDerWaalsContact O-CB 3.31Å; V155-K183 WeakPolarHBondContact O-CB 3.42Å; V155-C185 HydrophobicContact CG1-CB 4.42Å; V155-C185 HydrophobicContact CG2-CB 3.65Å | ||
| 156 | E | 86.3 | Confident | 86.2 | Confident | 122 Ų | 122 | 47.8 Ų | 47.8 | 57% | 0.57 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -71.3 | -28 | -174.2 | -63.7 | -54.9 | 144.2 | 0 | 0 | 113.3 | M160 K183 | E156-M160 HydrophobicContact CB-CE 4.44Å; E156-M160 HydrophobicContact CB-SD 3.99Å; E156-K183 PolarHBondContact O-NZ 3.04Å |
| 157 | S | 86.1 | Confident | 87 | Confident | 30 Ų | 30 | 44 Ų | 44 | 21% | 0.21 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -139.8 | 161.9 | -174.4 | 74.5 | 0 | 0 | 0 | 0 | 113.4 | V155 S159 M160 C161 | V155-S157 VanDerWaalsContact C-N 3.32Å; V155-S157 WeakPolarHBondContact CG2-O 3.43Å; V155-S157 PolarHBondContact O-N 3.41Å; S157-S159 VanDerWaalsContact C-N 3.33Å; S157-S159 PolarHBondContact O-N 3.39Å; S157-M160 WeakPolarHBondContact O-CB 3.48Å; S157-M160 PolarHBondContact O-N 2.61Å; S157-M160 WeakPolarHBondContact OG-CG 3.2Å; S157-M160 PolarHBondContact OG-N 2.84Å; S157-C161 PolarHBondContact O-N 2.69Å |
| 158 | M | 90.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 40 Ų | 40 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -59.2 | -41.7 | 173.3 | -167.4 | -179.5 | 78.5 | 0 | 0 | 112.2 | E24 F26 A88 M160 C161 E162 F178 I207 L209 | E24-M158 WeakPolarHBondContact OE2-CE 3.4Å; F26-M158 HydrophobicContact CZ-CE 4.47Å; A88-M158 HydrophobicContact CB-CB 4.03Å; A88-M158 HydrophobicContact CB-CE 4.05Å; M158-M160 VanDerWaalsContact C-N 3.28Å; M158-M160 PolarHBondContact O-N 2.83Å; M158-C161 WeakPolarHBondContact O-CA 3.28Å; M158-C161 VanDerWaalsContact O-CB 3.23Å; M158-C161 WeakPolarHBondContact O-CB 3.21Å; M158-C161 PolarHBondContact O-N 3.18Å; M158-E162 PolarHBondContact O-N 3.47Å; M158-F178 HydrophobicContact CB-CD1 3.72Å; M158-F178 HydrophobicContact CB-CE1 3.92Å; M158-F178 HydrophobicContact CB-CG 4.4Å; M158-F178 HydrophobicContact CG-CB 4.48Å; M158-F178 HydrophobicContact CG-CD1 3.97Å; M158-F178 HydrophobicContact CG-CG 4.45Å; M158-I207 HydrophobicContact SD-CD1 4.06Å; M158-I207 HydrophobicContact SD-CG2 4.03Å; M158-L209 HydrophobicContact CG-CD1 3.98Å; M158-L209 HydrophobicContact CG-CD2 3.96Å; M158-L209 HydrophobicContact SD-CD2 3.93Å |
| 159 | S | 88 | Confident | 88.4 | Confident | 19 Ų | 19 | 45.3 Ų | 45.3 | 13% | 0.133 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.4 | -28.3 | 179.5 | 119.5 | 0 | 0 | 0 | 0 | 112.8 | C108 S157 C161 E162 T163 | C108-S159 WeakPolarHBondContact O-CB 3.48Å; C108-S159 PolarHBondContact O-OG 2.91Å; S157-S159 VanDerWaalsContact C-N 3.33Å; S157-S159 PolarHBondContact O-N 3.39Å; S159-C161 VanDerWaalsContact C-N 3.35Å; S159-E162 WeakPolarHBondContact CA-OE2 3.3Å; S159-E162 PolarHBondContact O-N 2.85Å; S159-T163 WeakPolarHBondContact O-CB 3.33Å; S159-T163 PolarHBondContact O-N 2.83Å; S159-T163 PolarHBondContact O-OG1 3.17Å |
| 160 | M | 88.6 | Confident | 89 | Confident | 70 Ų | 70 | 50.4 Ų | 50.4 | 35% | 0.345 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -66.9 | -37.7 | 168.4 | -72.7 | -178.1 | -177.5 | 0 | 0 | 111.3 | L110 V155 E156 S157 M158 T163 L164 | L110-M160 HydrophobicContact CD1-CE 3.99Å; L110-M160 HydrophobicContact CD1-CG 4.04Å; V155-M160 HydrophobicContact CB-CB 3.77Å; V155-M160 HydrophobicContact CG1-CB 4.1Å; V155-M160 HydrophobicContact CG2-CB 4.36Å; E156-M160 HydrophobicContact CB-CE 4.44Å; E156-M160 HydrophobicContact CB-SD 3.99Å; S157-M160 WeakPolarHBondContact O-CB 3.48Å; S157-M160 PolarHBondContact O-N 2.61Å; S157-M160 WeakPolarHBondContact OG-CG 3.2Å; S157-M160 PolarHBondContact OG-N 2.84Å; M158-M160 VanDerWaalsContact C-N 3.28Å; M158-M160 PolarHBondContact O-N 2.83Å; M160-T163 PolarHBondContact O-N 3.4Å; M160-L164 WeakPolarHBondContact O-CG 3.43Å; M160-L164 PolarHBondContact O-N 3.42Å |
| 161 | C | 92.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 174.2 | -170 | 0 | 0 | 0 | 0 | 111.9 | V155 S157 M158 S159 T163 L164 C165 F178 C185 L209 | V155-C161 HydrophobicContact CG2-CB 3.95Å; S157-C161 PolarHBondContact O-N 2.69Å; M158-C161 WeakPolarHBondContact O-CA 3.28Å; M158-C161 VanDerWaalsContact O-CB 3.23Å; M158-C161 WeakPolarHBondContact O-CB 3.21Å; M158-C161 PolarHBondContact O-N 3.18Å; S159-C161 VanDerWaalsContact C-N 3.35Å; C161-T163 VanDerWaalsContact C-N 3.34Å; C161-T163 PolarHBondContact O-N 2.97Å; C161-L164 PolarHBondContact O-N 3.39Å; C161-C165 PolarHBondContact O-N 2.77Å; C161-F178 HydrophobicContact CB-CB 4.19Å; C161-F178 HydrophobicContact CB-CD2 4.1Å; C161-F178 HydrophobicContact CB-CG 4.36Å; C161-C185 WeakPolarHBondContact CA-SG 3.39Å; C161-C185 HydrophobicContact CB-CB 3.71Å; C161-C185 WeakPolarHBondContact CB-SG 3.49Å; C161-C185 WeakPolarHBondContact SG-CB 3.48Å; C161-C185 CovalentContact SG-SG 2.03Å; C161-C185 PolarHBondContact SG-SG 2.84Å; C161-L209 HydrophobicContact CB-CD1 4.14Å |
| 162 | E | 92.1 | Very high | 89.5 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -58.3 | -44.8 | 171.7 | -66.4 | -178.5 | 135.7 | 0 | 0 | 111.7 | T107 L109 Y136 M158 S159 L164 C165 T166 L209 | T107-E162 PolarHBondContact OG1-OE2 3.02Å; L109-E162 HydrophobicContact CD2-CB 3.76Å; Y136-E162 WeakPolarHBondContact CB-OE1 3.31Å; Y136-E162 HydrophobicContact CD1-CG 4.41Å; Y136-E162 HydrophobicContact CD2-CB 3.88Å; Y136-E162 HydrophobicContact CD2-CG 3.7Å; Y136-E162 WeakPolarHBondContact CD2-OE1 3.42Å; Y136-E162 HydrophobicContact CE1-CG 4.49Å; Y136-E162 HydrophobicContact CE2-CB 3.49Å; Y136-E162 VanDerWaalsContact CE2-CB 3.49Å; Y136-E162 HydrophobicContact CE2-CG 3.82Å; Y136-E162 HydrophobicContact CG-CG 4.05Å; Y136-E162 PolarHBondContact OH-O 2.79Å; M158-E162 PolarHBondContact O-N 3.47Å; S159-E162 WeakPolarHBondContact CA-OE2 3.3Å; S159-E162 PolarHBondContact O-N 2.85Å; E162-L164 VanDerWaalsContact C-N 3.35Å; E162-L164 PolarHBondContact O-N 2.89Å; E162-C165 PolarHBondContact O-N 2.81Å; E162-T166 WeakPolarHBondContact O-CB 3.33Å; E162-T166 PolarHBondContact O-N 2.98Å; E162-T166 PolarHBondContact O-OG1 3Å; E162-L209 HydrophobicContact CG-CD1 3.97Å |
| 163 | T | 89.9 | Confident | 89.7 | Confident | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.018 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -61.6 | -44.2 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 110.8 | L110 M112 S159 M160 C161 T166 T167 | L110-T163 PolarHBondContact N-OG1 3.33Å; L110-T163 VanDerWaalsContact O-CG2 3.24Å; L110-T163 WeakPolarHBondContact O-CG2 3.22Å; M112-T163 HydrophobicContact SD-CG2 4.37Å; S159-T163 WeakPolarHBondContact O-CB 3.33Å; S159-T163 PolarHBondContact O-N 2.83Å; S159-T163 PolarHBondContact O-OG1 3.17Å; M160-T163 PolarHBondContact O-N 3.4Å; C161-T163 VanDerWaalsContact C-N 3.34Å; C161-T163 PolarHBondContact O-N 2.97Å; T163-T166 PolarHBondContact O-N 3.29Å; T163-T167 HydrophobicContact CG2-CG2 4.4Å; T163-T167 WeakPolarHBondContact O-CB 3.46Å; T163-T167 WeakPolarHBondContact O-CG2 3.47Å; T163-T167 PolarHBondContact O-N 3.38Å; T163-T167 PolarHBondContact O-OG1 2.95Å |
| 164 | L | 91.3 | Very high | 89.8 | Confident | 36 Ų | 36 | 45 Ų | 45 | 19% | 0.188 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.2 | -46.6 | 176.8 | -75.5 | -173.7 | 0 | 0 | 0 | 112.3 | R153 V155 M160 C161 E162 T166 T167 E168 C185 L187 | R153-L164 HydrophobicContact CB-CD1 3.57Å; R153-L164 HydrophobicContact CG-CD1 3.99Å; V155-L164 HydrophobicContact CG1-CD1 3.26Å; V155-L164 HydrophobicContact CG1-CG 4.09Å; M160-L164 WeakPolarHBondContact O-CG 3.43Å; M160-L164 PolarHBondContact O-N 3.42Å; C161-L164 PolarHBondContact O-N 3.39Å; E162-L164 VanDerWaalsContact C-N 3.35Å; E162-L164 PolarHBondContact O-N 2.89Å; L164-T166 VanDerWaalsContact C-N 3.33Å; L164-T166 PolarHBondContact O-N 3.42Å; L164-T167 PolarHBondContact O-N 3.33Å; L164-E168 PolarHBondContact O-N 3.33Å; L164-E168 VanDerWaalsContact O-N 3.09Å; L164-C185 HydrophobicContact CD1-CB 4.49Å; L164-L187 HydrophobicContact CB-CD1 4.42Å; L164-L187 HydrophobicContact CB-CD2 4.29Å |
| 165 | C | 92.8 | Very high | 89.9 | Confident | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.02 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.3 | -40.9 | 177.6 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | C161 E162 T167 E168 C173 A176 L187 | C161-C165 PolarHBondContact O-N 2.77Å; E162-C165 PolarHBondContact O-N 2.81Å; C165-T167 VanDerWaalsContact C-N 3.3Å; C165-T167 PolarHBondContact O-N 3.41Å; C165-E168 PolarHBondContact O-N 3.44Å; C165-C173 WeakPolarHBondContact CA-SG 3.37Å; C165-C173 HydrophobicContact CB-CB 4.18Å; C165-C173 WeakPolarHBondContact CB-SG 3.41Å; C165-C173 VanDerWaalsContact O-CB 3.25Å; C165-C173 WeakPolarHBondContact O-CB 3.45Å; C165-C173 WeakPolarHBondContact SG-CB 3.24Å; C165-C173 CovalentContact SG-SG 2.05Å; C165-C173 PolarHBondContact SG-SG 2.96Å; C165-A176 HydrophobicContact CB-CB 4.16Å; C165-L187 HydrophobicContact CB-CD2 3.82Å |
| 166 | T | 90.9 | Very high | 90.2 | Very high | 17 Ų | 17 | 36.5 Ų | 36.5 | 10% | 0.104 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -66.3 | -31.8 | -179.4 | -49.5 | 0 | 0 | 0 | 0 | 112.9 | V127 P128 Y136 E162 T163 L164 | V127-T166 HydrophobicContact CG1-CG2 3.66Å; P128-T166 HydrophobicContact CG-CG2 4.28Å; Y136-T166 PolarHBondContact OH-N 2.82Å; Y136-T166 PolarHBondContact OH-OG1 2.83Å; E162-T166 WeakPolarHBondContact O-CB 3.33Å; E162-T166 PolarHBondContact O-N 2.98Å; E162-T166 PolarHBondContact O-OG1 3Å; T163-T166 PolarHBondContact O-N 3.29Å; L164-T166 VanDerWaalsContact C-N 3.33Å; L164-T166 PolarHBondContact O-N 3.42Å |
| 167 | T | 87.4 | Confident | 90.6 | Very high | 39 Ų | 39 | 30.8 Ų | 30.8 | 24% | 0.239 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -100.3 | 1.4 | -175.3 | 58 | 0 | 0 | 0 | 0 | 113.9 | V127 T163 L164 C165 K169 | V127-T167 HydrophobicContact CG2-CG2 4.34Å; T163-T167 HydrophobicContact CG2-CG2 4.4Å; T163-T167 WeakPolarHBondContact O-CB 3.46Å; T163-T167 WeakPolarHBondContact O-CG2 3.47Å; T163-T167 PolarHBondContact O-N 3.38Å; T163-T167 PolarHBondContact O-OG1 2.95Å; L164-T167 PolarHBondContact O-N 3.33Å; C165-T167 VanDerWaalsContact C-N 3.3Å; C165-T167 PolarHBondContact O-N 3.41Å; T167-K169 PolarHBondContact O-N 3.3Å |
| 168 | E | 89 | Confident | 91 | Very high | 38 Ų | 38 | 29.4 Ų | 29.4 | 18% | 0.178 | 14% | 0.137 | C | C | . | . | trans | -63.7 | 126.8 | 178.1 | -179.9 | 57 | -100.1 | 0 | 0 | 111 | L164 C165 R170 F171 C173 | L164-E168 PolarHBondContact O-N 3.33Å; L164-E168 VanDerWaalsContact O-N 3.09Å; C165-E168 PolarHBondContact O-N 3.44Å; E168-R170 WeakPolarHBondContact OE1-CB 3.34Å; E168-R170 VanDerWaalsContact OE1-CG 3.28Å; E168-R170 WeakPolarHBondContact OE1-CG 3.39Å; E168-R170 IonicContact OE1-CZ 3.54Å; E168-R170 PolarHBondContact OE1-N 2.95Å; E168-R170 IonicContact OE1-NE 3.35Å; E168-R170 PolarHBondContact OE1-NE 2.89Å; E168-R170 IonicContact OE1-NH2 2.91Å; E168-R170 IonicContact OE2-CZ 3.76Å; E168-R170 IonicContact OE2-NE 3.61Å; E168-R170 PolarHBondContact OE2-NE 2.87Å; E168-R170 IonicContact OE2-NH2 3.54Å; E168-R170 PolarHBondContact OE2-NH2 3.12Å; E168-F171 HydrophobicContact CG-CD1 3.98Å; E168-F171 HydrophobicContact CG-CD2 4.29Å; E168-F171 HydrophobicContact CG-CE1 3.7Å; E168-F171 HydrophobicContact CG-CE2 4.06Å; E168-F171 HydrophobicContact CG-CG 4.26Å; E168-F171 HydrophobicContact CG-CZ 3.74Å; E168-C173 HydrophobicContact CB-CB 4.11Å; E168-C173 HydrophobicContact CG-CB 4.47Å | ||
| 169 | K | 86.1 | Confident | 91.2 | Very high | 132 Ų | 132 | 29.8 Ų | 29.8 | 57% | 0.574 | 14% | 0.14 | S | C | * | . | trans | -108.8 | -21 | -176.6 | -65.6 | -172.8 | 177.7 | -175.5 | 0 | 113.3 | Q122 T167 F171 | Q122-K169 PolarHBondContact O-NZ 2.87Å; Q122-K169 VanDerWaalsContact O-NZ 3.12Å; T167-K169 PolarHBondContact O-N 3.3Å; K169-F171 VanDerWaalsContact C-N 3.27Å; K169-F171 PolarHBondContact O-N 2.86Å | ||
| 170 | R | 88.4 | Confident | 91.3 | Very high | 142 Ų | 142 | 31.1 Ų | 31.1 | 54% | 0.536 | 14% | 0.142 | S | C | . | . | S | Bend | trans | -72 | -27.8 | -176.8 | -61.8 | 174.8 | -67.1 | 155.4 | 1.9 | 111.9 | E168 | E168-R170 WeakPolarHBondContact OE1-CB 3.34Å; E168-R170 VanDerWaalsContact OE1-CG 3.28Å; E168-R170 WeakPolarHBondContact OE1-CG 3.39Å; E168-R170 IonicContact OE1-CZ 3.54Å; E168-R170 PolarHBondContact OE1-N 2.95Å; E168-R170 IonicContact OE1-NE 3.35Å; E168-R170 PolarHBondContact OE1-NE 2.89Å; E168-R170 IonicContact OE1-NH2 2.91Å; E168-R170 IonicContact OE2-CZ 3.76Å; E168-R170 IonicContact OE2-NE 3.61Å; E168-R170 PolarHBondContact OE2-NE 2.87Å; E168-R170 IonicContact OE2-NH2 3.54Å; E168-R170 PolarHBondContact OE2-NH2 3.12Å |
| 171 | F | 88.7 | Confident | 91.5 | Very high | 26 Ų | 26 | 32.2 Ų | 32.2 | 11% | 0.114 | 15% | 0.152 | C | C | . | . | S | Bend | trans | -154.7 | 162.8 | 175.3 | 61.1 | -90.5 | 0 | 0 | 0 | 109.8 | A150 E168 K169 C173 L187 K189 | A150-F171 HydrophobicContact CB-CD1 3.81Å; A150-F171 HydrophobicContact CB-CD2 4.32Å; A150-F171 HydrophobicContact CB-CE1 3.33Å; A150-F171 HydrophobicContact CB-CE2 3.87Å; A150-F171 HydrophobicContact CB-CG 4.29Å; A150-F171 HydrophobicContact CB-CZ 3.36Å; E168-F171 HydrophobicContact CG-CD1 3.98Å; E168-F171 HydrophobicContact CG-CD2 4.29Å; E168-F171 HydrophobicContact CG-CE1 3.7Å; E168-F171 HydrophobicContact CG-CE2 4.06Å; E168-F171 HydrophobicContact CG-CG 4.26Å; E168-F171 HydrophobicContact CG-CZ 3.74Å; K169-F171 VanDerWaalsContact C-N 3.27Å; K169-F171 PolarHBondContact O-N 2.86Å; F171-C173 HydrophobicContact CD2-CB 4.34Å; F171-C173 HydrophobicContact CE2-CB 3.86Å; F171-C173 PolarHBondContact O-N 2.04Å; F171-C173 VanDerWaalsContact O-N 3.13Å; F171-L187 HydrophobicContact CE2-CB 4.46Å; F171-L187 HydrophobicContact CZ-CB 3.82Å; F171-K189 HydrophobicContact CB-CD 4.16Å; F171-K189 VanDerWaalsContact CB-CE 3.45Å; F171-K189 HydrophobicContact CB-CG 3.96Å; F171-K189 HydrophobicContact CD2-CB 4.35Å; F171-K189 HydrophobicContact CD2-CD 4.33Å; F171-K189 HydrophobicContact CD2-CG 3.29Å; F171-K189 HydrophobicContact CE2-CG 3.9Å; F171-K189 HydrophobicContact CG-CD 4.26Å; F171-K189 HydrophobicContact CG-CG 3.7Å |
| 172 | Q | 89 | Confident | 91.5 | Very high | 75 Ų | 75 | 34.8 Ų | 34.8 | 35% | 0.35 | 17% | 0.168 | S | C | . | . | trans | -75.9 | 98.9 | 177.5 | 180 | 171.9 | 4.8 | 0 | 0 | 108.5 | R174 H214 | Q172-R174 PolarHBondContact O-N 3.29Å; Q172-H214 VanDerWaalsContact CD-CE1 3.47Å; Q172-H214 VanDerWaalsContact CD-NE2 3.34Å; Q172-H214 WeakPolarHBondContact CG-CE1 3.35Å; Q172-H214 WeakPolarHBondContact CG-NE2 3.43Å; Q172-H214 PolarHBondContact NE2-CD2 2.83Å; Q172-H214 VanDerWaalsContact NE2-CD2 3.26Å; Q172-H214 PolarHBondContact NE2-CE1 2.92Å; Q172-H214 PolarHBondContact NE2-ND1 3.25Å; Q172-H214 PolarHBondContact NE2-NE2 2.79Å | ||
| 173 | C | 92.9 | Very high | 91.6 | Very high | 4 Ų | 4 | 36.4 Ų | 36.4 | 3% | 0.027 | 18% | 0.175 | C | C | . | . | trans | -76.2 | 112.8 | -178.6 | -171.9 | 0 | 0 | 0 | 0 | 113.4 | C165 E168 F171 S175 N211 H214 | C165-C173 WeakPolarHBondContact CA-SG 3.37Å; C165-C173 HydrophobicContact CB-CB 4.18Å; C165-C173 WeakPolarHBondContact CB-SG 3.41Å; C165-C173 VanDerWaalsContact O-CB 3.25Å; C165-C173 WeakPolarHBondContact O-CB 3.45Å; C165-C173 WeakPolarHBondContact SG-CB 3.24Å; C165-C173 CovalentContact SG-SG 2.05Å; C165-C173 PolarHBondContact SG-SG 2.96Å; E168-C173 HydrophobicContact CB-CB 4.11Å; E168-C173 HydrophobicContact CG-CB 4.47Å; F171-C173 HydrophobicContact CD2-CB 4.34Å; F171-C173 HydrophobicContact CE2-CB 3.86Å; F171-C173 PolarHBondContact O-N 2.04Å; F171-C173 VanDerWaalsContact O-N 3.13Å; C173-S175 PolarHBondContact SG-O 3.42Å; C173-S175 VanDerWaalsContact SG-O 3.35Å; C173-N211 PolarHBondContact O-ND2 2.02Å; C173-H214 PolarHBondContact N-CE1 2.95Å; C173-H214 PolarHBondContact O-CE1 3Å; C173-H214 PolarHBondContact O-ND1 3.35Å | ||
| 174 | R | 93.3 | Very high | 91.8 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 3% | 0.026 | 19% | 0.187 | C | C | . | . | trans | -93.1 | -32.9 | -178.8 | -69.1 | -170.9 | -176 | -91.6 | -1 | 113.1 | Q172 S188 K189 D191 N211 H214 F342 | Q172-R174 PolarHBondContact O-N 3.29Å; R174-S188 PolarHBondContact N-O 2.97Å; R174-K189 WeakPolarHBondContact CD-O 3.31Å; R174-K189 VanDerWaalsContact CG-O 3.27Å; R174-K189 WeakPolarHBondContact CG-O 3.29Å; R174-K189 PolarHBondContact NE-O 3.05Å; R174-D191 HydrophobicContact CB-CB 4.07Å; R174-D191 WeakPolarHBondContact CD-OD2 3.28Å; R174-D191 IonicContact NH1-OD2 2.7Å; R174-N211 WeakPolarHBondContact O-CB 3.22Å; R174-N211 PolarHBondContact O-N 3.42Å; R174-H214 VanDerWaalsContact CG-CD2 3.47Å; R174-H214 WeakPolarHBondContact CG-CD2 3.47Å; R174-H214 WeakPolarHBondContact CG-NE2 3.28Å; R174-F342 VanDerWaalsContact NE-CE1 3.34Å; R174-F342 VanDerWaalsContact NH2-CD1 3.31Å | ||
| 175 | S | 95 | Very high | 91.9 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 167 | 177.1 | 72.4 | 0 | 0 | 0 | 0 | 112 | C173 S188 Y190 Y208 L209 | C173-S175 PolarHBondContact SG-O 3.42Å; C173-S175 VanDerWaalsContact SG-O 3.35Å; S175-S188 PolarHBondContact N-O 3.48Å; S175-S188 WeakPolarHBondContact O-CA 3.49Å; S175-S188 WeakPolarHBondContact O-CB 3.33Å; S175-S188 PolarHBondContact O-N 3.38Å; S175-S188 WeakPolarHBondContact OG-CB 3.31Å; S175-Y190 WeakPolarHBondContact CB-O 3.45Å; S175-Y190 PolarHBondContact OG-O 2.78Å; S175-Y208 VanDerWaalsContact CB-OH 3.32Å; S175-Y208 WeakPolarHBondContact CB-OH 3.23Å; S175-Y208 WeakPolarHBondContact OG-CE2 3.27Å; S175-L209 CarbonylContact C-O 3.59Å; S175-L209 WeakPolarHBondContact CA-O 3.23Å; S175-L209 VanDerWaalsContact CB-O 3.23Å; S175-L209 WeakPolarHBondContact CB-O 3.49Å |
| 176 | A | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 158.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | C165 H186 L187 L209 | C165-A176 HydrophobicContact CB-CB 4.16Å; A176-H186 CarbonylContact C-O 3.59Å; A176-H186 WeakPolarHBondContact CA-O 3.38Å; A176-L187 HydrophobicContact CB-CD2 3.86Å; A176-L209 HydrophobicContact CB-CB 4.42Å; A176-L209 PolarHBondContact N-O 3.48Å; A176-L209 PolarHBondContact O-N 3.48Å |
| 177 | I | 95.6 | Very high | 92.2 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 114.8 | 173.1 | -52.7 | 83.7 | 0 | 0 | 0 | 107.7 | V144 I149 C185 H186 Q206 I207 Y208 | V144-I177 HydrophobicContact CG2-CD1 3.48Å; V144-I177 VanDerWaalsContact CG2-CD1 3.48Å; V144-I177 HydrophobicContact CG2-CG1 4.39Å; I149-I177 HydrophobicContact CD1-CD1 3.75Å; I177-C185 WeakPolarHBondContact O-CA 2.97Å; I177-H186 HydrophobicContact CB-CB 4.23Å; I177-H186 HydrophobicContact CD1-CB 4.29Å; I177-H186 PolarHBondContact N-O 2.91Å; I177-H186 PolarHBondContact O-N 2.93Å; I177-Q206 HydrophobicContact CG2-CB 3.94Å; I177-Q206 HydrophobicContact CG2-CG 4.1Å; I177-I207 WeakPolarHBondContact CA-O 3.08Å; I177-Y208 HydrophobicContact CG1-CD2 4.22Å |
| 178 | F | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 35.6 Ų | 35.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 131 | 173.7 | 179.8 | -120.3 | 0 | 0 | 0 | 109.9 | V155 M158 C161 K183 Q206 I207 L209 | V155-F178 HydrophobicContact CG2-CD2 3.97Å; V155-F178 HydrophobicContact CG2-CE2 3.76Å; M158-F178 HydrophobicContact CB-CD1 3.72Å; M158-F178 HydrophobicContact CB-CE1 3.92Å; M158-F178 HydrophobicContact CB-CG 4.4Å; M158-F178 HydrophobicContact CG-CB 4.48Å; M158-F178 HydrophobicContact CG-CD1 3.97Å; M158-F178 HydrophobicContact CG-CG 4.45Å; C161-F178 HydrophobicContact CB-CB 4.19Å; C161-F178 HydrophobicContact CB-CD2 4.1Å; C161-F178 HydrophobicContact CB-CG 4.36Å; F178-K183 HydrophobicContact CE2-CD 4.42Å; F178-K183 HydrophobicContact CZ-CD 4.03Å; F178-Q206 CarbonylContact O-C 3.58Å; F178-Q206 WeakPolarHBondContact O-CA 3.39Å; F178-I207 HydrophobicContact CD1-CD1 4.47Å; F178-I207 PolarHBondContact N-O 2.87Å; F178-I207 PolarHBondContact O-N 3.42Å; F178-L209 HydrophobicContact CB-CD1 4.18Å |
| 179 | N | 93.5 | Very high | 92.6 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 7% | 0.07 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 112.7 | 169 | -176.3 | -49.8 | 0 | 0 | 0 | 109 | V181 T182 K183 N184 E205 | N179-V181 VanDerWaalsContact C-N 3.27Å; N179-V181 PolarHBondContact O-N 3.19Å; N179-V181 PolarHBondContact OD1-N 3.13Å; N179-T182 VanDerWaalsContact CB-OG1 3.28Å; N179-T182 WeakPolarHBondContact CB-OG1 3.42Å; N179-T182 PolarHBondContact OD1-N 3.14Å; N179-T182 PolarHBondContact OD1-OG1 2.88Å; N179-K183 WeakPolarHBondContact O-CA 3.07Å; N179-K183 PolarHBondContact O-N 2.88Å; N179-N184 PolarHBondContact N-O 2.89Å; N179-E205 WeakPolarHBondContact CA-O 3.36Å |
| 180 | Y | 90.6 | Very high | 92.9 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 18% | 0.18 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -17.6 | -173.9 | 60.9 | -106.5 | 0 | 0 | 0 | 113.9 | R92 K183 A204 E205 I207 | R92-Y180 VanDerWaalsContact NH2-CZ 3.27Å; R92-Y180 PolarHBondContact NH2-OH 3.49Å; R92-Y180 VanDerWaalsContact NH2-OH 3.1Å; Y180-K183 WeakPolarHBondContact O-CD 3.46Å; Y180-K183 WeakPolarHBondContact O-CE 3.44Å; Y180-A204 PolarHBondContact OH-O 2.61Å; Y180-E205 WeakPolarHBondContact CD1-O 3.29Å; Y180-E205 HydrophobicContact CE1-CB 4.12Å; Y180-E205 WeakPolarHBondContact CE1-O 3.47Å; Y180-E205 HydrophobicContact CE2-CB 4.2Å; Y180-E205 HydrophobicContact CE2-CG 4.13Å; Y180-E205 VanDerWaalsContact CZ-CA 3.45Å; Y180-E205 PolarHBondContact N-O 3.17Å; Y180-I207 HydrophobicContact CD1-CD1 4.14Å; Y180-I207 HydrophobicContact CD1-CG1 4.4Å |
| 181 | V | 92 | Very high | 93.1 | Very high | 93 Ų | 93 | 26.7 Ų | 26.7 | 56% | 0.564 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -53.5 | 176.7 | 175.1 | 0 | 0 | 0 | 0 | 110.7 | N179 K183 E205 | N179-V181 VanDerWaalsContact C-N 3.27Å; N179-V181 PolarHBondContact O-N 3.19Å; N179-V181 PolarHBondContact OD1-N 3.13Å; V181-K183 PolarHBondContact O-N 3.44Å; V181-E205 HydrophobicContact CB-CB 4.41Å; V181-E205 HydrophobicContact CB-CG 4.09Å; V181-E205 HydrophobicContact CG2-CB 4Å; V181-E205 HydrophobicContact CG2-CG 3.41Å; V181-E205 VanDerWaalsContact CG2-CG 3.41Å |
| 182 | T | 93.8 | Very high | 93.1 | Very high | 55 Ų | 55 | 25.5 Ų | 25.5 | 34% | 0.337 | 13% | 0.127 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -13.8 | -178.6 | 65.2 | 0 | 0 | 0 | 0 | 112.3 | R154 N179 N184 | R154-T182 PolarHBondContact NH1-O 3Å; N179-T182 VanDerWaalsContact CB-OG1 3.28Å; N179-T182 WeakPolarHBondContact CB-OG1 3.42Å; N179-T182 PolarHBondContact OD1-N 3.14Å; N179-T182 PolarHBondContact OD1-OG1 2.88Å; T182-N184 PolarHBondContact O-N 3.24Å; T182-N184 PolarHBondContact OG1-N 2.85Å; T182-N184 PolarHBondContact OG1-ND2 2.98Å |
| 183 | K | 92.9 | Very high | 93.1 | Very high | 34 Ų | 34 | 23.4 Ų | 23.4 | 15% | 0.148 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.2 | 23.7 | -175 | -60.9 | -61.1 | -174.3 | 170 | 0 | 112.9 | D89 R154 V155 E156 F178 N179 Y180 V181 | D89-K183 IonicContact OD2-NZ 3.7Å; D89-K183 PolarHBondContact OD2-NZ 3.19Å; R154-K183 CarbonylContact C-O 3.56Å; R154-K183 VanDerWaalsContact CA-O 3.24Å; R154-K183 WeakPolarHBondContact CA-O 3.31Å; R154-K183 HydrophobicContact CG-CB 4.08Å; R154-K183 WeakPolarHBondContact CG-O 3.48Å; V155-K183 PolarHBondContact N-O 2.92Å; V155-K183 VanDerWaalsContact O-CB 3.31Å; V155-K183 WeakPolarHBondContact O-CB 3.42Å; E156-K183 PolarHBondContact O-NZ 3.04Å; F178-K183 HydrophobicContact CE2-CD 4.42Å; F178-K183 HydrophobicContact CZ-CD 4.03Å; N179-K183 WeakPolarHBondContact O-CA 3.07Å; N179-K183 PolarHBondContact O-N 2.88Å; Y180-K183 WeakPolarHBondContact O-CD 3.46Å; Y180-K183 WeakPolarHBondContact O-CE 3.44Å; V181-K183 PolarHBondContact O-N 3.44Å |
| 184 | N | 93.9 | Very high | 92.9 | Very high | 47 Ų | 47 | 23.6 Ų | 23.6 | 25% | 0.251 | 12% | 0.117 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 132.9 | 176.6 | -69.9 | -20 | 0 | 0 | 0 | 110.8 | V152 N179 T182 | V152-N184 HydrophobicContact CG1-CB 4.22Å; N179-N184 PolarHBondContact N-O 2.89Å; T182-N184 PolarHBondContact O-N 3.24Å; T182-N184 PolarHBondContact OG1-N 2.85Å; T182-N184 PolarHBondContact OG1-ND2 2.98Å |
| 185 | C | 94.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111.8 | 170.5 | 179.5 | 0 | 0 | 0 | 0 | 108.8 | V152 R153 V155 C161 L164 I177 L187 | V152-C185 WeakPolarHBondContact CA-O 3.46Å; R153-C185 PolarHBondContact N-O 2.86Å; R153-C185 WeakPolarHBondContact O-CB 3.46Å; R153-C185 PolarHBondContact O-N 2.78Å; V155-C185 HydrophobicContact CG1-CB 4.42Å; V155-C185 HydrophobicContact CG2-CB 3.65Å; C161-C185 WeakPolarHBondContact CA-SG 3.39Å; C161-C185 HydrophobicContact CB-CB 3.71Å; C161-C185 WeakPolarHBondContact CB-SG 3.49Å; C161-C185 WeakPolarHBondContact SG-CB 3.48Å; C161-C185 CovalentContact SG-SG 2.03Å; C161-C185 PolarHBondContact SG-SG 2.84Å; L164-C185 HydrophobicContact CD1-CB 4.49Å; I177-C185 WeakPolarHBondContact O-CA 2.97Å; C185-L187 VanDerWaalsContact SG-CD2 3.57Å |
| 186 | H | 95.3 | Very high | 91.8 | Very high | 31 Ų | 31 | 26.6 Ų | 26.6 | 14% | 0.144 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 113.5 | 177.7 | -61.6 | -99.7 | 0 | 0 | 0 | 108.8 | I149 G151 V152 A176 I177 | I149-H186 HydrophobicContact CD1-CB 3.68Å; I149-H186 HydrophobicContact CG1-CB 4.04Å; I149-H186 HydrophobicContact CG2-CB 3.83Å; G151-H186 CarbonylContact O-C 3.57Å; G151-H186 WeakPolarHBondContact O-CA 3.24Å; V152-H186 WeakPolarHBondContact CG2-ND1 3.03Å; A176-H186 CarbonylContact C-O 3.59Å; A176-H186 WeakPolarHBondContact CA-O 3.38Å; I177-H186 HydrophobicContact CB-CB 4.23Å; I177-H186 HydrophobicContact CD1-CB 4.29Å; I177-H186 PolarHBondContact N-O 2.91Å; I177-H186 PolarHBondContact O-N 2.93Å |
| 187 | L | 95 | Very high | 91.1 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 137.8 | -179.6 | -56.4 | -177.4 | 0 | 0 | 0 | 110.6 | I149 A150 G151 L164 C165 F171 A176 C185 | I149-L187 WeakPolarHBondContact CA-O 3.02Å; A150-L187 PolarHBondContact N-O 3.42Å; G151-L187 PolarHBondContact N-O 3.15Å; G151-L187 PolarHBondContact O-N 2.82Å; L164-L187 HydrophobicContact CB-CD1 4.42Å; L164-L187 HydrophobicContact CB-CD2 4.29Å; C165-L187 HydrophobicContact CB-CD2 3.82Å; F171-L187 HydrophobicContact CE2-CB 4.46Å; F171-L187 HydrophobicContact CZ-CB 3.82Å; A176-L187 HydrophobicContact CB-CD2 3.86Å; C185-L187 VanDerWaalsContact SG-CD2 3.57Å |
| 188 | S | 93.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.4 | -175.5 | 178.1 | 0 | 0 | 0 | 0 | 112.3 | R174 S175 Y190 | R174-S188 PolarHBondContact N-O 2.97Å; S175-S188 PolarHBondContact N-O 3.48Å; S175-S188 WeakPolarHBondContact O-CA 3.49Å; S175-S188 WeakPolarHBondContact O-CB 3.33Å; S175-S188 PolarHBondContact O-N 3.38Å; S175-S188 WeakPolarHBondContact OG-CB 3.31Å; S188-Y190 PolarHBondContact O-N 3.1Å; S188-Y190 PolarHBondContact OG-N 3.11Å; S188-Y190 PolarHBondContact OG-O 3.05Å |
| 189 | K | 91.3 | Very high | 90.4 | Very high | 84 Ų | 84 | 38.7 Ų | 38.7 | 37% | 0.365 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -76.3 | -5.2 | 170 | -69.3 | 176.5 | -173.5 | -177.6 | 0 | 112.9 | A150 F171 R174 F342 | A150-K189 HydrophobicContact CB-CD 4.4Å; A150-K189 HydrophobicContact CB-CG 4.1Å; F171-K189 HydrophobicContact CB-CD 4.16Å; F171-K189 VanDerWaalsContact CB-CE 3.45Å; F171-K189 HydrophobicContact CB-CG 3.96Å; F171-K189 HydrophobicContact CD2-CB 4.35Å; F171-K189 HydrophobicContact CD2-CD 4.33Å; F171-K189 HydrophobicContact CD2-CG 3.29Å; F171-K189 HydrophobicContact CE2-CG 3.9Å; F171-K189 HydrophobicContact CG-CD 4.26Å; F171-K189 HydrophobicContact CG-CG 3.7Å; R174-K189 WeakPolarHBondContact CD-O 3.31Å; R174-K189 VanDerWaalsContact CG-O 3.27Å; R174-K189 WeakPolarHBondContact CG-O 3.29Å; R174-K189 PolarHBondContact NE-O 3.05Å; K189-F342 VanDerWaalsContact O-CE2 3.23Å; K189-F342 WeakPolarHBondContact O-CE2 3.31Å |
| 190 | Y | 91.2 | Very high | 90.2 | Very high | 28 Ų | 28 | 42 Ų | 42 | 11% | 0.11 | 21% | 0.205 | C | C | . | . | trans | -128.8 | 144.4 | -167.6 | -48.3 | -77.9 | 0 | 0 | 0 | 110.5 | Y148 S175 S188 S194 M195 V320 F342 | Y148-Y190 AromaticContact CD1-CD2 3.93Å; Y148-Y190 HydrophobicContact CD1-CD2 3.93Å; Y148-Y190 AromaticContact CD1-CE2 3.51Å; Y148-Y190 HydrophobicContact CD1-CE2 3.51Å; Y148-Y190 HydrophobicContact CE1-CE2 4.46Å; Y148-Y190 AromaticContact CG-CD2 3.99Å; Y148-Y190 HydrophobicContact CG-CD2 3.99Å; Y148-Y190 HydrophobicContact CG-CE2 4.01Å; S175-Y190 WeakPolarHBondContact CB-O 3.45Å; S175-Y190 PolarHBondContact OG-O 2.78Å; S188-Y190 PolarHBondContact O-N 3.1Å; S188-Y190 PolarHBondContact OG-N 3.11Å; S188-Y190 PolarHBondContact OG-O 3.05Å; Y190-S194 VanDerWaalsContact CA-OG 3.31Å; Y190-S194 WeakPolarHBondContact CA-OG 3.5Å; Y190-S194 WeakPolarHBondContact CB-OG 3.48Å; Y190-M195 HydrophobicContact CD1-CE 3.07Å; Y190-M195 HydrophobicContact CD1-CG 4.38Å; Y190-M195 HydrophobicContact CD2-CE 3.44Å; Y190-M195 VanDerWaalsContact CD2-CE 3.44Å; Y190-M195 HydrophobicContact CE1-CE 3.12Å; Y190-M195 HydrophobicContact CE2-CE 3.41Å; Y190-M195 VanDerWaalsContact CE2-CE 3.41Å; Y190-M195 HydrophobicContact CG-CE 3.2Å; Y190-V320 HydrophobicContact CD1-CG2 3.45Å; Y190-V320 VanDerWaalsContact CD1-CG2 3.45Å; Y190-V320 HydrophobicContact CE1-CG2 3.35Å; Y190-F342 AromaticContact CD1-CE2 3.58Å; Y190-F342 HydrophobicContact CD1-CE2 3.58Å; Y190-F342 AromaticContact CD1-CZ 3.62Å; Y190-F342 HydrophobicContact CD1-CZ 3.62Å; Y190-F342 AromaticContact CE1-CE2 3.66Å; Y190-F342 HydrophobicContact CE1-CE2 3.66Å; Y190-F342 HydrophobicContact CE1-CZ 4.1Å | ||
| 191 | D | 91.8 | Very high | 90.2 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 8% | 0.075 | 23% | 0.231 | C | C | . | . | trans | -113 | 177.3 | 169.9 | 60.1 | 48.9 | 0 | 0 | 0 | 111.7 | R174 R193 S194 M195 Y208 E210 | R174-D191 HydrophobicContact CB-CB 4.07Å; R174-D191 WeakPolarHBondContact CD-OD2 3.28Å; R174-D191 IonicContact NH1-OD2 2.7Å; D191-R193 PolarHBondContact O-N 3.35Å; D191-R193 WeakPolarHBondContact OD1-CA 3.3Å; D191-R193 WeakPolarHBondContact OD1-CB 3.41Å; D191-R193 PolarHBondContact OD1-N 2.85Å; D191-S194 PolarHBondContact N-OG 3.44Å; D191-S194 PolarHBondContact O-N 3.41Å; D191-S194 PolarHBondContact O-OG 2.93Å; D191-S194 PolarHBondContact OD1-N 2.87Å; D191-S194 PolarHBondContact OD1-OG 3.22Å; D191-M195 PolarHBondContact O-N 3.32Å; D191-Y208 WeakPolarHBondContact CA-OH 3.46Å; D191-E210 HydrophobicContact CB-CG 3.89Å | ||
| 192 | R | 89.8 | Confident | 90.2 | Very high | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -12.7 | -178.8 | 78.6 | -167.9 | 125.6 | 169.2 | 4.7 | 114.7 | D137 P196 F199 Y208 E210 Y278 I279 | D137-R192 IonicContact OD2-CZ 3.01Å; D137-R192 IonicContact OD2-NH2 3.9Å; D137-R192 PolarHBondContact OD2-NH2 2.75Å; R192-P196 VanDerWaalsContact O-CA 3.28Å; R192-P196 WeakPolarHBondContact O-CA 3.45Å; R192-F199 HydrophobicContact CB-CB 4.02Å; R192-F199 HydrophobicContact CB-CD1 3.83Å; R192-F199 HydrophobicContact CB-CD2 3.8Å; R192-F199 HydrophobicContact CB-CE1 4.19Å; R192-F199 HydrophobicContact CB-CE2 4.18Å; R192-F199 HydrophobicContact CB-CG 3.6Å; R192-F199 HydrophobicContact CB-CZ 4.36Å; R192-Y208 PolarHBondContact N-OH 3.27Å; R192-Y208 VanDerWaalsContact N-OH 3.11Å; R192-E210 WeakPolarHBondContact CD-OE2 3.29Å; R192-E210 VanDerWaalsContact CG-OE2 3.3Å; R192-E210 WeakPolarHBondContact CG-OE2 3.4Å; R192-E210 IonicContact CZ-OE1 3.5Å; R192-E210 IonicContact CZ-OE2 2.63Å; R192-E210 IonicContact NE-OE1 2.89Å; R192-E210 PolarHBondContact NE-OE1 2.9Å; R192-E210 IonicContact NE-OE2 3.49Å; R192-E210 PolarHBondContact NE-OE2 3.47Å; R192-E210 IonicContact NH2-OE1 3.9Å; R192-E210 PolarHBondContact NH2-OE1 3.4Å; R192-E210 IonicContact NH2-OE2 3.05Å; R192-E210 PolarHBondContact NH2-OE2 2.91Å; R192-Y278 HydrophobicContact CG-CD1 4.5Å; R192-Y278 HydrophobicContact CG-CG 4.43Å; R192-Y278 WeakPolarHBondContact O-CE1 3.47Å; R192-I279 VanDerWaalsContact NH1-CD1 3.27Å |
| 193 | R | 89.8 | Confident | 90.1 | Very high | 30 Ų | 30 | 49.2 Ų | 49.2 | 11% | 0.113 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -38.2 | 178.6 | -66.6 | 170 | -175.7 | 71.8 | 9.7 | 111.9 | D191 M195 E210 R259 D276 Y278 N319 | D191-R193 PolarHBondContact O-N 3.35Å; D191-R193 WeakPolarHBondContact OD1-CA 3.3Å; D191-R193 WeakPolarHBondContact OD1-CB 3.41Å; D191-R193 PolarHBondContact OD1-N 2.85Å; R193-M195 VanDerWaalsContact C-N 3.3Å; R193-M195 PolarHBondContact O-N 3.23Å; R193-E210 IonicContact CZ-OE1 3.53Å; R193-E210 IonicContact NH1-OE1 2.78Å; R193-E210 PolarHBondContact NH1-OE1 2.89Å; R193-E210 IonicContact NH1-OE2 3.02Å; R193-E210 PolarHBondContact NH1-OE2 3.26Å; R193-R259 VanDerWaalsContact CZ-NE 3.25Å; R193-R259 VanDerWaalsContact NE-NE 3.18Å; R193-R259 VanDerWaalsContact NH2-CZ 3.33Å; R193-D276 IonicContact CZ-OD1 3.52Å; R193-D276 IonicContact CZ-OD2 3.43Å; R193-D276 IonicContact NE-OD2 2.91Å; R193-D276 PolarHBondContact NE-OD2 3.01Å; R193-D276 VanDerWaalsContact NH2-CG 3.33Å; R193-D276 IonicContact NH2-OD1 3.26Å; R193-D276 PolarHBondContact NH2-OD1 3.41Å; R193-D276 IonicContact NH2-OD2 3.65Å; R193-D276 PolarHBondContact NH2-OD2 3.26Å; R193-Y278 HydrophobicContact CG-CD2 3.81Å; R193-Y278 HydrophobicContact CG-CE2 3.82Å; R193-Y278 HydrophobicContact CG-CG 4.48Å; R193-N319 PolarHBondContact O-OD1 2.95Å |
| 194 | S | 88.3 | Confident | 90.1 | Very high | 8 Ų | 8 | 50 Ų | 50 | 6% | 0.056 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -27.7 | 177.8 | 66.9 | 0 | 0 | 0 | 0 | 113.3 | Y190 D191 | Y190-S194 VanDerWaalsContact CA-OG 3.31Å; Y190-S194 WeakPolarHBondContact CA-OG 3.5Å; Y190-S194 WeakPolarHBondContact CB-OG 3.48Å; D191-S194 PolarHBondContact N-OG 3.44Å; D191-S194 PolarHBondContact O-N 3.41Å; D191-S194 PolarHBondContact O-OG 2.93Å; D191-S194 PolarHBondContact OD1-N 2.87Å; D191-S194 PolarHBondContact OD1-OG 3.22Å |
| 195 | M | 81.8 | Confident | 90 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -145.1 | 80.4 | 171.9 | -80.2 | -153.9 | -103.8 | 0 | 0 | 111.5 | Y148 Y190 D191 R193 F197 D198 V320 | Y148-M195 HydrophobicContact CD1-CE 3.32Å; Y148-M195 HydrophobicContact CD1-SD 4.14Å; Y148-M195 HydrophobicContact CD2-CE 4.41Å; Y148-M195 HydrophobicContact CE1-CE 3.21Å; Y148-M195 HydrophobicContact CE1-SD 3.5Å; Y148-M195 VanDerWaalsContact CE1-SD 3.5Å; Y148-M195 HydrophobicContact CE2-CE 4.35Å; Y148-M195 HydrophobicContact CE2-SD 4.05Å; Y148-M195 HydrophobicContact CG-CE 3.93Å; Y148-M195 PolarHBondContact OH-SD 3.49Å; Y148-M195 VanDerWaalsContact OH-SD 3.41Å; Y190-M195 HydrophobicContact CD1-CE 3.07Å; Y190-M195 HydrophobicContact CD1-CG 4.38Å; Y190-M195 HydrophobicContact CD2-CE 3.44Å; Y190-M195 VanDerWaalsContact CD2-CE 3.44Å; Y190-M195 HydrophobicContact CE1-CE 3.12Å; Y190-M195 HydrophobicContact CE2-CE 3.41Å; Y190-M195 VanDerWaalsContact CE2-CE 3.41Å; Y190-M195 HydrophobicContact CG-CE 3.2Å; D191-M195 PolarHBondContact O-N 3.32Å; R193-M195 VanDerWaalsContact C-N 3.3Å; R193-M195 PolarHBondContact O-N 3.23Å; M195-F197 PolarHBondContact O-N 2.55Å; M195-D198 HydrophobicContact CB-CB 4.43Å; M195-D198 PolarHBondContact O-N 2.78Å; M195-V320 HydrophobicContact CE-CG2 4.3Å; M195-V320 HydrophobicContact CG-CG2 4.26Å |
| 196 | P | 83.5 | Confident | 89.9 | Confident | 48 Ų | 48 | 52 Ų | 52 | 31% | 0.312 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -68.8 | -33.6 | -172.4 | 27 | -34.8 | 0 | 0 | 0 | 113.9 | R192 D198 F199 Y278 | R192-P196 VanDerWaalsContact O-CA 3.28Å; R192-P196 WeakPolarHBondContact O-CA 3.45Å; P196-D198 PolarHBondContact O-N 2.89Å; P196-F199 PolarHBondContact O-N 2.71Å; P196-Y278 HydrophobicContact CB-CE1 3.58Å; P196-Y278 WeakPolarHBondContact CB-OH 3.45Å |
| 197 | F | 81.2 | Confident | 89.8 | Confident | 197 Ų | 197 | 50.9 Ų | 50.9 | 86% | 0.864 | 24% | 0.242 | S | C | * | . | G | 310 helix | trans | -69.3 | -18.4 | -179.6 | -63.8 | -70.5 | 0 | 0 | 0 | 113.8 | M195 | M195-F197 PolarHBondContact O-N 2.55Š|
| 198 | D | 84.4 | Confident | 89.8 | Confident | 25 Ų | 25 | 50.8 Ų | 50.8 | 13% | 0.134 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -101.5 | -2.6 | -177.6 | -70.8 | -60.1 | 0 | 0 | 0 | 113 | V144 R145 Y148 M195 P196 H200 | V144-D198 WeakPolarHBondContact CA-O 3.29Å; R145-D198 HydrophobicContact CB-CB 4.19Å; R145-D198 IonicContact CZ-OD1 3.45Å; R145-D198 PolarHBondContact N-O 3.24Å; R145-D198 IonicContact NE-OD1 2.77Å; R145-D198 IonicContact NH1-OD1 3.18Å; R145-D198 PolarHBondContact NH1-OD1 3.5Å; R145-D198 IonicContact NH1-OD2 3.36Å; Y148-D198 HydrophobicContact CD2-CB 4.14Å; Y148-D198 HydrophobicContact CE2-CB 3.65Å; Y148-D198 WeakPolarHBondContact CE2-OD2 3.26Å; Y148-D198 PolarHBondContact OH-OD2 2.78Å; M195-D198 HydrophobicContact CB-CB 4.43Å; M195-D198 PolarHBondContact O-N 2.78Å; P196-D198 PolarHBondContact O-N 2.89Å; D198-H200 PolarHBondContact O-ND1 2.86Å |
| 199 | F | 89 | Confident | 89.9 | Confident | 34 Ų | 34 | 50.8 Ų | 50.8 | 15% | 0.149 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 117.9 | 170.1 | -178.3 | -111.8 | 0 | 0 | 0 | 109.7 | M142 V144 R192 P196 Y208 | M142-F199 HydrophobicContact CB-CE2 3.76Å; M142-F199 HydrophobicContact CB-CZ 3.77Å; M142-F199 HydrophobicContact CE-CD1 3.82Å; M142-F199 HydrophobicContact CE-CE1 3.3Å; M142-F199 HydrophobicContact CE-CE2 4.06Å; M142-F199 HydrophobicContact CE-CG 4.41Å; M142-F199 HydrophobicContact CE-CZ 3.44Å; M142-F199 VanDerWaalsContact CE-CZ 3.44Å; M142-F199 HydrophobicContact CG-CE2 4.38Å; M142-F199 HydrophobicContact CG-CZ 3.87Å; V144-F199 HydrophobicContact CG1-CD2 4.24Å; R192-F199 HydrophobicContact CB-CB 4.02Å; R192-F199 HydrophobicContact CB-CD1 3.83Å; R192-F199 HydrophobicContact CB-CD2 3.8Å; R192-F199 HydrophobicContact CB-CE1 4.19Å; R192-F199 HydrophobicContact CB-CE2 4.18Å; R192-F199 HydrophobicContact CB-CG 3.6Å; R192-F199 HydrophobicContact CB-CZ 4.36Å; P196-F199 PolarHBondContact O-N 2.71Å; F199-Y208 HydrophobicContact CD2-CE1 4.39Å; F199-Y208 HydrophobicContact CD2-CE2 4.38Å; F199-Y208 AromaticContact CE2-CD1 3.7Å; F199-Y208 HydrophobicContact CE2-CD1 3.7Å; F199-Y208 HydrophobicContact CE2-CD2 4.18Å; F199-Y208 AromaticContact CE2-CE1 3.75Å; F199-Y208 HydrophobicContact CE2-CE1 3.75Å; F199-Y208 HydrophobicContact CE2-CE2 4.27Å; F199-Y208 AromaticContact CE2-CG 3.9Å; F199-Y208 HydrophobicContact CE2-CG 3.9Å; F199-Y208 HydrophobicContact CZ-CD1 4.35Å; F199-Y208 HydrophobicContact CZ-CE1 4.48Å |
| 200 | H | 90.5 | Very high | 90 | Very high | 82 Ų | 82 | 46.9 Ų | 46.9 | 38% | 0.38 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 169.2 | -169.2 | 62.1 | -78.4 | 0 | 0 | 0 | 111.8 | M142 S143 V144 R145 D198 G202 | M142-H200 VanDerWaalsContact CE-C 3.46Å; M142-H200 VanDerWaalsContact CE-O 3.32Å; M142-H200 WeakPolarHBondContact CE-O 3.25Å; S143-H200 PolarHBondContact N-O 2.75Å; S143-H200 PolarHBondContact O-N 2.87Å; V144-H200 VanDerWaalsContact C-CE1 3.45Å; R145-H200 PolarHBondContact N-CE1 2.03Å; D198-H200 PolarHBondContact O-ND1 2.86Å; H200-G202 PolarHBondContact O-N 3.3Å |
| 201 | E | 91.1 | Very high | 90.2 | Very high | 154 Ų | 154 | 46.1 Ų | 46.1 | 72% | 0.72 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -63 | 122.9 | 173.2 | -170.9 | 174.4 | -173.5 | 0 | 0 | 110.3 | ||
| 202 | G | 90.6 | Very high | 90.3 | Very high | 14 Ų | 14 | 45.7 Ų | 45.7 | 14% | 0.144 | 22% | 0.22 | C | C | . | . | trans | -92.6 | -177.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | K141 H200 Q206 | K141-G202 PolarHBondContact O-N 3.03Å; H200-G202 PolarHBondContact O-N 3.3Å; G202-Q206 VanDerWaalsContact CA-OE1 3.31Å | ||
| 203 | R | 93 | Very high | 90.2 | Very high | 177 Ų | 177 | 46.9 Ų | 46.9 | 67% | 0.668 | 23% | 0.229 | S | C | * | . | trans | -67 | 158.1 | 171.2 | -57.3 | -174.9 | -179.6 | 177.6 | -0.4 | 110.7 | E205 Q206 | R203-E205 WeakPolarHBondContact CB-OE2 3.26Å; R203-E205 PolarHBondContact O-N 2.93Å; R203-E205 VanDerWaalsContact O-N 3.07Å; R203-Q206 HydrophobicContact CB-CG 4.2Å; R203-Q206 WeakPolarHBondContact O-CB 3.27Å; R203-Q206 PolarHBondContact O-N 2.96Å | ||
| 204 | A | 91.5 | Very high | 89.3 | Confident | 50 Ų | 50 | 46.7 Ų | 46.7 | 41% | 0.413 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -28.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | Y180 Q206 | Y180-A204 PolarHBondContact OH-O 2.61Å; A204-Q206 VanDerWaalsContact C-N 3.33Å |
| 205 | E | 91.8 | Very high | 88.3 | Confident | 64 Ų | 64 | 49 Ų | 49 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -9.9 | -179.9 | -52.8 | 71.6 | -155.7 | 0 | 0 | 114.6 | N179 Y180 V181 R203 | N179-E205 WeakPolarHBondContact CA-O 3.36Å; Y180-E205 WeakPolarHBondContact CD1-O 3.29Å; Y180-E205 HydrophobicContact CE1-CB 4.12Å; Y180-E205 WeakPolarHBondContact CE1-O 3.47Å; Y180-E205 HydrophobicContact CE2-CB 4.2Å; Y180-E205 HydrophobicContact CE2-CG 4.13Å; Y180-E205 VanDerWaalsContact CZ-CA 3.45Å; Y180-E205 PolarHBondContact N-O 3.17Å; V181-E205 HydrophobicContact CB-CB 4.41Å; V181-E205 HydrophobicContact CB-CG 4.09Å; V181-E205 HydrophobicContact CG2-CB 4Å; V181-E205 HydrophobicContact CG2-CG 3.41Å; V181-E205 VanDerWaalsContact CG2-CG 3.41Å; R203-E205 WeakPolarHBondContact CB-OE2 3.26Å; R203-E205 PolarHBondContact O-N 2.93Å; R203-E205 VanDerWaalsContact O-N 3.07Å |
| 206 | Q | 93.2 | Very high | 87.9 | Confident | 25 Ų | 25 | 50.7 Ų | 50.7 | 12% | 0.117 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 139.8 | -174.7 | -68.6 | 178.7 | -47.8 | 0 | 0 | 111.6 | K141 I177 F178 G202 R203 A204 | K141-Q206 WeakPolarHBondContact CA-O 3.25Å; K141-Q206 PolarHBondContact N-O 2.63Å; I177-Q206 HydrophobicContact CG2-CB 3.94Å; I177-Q206 HydrophobicContact CG2-CG 4.1Å; F178-Q206 CarbonylContact O-C 3.58Å; F178-Q206 WeakPolarHBondContact O-CA 3.39Å; G202-Q206 VanDerWaalsContact CA-OE1 3.31Å; R203-Q206 HydrophobicContact CB-CG 4.2Å; R203-Q206 WeakPolarHBondContact O-CB 3.27Å; R203-Q206 PolarHBondContact O-N 2.96Å; A204-Q206 VanDerWaalsContact C-N 3.33Å |
| 207 | I | 93.4 | Very high | 87.7 | Confident | 9 Ų | 9 | 55.7 Ų | 55.7 | 5% | 0.046 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 117.9 | 175.4 | -56.7 | 177.3 | 0 | 0 | 0 | 107.5 | V138 M158 I177 F178 Y180 L209 | V138-I207 HydrophobicContact CG1-CG2 3.46Å; V138-I207 VanDerWaalsContact CG1-CG2 3.46Å; M158-I207 HydrophobicContact SD-CD1 4.06Å; M158-I207 HydrophobicContact SD-CG2 4.03Å; I177-I207 WeakPolarHBondContact CA-O 3.08Å; F178-I207 HydrophobicContact CD1-CD1 4.47Å; F178-I207 PolarHBondContact N-O 2.87Å; F178-I207 PolarHBondContact O-N 3.42Å; Y180-I207 HydrophobicContact CD1-CD1 4.14Å; Y180-I207 HydrophobicContact CD1-CG1 4.4Å; I207-L209 HydrophobicContact CG2-CD2 3.86Å; I207-L209 HydrophobicContact CG2-CG 4.49Å |
| 208 | Y | 94.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 128.9 | 173.6 | -179.9 | -103.3 | 0 | 0 | 0 | 110.2 | V139 M142 V144 S175 I177 D191 R192 F199 E210 | V139-Y208 HydrophobicContact CB-CD1 4.22Å; V139-Y208 HydrophobicContact CG2-CD1 4.15Å; V139-Y208 PolarHBondContact N-O 3.38Å; V139-Y208 WeakPolarHBondContact O-CB 3.4Å; V139-Y208 PolarHBondContact O-N 3.16Å; M142-Y208 WeakPolarHBondContact O-CB 3.24Å; V144-Y208 HydrophobicContact CG1-CD2 4.46Å; V144-Y208 HydrophobicContact CG1-CE2 3.76Å; S175-Y208 VanDerWaalsContact CB-OH 3.32Å; S175-Y208 WeakPolarHBondContact CB-OH 3.23Å; S175-Y208 WeakPolarHBondContact OG-CE2 3.27Å; I177-Y208 HydrophobicContact CG1-CD2 4.22Å; D191-Y208 WeakPolarHBondContact CA-OH 3.46Å; R192-Y208 PolarHBondContact N-OH 3.27Å; R192-Y208 VanDerWaalsContact N-OH 3.11Å; F199-Y208 HydrophobicContact CD2-CE1 4.39Å; F199-Y208 HydrophobicContact CD2-CE2 4.38Å; F199-Y208 AromaticContact CE2-CD1 3.7Å; F199-Y208 HydrophobicContact CE2-CD1 3.7Å; F199-Y208 HydrophobicContact CE2-CD2 4.18Å; F199-Y208 AromaticContact CE2-CE1 3.75Å; F199-Y208 HydrophobicContact CE2-CE1 3.75Å; F199-Y208 HydrophobicContact CE2-CE2 4.27Å; F199-Y208 AromaticContact CE2-CG 3.9Å; F199-Y208 HydrophobicContact CE2-CG 3.9Å; F199-Y208 HydrophobicContact CZ-CD1 4.35Å; F199-Y208 HydrophobicContact CZ-CE1 4.48Å; Y208-E210 HydrophobicContact CD1-CB 4.46Å; Y208-E210 HydrophobicContact CE1-CB 3.7Å; Y208-E210 HydrophobicContact CE1-CG 4.36Å; Y208-E210 PolarHBondContact OH-OE2 2.98Å |
| 209 | L | 95.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 113 | -178.3 | -55 | 172.9 | 0 | 0 | 0 | 108.1 | Y136 V138 M158 C161 E162 S175 A176 F178 I207 | Y136-L209 HydrophobicContact CD1-CB 3.91Å; Y136-L209 HydrophobicContact CE1-CB 4.31Å; V138-L209 HydrophobicContact CB-CD2 4.45Å; V138-L209 HydrophobicContact CG1-CD2 4.05Å; V138-L209 HydrophobicContact CG2-CD2 3.88Å; M158-L209 HydrophobicContact CG-CD1 3.98Å; M158-L209 HydrophobicContact CG-CD2 3.96Å; M158-L209 HydrophobicContact SD-CD2 3.93Å; C161-L209 HydrophobicContact CB-CD1 4.14Å; E162-L209 HydrophobicContact CG-CD1 3.97Å; S175-L209 CarbonylContact C-O 3.59Å; S175-L209 WeakPolarHBondContact CA-O 3.23Å; S175-L209 VanDerWaalsContact CB-O 3.23Å; S175-L209 WeakPolarHBondContact CB-O 3.49Å; A176-L209 HydrophobicContact CB-CB 4.42Å; A176-L209 PolarHBondContact N-O 3.48Å; A176-L209 PolarHBondContact O-N 3.48Å; F178-L209 HydrophobicContact CB-CD1 4.18Å; I207-L209 HydrophobicContact CG2-CD2 3.86Å; I207-L209 HydrophobicContact CG2-CG 4.49Å |
| 210 | E | 94.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 118.7 | 179.2 | -170.7 | -179.2 | 95.7 | 0 | 0 | 111.5 | Y136 D137 D191 R192 R193 Y208 Q212 R259 | Y136-E210 WeakPolarHBondContact CA-O 3.14Å; D137-E210 HydrophobicContact CB-CB 4.25Å; D137-E210 PolarHBondContact N-O 2.86Å; D137-E210 PolarHBondContact O-N 2.92Å; D191-E210 HydrophobicContact CB-CG 3.89Å; R192-E210 WeakPolarHBondContact CD-OE2 3.29Å; R192-E210 VanDerWaalsContact CG-OE2 3.3Å; R192-E210 WeakPolarHBondContact CG-OE2 3.4Å; R192-E210 IonicContact CZ-OE1 3.5Å; R192-E210 IonicContact CZ-OE2 2.63Å; R192-E210 IonicContact NE-OE1 2.89Å; R192-E210 PolarHBondContact NE-OE1 2.9Å; R192-E210 IonicContact NE-OE2 3.49Å; R192-E210 PolarHBondContact NE-OE2 3.47Å; R192-E210 IonicContact NH2-OE1 3.9Å; R192-E210 PolarHBondContact NH2-OE1 3.4Å; R192-E210 IonicContact NH2-OE2 3.05Å; R192-E210 PolarHBondContact NH2-OE2 2.91Å; R193-E210 IonicContact CZ-OE1 3.53Å; R193-E210 IonicContact NH1-OE1 2.78Å; R193-E210 PolarHBondContact NH1-OE1 2.89Å; R193-E210 IonicContact NH1-OE2 3.02Å; R193-E210 PolarHBondContact NH1-OE2 3.26Å; Y208-E210 HydrophobicContact CD1-CB 4.46Å; Y208-E210 HydrophobicContact CE1-CB 3.7Å; Y208-E210 HydrophobicContact CE1-CG 4.36Å; Y208-E210 PolarHBondContact OH-OE2 2.98Å; E210-Q212 VanDerWaalsContact CG-NE2 3.35Å; E210-Q212 PolarHBondContact O-N 3.32Å; E210-Q212 PolarHBondContact O-NE2 2.97Å; E210-Q212 PolarHBondContact OE1-NE2 2.89Å; E210-R259 IonicContact OE1-CZ 3.27Å; E210-R259 IonicContact OE1-NH1 2.91Å; E210-R259 IonicContact OE1-NH2 3.11Å; E210-R259 PolarHBondContact OE1-NH2 3.5Å |
| 211 | N | 94.6 | Very high | 87.4 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 106.4 | -179.6 | -174.3 | 2.7 | 0 | 0 | 0 | 110.5 | Y136 C173 R174 C213 H214 | Y136-N211 HydrophobicContact CD1-CB 4.41Å; Y136-N211 HydrophobicContact CE1-CB 3.72Å; C173-N211 PolarHBondContact O-ND2 2.02Å; R174-N211 WeakPolarHBondContact O-CB 3.22Å; R174-N211 PolarHBondContact O-N 3.42Å; N211-C213 VanDerWaalsContact C-N 3.34Å; N211-C213 WeakPolarHBondContact OD1-CB 3.03Å; N211-C213 PolarHBondContact OD1-N 3.37Å; N211-C213 VanDerWaalsContact OD1-N 3.09Å; N211-H214 HydrophobicContact CB-CB 4.35Å; N211-H214 WeakPolarHBondContact O-CB 3.46Å |
| 212 | Q | 93.3 | Very high | 87.3 | Confident | 4 Ų | 4 | 52.1 Ų | 52.1 | 2% | 0.019 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -75.5 | -25.8 | 177.6 | -54.3 | -53.1 | -63.2 | 0 | 0 | 112 | F132 R135 E210 H214 | F132-Q212 HydrophobicContact CD2-CB 4.25Å; F132-Q212 WeakPolarHBondContact CE2-O 3.15Å; R135-Q212 WeakPolarHBondContact O-CB 3.36Å; R135-Q212 WeakPolarHBondContact O-CG 3.23Å; R135-Q212 PolarHBondContact O-N 3.31Å; E210-Q212 VanDerWaalsContact CG-NE2 3.35Å; E210-Q212 PolarHBondContact O-N 3.32Å; E210-Q212 PolarHBondContact O-NE2 2.97Å; E210-Q212 PolarHBondContact OE1-NE2 2.89Å; Q212-H214 PolarHBondContact O-N 3.3Å |
| 213 | C | 88.2 | Confident | 87.4 | Confident | 27 Ų | 27 | 53.7 Ų | 53.7 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -80.9 | 27.1 | -171.3 | -77.6 | 0 | 0 | 0 | 0 | 114.4 | C130 R135 N211 | C130-C213 HydrophobicContact CB-CB 3.17Å; C130-C213 WeakPolarHBondContact CB-SG 3.36Å; C130-C213 WeakPolarHBondContact SG-CB 3.31Å; C130-C213 CovalentContact SG-SG 2.01Å; C130-C213 PolarHBondContact SG-SG 3.15Å; R135-C213 HydrophobicContact CG-CB 3.94Å; N211-C213 VanDerWaalsContact C-N 3.34Å; N211-C213 WeakPolarHBondContact OD1-CB 3.03Å; N211-C213 PolarHBondContact OD1-N 3.37Å; N211-C213 VanDerWaalsContact OD1-N 3.09Å |
| 214 | H | 72.2 | Confident | 87.4 | Confident | 25 Ų | 25 | 46.8 Ų | 46.8 | 12% | 0.116 | 22% | 0.223 | C | C | . | . | trans | -132.4 | 70.7 | -159.4 | -175.9 | 88.3 | 0 | 0 | 0 | 109.6 | Q172 C173 R174 N211 Q212 | Q172-H214 VanDerWaalsContact CD-CE1 3.47Å; Q172-H214 VanDerWaalsContact CD-NE2 3.34Å; Q172-H214 WeakPolarHBondContact CG-CE1 3.35Å; Q172-H214 WeakPolarHBondContact CG-NE2 3.43Å; Q172-H214 PolarHBondContact NE2-CD2 2.83Å; Q172-H214 VanDerWaalsContact NE2-CD2 3.26Å; Q172-H214 PolarHBondContact NE2-CE1 2.92Å; Q172-H214 PolarHBondContact NE2-ND1 3.25Å; Q172-H214 PolarHBondContact NE2-NE2 2.79Å; C173-H214 PolarHBondContact N-CE1 2.95Å; C173-H214 PolarHBondContact O-CE1 3Å; C173-H214 PolarHBondContact O-ND1 3.35Å; R174-H214 VanDerWaalsContact CG-CD2 3.47Å; R174-H214 WeakPolarHBondContact CG-CD2 3.47Å; R174-H214 WeakPolarHBondContact CG-NE2 3.28Å; N211-H214 HydrophobicContact CB-CB 4.35Å; N211-H214 WeakPolarHBondContact O-CB 3.46Å; Q212-H214 PolarHBondContact O-N 3.3Å | ||
| 215 | Y | 67.3 | Low | 87.6 | Confident | 58 Ų | 58 | 50.5 Ų | 50.5 | 23% | 0.227 | 23% | 0.231 | C | C | . | . | trans | -149.4 | 129.9 | -169.4 | -160.8 | -113.8 | 0 | 0 | 0 | 111.7 | Y218 L257 C299 N318 | Y215-Y218 HydrophobicContact CD1-CD2 4.46Å; Y215-Y218 HydrophobicContact CD2-CD2 4.31Å; Y215-Y218 AromaticContact CD2-CE2 3.9Å; Y215-Y218 HydrophobicContact CD2-CE2 3.9Å; Y215-Y218 AromaticContact CE1-CD2 3.72Å; Y215-Y218 HydrophobicContact CE1-CD2 3.72Å; Y215-Y218 HydrophobicContact CE1-CE2 4.27Å; Y215-Y218 AromaticContact CE2-CD2 3.53Å; Y215-Y218 HydrophobicContact CE2-CD2 3.53Å; Y215-Y218 AromaticContact CE2-CE2 3.39Å; Y215-Y218 HydrophobicContact CE2-CE2 3.39Å; Y215-Y218 AromaticContact CZ-CD2 3.2Å; Y215-Y218 AromaticContact CZ-CE2 3.63Å; Y215-Y218 WeakPolarHBondContact OH-CD2 3.19Å; Y215-L257 HydrophobicContact CD1-CD1 3.38Å; Y215-L257 HydrophobicContact CD2-CD1 3.69Å; Y215-L257 HydrophobicContact CD2-CD2 4Å; Y215-L257 HydrophobicContact CE1-CD1 3.4Å; Y215-L257 VanDerWaalsContact CE1-CD1 3.4Å; Y215-L257 HydrophobicContact CE2-CD1 3.72Å; Y215-L257 HydrophobicContact CE2-CD2 4.31Å; Y215-L257 HydrophobicContact CG-CD1 3.52Å; Y215-L257 HydrophobicContact CG-CD2 4.36Å; Y215-C299 PolarHBondContact OH-SG 3.03Å; Y215-C299 VanDerWaalsContact OH-SG 3.38Å; Y215-N318 HydrophobicContact CE2-CB 4.18Å | ||
| 216 | H | 72.6 | Confident | 87.7 | Confident | 58 Ų | 58 | 50.4 Ų | 50.4 | 27% | 0.269 | 23% | 0.231 | S | C | . | . | trans | -75.7 | 135.3 | 159.1 | -174.5 | 52.2 | 0 | 0 | 0 | 107.9 | Y218 D301 R316 | H216-Y218 VanDerWaalsContact C-N 3.33Å; H216-Y218 HydrophobicContact CB-CD2 4.33Å; H216-Y218 HydrophobicContact CB-CE1 4.37Å; H216-Y218 HydrophobicContact CB-CE2 3.83Å; H216-Y218 AromaticContact CD2-CE1 3.96Å; H216-Y218 WeakPolarHBondContact O-CD2 3.34Å; H216-Y218 WeakPolarHBondContact O-CE2 3.03Å; H216-Y218 PolarHBondContact O-N 2.82Å; H216-D301 IonicContact CD2-OD2 3.86Å; H216-D301 IonicContact NE2-OD2 3.93Å; H216-D301 PolarHBondContact NE2-OD2 2.82Å; H216-R316 PolarHBondContact CE1-NH1 3.45Å; H216-R316 PolarHBondContact ND1-NH1 2.77Å; H216-R316 VanDerWaalsContact ND1-NH1 3.2Å | ||
| 217 | R | 79.1 | Confident | 87.7 | Confident | 153 Ų | 153 | 55.4 Ų | 55.4 | 58% | 0.577 | 25% | 0.254 | S | S | * | . | trans | -74.9 | 89.2 | 177 | -67.3 | -170 | -173.8 | -166.9 | 2.8 | 109.9 | ||||
| 218 | Y | 84.7 | Confident | 87.5 | Confident | 7 Ų | 7 | 55 Ų | 55 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | trans | -69.8 | 143.4 | 178.7 | -57.7 | -94 | 0 | 0 | 0 | 111.2 | Y215 H216 C299 D301 R316 S317 N318 | Y215-Y218 HydrophobicContact CD1-CD2 4.46Å; Y215-Y218 HydrophobicContact CD2-CD2 4.31Å; Y215-Y218 AromaticContact CD2-CE2 3.9Å; Y215-Y218 HydrophobicContact CD2-CE2 3.9Å; Y215-Y218 AromaticContact CE1-CD2 3.72Å; Y215-Y218 HydrophobicContact CE1-CD2 3.72Å; Y215-Y218 HydrophobicContact CE1-CE2 4.27Å; Y215-Y218 AromaticContact CE2-CD2 3.53Å; Y215-Y218 HydrophobicContact CE2-CD2 3.53Å; Y215-Y218 AromaticContact CE2-CE2 3.39Å; Y215-Y218 HydrophobicContact CE2-CE2 3.39Å; Y215-Y218 AromaticContact CZ-CD2 3.2Å; Y215-Y218 AromaticContact CZ-CE2 3.63Å; Y215-Y218 WeakPolarHBondContact OH-CD2 3.19Å; H216-Y218 VanDerWaalsContact C-N 3.33Å; H216-Y218 HydrophobicContact CB-CD2 4.33Å; H216-Y218 HydrophobicContact CB-CE1 4.37Å; H216-Y218 HydrophobicContact CB-CE2 3.83Å; H216-Y218 AromaticContact CD2-CE1 3.96Å; H216-Y218 WeakPolarHBondContact O-CD2 3.34Å; H216-Y218 WeakPolarHBondContact O-CE2 3.03Å; H216-Y218 PolarHBondContact O-N 2.82Å; Y218-C299 VanDerWaalsContact CB-CB 3.47Å; Y218-C299 HydrophobicContact CD1-CB 3.84Å; Y218-C299 HydrophobicContact CD2-CB 3.84Å; Y218-C299 HydrophobicContact CG-CB 3.43Å; Y218-C299 VanDerWaalsContact CG-CB 3.43Å; Y218-D301 VanDerWaalsContact CA-OD2 3.28Å; Y218-D301 WeakPolarHBondContact CA-OD2 3.32Å; Y218-D301 HydrophobicContact CD1-CB 4.15Å; Y218-R316 HydrophobicContact CE1-CB 4.43Å; Y218-R316 WeakPolarHBondContact CE1-O 3.28Å; Y218-S317 PolarHBondContact OH-O 3.2Å; Y218-N318 HydrophobicContact CE2-CB 3.82Å; Y218-N318 PolarHBondContact OH-N 3.17Å | ||
| 219 | R | 78.8 | Confident | 87.2 | Confident | 200 Ų | 200 | 55.1 Ų | 55.1 | 76% | 0.755 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -99.7 | -36.2 | 176.8 | -62.9 | -178.6 | -178.8 | -174.8 | -0.5 | 111 | D301 | R219-D301 PolarHBondContact N-OD1 2.99Å; R219-D301 PolarHBondContact N-OD2 2.58Å |
| 220 | E | 84.3 | Confident | 86.9 | Confident | 127 Ų | 127 | 55.1 Ų | 55.1 | 59% | 0.593 | 25% | 0.252 | S | S | * | . | trans | -107.5 | 112.1 | -176.9 | -62.3 | -55.8 | 154.1 | 0 | 0 | 111.2 | C299 M300 D301 | E220-C299 CarbonylContact O-C 3.53Å; E220-C299 VanDerWaalsContact O-CA 3.29Å; E220-C299 WeakPolarHBondContact O-CA 3.29Å; E220-M300 PolarHBondContact O-N 3.14Å; E220-D301 PolarHBondContact N-OD1 3.35Å | ||
| 221 | C | 90.6 | Very high | 86.3 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 5% | 0.054 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 142.7 | -179.9 | -55.6 | 0 | 0 | 0 | 0 | 111.7 | K247 I296 C299 | C221-K247 PolarHBondContact O-NZ 3.5Å; C221-I296 HydrophobicContact CB-CG2 3.79Å; C221-C299 HydrophobicContact CB-CB 3.97Å; C221-C299 WeakPolarHBondContact CB-SG 3.42Å; C221-C299 WeakPolarHBondContact SG-CB 3.09Å; C221-C299 CovalentContact SG-SG 2.04Å; C221-C299 PolarHBondContact SG-SG 2.91Å |
| 222 | D | 88.8 | Confident | 85.5 | Confident | 75 Ų | 75 | 56.6 Ų | 56.6 | 40% | 0.401 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 145.8 | 167.1 | -73.9 | -6.7 | 0 | 0 | 0 | 110.3 | N297 E298 R384 | D222-N297 HydrophobicContact CB-CB 4.29Å; D222-N297 PolarHBondContact O-N 3.01Å; D222-E298 PolarHBondContact N-O 2.76Å; D222-R384 IonicContact OD1-CZ 3.6Å; D222-R384 IonicContact OD1-NE 3.26Å; D222-R384 IonicContact OD1-NH2 3.43Å; D222-R384 PolarHBondContact OD1-NH2 2.72Å; D222-R384 IonicContact OD2-CZ 3.92Å; D222-R384 IonicContact OD2-NE 3.59Å; D222-R384 IonicContact OD2-NH2 3.35Å; D222-R384 PolarHBondContact OD2-NH2 3.31Å |
| 223 | V | 93.1 | Very high | 84.9 | Confident | 46 Ų | 46 | 56.5 Ų | 56.5 | 28% | 0.279 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 130.1 | 178.4 | -178.7 | 0 | 0 | 0 | 0 | 108.9 | K247 Y261 R294 Q295 | V223-K247 HydrophobicContact CG2-CD 4.06Å; V223-Y261 HydrophobicContact CG1-CE1 4.22Å; V223-Y261 HydrophobicContact CG2-CE1 4.48Å; V223-R294 HydrophobicContact CG1-CB 3.75Å; V223-R294 VanDerWaalsContact CG1-CD 3.47Å; V223-R294 HydrophobicContact CG1-CG 4.23Å; V223-Q295 VanDerWaalsContact CA-O 3.24Å; V223-Q295 WeakPolarHBondContact CA-O 3.39Å; V223-Q295 WeakPolarHBondContact CG1-O 3.46Å |
| 224 | S | 93.3 | Very high | 84.9 | Confident | 32 Ų | 32 | 55.6 Ų | 55.6 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 153.9 | 169.1 | 61.8 | 0 | 0 | 0 | 0 | 110.4 | Q226 R294 Q295 N297 | S224-Q226 PolarHBondContact OG-NE2 3.2Å; S224-R294 WeakPolarHBondContact O-CA 3.48Å; S224-Q295 PolarHBondContact N-O 2.74Å; S224-Q295 VanDerWaalsContact N-O 3.12Å; S224-Q295 PolarHBondContact O-N 2.88Å; S224-N297 VanDerWaalsContact CB-ND2 3.3Å; S224-N297 WeakPolarHBondContact CB-ND2 3.5Å; S224-N297 PolarHBondContact N-ND2 3.09Å; S224-N297 PolarHBondContact OG-ND2 3.2Å |
| 225 | E | 95.6 | Very high | 85.4 | Confident | 128 Ų | 128 | 55 Ų | 55 | 60% | 0.598 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 135.4 | 166.4 | -168.7 | 163.4 | 162.8 | 0 | 0 | 109.1 | Y293 | E225-Y293 WeakPolarHBondContact CA-O 3.44Å |
| 226 | Q | 94.1 | Very high | 86.5 | Confident | 63 Ų | 63 | 52.5 Ų | 52.5 | 29% | 0.294 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 159.6 | -179.3 | -61.3 | -60.9 | -55.8 | 0 | 0 | 109 | S224 T277 P292 Y293 Q295 | S224-Q226 PolarHBondContact OG-NE2 3.2Å; Q226-T277 PolarHBondContact OE1-OG1 3.44Å; Q226-P292 CarbonylContact O-C 3.28Å; Q226-P292 VanDerWaalsContact O-CA 3.31Å; Q226-P292 WeakPolarHBondContact O-CA 3.16Å; Q226-Y293 HydrophobicContact CB-CD1 4.33Å; Q226-Y293 HydrophobicContact CB-CD2 4.38Å; Q226-Y293 HydrophobicContact CB-CE1 3.74Å; Q226-Y293 HydrophobicContact CB-CE2 3.84Å; Q226-Y293 VanDerWaalsContact CB-CZ 3.47Å; Q226-Y293 HydrophobicContact CG-CE2 4.37Å; Q226-Y293 PolarHBondContact N-O 2.76Å; Q226-Y293 PolarHBondContact O-N 2.82Å; Q226-Q295 HydrophobicContact CG-CB 3.75Å |
| 227 | H | 92.3 | Very high | 87.3 | Confident | 130 Ų | 130 | 52.4 Ų | 52.4 | 60% | 0.602 | 25% | 0.249 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 123.8 | 174.8 | -166 | 175.5 | 0 | 0 | 0 | 108.8 | M290 T291 | H227-M290 VanDerWaalsContact NE2-C 3.26Å; H227-M290 WeakPolarHBondContact NE2-CB 3.41Å; H227-M290 PolarHBondContact NE2-O 3.13Å; H227-T291 PolarHBondContact CD2-N 3.28Å; H227-T291 PolarHBondContact CD2-O 3.43Å |
| 228 | G | 90.5 | Very high | 88 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.5 | -161.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | M290 T291 | G228-M290 CarbonylContact O-C 3.52Å; G228-M290 VanDerWaalsContact O-CA 3.28Å; G228-M290 WeakPolarHBondContact O-CA 3.42Å; G228-T291 PolarHBondContact N-O 3.26Å; G228-T291 PolarHBondContact O-N 2.75Å; G228-T291 VanDerWaalsContact O-O 3.09Å |
| 229 | I | 88.3 | Confident | 88.5 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -98.9 | -2 | -171.3 | 63.8 | 174.2 | 0 | 0 | 0 | 113.7 | S231 A232 L233 T280 L283 A288 M290 | I229-S231 PolarHBondContact O-N 3.04Å; I229-A232 WeakPolarHBondContact O-CA 3.45Å; I229-A232 VanDerWaalsContact O-CB 3.32Å; I229-A232 WeakPolarHBondContact O-CB 3.21Å; I229-A232 PolarHBondContact O-N 3.38Å; I229-L233 HydrophobicContact CD1-CD1 4.17Å; I229-L233 HydrophobicContact CG1-CD1 4.06Å; I229-L233 HydrophobicContact CG1-CG 4.4Å; I229-L233 WeakPolarHBondContact O-CG 3.4Å; I229-L233 PolarHBondContact O-N 3.2Å; I229-T280 HydrophobicContact CG1-CG2 4.21Å; I229-L283 HydrophobicContact CD1-CB 3.88Å; I229-L283 HydrophobicContact CD1-CD1 3.75Å; I229-L283 HydrophobicContact CD1-CG 4.47Å; I229-A288 HydrophobicContact CB-CB 4Å; I229-A288 HydrophobicContact CG2-CB 3.82Å; I229-A288 WeakPolarHBondContact CG2-O 3.31Å; I229-M290 HydrophobicContact CG2-CG 3.9Å |
| 230 | A | 87.6 | Confident | 89.3 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -53.5 | -33.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A232 L233 A234 D275 Y293 | A230-A232 PolarHBondContact O-N 3.19Å; A230-L233 PolarHBondContact O-N 3.25Å; A230-A234 PolarHBondContact O-N 3.28Å; A230-A234 VanDerWaalsContact O-N 3.09Å; A230-D275 HydrophobicContact CB-CB 4.32Å; A230-D275 WeakPolarHBondContact CB-O 3.28Å; A230-Y293 HydrophobicContact CB-CD1 4.09Å; A230-Y293 HydrophobicContact CB-CD2 4.03Å; A230-Y293 HydrophobicContact CB-CE1 3.95Å; A230-Y293 HydrophobicContact CB-CE2 3.85Å; A230-Y293 HydrophobicContact CB-CG 4.13Å |
| 231 | S | 83.2 | Confident | 89.9 | Confident | 14 Ų | 14 | 47.3 Ų | 47.3 | 10% | 0.098 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.5 | -39 | 174.1 | 59.9 | 0 | 0 | 0 | 0 | 113.7 | I229 L233 R271 T291 | I229-S231 PolarHBondContact O-N 3.04Å; S231-L233 VanDerWaalsContact C-N 3.3Å; S231-R271 PolarHBondContact O-NH2 2.85Å; S231-T291 WeakPolarHBondContact CB-OG1 3.2Å; S231-T291 PolarHBondContact OG-OG1 2.73Å |
| 232 | A | 78.8 | Confident | 90.2 | Very high | 31 Ų | 31 | 50.1 Ų | 50.1 | 26% | 0.256 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -71.7 | -29.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I229 A230 A288 | I229-A232 WeakPolarHBondContact O-CA 3.45Å; I229-A232 VanDerWaalsContact O-CB 3.32Å; I229-A232 WeakPolarHBondContact O-CB 3.21Å; I229-A232 PolarHBondContact O-N 3.38Å; A230-A232 PolarHBondContact O-N 3.19Å; A232-A288 HydrophobicContact CB-CB 4.14Å |
| 233 | L | 79.9 | Confident | 90.6 | Very high | 2 Ų | 2 | 49.4 Ų | 49.4 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -85.6 | -12.2 | 179.9 | -51.5 | -178 | 0 | 0 | 0 | 113.9 | L72 I229 A230 S231 P235 D275 I279 L283 | L72-L233 HydrophobicContact CB-CD2 4.21Å; L72-L233 HydrophobicContact CD1-CD2 3.23Å; L72-L233 HydrophobicContact CD2-CD2 3.38Å; L72-L233 HydrophobicContact CG-CD2 3.73Å; I229-L233 HydrophobicContact CD1-CD1 4.17Å; I229-L233 HydrophobicContact CG1-CD1 4.06Å; I229-L233 HydrophobicContact CG1-CG 4.4Å; I229-L233 WeakPolarHBondContact O-CG 3.4Å; I229-L233 PolarHBondContact O-N 3.2Å; A230-L233 PolarHBondContact O-N 3.25Å; S231-L233 VanDerWaalsContact C-N 3.3Å; L233-P235 WeakPolarHBondContact O-CD 3.14Å; L233-P235 VanDerWaalsContact O-N 3.11Å; L233-D275 HydrophobicContact CB-CB 4.1Å; L233-D275 WeakPolarHBondContact CB-OD2 3.34Å; L233-D275 HydrophobicContact CD1-CB 3.73Å; L233-I279 HydrophobicContact CD1-CG2 4.05Å; L233-L283 HydrophobicContact CD1-CD1 4.19Å |
| 234 | A | 87.1 | Confident | 90.7 | Very high | 8 Ų | 8 | 55.1 Ų | 55.1 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | trans | -59.9 | 111.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A230 R271 | A230-A234 PolarHBondContact O-N 3.28Å; A230-A234 VanDerWaalsContact O-N 3.09Å; A234-R271 HydrophobicContact CB-CB 4.13Å | ||
| 235 | P | 84.2 | Confident | 90.8 | Very high | 14 Ų | 14 | 54.2 Ų | 54.2 | 9% | 0.091 | 28% | 0.276 | C | S | . | . | trans | -79.2 | -23.3 | -176.3 | 32.8 | -36.6 | 0 | 0 | 0 | 112.9 | F52 L233 F256 F272 | F52-P235 HydrophobicContact CB-CB 3.56Å; F52-P235 HydrophobicContact CD1-CB 3.96Å; F52-P235 HydrophobicContact CD2-CB 4.21Å; F52-P235 HydrophobicContact CG-CB 3.66Å; L233-P235 WeakPolarHBondContact O-CD 3.14Å; L233-P235 VanDerWaalsContact O-N 3.11Å; P235-F256 HydrophobicContact CG-CD1 4.17Å; P235-F256 HydrophobicContact CG-CE1 3.49Å; P235-F256 VanDerWaalsContact CG-CE1 3.49Å; P235-F256 HydrophobicContact CG-CZ 3.69Å; P235-F272 WeakPolarHBondContact CD-O 3.35Å | ||
| 236 | S | 89.4 | Confident | 90.9 | Very high | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 143.1 | -175.8 | -72.3 | 0 | 0 | 0 | 0 | 111.7 | F256 R271 F272 | S236-F256 WeakPolarHBondContact OG-CE1 3.28Å; S236-F256 WeakPolarHBondContact OG-CZ 3.48Å; S236-R271 WeakPolarHBondContact O-CA 3.05Å; S236-F272 VanDerWaalsContact CB-CZ 3.46Å; S236-F272 PolarHBondContact N-O 3.48Å; S236-F272 PolarHBondContact O-N 2.68Å |
| 237 | Q | 90.3 | Very high | 91 | Very high | 57 Ų | 57 | 47.2 Ų | 47.2 | 27% | 0.266 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 148.3 | 170.4 | 70.6 | 179.8 | 14.2 | 0 | 0 | 111.8 | N49 L269 C270 R271 | N49-Q237 PolarHBondContact OD1-NE2 3.29Å; Q237-L269 HydrophobicContact CB-CD1 4.17Å; Q237-L269 HydrophobicContact CG-CD1 4.49Å; Q237-C270 CarbonylContact C-O 3.55Å; Q237-C270 WeakPolarHBondContact CA-O 3.21Å; Q237-R271 HydrophobicContact CB-CG 4.06Å |
| 238 | T | 92.7 | Very high | 91.2 | Very high | 59 Ų | 59 | 47.1 Ų | 47.1 | 36% | 0.362 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 161 | 176 | -170.9 | 0 | 0 | 0 | 0 | 110.4 | V240 A249 C270 F272 | T238-V240 HydrophobicContact CG2-CG1 3.9Å; T238-A249 HydrophobicContact CG2-CB 4.16Å; T238-C270 HydrophobicContact CG2-CB 4.11Å; T238-C270 PolarHBondContact N-O 2.9Å; T238-C270 WeakPolarHBondContact O-CA 3.39Å; T238-C270 WeakPolarHBondContact O-CB 3.15Å; T238-C270 PolarHBondContact O-N 2.81Å; T238-F272 HydrophobicContact CG2-CE1 3.94Å |
| 239 | K | 95 | Very high | 91.4 | Very high | 170 Ų | 170 | 48.3 Ų | 48.3 | 74% | 0.739 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 133.7 | 172.3 | -73.3 | -172.1 | 176 | -174.5 | 0 | 110.1 | G268 | K239-G268 CarbonylContact C-O 3.53Å; K239-G268 WeakPolarHBondContact CA-O 2.75Å |
| 240 | V | 97.1 | Very high | 91.7 | Very high | 28 Ų | 28 | 48.2 Ų | 48.2 | 17% | 0.17 | 25% | 0.247 | C | C | . | . | trans | -139.7 | 162.6 | 177.1 | -57.8 | 0 | 0 | 0 | 0 | 110.7 | T238 D242 A245 C246 F263 G268 C270 | T238-V240 HydrophobicContact CG2-CG1 3.9Å; V240-D242 WeakPolarHBondContact CG2-O 3.16Å; V240-A245 HydrophobicContact CB-CB 3.86Å; V240-A245 HydrophobicContact CG1-CB 4.35Å; V240-A245 HydrophobicContact CG2-CB 4.41Å; V240-C246 HydrophobicContact CG2-CB 3.87Å; V240-F263 HydrophobicContact CG2-CD2 3.59Å; V240-F263 HydrophobicContact CG2-CE2 3.48Å; V240-F263 VanDerWaalsContact CG2-CE2 3.48Å; V240-G268 PolarHBondContact N-O 3.04Å; V240-C270 HydrophobicContact CG1-CB 4.1Å; V240-C270 HydrophobicContact CG2-CB 3.67Å | ||
| 241 | T | 96.5 | Very high | 92 | Very high | 122 Ų | 122 | 49.5 Ų | 49.5 | 75% | 0.748 | 25% | 0.254 | S | S | * | . | S | Bend | trans | -76.7 | -35.4 | -178.2 | 51.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 242 | D | 97 | Very high | 92.4 | Very high | 68 Ų | 68 | 54.7 Ų | 54.7 | 36% | 0.364 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -155.9 | 175.3 | -171.9 | 64.8 | 56 | 0 | 0 | 0 | 112.2 | V240 K244 A245 C246 F263 | V240-D242 WeakPolarHBondContact CG2-O 3.16Å; D242-K244 VanDerWaalsContact C-N 3.34Å; D242-K244 PolarHBondContact O-N 2.93Å; D242-K244 WeakPolarHBondContact OD1-CA 2.9Å; D242-K244 VanDerWaalsContact OD1-CB 3.31Å; D242-K244 WeakPolarHBondContact OD1-CB 3.34Å; D242-K244 PolarHBondContact OD1-N 3.28Å; D242-A245 WeakPolarHBondContact O-CB 3.32Å; D242-A245 PolarHBondContact O-N 3.45Å; D242-A245 PolarHBondContact OD1-N 3.37Å; D242-C246 PolarHBondContact O-N 3.38Å; D242-F263 VanDerWaalsContact CA-CZ 3.46Å |
| 243 | Q | 95.8 | Very high | 93 | Very high | 59 Ų | 59 | 54.3 Ų | 54.3 | 28% | 0.276 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.3 | -31.4 | -178.7 | -168.8 | 161.8 | 38 | 0 | 0 | 114.4 | C246 K247 Y261 F263 R294 | Q243-C246 PolarHBondContact O-N 3.27Å; Q243-K247 PolarHBondContact O-N 2.73Å; Q243-Y261 HydrophobicContact CG-CE2 3.9Å; Q243-F263 HydrophobicContact CB-CD1 3.89Å; Q243-F263 HydrophobicContact CB-CG 4.41Å; Q243-F263 HydrophobicContact CG-CB 4.41Å; Q243-R294 VanDerWaalsContact CD-NH2 3.28Å; Q243-R294 VanDerWaalsContact NE2-NE 3.1Å; Q243-R294 VanDerWaalsContact NE2-NH1 3.1Å; Q243-R294 VanDerWaalsContact NE2-NH2 3.11Å |
| 244 | K | 95.7 | Very high | 93.4 | Very high | 167 Ų | 167 | 58 Ų | 58 | 73% | 0.726 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -69.6 | -39.5 | 176.6 | -64.6 | -179.6 | 179.7 | 177.9 | 0 | 109.9 | D242 C246 K247 R248 | D242-K244 VanDerWaalsContact C-N 3.34Å; D242-K244 PolarHBondContact O-N 2.93Å; D242-K244 WeakPolarHBondContact OD1-CA 2.9Å; D242-K244 VanDerWaalsContact OD1-CB 3.31Å; D242-K244 WeakPolarHBondContact OD1-CB 3.34Å; D242-K244 PolarHBondContact OD1-N 3.28Å; K244-C246 VanDerWaalsContact C-N 3.34Å; K244-K247 PolarHBondContact O-N 3.47Å; K244-R248 PolarHBondContact O-N 2.9Å |
| 245 | A | 96.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 60.9 Ų | 60.9 | 10% | 0.099 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -64.1 | -38.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V240 D242 R248 A249 | V240-A245 HydrophobicContact CB-CB 3.86Å; V240-A245 HydrophobicContact CG1-CB 4.35Å; V240-A245 HydrophobicContact CG2-CB 4.41Å; D242-A245 WeakPolarHBondContact O-CB 3.32Å; D242-A245 PolarHBondContact O-N 3.45Å; D242-A245 PolarHBondContact OD1-N 3.37Å; A245-R248 PolarHBondContact O-N 2.86Å; A245-A249 WeakPolarHBondContact O-CB 3.28Å; A245-A249 PolarHBondContact O-N 3.18Å |
| 246 | C | 97.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 173.2 | -169.8 | 0 | 0 | 0 | 0 | 112.5 | V240 D242 Q243 K244 R248 A249 C250 Y261 F263 C270 | V240-C246 HydrophobicContact CG2-CB 3.87Å; D242-C246 PolarHBondContact O-N 3.38Å; Q243-C246 PolarHBondContact O-N 3.27Å; K244-C246 VanDerWaalsContact C-N 3.34Å; C246-R248 VanDerWaalsContact C-N 3.3Å; C246-R248 PolarHBondContact O-N 3.41Å; C246-A249 PolarHBondContact O-N 2.71Å; C246-C250 PolarHBondContact O-N 3.41Å; C246-Y261 HydrophobicContact CB-CD2 4.05Å; C246-Y261 HydrophobicContact CB-CE2 4.4Å; C246-Y261 WeakPolarHBondContact SG-CD2 3.38Å; C246-F263 HydrophobicContact CB-CB 3.98Å; C246-F263 HydrophobicContact CB-CD2 4.19Å; C246-F263 HydrophobicContact CB-CG 4.31Å; C246-C270 WeakPolarHBondContact CA-SG 3.46Å; C246-C270 HydrophobicContact CB-CB 3.76Å; C246-C270 WeakPolarHBondContact CB-SG 3.49Å; C246-C270 WeakPolarHBondContact SG-CB 3.31Å; C246-C270 CovalentContact SG-SG 2.03Å; C246-C270 PolarHBondContact SG-SG 3.4Å |
| 247 | K | 96.2 | Very high | 94 | Very high | 44 Ų | 44 | 61.2 Ų | 61.2 | 19% | 0.191 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.1 | -46.9 | 173.5 | -177.1 | -170 | 178.5 | -175.8 | 0 | 111.1 | C221 V223 Q243 K244 C250 L251 Y261 | C221-K247 PolarHBondContact O-NZ 3.5Å; V223-K247 HydrophobicContact CG2-CD 4.06Å; Q243-K247 PolarHBondContact O-N 2.73Å; K244-K247 PolarHBondContact O-N 3.47Å; K247-C250 WeakPolarHBondContact O-CB 3.06Å; K247-C250 PolarHBondContact O-N 3.34Å; K247-L251 HydrophobicContact CD-CD1 4.49Å; K247-L251 HydrophobicContact CG-CD1 4.08Å; K247-L251 WeakPolarHBondContact O-CG 3.4Å; K247-L251 PolarHBondContact O-N 2.91Å; K247-Y261 HydrophobicContact CB-CE1 3.9Å; K247-Y261 HydrophobicContact CB-CE2 4.36Å; K247-Y261 HydrophobicContact CG-CE1 4Å |
| 248 | R | 95.4 | Very high | 94.1 | Very high | 128 Ų | 128 | 58.8 Ų | 58.8 | 48% | 0.483 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | -180 | -166.8 | -173.9 | -50.2 | 103.5 | 4.5 | 111.8 | K244 A245 C246 C250 L251 E252 | K244-R248 PolarHBondContact O-N 2.9Å; A245-R248 PolarHBondContact O-N 2.86Å; C246-R248 VanDerWaalsContact C-N 3.3Å; C246-R248 PolarHBondContact O-N 3.41Å; R248-C250 VanDerWaalsContact C-N 3.26Å; R248-C250 PolarHBondContact O-N 2.87Å; R248-L251 PolarHBondContact O-N 3.21Å; R248-L251 VanDerWaalsContact O-N 3.15Å; R248-E252 WeakPolarHBondContact CD-OE1 3.3Å; R248-E252 HydrophobicContact CG-CG 4.24Å; R248-E252 VanDerWaalsContact CG-OE1 3.28Å; R248-E252 WeakPolarHBondContact CG-OE1 3.14Å; R248-E252 WeakPolarHBondContact O-CB 3.33Å; R248-E252 WeakPolarHBondContact O-CG 3.21Å; R248-E252 PolarHBondContact O-N 3.23Å |
| 249 | A | 95.1 | Very high | 94.2 | Very high | 25 Ų | 25 | 56.5 Ų | 56.5 | 21% | 0.207 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -58.5 | -38.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | T238 A245 C246 N253 F272 | T238-A249 HydrophobicContact CG2-CB 4.16Å; A245-A249 WeakPolarHBondContact O-CB 3.28Å; A245-A249 PolarHBondContact O-N 3.18Å; C246-A249 PolarHBondContact O-N 2.71Å; A249-N253 PolarHBondContact O-N 2.96Å; A249-F272 HydrophobicContact CB-CE1 4.34Å |
| 250 | C | 95.1 | Very high | 94.2 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.007 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -51.5 | 172.7 | 170.5 | 0 | 0 | 0 | 0 | 111.8 | C246 K247 R248 E252 N253 C258 Y261 F272 I296 | C246-C250 PolarHBondContact O-N 3.41Å; K247-C250 WeakPolarHBondContact O-CB 3.06Å; K247-C250 PolarHBondContact O-N 3.34Å; R248-C250 VanDerWaalsContact C-N 3.26Å; R248-C250 PolarHBondContact O-N 2.87Å; C250-E252 VanDerWaalsContact C-N 3.32Å; C250-E252 PolarHBondContact O-N 3.06Å; C250-N253 VanDerWaalsContact O-CB 3.24Å; C250-N253 WeakPolarHBondContact O-CB 3.32Å; C250-N253 PolarHBondContact O-N 3.49Å; C250-C258 WeakPolarHBondContact CA-SG 3.23Å; C250-C258 HydrophobicContact CB-CB 4.06Å; C250-C258 WeakPolarHBondContact CB-SG 3.45Å; C250-C258 WeakPolarHBondContact O-CB 2.97Å; C250-C258 WeakPolarHBondContact SG-CB 3.49Å; C250-C258 CovalentContact SG-SG 2.02Å; C250-C258 PolarHBondContact SG-SG 3.09Å; C250-Y261 HydrophobicContact CB-CD1 4.42Å; C250-F272 HydrophobicContact CB-CB 3.86Å; C250-F272 HydrophobicContact CB-CD2 4.26Å; C250-F272 HydrophobicContact CB-CG 4.03Å; C250-I296 WeakPolarHBondContact SG-CD1 3.38Å |
| 251 | L | 93.4 | Very high | 94.2 | Very high | 27 Ų | 27 | 47.5 Ų | 47.5 | 14% | 0.141 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65.3 | -30.6 | -179.1 | -70 | 174.1 | 0 | 0 | 0 | 114.1 | K247 R248 N253 I296 | K247-L251 HydrophobicContact CD-CD1 4.49Å; K247-L251 HydrophobicContact CG-CD1 4.08Å; K247-L251 WeakPolarHBondContact O-CG 3.4Å; K247-L251 PolarHBondContact O-N 2.91Å; R248-L251 PolarHBondContact O-N 3.21Å; R248-L251 VanDerWaalsContact O-N 3.15Å; L251-N253 VanDerWaalsContact C-N 3.33Å; L251-I296 HydrophobicContact CD2-CD1 3.62Å; L251-I296 HydrophobicContact CD2-CG1 4.48Å; L251-I296 HydrophobicContact CD2-CG2 4.36Å; L251-I296 HydrophobicContact CG-CD1 4.19Å |
| 252 | E | 91.9 | Very high | 94.2 | Very high | 122 Ų | 122 | 43.5 Ų | 43.5 | 57% | 0.57 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -84.6 | -7.5 | 179.8 | -70.9 | 175 | 175.3 | 0 | 0 | 113.4 | R248 C250 N254 | R248-E252 WeakPolarHBondContact CD-OE1 3.3Å; R248-E252 HydrophobicContact CG-CG 4.24Å; R248-E252 VanDerWaalsContact CG-OE1 3.28Å; R248-E252 WeakPolarHBondContact CG-OE1 3.14Å; R248-E252 WeakPolarHBondContact O-CB 3.33Å; R248-E252 WeakPolarHBondContact O-CG 3.21Å; R248-E252 PolarHBondContact O-N 3.23Å; C250-E252 VanDerWaalsContact C-N 3.32Å; C250-E252 PolarHBondContact O-N 3.06Å; E252-N254 PolarHBondContact O-N 3.25Å |
| 253 | N | 90.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 41.9 Ų | 41.9 | 13% | 0.128 | 20% | 0.199 | C | C | . | . | trans | -57.8 | 132.6 | 179.9 | -178.4 | 65 | 0 | 0 | 0 | 111.8 | A249 C250 L251 K255 F256 F272 | A249-N253 PolarHBondContact O-N 2.96Å; C250-N253 VanDerWaalsContact O-CB 3.24Å; C250-N253 WeakPolarHBondContact O-CB 3.32Å; C250-N253 PolarHBondContact O-N 3.49Å; L251-N253 VanDerWaalsContact C-N 3.33Å; N253-K255 PolarHBondContact ND2-N 3.4Å; N253-F256 WeakPolarHBondContact ND2-CD1 3.48Å; N253-F256 VanDerWaalsContact ND2-CD2 3.31Å; N253-F256 WeakPolarHBondContact ND2-CD2 3.46Å; N253-F256 WeakPolarHBondContact ND2-CE1 3.33Å; N253-F256 VanDerWaalsContact ND2-CE2 3.33Å; N253-F256 WeakPolarHBondContact ND2-CE2 3.45Å; N253-F256 WeakPolarHBondContact ND2-CG 3.24Å; N253-F256 WeakPolarHBondContact ND2-CZ 3.43Å; N253-F256 PolarHBondContact ND2-N 3.17Å; N253-F256 PolarHBondContact ND2-O 3.12Å; N253-F272 HydrophobicContact CB-CE2 3.81Å | ||
| 254 | N | 89.1 | Confident | 94.1 | Very high | 78 Ų | 78 | 42 Ų | 42 | 42% | 0.417 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -109.7 | 6.8 | -177.4 | 68.9 | -3.1 | 0 | 0 | 0 | 113.8 | F132 E252 | F132-N254 WeakPolarHBondContact CD1-O 3.47Å; E252-N254 PolarHBondContact O-N 3.25Å |
| 255 | K | 89.8 | Confident | 94.1 | Very high | 70 Ų | 70 | 38.9 Ų | 38.9 | 30% | 0.304 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -100.1 | -20.2 | -177.8 | -60.5 | -54.6 | -178.3 | 179.8 | 0 | 113.9 | F132 M133 N253 | F132-K255 CarbonylContact C-O 3.54Å; F132-K255 VanDerWaalsContact CA-O 3.23Å; F132-K255 WeakPolarHBondContact CA-O 2.94Å; M133-K255 HydrophobicContact CG-CB 4.19Å; M133-K255 PolarHBondContact N-O 3.49Å; M133-K255 HydrophobicContact SD-CB 4.05Å; N253-K255 PolarHBondContact ND2-N 3.4Å |
| 256 | F | 91.2 | Very high | 94 | Very high | 3 Ų | 3 | 46 Ų | 46 | 1% | 0.013 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -166 | 161.2 | 176.6 | 50.8 | -97 | 0 | 0 | 0 | 108.5 | W134 P235 S236 N253 C258 F272 P274 | W134-F256 HydrophobicContact CH2-CB 3.73Å; W134-F256 HydrophobicContact CH2-CD1 4.37Å; W134-F256 HydrophobicContact CH2-CG 4.18Å; W134-F256 HydrophobicContact CZ2-CB 4.09Å; W134-F256 HydrophobicContact CZ3-CB 4.24Å; P235-F256 HydrophobicContact CG-CD1 4.17Å; P235-F256 HydrophobicContact CG-CE1 3.49Å; P235-F256 VanDerWaalsContact CG-CE1 3.49Å; P235-F256 HydrophobicContact CG-CZ 3.69Å; S236-F256 WeakPolarHBondContact OG-CE1 3.28Å; S236-F256 WeakPolarHBondContact OG-CZ 3.48Å; N253-F256 WeakPolarHBondContact ND2-CD1 3.48Å; N253-F256 VanDerWaalsContact ND2-CD2 3.31Å; N253-F256 WeakPolarHBondContact ND2-CD2 3.46Å; N253-F256 WeakPolarHBondContact ND2-CE1 3.33Å; N253-F256 VanDerWaalsContact ND2-CE2 3.33Å; N253-F256 WeakPolarHBondContact ND2-CE2 3.45Å; N253-F256 WeakPolarHBondContact ND2-CG 3.24Å; N253-F256 WeakPolarHBondContact ND2-CZ 3.43Å; N253-F256 PolarHBondContact ND2-N 3.17Å; N253-F256 PolarHBondContact ND2-O 3.12Å; F256-C258 HydrophobicContact CD2-CB 4.49Å; F256-C258 HydrophobicContact CE2-CB 4.18Å; F256-C258 PolarHBondContact O-N 3.45Å; F256-C258 VanDerWaalsContact O-N 3.13Å; F256-F272 HydrophobicContact CE2-CD2 4.12Å; F256-F272 HydrophobicContact CE2-CE2 4.46Å; F256-F272 AromaticContact CZ-CD2 3.92Å; F256-F272 HydrophobicContact CZ-CD2 3.92Å; F256-F272 AromaticContact CZ-CE2 3.99Å; F256-F272 HydrophobicContact CZ-CE2 3.99Å; F256-P274 HydrophobicContact CB-CB 4.37Å; F256-P274 HydrophobicContact CD2-CB 3.96Å; F256-P274 HydrophobicContact CD2-CG 4.37Å; F256-P274 HydrophobicContact CG-CB 4.37Å |
| 257 | L | 91.1 | Very high | 93.9 | Very high | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.11 | 25% | 0.252 | C | S | . | . | trans | -70.4 | 106.6 | 171.4 | 178.4 | 56.6 | 0 | 0 | 0 | 109.7 | F132 Y215 R259 P274 | F132-L257 HydrophobicContact CE2-CB 3.99Å; F132-L257 HydrophobicContact CZ-CB 4.44Å; Y215-L257 HydrophobicContact CD1-CD1 3.38Å; Y215-L257 HydrophobicContact CD2-CD1 3.69Å; Y215-L257 HydrophobicContact CD2-CD2 4Å; Y215-L257 HydrophobicContact CE1-CD1 3.4Å; Y215-L257 VanDerWaalsContact CE1-CD1 3.4Å; Y215-L257 HydrophobicContact CE2-CD1 3.72Å; Y215-L257 HydrophobicContact CE2-CD2 4.31Å; Y215-L257 HydrophobicContact CG-CD1 3.52Å; Y215-L257 HydrophobicContact CG-CD2 4.36Å; L257-R259 HydrophobicContact CG-CG 4.43Å; L257-R259 PolarHBondContact O-N 2.83Å; L257-P274 WeakPolarHBondContact O-CA 3.46Å | ||
| 258 | C | 93.7 | Very high | 93.8 | Very high | 7 Ų | 7 | 47.4 Ų | 47.4 | 5% | 0.047 | 25% | 0.251 | C | S | . | . | trans | -72 | 130.6 | 178.8 | -163.7 | 0 | 0 | 0 | 0 | 111 | C250 F256 S260 | C250-C258 WeakPolarHBondContact CA-SG 3.23Å; C250-C258 HydrophobicContact CB-CB 4.06Å; C250-C258 WeakPolarHBondContact CB-SG 3.45Å; C250-C258 WeakPolarHBondContact O-CB 2.97Å; C250-C258 WeakPolarHBondContact SG-CB 3.49Å; C250-C258 CovalentContact SG-SG 2.02Å; C250-C258 PolarHBondContact SG-SG 3.09Å; F256-C258 HydrophobicContact CD2-CB 4.49Å; F256-C258 HydrophobicContact CE2-CB 4.18Å; F256-C258 PolarHBondContact O-N 3.45Å; F256-C258 VanDerWaalsContact O-N 3.13Å; C258-S260 PolarHBondContact SG-O 3.21Å | ||
| 259 | R | 94.2 | Very high | 93.8 | Very high | 11 Ų | 11 | 43.7 Ų | 43.7 | 4% | 0.042 | 24% | 0.24 | C | C | . | . | trans | -125.2 | -16.5 | -177.1 | -74.4 | 153.2 | 172.3 | 176.2 | -0.1 | 112.7 | D137 R193 E210 L257 G273 P274 D276 I296 | D137-R259 IonicContact OD2-NH1 3.39Å; R193-R259 VanDerWaalsContact CZ-NE 3.25Å; R193-R259 VanDerWaalsContact NE-NE 3.18Å; R193-R259 VanDerWaalsContact NH2-CZ 3.33Å; E210-R259 IonicContact OE1-CZ 3.27Å; E210-R259 IonicContact OE1-NH1 2.91Å; E210-R259 IonicContact OE1-NH2 3.11Å; E210-R259 PolarHBondContact OE1-NH2 3.5Å; L257-R259 HydrophobicContact CG-CG 4.43Å; L257-R259 PolarHBondContact O-N 2.83Å; R259-G273 PolarHBondContact N-O 3.46Å; R259-P274 WeakPolarHBondContact CD-O 3.43Å; R259-P274 PolarHBondContact NH1-O 3.39Å; R259-D276 HydrophobicContact CB-CB 4.14Å; R259-I296 PolarHBondContact O-N 2.91Å | ||
| 260 | S | 96 | Very high | 93.8 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 157.7 | 175.1 | 64 | 0 | 0 | 0 | 0 | 113.1 | C258 F272 G273 D275 R294 | C258-S260 PolarHBondContact SG-O 3.21Å; S260-F272 VanDerWaalsContact O-CA 3.28Å; S260-F272 WeakPolarHBondContact O-CA 3.43Å; S260-F272 WeakPolarHBondContact O-CB 3.37Å; S260-G273 PolarHBondContact N-O 3.13Å; S260-G273 VanDerWaalsContact N-O 3.14Å; S260-G273 PolarHBondContact O-N 3.19Å; S260-D275 WeakPolarHBondContact CB-O 3.32Å; S260-D275 PolarHBondContact OG-O 3Å; S260-R294 CarbonylContact C-O 3.59Å; S260-R294 WeakPolarHBondContact CA-O 3.33Å |
| 261 | Y | 96.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 46.9 Ų | 46.9 | 2% | 0.024 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 157.9 | 172.2 | 66.6 | -86.9 | 0 | 0 | 0 | 112.3 | V223 Q243 C246 K247 C250 R271 R294 | V223-Y261 HydrophobicContact CG1-CE1 4.22Å; V223-Y261 HydrophobicContact CG2-CE1 4.48Å; Q243-Y261 HydrophobicContact CG-CE2 3.9Å; C246-Y261 HydrophobicContact CB-CD2 4.05Å; C246-Y261 HydrophobicContact CB-CE2 4.4Å; C246-Y261 WeakPolarHBondContact SG-CD2 3.38Å; K247-Y261 HydrophobicContact CB-CE1 3.9Å; K247-Y261 HydrophobicContact CB-CE2 4.36Å; K247-Y261 HydrophobicContact CG-CE1 4Å; C250-Y261 HydrophobicContact CB-CD1 4.42Å; Y261-R271 CarbonylContact C-O 3.57Å; Y261-R271 VanDerWaalsContact CA-O 3.23Å; Y261-R271 WeakPolarHBondContact CA-O 3.27Å; Y261-R294 HydrophobicContact CD1-CB 4.01Å; Y261-R294 HydrophobicContact CD2-CB 3.99Å; Y261-R294 HydrophobicContact CD2-CG 4.46Å; Y261-R294 HydrophobicContact CE1-CB 3.6Å; Y261-R294 HydrophobicContact CE2-CB 3.6Å; Y261-R294 HydrophobicContact CE2-CG 3.82Å; Y261-R294 HydrophobicContact CG-CB 4.19Å; Y261-R294 PolarHBondContact N-O 3.01Å; Y261-R294 WeakPolarHBondContact O-CB 3.44Å; Y261-R294 PolarHBondContact O-N 2.97Å |
| 262 | V | 95.5 | Very high | 93.7 | Very high | 39 Ų | 39 | 46.2 Ų | 46.2 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 131.5 | 172.9 | -178.9 | 0 | 0 | 0 | 0 | 107.3 | C270 R271 | V262-C270 CarbonylContact O-C 3.49Å; V262-C270 WeakPolarHBondContact O-CA 3.45Å; V262-R271 PolarHBondContact N-O 3.04Å; V262-R271 PolarHBondContact O-N 2.85Å |
| 263 | F | 95.9 | Very high | 93.7 | Very high | 34 Ų | 34 | 40.4 Ų | 40.4 | 15% | 0.149 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 122.5 | 175.6 | 174.9 | -115 | 0 | 0 | 0 | 108.9 | V240 D242 Q243 C246 P265 | V240-F263 HydrophobicContact CG2-CD2 3.59Å; V240-F263 HydrophobicContact CG2-CE2 3.48Å; V240-F263 VanDerWaalsContact CG2-CE2 3.48Å; D242-F263 VanDerWaalsContact CA-CZ 3.46Å; Q243-F263 HydrophobicContact CB-CD1 3.89Å; Q243-F263 HydrophobicContact CB-CG 4.41Å; Q243-F263 HydrophobicContact CG-CB 4.41Å; C246-F263 HydrophobicContact CB-CB 3.98Å; C246-F263 HydrophobicContact CB-CD2 4.19Å; C246-F263 HydrophobicContact CB-CG 4.31Å; F263-P265 HydrophobicContact CE1-CB 3.89Å; F263-P265 HydrophobicContact CZ-CB 4.47Å; F263-P265 WeakPolarHBondContact O-CD 3.47Å |
| 264 | D | 95 | Very high | 93.8 | Very high | 62 Ų | 62 | 39.3 Ų | 39.3 | 33% | 0.332 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 110.9 | 169.1 | 174.4 | 12.9 | 0 | 0 | 0 | 109.4 | I266 S267 G268 L269 | D264-I266 PolarHBondContact O-N 3Å; D264-I266 PolarHBondContact OD1-N 3.3Å; D264-S267 VanDerWaalsContact CG-OG 3.23Å; D264-S267 VanDerWaalsContact OD2-CB 3.24Å; D264-S267 WeakPolarHBondContact OD2-CB 3.3Å; D264-S267 PolarHBondContact OD2-N 2.97Å; D264-S267 PolarHBondContact OD2-OG 3.18Å; D264-G268 CarbonylContact O-C 3.5Å; D264-G268 VanDerWaalsContact O-CA 3.27Å; D264-G268 WeakPolarHBondContact O-CA 3.48Å; D264-G268 PolarHBondContact O-N 2.68Å; D264-L269 PolarHBondContact N-O 3.31Å; D264-L269 PolarHBondContact O-N 3.46Å |
| 265 | P | 95.3 | Very high | 93.9 | Very high | 100 Ų | 100 | 35.8 Ų | 35.8 | 65% | 0.649 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -22.9 | -179 | 28.1 | -34.7 | 0 | 0 | 0 | 113.6 | F263 | F263-P265 HydrophobicContact CE1-CB 3.89Å; F263-P265 HydrophobicContact CZ-CB 4.47Å; F263-P265 WeakPolarHBondContact O-CD 3.47Å |
| 266 | I | 94.9 | Very high | 94.1 | Very high | 163 Ų | 163 | 32.5 Ų | 32.5 | 84% | 0.836 | 18% | 0.177 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.4 | -48.9 | -177 | -59.5 | 175.8 | 0 | 0 | 0 | 110.1 | D264 | D264-I266 PolarHBondContact O-N 3Å; D264-I266 PolarHBondContact OD1-N 3.3Å |
| 267 | S | 95 | Very high | 94.1 | Very high | 57 Ų | 57 | 34.5 Ų | 34.5 | 40% | 0.399 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -12.4 | 179.6 | 66.7 | 0 | 0 | 0 | 0 | 114 | D264 L269 | D264-S267 VanDerWaalsContact CG-OG 3.23Å; D264-S267 VanDerWaalsContact OD2-CB 3.24Å; D264-S267 WeakPolarHBondContact OD2-CB 3.3Å; D264-S267 PolarHBondContact OD2-N 2.97Å; D264-S267 PolarHBondContact OD2-OG 3.18Å; S267-L269 PolarHBondContact O-N 3.18Å; S267-L269 WeakPolarHBondContact OG-CB 2.92Å; S267-L269 PolarHBondContact OG-N 2.9Å |
| 268 | G | 95.6 | Very high | 94.1 | Very high | 15 Ų | 15 | 37 Ų | 37 | 16% | 0.155 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | 12.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | K239 V240 D264 C270 | K239-G268 CarbonylContact C-O 3.53Å; K239-G268 WeakPolarHBondContact CA-O 2.75Å; V240-G268 PolarHBondContact N-O 3.04Å; D264-G268 CarbonylContact O-C 3.5Å; D264-G268 VanDerWaalsContact O-CA 3.27Å; D264-G268 WeakPolarHBondContact O-CA 3.48Å; D264-G268 PolarHBondContact O-N 2.68Å; G268-C270 PolarHBondContact O-N 3.43Å |
| 269 | L | 94.2 | Very high | 93.9 | Very high | 50 Ų | 50 | 36.7 Ų | 36.7 | 26% | 0.262 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 122.7 | -175.6 | -171.5 | 66.9 | 0 | 0 | 0 | 110.6 | Q237 D264 S267 R271 | Q237-L269 HydrophobicContact CB-CD1 4.17Å; Q237-L269 HydrophobicContact CG-CD1 4.49Å; D264-L269 PolarHBondContact N-O 3.31Å; D264-L269 PolarHBondContact O-N 3.46Å; S267-L269 PolarHBondContact O-N 3.18Å; S267-L269 WeakPolarHBondContact OG-CB 2.92Å; S267-L269 PolarHBondContact OG-N 2.9Å; L269-R271 HydrophobicContact CD2-CG 4.29Å; L269-R271 HydrophobicContact CG-CG 4.28Å |
| 270 | C | 94.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.4 | 171.2 | 176.2 | 0 | 0 | 0 | 0 | 109.4 | Q237 T238 V240 C246 V262 G268 | Q237-C270 CarbonylContact C-O 3.55Å; Q237-C270 WeakPolarHBondContact CA-O 3.21Å; T238-C270 HydrophobicContact CG2-CB 4.11Å; T238-C270 PolarHBondContact N-O 2.9Å; T238-C270 WeakPolarHBondContact O-CA 3.39Å; T238-C270 WeakPolarHBondContact O-CB 3.15Å; T238-C270 PolarHBondContact O-N 2.81Å; V240-C270 HydrophobicContact CG1-CB 4.1Å; V240-C270 HydrophobicContact CG2-CB 3.67Å; C246-C270 WeakPolarHBondContact CA-SG 3.46Å; C246-C270 HydrophobicContact CB-CB 3.76Å; C246-C270 WeakPolarHBondContact CB-SG 3.49Å; C246-C270 WeakPolarHBondContact SG-CB 3.31Å; C246-C270 CovalentContact SG-SG 2.03Å; C246-C270 PolarHBondContact SG-SG 3.4Å; V262-C270 CarbonylContact O-C 3.49Å; V262-C270 WeakPolarHBondContact O-CA 3.45Å; G268-C270 PolarHBondContact O-N 3.43Å |
| 271 | R | 93 | Very high | 93.2 | Very high | 93 Ų | 93 | 42.1 Ų | 42.1 | 35% | 0.351 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 135.8 | 172.6 | -65.5 | 174.1 | 62.2 | 128.8 | -0.8 | 109 | S231 A234 S236 Q237 Y261 V262 L269 | S231-R271 PolarHBondContact O-NH2 2.85Å; A234-R271 HydrophobicContact CB-CB 4.13Å; S236-R271 WeakPolarHBondContact O-CA 3.05Å; Q237-R271 HydrophobicContact CB-CG 4.06Å; Y261-R271 CarbonylContact C-O 3.57Å; Y261-R271 VanDerWaalsContact CA-O 3.23Å; Y261-R271 WeakPolarHBondContact CA-O 3.27Å; V262-R271 PolarHBondContact N-O 3.04Å; V262-R271 PolarHBondContact O-N 2.85Å; L269-R271 HydrophobicContact CD2-CG 4.29Å; L269-R271 HydrophobicContact CG-CG 4.28Å |
| 272 | F | 94.3 | Very high | 92.7 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 6% | 0.061 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 155.2 | -176.8 | 61.4 | -95 | 0 | 0 | 0 | 112.7 | P235 S236 T238 A249 C250 N253 F256 S260 | P235-F272 WeakPolarHBondContact CD-O 3.35Å; S236-F272 VanDerWaalsContact CB-CZ 3.46Å; S236-F272 PolarHBondContact N-O 3.48Å; S236-F272 PolarHBondContact O-N 2.68Å; T238-F272 HydrophobicContact CG2-CE1 3.94Å; A249-F272 HydrophobicContact CB-CE1 4.34Å; C250-F272 HydrophobicContact CB-CB 3.86Å; C250-F272 HydrophobicContact CB-CD2 4.26Å; C250-F272 HydrophobicContact CB-CG 4.03Å; N253-F272 HydrophobicContact CB-CE2 3.81Å; F256-F272 HydrophobicContact CE2-CD2 4.12Å; F256-F272 HydrophobicContact CE2-CE2 4.46Å; F256-F272 AromaticContact CZ-CD2 3.92Å; F256-F272 HydrophobicContact CZ-CD2 3.92Å; F256-F272 AromaticContact CZ-CE2 3.99Å; F256-F272 HydrophobicContact CZ-CE2 3.99Å; S260-F272 VanDerWaalsContact O-CA 3.28Å; S260-F272 WeakPolarHBondContact O-CA 3.43Å; S260-F272 WeakPolarHBondContact O-CB 3.37Å |
| 273 | G | 92.5 | Very high | 92.4 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.6 | 175.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | R259 S260 D275 | R259-G273 PolarHBondContact N-O 3.46Å; S260-G273 PolarHBondContact N-O 3.13Å; S260-G273 VanDerWaalsContact N-O 3.14Å; S260-G273 PolarHBondContact O-N 3.19Å; G273-D275 VanDerWaalsContact C-N 3.26Å; G273-D275 PolarHBondContact O-N 2.81Å |
| 274 | P | 92.3 | Very high | 92 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -84 | 1.9 | -179.8 | 39.8 | -42.1 | 0 | 0 | 0 | 113.6 | W134 F256 L257 R259 | W134-P274 HydrophobicContact CH2-CB 4.21Å; W134-P274 HydrophobicContact CH2-CG 3.73Å; W134-P274 HydrophobicContact CZ2-CB 3.83Å; W134-P274 HydrophobicContact CZ2-CG 3.67Å; F256-P274 HydrophobicContact CB-CB 4.37Å; F256-P274 HydrophobicContact CD2-CB 3.96Å; F256-P274 HydrophobicContact CD2-CG 4.37Å; F256-P274 HydrophobicContact CG-CB 4.37Å; L257-P274 WeakPolarHBondContact O-CA 3.46Å; R259-P274 WeakPolarHBondContact CD-O 3.43Å; R259-P274 PolarHBondContact NH1-O 3.39Å |
| 275 | D | 91.9 | Very high | 91.8 | Very high | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.016 | 26% | 0.264 | C | S | . | . | trans | -104.2 | 148.1 | -171.1 | -54.3 | -54.8 | 0 | 0 | 0 | 111.2 | R25 A230 L233 S260 G273 I279 | R25-D275 IonicContact CZ-OD1 2.77Å; R25-D275 IonicContact NH1-OD1 2.71Å; R25-D275 PolarHBondContact NH1-OD1 3.49Å; R25-D275 IonicContact NH1-OD2 2.79Å; R25-D275 IonicContact NH2-OD1 3.29Å; R25-D275 PolarHBondContact NH2-OD1 3.21Å; A230-D275 HydrophobicContact CB-CB 4.32Å; A230-D275 WeakPolarHBondContact CB-O 3.28Å; L233-D275 HydrophobicContact CB-CB 4.1Å; L233-D275 WeakPolarHBondContact CB-OD2 3.34Å; L233-D275 HydrophobicContact CD1-CB 3.73Å; S260-D275 WeakPolarHBondContact CB-O 3.32Å; S260-D275 PolarHBondContact OG-O 3Å; G273-D275 VanDerWaalsContact C-N 3.26Å; G273-D275 PolarHBondContact O-N 2.81Å; D275-I279 HydrophobicContact CB-CB 4.09Å; D275-I279 HydrophobicContact CB-CG1 4.15Å; D275-I279 HydrophobicContact CB-CG2 4.07Å | ||
| 276 | D | 93 | Very high | 91.5 | Very high | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.011 | 24% | 0.241 | C | C | . | . | trans | -153 | -166.2 | -171.9 | 59.2 | 13.9 | 0 | 0 | 0 | 109.9 | R193 R259 Y278 I279 T280 Q295 | R193-D276 IonicContact CZ-OD1 3.52Å; R193-D276 IonicContact CZ-OD2 3.43Å; R193-D276 IonicContact NE-OD2 2.91Å; R193-D276 PolarHBondContact NE-OD2 3.01Å; R193-D276 VanDerWaalsContact NH2-CG 3.33Å; R193-D276 IonicContact NH2-OD1 3.26Å; R193-D276 PolarHBondContact NH2-OD1 3.41Å; R193-D276 IonicContact NH2-OD2 3.65Å; R193-D276 PolarHBondContact NH2-OD2 3.26Å; R259-D276 HydrophobicContact CB-CB 4.14Å; D276-Y278 PolarHBondContact O-N 2.58Å; D276-Y278 WeakPolarHBondContact OD1-CB 3.18Å; D276-Y278 PolarHBondContact OD1-N 2.99Å; D276-Y278 VanDerWaalsContact OD1-N 3.09Å; D276-I279 PolarHBondContact O-N 3.43Å; D276-I279 PolarHBondContact OD1-N 3.01Å; D276-T280 PolarHBondContact O-N 3.26Å; D276-T280 PolarHBondContact O-OG1 3Å; D276-Q295 HydrophobicContact CB-CG 4.06Å | ||
| 277 | T | 92.2 | Very high | 91.3 | Very high | 44 Ų | 44 | 37.4 Ų | 37.4 | 27% | 0.27 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -60.6 | -35.5 | 180 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | Q226 I279 T280 V281 Y293 Q295 | Q226-T277 PolarHBondContact OE1-OG1 3.44Å; T277-I279 VanDerWaalsContact C-N 3.33Å; T277-I279 PolarHBondContact O-N 3.11Å; T277-T280 WeakPolarHBondContact O-CB 3.42Å; T277-T280 PolarHBondContact O-N 2.97Å; T277-V281 WeakPolarHBondContact O-CG2 3.33Å; T277-V281 PolarHBondContact O-N 2.83Å; T277-Y293 WeakPolarHBondContact CA-OH 3.39Å; T277-Y293 PolarHBondContact N-OH 3.18Å; T277-Y293 PolarHBondContact OG1-OH 2.87Å; T277-Q295 VanDerWaalsContact CB-OE1 3.31Å; T277-Q295 PolarHBondContact OG1-OE1 3.2Å |
| 278 | Y | 89.9 | Confident | 90.8 | Very high | 74 Ų | 74 | 35.4 Ų | 35.4 | 29% | 0.29 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.9 | -34.9 | 178.7 | -61 | -81.1 | 0 | 0 | 0 | 112.4 | R192 R193 P196 D276 | R192-Y278 HydrophobicContact CG-CD1 4.5Å; R192-Y278 HydrophobicContact CG-CG 4.43Å; R192-Y278 WeakPolarHBondContact O-CE1 3.47Å; R193-Y278 HydrophobicContact CG-CD2 3.81Å; R193-Y278 HydrophobicContact CG-CE2 3.82Å; R193-Y278 HydrophobicContact CG-CG 4.48Å; P196-Y278 HydrophobicContact CB-CE1 3.58Å; P196-Y278 WeakPolarHBondContact CB-OH 3.45Å; D276-Y278 PolarHBondContact O-N 2.58Å; D276-Y278 WeakPolarHBondContact OD1-CB 3.18Å; D276-Y278 PolarHBondContact OD1-N 2.99Å; D276-Y278 VanDerWaalsContact OD1-N 3.09Å |
| 279 | I | 89.4 | Confident | 90.4 | Very high | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -71.2 | -41.4 | 172.2 | -59.6 | -58.8 | 0 | 0 | 0 | 111.1 | I27 R192 L233 D275 D276 T277 V281 L282 L283 | I27-I279 HydrophobicContact CD1-CD1 3.53Å; I27-I279 HydrophobicContact CG1-CD1 4.45Å; I27-I279 HydrophobicContact CG2-CG2 4.11Å; R192-I279 VanDerWaalsContact NH1-CD1 3.27Å; L233-I279 HydrophobicContact CD1-CG2 4.05Å; D275-I279 HydrophobicContact CB-CB 4.09Å; D275-I279 HydrophobicContact CB-CG1 4.15Å; D275-I279 HydrophobicContact CB-CG2 4.07Å; D276-I279 PolarHBondContact O-N 3.43Å; D276-I279 PolarHBondContact OD1-N 3.01Å; T277-I279 VanDerWaalsContact C-N 3.33Å; T277-I279 PolarHBondContact O-N 3.11Å; I279-V281 VanDerWaalsContact C-N 3.26Å; I279-V281 PolarHBondContact O-N 2.9Å; I279-L282 WeakPolarHBondContact O-CB 3.37Å; I279-L282 PolarHBondContact O-N 3.03Å; I279-L283 HydrophobicContact CG2-CD1 4.11Å; I279-L283 PolarHBondContact O-N 3.23Å |
| 280 | T | 88.2 | Confident | 90.2 | Very high | 21 Ų | 21 | 47.6 Ų | 47.6 | 13% | 0.129 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.9 | -40.3 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | I229 D276 T277 L282 L283 | I229-T280 HydrophobicContact CG1-CG2 4.21Å; D276-T280 PolarHBondContact O-N 3.26Å; D276-T280 PolarHBondContact O-OG1 3Å; T277-T280 WeakPolarHBondContact O-CB 3.42Å; T277-T280 PolarHBondContact O-N 2.97Å; T280-L282 PolarHBondContact O-N 3.48Å; T280-L283 CarbonylContact O-C 3.54Å; T280-L283 PolarHBondContact O-N 3.22Å |
| 281 | V | 87.2 | Confident | 90 | Very high | 107 Ų | 107 | 49.5 Ų | 49.5 | 65% | 0.648 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -62.9 | -28.7 | 176.6 | 171.7 | 0 | 0 | 0 | 0 | 112.9 | T277 I279 L283 | T277-V281 WeakPolarHBondContact O-CG2 3.33Å; T277-V281 PolarHBondContact O-N 2.83Å; I279-V281 VanDerWaalsContact C-N 3.26Å; I279-V281 PolarHBondContact O-N 2.9Å; V281-L283 PolarHBondContact O-N 3.28Å |
| 282 | L | 87.4 | Confident | 90.1 | Very high | 33 Ų | 33 | 48.5 Ų | 48.5 | 17% | 0.173 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -7.5 | 175.9 | -60.5 | 174.5 | 0 | 0 | 0 | 112.9 | I27 H99 V139 I279 T280 P284 | I27-L282 HydrophobicContact CD1-CD1 4.43Å; I27-L282 HydrophobicContact CG2-CB 4.21Å; H99-L282 PolarHBondContact CE1-O 2.86Å; H99-L282 PolarHBondContact ND1-O 2.91Å; V139-L282 HydrophobicContact CG1-CD1 3.92Å; V139-L282 HydrophobicContact CG1-CD2 3.96Å; V139-L282 HydrophobicContact CG2-CD1 4.07Å; I279-L282 WeakPolarHBondContact O-CB 3.37Å; I279-L282 PolarHBondContact O-N 3.03Å; T280-L282 PolarHBondContact O-N 3.48Å; L282-P284 WeakPolarHBondContact O-CD 3.36Å |
| 283 | L | 89.2 | Confident | 90.1 | Very high | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 27% | 0.266 | C | S | . | . | trans | -122.4 | 51.4 | -176.4 | -60.1 | 177.9 | 0 | 0 | 0 | 112.3 | I27 H99 I229 L233 I279 T280 V281 S285 S286 | I27-L283 HydrophobicContact CG2-CD1 4.08Å; I27-L283 HydrophobicContact CG2-CD2 3.78Å; I27-L283 HydrophobicContact CG2-CG 3.91Å; H99-L283 HydrophobicContact CB-CD2 4.15Å; H99-L283 WeakPolarHBondContact ND1-CA 3.31Å; I229-L283 HydrophobicContact CD1-CB 3.88Å; I229-L283 HydrophobicContact CD1-CD1 3.75Å; I229-L283 HydrophobicContact CD1-CG 4.47Å; L233-L283 HydrophobicContact CD1-CD1 4.19Å; I279-L283 HydrophobicContact CG2-CD1 4.11Å; I279-L283 PolarHBondContact O-N 3.23Å; T280-L283 CarbonylContact O-C 3.54Å; T280-L283 PolarHBondContact O-N 3.22Å; V281-L283 PolarHBondContact O-N 3.28Å; L283-S285 PolarHBondContact O-N 2.72Å; L283-S286 PolarHBondContact O-N 3.32Å | ||
| 284 | P | 87.6 | Confident | 90.3 | Very high | 98 Ų | 98 | 51.7 Ų | 51.7 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -29.7 | -172.3 | 26.8 | -37 | 0 | 0 | 0 | 113.7 | L282 | L282-P284 WeakPolarHBondContact O-CD 3.36Š|
| 285 | S | 90.7 | Very high | 90.5 | Very high | 89 Ų | 89 | 52.1 Ų | 52.1 | 62% | 0.622 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | 19.8 | -177.3 | -48.3 | 0 | 0 | 0 | 0 | 113.2 | L283 | L283-S285 PolarHBondContact O-N 2.72Š|
| 286 | S | 88.5 | Confident | 90.6 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 17% | 0.168 | 28% | 0.284 | C | S | . | . | trans | -67.3 | 138.2 | 176.1 | -178.2 | 0 | 0 | 0 | 0 | 111 | H99 D100 L283 A288 | H99-S286 WeakPolarHBondContact O-CB 3.23Å; H99-S286 PolarHBondContact O-OG 3.35Å; D100-S286 WeakPolarHBondContact OD1-CA 3.29Å; D100-S286 WeakPolarHBondContact OD1-CB 3.45Å; D100-S286 PolarHBondContact OD1-OG 3.43Å; L283-S286 PolarHBondContact O-N 3.32Å; S286-A288 WeakPolarHBondContact OG-CB 3.21Å; S286-A288 PolarHBondContact OG-N 2.59Å; S286-A288 VanDerWaalsContact OG-N 3.13Å | ||
| 287 | S | 89.9 | Confident | 90.5 | Very high | 56 Ų | 56 | 54.9 Ų | 54.9 | 39% | 0.392 | 30% | 0.296 | S | S | . | . | trans | -80 | -3 | 170.9 | 66.1 | 0 | 0 | 0 | 0 | 113.3 | Q73 D100 | Q73-S287 PolarHBondContact OE1-OG 2.8Å; Q73-S287 VanDerWaalsContact OE1-OG 3.09Å; D100-S287 PolarHBondContact OD1-N 3.09Å; D100-S287 PolarHBondContact OD1-OG 3.1Å; D100-S287 VanDerWaalsContact OD2-CB 3.23Å; D100-S287 WeakPolarHBondContact OD2-CB 3.37Å; D100-S287 PolarHBondContact OD2-N 2.85Å; D100-S287 PolarHBondContact OD2-OG 3.38Å | ||
| 288 | A | 86 | Confident | 90.3 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | S | Bend | trans | -62.9 | 137.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | I229 A232 S286 M290 | I229-A288 HydrophobicContact CB-CB 4Å; I229-A288 HydrophobicContact CG2-CB 3.82Å; I229-A288 WeakPolarHBondContact CG2-O 3.31Å; A232-A288 HydrophobicContact CB-CB 4.14Å; S286-A288 WeakPolarHBondContact OG-CB 3.21Å; S286-A288 PolarHBondContact OG-N 2.59Å; S286-A288 VanDerWaalsContact OG-N 3.13Å; A288-M290 PolarHBondContact O-N 3.19Å |
| 289 | R | 86.4 | Confident | 90.3 | Very high | 208 Ų | 208 | 49.9 Ų | 49.9 | 79% | 0.785 | 27% | 0.272 | S | S | * | . | P | Polyproline II helix | trans | -66.3 | 124.7 | 178.1 | -176.2 | -176.1 | -63.4 | -96.9 | -0.9 | 110 | T291 | R289-T291 HydrophobicContact CG-CG2 4.19Å; R289-T291 PolarHBondContact O-N 2.71Å |
| 290 | M | 89.1 | Confident | 90.2 | Very high | 112 Ų | 112 | 50 Ų | 50 | 55% | 0.552 | 27% | 0.273 | S | S | * | . | P | Polyproline II helix | trans | -72.2 | 125.8 | 171 | -63.3 | -176.7 | 177 | 0 | 0 | 110.5 | H227 G228 I229 A288 | H227-M290 VanDerWaalsContact NE2-C 3.26Å; H227-M290 WeakPolarHBondContact NE2-CB 3.41Å; H227-M290 PolarHBondContact NE2-O 3.13Å; G228-M290 CarbonylContact O-C 3.52Å; G228-M290 VanDerWaalsContact O-CA 3.28Å; G228-M290 WeakPolarHBondContact O-CA 3.42Å; I229-M290 HydrophobicContact CG2-CG 3.9Å; A288-M290 PolarHBondContact O-N 3.19Å |
| 291 | T | 91.1 | Very high | 90.2 | Very high | 40 Ų | 40 | 50.1 Ų | 50.1 | 25% | 0.245 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 159.8 | 175.4 | 77.2 | 0 | 0 | 0 | 0 | 110.6 | H227 G228 S231 R289 | H227-T291 PolarHBondContact CD2-N 3.28Å; H227-T291 PolarHBondContact CD2-O 3.43Å; G228-T291 PolarHBondContact N-O 3.26Å; G228-T291 PolarHBondContact O-N 2.75Å; G228-T291 VanDerWaalsContact O-O 3.09Å; S231-T291 WeakPolarHBondContact CB-OG1 3.2Å; S231-T291 PolarHBondContact OG-OG1 2.73Å; R289-T291 HydrophobicContact CG-CG2 4.19Å; R289-T291 PolarHBondContact O-N 2.71Å |
| 292 | P | 94.4 | Very high | 90.3 | Very high | 72 Ų | 72 | 47.7 Ų | 47.7 | 47% | 0.468 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.9 | 143.1 | 169.3 | 25.5 | -34.3 | 0 | 0 | 0 | 110.8 | Q226 | Q226-P292 CarbonylContact O-C 3.28Å; Q226-P292 VanDerWaalsContact O-CA 3.31Å; Q226-P292 WeakPolarHBondContact O-CA 3.16Å |
| 293 | Y | 95.2 | Very high | 90.5 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 2% | 0.02 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 162.4 | 172.4 | 68 | -87.3 | 0 | 0 | 0 | 110.7 | E225 Q226 A230 T277 Q295 | E225-Y293 WeakPolarHBondContact CA-O 3.44Å; Q226-Y293 HydrophobicContact CB-CD1 4.33Å; Q226-Y293 HydrophobicContact CB-CD2 4.38Å; Q226-Y293 HydrophobicContact CB-CE1 3.74Å; Q226-Y293 HydrophobicContact CB-CE2 3.84Å; Q226-Y293 VanDerWaalsContact CB-CZ 3.47Å; Q226-Y293 HydrophobicContact CG-CE2 4.37Å; Q226-Y293 PolarHBondContact N-O 2.76Å; Q226-Y293 PolarHBondContact O-N 2.82Å; A230-Y293 HydrophobicContact CB-CD1 4.09Å; A230-Y293 HydrophobicContact CB-CD2 4.03Å; A230-Y293 HydrophobicContact CB-CE1 3.95Å; A230-Y293 HydrophobicContact CB-CE2 3.85Å; A230-Y293 HydrophobicContact CB-CG 4.13Å; T277-Y293 WeakPolarHBondContact CA-OH 3.39Å; T277-Y293 PolarHBondContact N-OH 3.18Å; T277-Y293 PolarHBondContact OG1-OH 2.87Å; Y293-Q295 HydrophobicContact CD2-CB 4.38Å; Y293-Q295 HydrophobicContact CE2-CB 3.88Å; Y293-Q295 HydrophobicContact CE2-CG 4.39Å; Y293-Q295 PolarHBondContact OH-OE1 2.77Å |
| 294 | R | 97.2 | Very high | 90.5 | Very high | 76 Ų | 76 | 51.6 Ų | 51.6 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 120.9 | 175.6 | -70.6 | -97 | 177.8 | 116.2 | 2.5 | 108.8 | V223 S224 Q243 S260 Y261 | V223-R294 HydrophobicContact CG1-CB 3.75Å; V223-R294 VanDerWaalsContact CG1-CD 3.47Å; V223-R294 HydrophobicContact CG1-CG 4.23Å; S224-R294 WeakPolarHBondContact O-CA 3.48Å; Q243-R294 VanDerWaalsContact CD-NH2 3.28Å; Q243-R294 VanDerWaalsContact NE2-NE 3.1Å; Q243-R294 VanDerWaalsContact NE2-NH1 3.1Å; Q243-R294 VanDerWaalsContact NE2-NH2 3.11Å; S260-R294 CarbonylContact C-O 3.59Å; S260-R294 WeakPolarHBondContact CA-O 3.33Å; Y261-R294 HydrophobicContact CD1-CB 4.01Å; Y261-R294 HydrophobicContact CD2-CB 3.99Å; Y261-R294 HydrophobicContact CD2-CG 4.46Å; Y261-R294 HydrophobicContact CE1-CB 3.6Å; Y261-R294 HydrophobicContact CE2-CB 3.6Å; Y261-R294 HydrophobicContact CE2-CG 3.82Å; Y261-R294 HydrophobicContact CG-CB 4.19Å; Y261-R294 PolarHBondContact N-O 3.01Å; Y261-R294 WeakPolarHBondContact O-CB 3.44Å; Y261-R294 PolarHBondContact O-N 2.97Å |
| 295 | Q | 95.9 | Very high | 90.8 | Very high | 11 Ų | 11 | 51.7 Ų | 51.7 | 5% | 0.051 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.6 | 178.3 | -172.5 | 172.7 | -77.4 | 0 | 0 | 110.6 | V223 S224 Q226 D276 T277 Y293 N297 | V223-Q295 VanDerWaalsContact CA-O 3.24Å; V223-Q295 WeakPolarHBondContact CA-O 3.39Å; V223-Q295 WeakPolarHBondContact CG1-O 3.46Å; S224-Q295 PolarHBondContact N-O 2.74Å; S224-Q295 VanDerWaalsContact N-O 3.12Å; S224-Q295 PolarHBondContact O-N 2.88Å; Q226-Q295 HydrophobicContact CG-CB 3.75Å; D276-Q295 HydrophobicContact CB-CG 4.06Å; T277-Q295 VanDerWaalsContact CB-OE1 3.31Å; T277-Q295 PolarHBondContact OG1-OE1 3.2Å; Y293-Q295 HydrophobicContact CD2-CB 4.38Å; Y293-Q295 HydrophobicContact CE2-CB 3.88Å; Y293-Q295 HydrophobicContact CE2-CG 4.39Å; Y293-Q295 PolarHBondContact OH-OE1 2.77Å; Q295-N297 PolarHBondContact NE2-OD1 3.43Å |
| 296 | I | 94.2 | Very high | 90.7 | Very high | 12 Ų | 12 | 50.1 Ų | 50.1 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.5 | 169.4 | -63.8 | 166.5 | 0 | 0 | 0 | 107.8 | C221 C250 L251 R259 | C221-I296 HydrophobicContact CB-CG2 3.79Å; C250-I296 WeakPolarHBondContact SG-CD1 3.38Å; L251-I296 HydrophobicContact CD2-CD1 3.62Å; L251-I296 HydrophobicContact CD2-CG1 4.48Å; L251-I296 HydrophobicContact CD2-CG2 4.36Å; L251-I296 HydrophobicContact CG-CD1 4.19Å; R259-I296 PolarHBondContact O-N 2.91Å |
| 297 | N | 90.4 | Very high | 90.7 | Very high | 50 Ų | 50 | 53.2 Ų | 53.2 | 27% | 0.267 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | -120.7 | -178.2 | -61.1 | -44.3 | 0 | 0 | 0 | 110.3 | D222 S224 Q295 C299 N318 | D222-N297 HydrophobicContact CB-CB 4.29Å; D222-N297 PolarHBondContact O-N 3.01Å; S224-N297 VanDerWaalsContact CB-ND2 3.3Å; S224-N297 WeakPolarHBondContact CB-ND2 3.5Å; S224-N297 PolarHBondContact N-ND2 3.09Å; S224-N297 PolarHBondContact OG-ND2 3.2Å; Q295-N297 PolarHBondContact NE2-OD1 3.43Å; N297-C299 PolarHBondContact O-N 3.09Å; N297-N318 PolarHBondContact O-ND2 3.44Å |
| 298 | E | 87.9 | Confident | 90.4 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 7% | 0.065 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 121.3 | -179.9 | -174.8 | 164.6 | 179.5 | 0 | 0 | 111.2 | D222 S317 N318 N319 Y374 R384 | D222-E298 PolarHBondContact N-O 2.76Å; E298-S317 PolarHBondContact OE1-OG 2.79Å; E298-N318 WeakPolarHBondContact CA-OD1 3.15Å; E298-N319 WeakPolarHBondContact CB-ND2 3.2Å; E298-N319 HydrophobicContact CG-CB 3.97Å; E298-Y374 PolarHBondContact OE1-OH 3.28Å; E298-R384 PolarHBondContact O-NH2 2.99Å |
| 299 | C | 90.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 133.7 | 173.7 | -59.4 | 0 | 0 | 0 | 0 | 109.6 | Y215 Y218 E220 C221 N297 S317 N318 | Y215-C299 PolarHBondContact OH-SG 3.03Å; Y215-C299 VanDerWaalsContact OH-SG 3.38Å; Y218-C299 VanDerWaalsContact CB-CB 3.47Å; Y218-C299 HydrophobicContact CD1-CB 3.84Å; Y218-C299 HydrophobicContact CD2-CB 3.84Å; Y218-C299 HydrophobicContact CG-CB 3.43Å; Y218-C299 VanDerWaalsContact CG-CB 3.43Å; E220-C299 CarbonylContact O-C 3.53Å; E220-C299 VanDerWaalsContact O-CA 3.29Å; E220-C299 WeakPolarHBondContact O-CA 3.29Å; C221-C299 HydrophobicContact CB-CB 3.97Å; C221-C299 WeakPolarHBondContact CB-SG 3.42Å; C221-C299 WeakPolarHBondContact SG-CB 3.09Å; C221-C299 CovalentContact SG-SG 2.04Å; C221-C299 PolarHBondContact SG-SG 2.91Å; N297-C299 PolarHBondContact O-N 3.09Å; C299-S317 VanDerWaalsContact O-CA 3.29Å; C299-S317 WeakPolarHBondContact O-CA 3.47Å; C299-S317 PolarHBondContact O-OG 2.91Å; C299-N318 HydrophobicContact CB-CB 4.4Å; C299-N318 PolarHBondContact N-OD1 3.45Å; C299-N318 PolarHBondContact O-N 2.89Å; C299-N318 PolarHBondContact O-OD1 3.42Å |
| 300 | M | 88.3 | Confident | 90.4 | Very high | 2 Ų | 2 | 53.7 Ų | 53.7 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 121.1 | 178.1 | -171.6 | 178.6 | -71.2 | 0 | 0 | 109.8 | E220 F315 R316 L372 Y374 Y386 | E220-M300 PolarHBondContact O-N 3.14Å; M300-F315 HydrophobicContact CG-CD1 4.41Å; M300-F315 HydrophobicContact SD-CD1 3.86Å; M300-R316 CarbonylContact C-O 3.51Å; M300-R316 VanDerWaalsContact CA-O 3.3Å; M300-R316 WeakPolarHBondContact CA-O 3.48Å; M300-L372 HydrophobicContact CE-CD1 3.7Å; M300-L372 HydrophobicContact SD-CD1 3.34Å; M300-L372 WeakPolarHBondContact SD-CD1 3.14Å; M300-Y374 WeakPolarHBondContact CE-OH 3.43Å; M300-Y386 HydrophobicContact SD-CE2 3.96Å; M300-Y386 PolarHBondContact SD-OH 3.24Å |
| 301 | D | 88.4 | Confident | 90.4 | Very high | 23 Ų | 23 | 48.3 Ų | 48.3 | 12% | 0.123 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 151.8 | 174.7 | -75.6 | -4.6 | 0 | 0 | 0 | 109.8 | H216 Y218 R219 E220 R316 | H216-D301 IonicContact CD2-OD2 3.86Å; H216-D301 IonicContact NE2-OD2 3.93Å; H216-D301 PolarHBondContact NE2-OD2 2.82Å; Y218-D301 VanDerWaalsContact CA-OD2 3.28Å; Y218-D301 WeakPolarHBondContact CA-OD2 3.32Å; Y218-D301 HydrophobicContact CD1-CB 4.15Å; R219-D301 PolarHBondContact N-OD1 2.99Å; R219-D301 PolarHBondContact N-OD2 2.58Å; E220-D301 PolarHBondContact N-OD1 3.35Å; D301-R316 PolarHBondContact N-O 3.36Å; D301-R316 PolarHBondContact O-N 3.35Å |
| 302 | I | 88.8 | Confident | 90.4 | Very high | 56 Ų | 56 | 47.1 Ų | 47.1 | 29% | 0.287 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 132.1 | -179.1 | -170.9 | 178 | 0 | 0 | 0 | 110.2 | V304 A313 H314 F315 Y386 L388 | I302-V304 HydrophobicContact CD1-CG2 4.3Å; I302-V304 HydrophobicContact CG1-CG2 4.28Å; I302-A313 HydrophobicContact CD1-CB 3.9Å; I302-A313 HydrophobicContact CG1-CB 4.11Å; I302-H314 WeakPolarHBondContact CA-O 3.41Å; I302-F315 HydrophobicContact CB-CD1 4.39Å; I302-F315 HydrophobicContact CB-CE1 4.41Å; I302-F315 HydrophobicContact CD1-CD1 4.19Å; I302-F315 HydrophobicContact CD1-CE1 3.5Å; I302-F315 VanDerWaalsContact CD1-CE1 3.5Å; I302-F315 HydrophobicContact CD1-CE2 4.02Å; I302-F315 HydrophobicContact CD1-CZ 3.4Å; I302-F315 HydrophobicContact CG1-CD1 4.22Å; I302-F315 HydrophobicContact CG1-CE1 4.03Å; I302-F315 HydrophobicContact CG1-CE2 4.45Å; I302-F315 HydrophobicContact CG1-CZ 4.15Å; I302-Y386 HydrophobicContact CD1-CD1 4.42Å; I302-Y386 HydrophobicContact CD1-CG 4.44Å; I302-Y386 HydrophobicContact CG2-CD1 4.4Å; I302-L388 HydrophobicContact CD1-CD2 3.37Å |
| 303 | V | 90.3 | Very high | 90.2 | Very high | 72 Ų | 72 | 43.7 Ų | 43.7 | 44% | 0.436 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 124 | 171.4 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | F305 A313 H314 | V303-F305 HydrophobicContact CB-CE2 4.24Å; V303-F305 HydrophobicContact CB-CZ 4.39Å; V303-F305 HydrophobicContact CG1-CE1 4.16Å; V303-F305 HydrophobicContact CG1-CE2 3.84Å; V303-F305 HydrophobicContact CG1-CZ 3.62Å; V303-A313 WeakPolarHBondContact O-CA 3.41Å; V303-H314 PolarHBondContact N-O 3.45Å; V303-H314 PolarHBondContact O-N 3.13Å |
| 304 | V | 89.9 | Confident | 90.1 | Very high | 49 Ų | 49 | 46 Ų | 46 | 30% | 0.297 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.3 | -177.2 | -174.7 | 0 | 0 | 0 | 0 | 109.9 | I302 I311 L388 | I302-V304 HydrophobicContact CD1-CG2 4.3Å; I302-V304 HydrophobicContact CG1-CG2 4.28Å; V304-I311 HydrophobicContact CG1-CG2 3.79Å; V304-L388 HydrophobicContact CG2-CD2 3.91Å |
| 305 | F | 93.4 | Very high | 89.9 | Confident | 99 Ų | 99 | 42.4 Ų | 42.4 | 43% | 0.434 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 115.1 | 174.5 | -56.7 | -84 | 0 | 0 | 0 | 109.2 | V303 E307 T312 H314 | V303-F305 HydrophobicContact CB-CE2 4.24Å; V303-F305 HydrophobicContact CB-CZ 4.39Å; V303-F305 HydrophobicContact CG1-CE1 4.16Å; V303-F305 HydrophobicContact CG1-CE2 3.84Å; V303-F305 HydrophobicContact CG1-CZ 3.62Å; F305-E307 PolarHBondContact O-N 3.32Å; F305-T312 PolarHBondContact N-O 3.47Å; F305-T312 PolarHBondContact O-N 2.79Å; F305-H314 HydrophobicContact CE2-CB 3.94Å |
| 306 | C | 90.1 | Very high | 89.6 | Confident | 57 Ų | 57 | 45 Ų | 45 | 39% | 0.385 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 94 | 179.7 | -56.8 | 0 | 0 | 0 | 0 | 109.4 | C390 Y392 | C306-C390 VanDerWaalsContact CA-SG 3.53Å; C306-C390 HydrophobicContact CB-CB 3.68Å; C306-C390 WeakPolarHBondContact CB-SG 3.39Å; C306-C390 WeakPolarHBondContact SG-CA 3.06Å; C306-C390 WeakPolarHBondContact SG-CB 3.09Å; C306-C390 CovalentContact SG-SG 2.03Å; C306-C390 PolarHBondContact SG-SG 2.82Å; C306-Y392 HydrophobicContact CB-CE1 4.16Å |
| 307 | E | 87.6 | Confident | 89.5 | Confident | 89 Ų | 89 | 44.4 Ų | 44.4 | 42% | 0.416 | 22% | 0.221 | S | C | . | . | trans | -97.3 | 169.3 | 178.5 | -60.4 | -171.6 | -143.6 | 0 | 0 | 111.2 | F305 H309 H310 Y392 | F305-E307 PolarHBondContact O-N 3.32Å; E307-H309 VanDerWaalsContact C-N 3.27Å; E307-H309 PolarHBondContact O-N 3.02Å; E307-H310 CarbonylContact C-O 3.49Å; E307-H310 WeakPolarHBondContact CA-O 3.32Å; E307-H310 WeakPolarHBondContact CB-O 3.43Å; E307-H310 PolarHBondContact N-O 2.92Å; E307-H310 IonicContact OE1-CE1 2.82Å; E307-H310 PolarHBondContact OE1-CE1 3.48Å; E307-H310 VanDerWaalsContact OE1-CE1 3.27Å; E307-H310 IonicContact OE1-ND1 3.29Å; E307-H310 IonicContact OE2-CE1 3.74Å; E307-H310 PolarHBondContact OE2-CE1 2.86Å; E307-H310 IonicContact OE2-ND1 3.03Å; E307-H310 IonicContact OE2-NE2 2.73Å; E307-H310 PolarHBondContact OE2-NE2 2.83Å; E307-Y392 WeakPolarHBondContact O-CE1 3.35Å; E307-Y392 PolarHBondContact O-OH 2.97Å | ||
| 308 | H | 83 | Confident | 89.4 | Confident | 119 Ų | 119 | 43 Ų | 43 | 55% | 0.551 | 21% | 0.213 | S | C | * | . | S | Bend | trans | -62.6 | -29.9 | -172.4 | -63.3 | 94.1 | 0 | 0 | 0 | 114.3 | L538 | H308-L538 HydrophobicContact CB-CD1 3.89Å; H308-L538 HydrophobicContact CB-CD2 3.84Å |
| 309 | H | 84.9 | Confident | 89.3 | Confident | 116 Ų | 116 | 43.9 Ų | 43.9 | 54% | 0.537 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -123 | -5.8 | -175.2 | -62.1 | -52.9 | 0 | 0 | 0 | 113.6 | E307 P349 L350 | E307-H309 VanDerWaalsContact C-N 3.27Å; E307-H309 PolarHBondContact O-N 3.02Å; H309-P349 CarbonylContact O-C 3.57Å; H309-P349 WeakPolarHBondContact O-CA 3.34Å; H309-L350 PolarHBondContact O-N 2.88Å |
| 310 | H | 87.8 | Confident | 89.2 | Confident | 53 Ų | 53 | 45 Ų | 45 | 25% | 0.245 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 155 | 179.9 | 52.6 | 73.2 | 0 | 0 | 0 | 112.2 | E307 T312 T347 I348 | E307-H310 CarbonylContact C-O 3.49Å; E307-H310 WeakPolarHBondContact CA-O 3.32Å; E307-H310 WeakPolarHBondContact CB-O 3.43Å; E307-H310 PolarHBondContact N-O 2.92Å; E307-H310 IonicContact OE1-CE1 2.82Å; E307-H310 PolarHBondContact OE1-CE1 3.48Å; E307-H310 VanDerWaalsContact OE1-CE1 3.27Å; E307-H310 IonicContact OE1-ND1 3.29Å; E307-H310 IonicContact OE2-CE1 3.74Å; E307-H310 PolarHBondContact OE2-CE1 2.86Å; E307-H310 IonicContact OE2-ND1 3.03Å; E307-H310 IonicContact OE2-NE2 2.73Å; E307-H310 PolarHBondContact OE2-NE2 2.83Å; H310-T312 PolarHBondContact ND1-OG1 2.85Å; H310-T347 HydrophobicContact CB-CG2 3.67Å; H310-I348 CarbonylContact C-O 3.49Å; H310-I348 WeakPolarHBondContact CA-O 3.47Å; H310-I348 WeakPolarHBondContact CB-O 3.28Å |
| 311 | I | 88.6 | Confident | 89.2 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 119.3 | 167.4 | -57.2 | 176.2 | 0 | 0 | 0 | 106.6 | V304 T347 I348 L350 V366 T368 L388 C390 | V304-I311 HydrophobicContact CG1-CG2 3.79Å; I311-T347 WeakPolarHBondContact O-CA 3.23Å; I311-I348 PolarHBondContact N-O 3.37Å; I311-I348 PolarHBondContact O-N 3.36Å; I311-L350 HydrophobicContact CD1-CD2 3.85Å; I311-L350 HydrophobicContact CG1-CD2 3.76Å; I311-L350 HydrophobicContact CG1-CG 4.45Å; I311-V366 HydrophobicContact CD1-CG2 3.93Å; I311-T368 HydrophobicContact CD1-CG2 4.32Å; I311-L388 HydrophobicContact CG2-CB 4.46Å; I311-L388 HydrophobicContact CG2-CD1 3.86Å; I311-C390 HydrophobicContact CD1-CB 4.12Å; I311-C390 HydrophobicContact CG1-CB 4.32Å |
| 312 | T | 91.2 | Very high | 89.1 | Confident | 14 Ų | 14 | 47.1 Ų | 47.1 | 9% | 0.086 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 119.1 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 109.3 | F305 H310 N345 V346 T347 | F305-T312 PolarHBondContact N-O 3.47Å; F305-T312 PolarHBondContact O-N 2.79Å; H310-T312 PolarHBondContact ND1-OG1 2.85Å; T312-N345 HydrophobicContact CG2-CB 4.31Å; T312-V346 CarbonylContact C-O 3.56Å; T312-V346 WeakPolarHBondContact CA-O 3.11Å; T312-T347 PolarHBondContact OG1-OG1 2.99Å |
| 313 | A | 91 | Very high | 89.1 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 120.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | I302 V303 F315 N345 V346 L388 | I302-A313 HydrophobicContact CD1-CB 3.9Å; I302-A313 HydrophobicContact CG1-CB 4.11Å; V303-A313 WeakPolarHBondContact O-CA 3.41Å; A313-F315 HydrophobicContact CB-CD2 4.21Å; A313-F315 HydrophobicContact CB-CE2 3.59Å; A313-F315 HydrophobicContact CB-CZ 4.24Å; A313-N345 CarbonylContact O-C 3.53Å; A313-N345 WeakPolarHBondContact O-CA 3.48Å; A313-V346 PolarHBondContact N-O 3.15Å; A313-V346 PolarHBondContact O-N 2.97Å; A313-L388 HydrophobicContact CB-CD1 3.65Å; A313-L388 HydrophobicContact CB-CD2 4.19Å |
| 314 | H | 93.6 | Very high | 89 | Confident | 54 Ų | 54 | 43.5 Ų | 43.5 | 25% | 0.25 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 110.4 | 172.5 | -177.1 | -171 | 0 | 0 | 0 | 109 | I302 V303 F305 N345 | I302-H314 WeakPolarHBondContact CA-O 3.41Å; V303-H314 PolarHBondContact N-O 3.45Å; V303-H314 PolarHBondContact O-N 3.13Å; F305-H314 HydrophobicContact CE2-CB 3.94Å; H314-N345 WeakPolarHBondContact CA-OD1 3.3Å; H314-N345 VanDerWaalsContact CB-OD1 3.26Å; H314-N345 WeakPolarHBondContact CB-OD1 3.34Å; H314-N345 PolarHBondContact CD2-OD1 3.26Å; H314-N345 VanDerWaalsContact CG-OD1 3.26Å |
| 315 | F | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 138.6 | 176.3 | -69.4 | -94.9 | 0 | 0 | 0 | 110.1 | M300 I302 A313 D343 F344 V346 I370 L372 Y386 | M300-F315 HydrophobicContact CG-CD1 4.41Å; M300-F315 HydrophobicContact SD-CD1 3.86Å; I302-F315 HydrophobicContact CB-CD1 4.39Å; I302-F315 HydrophobicContact CB-CE1 4.41Å; I302-F315 HydrophobicContact CD1-CD1 4.19Å; I302-F315 HydrophobicContact CD1-CE1 3.5Å; I302-F315 VanDerWaalsContact CD1-CE1 3.5Å; I302-F315 HydrophobicContact CD1-CE2 4.02Å; I302-F315 HydrophobicContact CD1-CZ 3.4Å; I302-F315 HydrophobicContact CG1-CD1 4.22Å; I302-F315 HydrophobicContact CG1-CE1 4.03Å; I302-F315 HydrophobicContact CG1-CE2 4.45Å; I302-F315 HydrophobicContact CG1-CZ 4.15Å; A313-F315 HydrophobicContact CB-CD2 4.21Å; A313-F315 HydrophobicContact CB-CE2 3.59Å; A313-F315 HydrophobicContact CB-CZ 4.24Å; F315-D343 VanDerWaalsContact O-CA 3.26Å; F315-D343 WeakPolarHBondContact O-CA 3.46Å; F315-F344 HydrophobicContact CB-CD1 4.13Å; F315-F344 HydrophobicContact CB-CD2 4.1Å; F315-F344 HydrophobicContact CB-CE1 3.74Å; F315-F344 HydrophobicContact CB-CE2 3.7Å; F315-F344 HydrophobicContact CB-CG 4.3Å; F315-F344 HydrophobicContact CB-CZ 3.51Å; F315-F344 HydrophobicContact CD1-CE2 4.49Å; F315-F344 HydrophobicContact CD1-CZ 4.27Å; F315-F344 HydrophobicContact CD2-CD2 4.08Å; F315-F344 AromaticContact CD2-CE2 3.56Å; F315-F344 HydrophobicContact CD2-CE2 3.56Å; F315-F344 HydrophobicContact CD2-CZ 4.11Å; F315-F344 HydrophobicContact CE2-CE2 4.3Å; F315-F344 HydrophobicContact CG-CD2 4.36Å; F315-F344 HydrophobicContact CG-CE1 4.44Å; F315-F344 AromaticContact CG-CE2 3.67Å; F315-F344 HydrophobicContact CG-CE2 3.67Å; F315-F344 AromaticContact CG-CZ 3.72Å; F315-F344 HydrophobicContact CG-CZ 3.72Å; F315-F344 PolarHBondContact N-O 2.9Å; F315-F344 PolarHBondContact O-N 2.79Å; F315-V346 HydrophobicContact CD2-CG2 3.83Å; F315-V346 HydrophobicContact CE2-CB 4.11Å; F315-V346 HydrophobicContact CE2-CG2 3.6Å; F315-I370 HydrophobicContact CZ-CD1 4.5Å; F315-I370 HydrophobicContact CZ-CG2 4.33Å; F315-L372 HydrophobicContact CD1-CD1 4.19Å; F315-L372 HydrophobicContact CE1-CD1 4.15Å; F315-L372 HydrophobicContact CE1-CD2 4.45Å; F315-Y386 HydrophobicContact CE1-CD1 4.43Å; F315-Y386 AromaticContact CE1-CD2 3.67Å; F315-Y386 HydrophobicContact CE1-CD2 3.67Å; F315-Y386 AromaticContact CE1-CE2 3.9Å; F315-Y386 HydrophobicContact CE1-CE2 3.9Å; F315-Y386 AromaticContact CE1-CG 3.94Å; F315-Y386 HydrophobicContact CE1-CG 3.94Å; F315-Y386 HydrophobicContact CZ-CD2 4.31Å; F315-Y386 HydrophobicContact CZ-CG 4.47Å |
| 316 | R | 91.1 | Very high | 88.5 | Confident | 65 Ų | 65 | 38.2 Ų | 38.2 | 25% | 0.245 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 126.3 | 175.7 | -55 | -172.1 | 60.5 | -166.5 | -6.4 | 108.5 | H216 Y218 M300 D301 F342 D343 | H216-R316 PolarHBondContact CE1-NH1 3.45Å; H216-R316 PolarHBondContact ND1-NH1 2.77Å; H216-R316 VanDerWaalsContact ND1-NH1 3.2Å; Y218-R316 HydrophobicContact CE1-CB 4.43Å; Y218-R316 WeakPolarHBondContact CE1-O 3.28Å; M300-R316 CarbonylContact C-O 3.51Å; M300-R316 VanDerWaalsContact CA-O 3.3Å; M300-R316 WeakPolarHBondContact CA-O 3.48Å; D301-R316 PolarHBondContact N-O 3.36Å; D301-R316 PolarHBondContact O-N 3.35Å; R316-F342 CarbonylContact C-O 2.95Å; R316-D343 VanDerWaalsContact CB-OD1 3.3Å; R316-D343 WeakPolarHBondContact CB-OD1 3.41Å; R316-D343 WeakPolarHBondContact CG-OD1 3.23Å; R316-D343 IonicContact CZ-OD1 3.18Å; R316-D343 IonicContact NE-OD1 2.76Å; R316-D343 PolarHBondContact NE-OD1 2.89Å |
| 317 | S | 90.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 151.9 | -177.2 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | Y218 E298 C299 N319 F342 | Y218-S317 PolarHBondContact OH-O 3.2Å; E298-S317 PolarHBondContact OE1-OG 2.79Å; C299-S317 VanDerWaalsContact O-CA 3.29Å; C299-S317 WeakPolarHBondContact O-CA 3.47Å; C299-S317 PolarHBondContact O-OG 2.91Å; S317-N319 VanDerWaalsContact C-N 3.3Å; S317-N319 VanDerWaalsContact CB-O 3.29Å; S317-N319 WeakPolarHBondContact CB-O 3.11Å; S317-N319 PolarHBondContact OG-N 2.84Å; S317-N319 VanDerWaalsContact OG-N 3.1Å; S317-N319 PolarHBondContact OG-O 3.06Å; S317-N319 VanDerWaalsContact OG-O 3.11Å; S317-F342 PolarHBondContact N-O 3.45Å |
| 318 | N | 88.6 | Confident | 87.3 | Confident | 21 Ų | 21 | 34.2 Ų | 34.2 | 11% | 0.112 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | -13.1 | 168.7 | 70.3 | -19.1 | 0 | 0 | 0 | 112.5 | Y215 Y218 N297 E298 C299 F342 | Y215-N318 HydrophobicContact CE2-CB 4.18Å; Y218-N318 HydrophobicContact CE2-CB 3.82Å; Y218-N318 PolarHBondContact OH-N 3.17Å; N297-N318 PolarHBondContact O-ND2 3.44Å; E298-N318 WeakPolarHBondContact CA-OD1 3.15Å; C299-N318 HydrophobicContact CB-CB 4.4Å; C299-N318 PolarHBondContact N-OD1 3.45Å; C299-N318 PolarHBondContact O-N 2.89Å; C299-N318 PolarHBondContact O-OD1 3.42Å; N318-F342 WeakPolarHBondContact O-CE1 3.25Å |
| 319 | N | 87.3 | Confident | 86.5 | Confident | 33 Ų | 33 | 35.9 Ų | 35.9 | 18% | 0.176 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 158 | 175 | -76.9 | -10.3 | 0 | 0 | 0 | 111 | R193 E298 S317 F321 F342 | R193-N319 PolarHBondContact O-OD1 2.95Å; E298-N319 WeakPolarHBondContact CB-ND2 3.2Å; E298-N319 HydrophobicContact CG-CB 3.97Å; S317-N319 VanDerWaalsContact C-N 3.3Å; S317-N319 VanDerWaalsContact CB-O 3.29Å; S317-N319 WeakPolarHBondContact CB-O 3.11Å; S317-N319 PolarHBondContact OG-N 2.84Å; S317-N319 VanDerWaalsContact OG-N 3.1Å; S317-N319 PolarHBondContact OG-O 3.06Å; S317-N319 VanDerWaalsContact OG-O 3.11Å; N319-F321 PolarHBondContact O-N 3.12Å; N319-F342 WeakPolarHBondContact O-CD1 3.5Å |
| 320 | V | 87.7 | Confident | 85.6 | Confident | 22 Ų | 22 | 32 Ų | 32 | 13% | 0.133 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 121.4 | 174.8 | -178.2 | 0 | 0 | 0 | 0 | 108.7 | Y190 M195 K340 F342 | Y190-V320 HydrophobicContact CD1-CG2 3.45Å; Y190-V320 VanDerWaalsContact CD1-CG2 3.45Å; Y190-V320 HydrophobicContact CE1-CG2 3.35Å; M195-V320 HydrophobicContact CE-CG2 4.3Å; M195-V320 HydrophobicContact CG-CG2 4.26Å; V320-K340 HydrophobicContact CG1-CB 3.69Å; V320-K340 HydrophobicContact CG1-CG 4.14Å; V320-F342 HydrophobicContact CG2-CD1 4.43Å; V320-F342 HydrophobicContact CG2-CD2 4.45Å; V320-F342 HydrophobicContact CG2-CE1 3.76Å; V320-F342 HydrophobicContact CG2-CE2 3.79Å; V320-F342 HydrophobicContact CG2-CZ 3.41Å; V320-F342 VanDerWaalsContact CG2-CZ 3.41Å |
| 321 | F | 88.5 | Confident | 84.4 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 124.9 | 166.2 | -175.7 | -112 | 0 | 0 | 0 | 109.2 | N319 V325 V338 K340 R341 F344 L372 Y374 | N319-F321 PolarHBondContact O-N 3.12Å; F321-V325 HydrophobicContact CE1-CG2 3.99Å; F321-V338 HydrophobicContact CD1-CB 3.63Å; F321-V338 HydrophobicContact CD1-CG1 3.73Å; F321-V338 HydrophobicContact CD1-CG2 4.15Å; F321-V338 HydrophobicContact CE1-CB 3.73Å; F321-V338 HydrophobicContact CE1-CG1 4.35Å; F321-V338 HydrophobicContact CE1-CG2 3.99Å; F321-K340 CarbonylContact O-C 3.55Å; F321-K340 VanDerWaalsContact O-CA 3.25Å; F321-K340 WeakPolarHBondContact O-CA 3.42Å; F321-K340 PolarHBondContact O-N 3.39Å; F321-R341 PolarHBondContact N-O 2.83Å; F321-R341 PolarHBondContact O-N 2.89Å; F321-F344 HydrophobicContact CB-CD1 4.5Å; F321-F344 HydrophobicContact CB-CE1 3.8Å; F321-F344 HydrophobicContact CD1-CD1 4.28Å; F321-F344 AromaticContact CD1-CE1 3.58Å; F321-F344 HydrophobicContact CD1-CE1 3.58Å; F321-F344 HydrophobicContact CD1-CE2 4.35Å; F321-F344 AromaticContact CD1-CZ 3.62Å; F321-F344 HydrophobicContact CD1-CZ 3.62Å; F321-F344 HydrophobicContact CE1-CE1 4.47Å; F321-F344 HydrophobicContact CE1-CZ 4.08Å; F321-F344 AromaticContact CG-CE1 3.89Å; F321-F344 HydrophobicContact CG-CE1 3.89Å; F321-F344 HydrophobicContact CG-CZ 4.14Å; F321-L372 HydrophobicContact CE1-CD2 4.41Å; F321-L372 HydrophobicContact CE2-CB 3.92Å; F321-L372 HydrophobicContact CZ-CB 4.02Å; F321-L372 HydrophobicContact CZ-CD2 4.19Å; F321-Y374 HydrophobicContact CD2-CD1 4.1Å; F321-Y374 HydrophobicContact CD2-CD2 4.44Å; F321-Y374 AromaticContact CD2-CE1 3.69Å; F321-Y374 HydrophobicContact CD2-CE1 3.69Å; F321-Y374 HydrophobicContact CD2-CE2 4.03Å; F321-Y374 HydrophobicContact CD2-CG 4.47Å; F321-Y374 AromaticContact CD2-CZ 3.64Å; F321-Y374 HydrophobicContact CE2-CD1 4.25Å; F321-Y374 AromaticContact CE2-CD2 3.96Å; F321-Y374 HydrophobicContact CE2-CD2 3.96Å; F321-Y374 HydrophobicContact CE2-CE1 4.17Å; F321-Y374 AromaticContact CE2-CE2 3.82Å; F321-Y374 HydrophobicContact CE2-CE2 3.82Å; F321-Y374 HydrophobicContact CE2-CG 4.17Å; F321-Y374 AromaticContact CE2-CZ 3.94Å |
| 322 | D | 86.2 | Confident | 83.4 | Confident | 71 Ų | 71 | 37.6 Ų | 37.6 | 38% | 0.38 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 104.8 | 176.7 | -162.6 | 19.3 | 0 | 0 | 0 | 107.2 | V338 K340 | D322-V338 WeakPolarHBondContact CA-O 3.34Å; D322-K340 HydrophobicContact CB-CG 3.96Å; D322-K340 VanDerWaalsContact CG-CG 3.41Å; D322-K340 PolarHBondContact OD1-N 3.21Å; D322-K340 WeakPolarHBondContact OD2-CE 3.35Å; D322-K340 VanDerWaalsContact OD2-CG 3.27Å; D322-K340 WeakPolarHBondContact OD2-CG 3.18Å |
| 323 | G | 88.8 | Confident | 82.4 | Confident | 11 Ų | 11 | 39.7 Ų | 39.7 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.9 | -157.6 | -171 | 0 | 0 | 0 | 0 | 0 | 114.9 | V338 Q373 | G323-V338 PolarHBondContact N-O 3.3Å; G323-V338 PolarHBondContact O-N 3.45Å; G323-Q373 WeakPolarHBondContact CA-O 3.11Å |
| 324 | K | 88.3 | Confident | 81.9 | Confident | 40 Ų | 40 | 39.7 Ų | 39.7 | 17% | 0.174 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 138.7 | -171.6 | -76.4 | 160.3 | 178.5 | 158.5 | 0 | 111.5 | Q335 N337 Q373 D376 | K324-Q335 VanDerWaalsContact CD-NE2 3.28Å; K324-N337 VanDerWaalsContact CG-OD1 3.25Å; K324-N337 WeakPolarHBondContact CG-OD1 3.24Å; K324-Q373 HydrophobicContact CB-CB 4.41Å; K324-Q373 PolarHBondContact N-O 2.82Å; K324-Q373 PolarHBondContact O-N 2.85Å; K324-D376 WeakPolarHBondContact CE-OD1 3.46Å; K324-D376 IonicContact NZ-OD1 3.46Å; K324-D376 PolarHBondContact NZ-OD1 3.01Å |
| 325 | V | 88.7 | Confident | 81.4 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 121 | 167.4 | -173.3 | 0 | 0 | 0 | 0 | 108 | F321 Q335 F336 V338 F344 V346 I370 K371 L372 | F321-V325 HydrophobicContact CE1-CG2 3.99Å; V325-Q335 CarbonylContact O-C 3.52Å; V325-Q335 WeakPolarHBondContact O-CA 3.03Å; V325-F336 HydrophobicContact CB-CB 4.21Å; V325-F336 HydrophobicContact CB-CD2 4.38Å; V325-F336 HydrophobicContact CG1-CD2 4.48Å; V325-F336 PolarHBondContact N-O 2.94Å; V325-F336 PolarHBondContact O-N 3.3Å; V325-V338 HydrophobicContact CG2-CG2 3.77Å; V325-F344 HydrophobicContact CG2-CE2 3.91Å; V325-V346 HydrophobicContact CB-CG2 4.34Å; V325-V346 HydrophobicContact CG1-CB 4.47Å; V325-V346 HydrophobicContact CG1-CG1 3.9Å; V325-V346 HydrophobicContact CG1-CG2 3.76Å; V325-V346 HydrophobicContact CG2-CG2 4.1Å; V325-I370 HydrophobicContact CG1-CG2 3.32Å; V325-K371 WeakPolarHBondContact CA-O 3.37Å; V325-L372 HydrophobicContact CB-CD2 4.29Å; V325-L372 HydrophobicContact CG1-CD2 4.02Å; V325-L372 HydrophobicContact CG2-CD2 3.67Å |
| 326 | L | 83.8 | Confident | 81.2 | Confident | 37 Ų | 37 | 44 Ų | 44 | 19% | 0.194 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 129.9 | -177.7 | -64.6 | 161.1 | 0 | 0 | 0 | 109.3 | Q335 K371 Q373 | L326-Q335 HydrophobicContact CD2-CB 3.89Å; L326-Q335 HydrophobicContact CD2-CG 3.59Å; L326-K371 HydrophobicContact CB-CB 4.32Å; L326-K371 HydrophobicContact CD1-CD 4.42Å; L326-K371 PolarHBondContact N-O 2.82Å; L326-K371 PolarHBondContact O-N 2.83Å; L326-Q373 HydrophobicContact CD1-CB 4.39Å |
| 327 | S | 81.5 | Confident | 81.1 | Confident | 7 Ų | 7 | 45.9 Ų | 45.9 | 5% | 0.049 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 124.1 | 162.7 | -170.4 | 0 | 0 | 0 | 0 | 109.4 | S330 C334 C356 T368 | S327-S330 WeakPolarHBondContact O-CB 3.44Å; S327-S330 PolarHBondContact O-N 2.78Å; S327-S330 PolarHBondContact O-OG 2.8Å; S327-C334 PolarHBondContact N-O 3.47Å; S327-C356 PolarHBondContact OG-O 3.27Å; S327-T368 PolarHBondContact OG-OG1 2.97Å |
| 328 | L | 70.6 | Confident | 81.1 | Confident | 54 Ų | 54 | 46.6 Ų | 46.6 | 28% | 0.283 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | 146.9 | 177.4 | -73.2 | -178.6 | 0 | 0 | 0 | 110.9 | S330 G357 L369 K371 F385 | L328-S330 PolarHBondContact O-N 3.02Å; L328-G357 WeakPolarHBondContact O-CA 3.35Å; L328-L369 HydrophobicContact CB-CB 4.43Å; L328-L369 HydrophobicContact CD1-CD2 3.39Å; L328-L369 HydrophobicContact CD1-CG 3.82Å; L328-L369 HydrophobicContact CG-CD2 4.47Å; L328-L369 PolarHBondContact N-O 3.07Å; L328-K371 HydrophobicContact CG-CB 4.44Å; L328-F385 HydrophobicContact CD1-CD1 3.72Å; L328-F385 HydrophobicContact CD1-CE1 3.6Å; L328-F385 HydrophobicContact CD2-CE1 4.5Å; L328-F385 HydrophobicContact CG-CE1 4.39Å |
| 329 | N | 66.7 | Low | 81.1 | Confident | 155 Ų | 155 | 51.3 Ų | 51.3 | 83% | 0.829 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 19.8 | -172.1 | -57.6 | -17.4 | 0 | 0 | 0 | 114.4 | ||
| 330 | S | 64.8 | Low | 81 | Confident | 35 Ų | 35 | 54 Ų | 54 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | B | Isolated β-bridge | trans | -94.6 | 151.4 | 176 | 76.4 | 0 | 0 | 0 | 0 | 113.2 | S327 L328 R355 | S327-S330 WeakPolarHBondContact O-CB 3.44Å; S327-S330 PolarHBondContact O-N 2.78Å; S327-S330 PolarHBondContact O-OG 2.8Å; L328-S330 PolarHBondContact O-N 3.02Å; S330-R355 CarbonylContact C-O 3.59Å; S330-R355 WeakPolarHBondContact CA-O 2.99Å; S330-R355 WeakPolarHBondContact CB-O 2.97Å |
| 331 | S | 63.2 | Low | 81.1 | Confident | 57 Ų | 57 | 60 Ų | 60 | 40% | 0.399 | 33% | 0.331 | S | S | . | . | trans | -67.7 | 160.2 | 160.3 | 60.9 | 0 | 0 | 0 | 0 | 110.4 | G333 C334 R355 | S331-G333 PolarHBondContact O-N 2.83Å; S331-C334 PolarHBondContact O-N 2.82Å; S331-C334 VanDerWaalsContact O-N 3.17Å; S331-R355 PolarHBondContact N-O 3.46Å; S331-R355 PolarHBondContact OG-O 2.86Å | ||
| 332 | S | 67.6 | Low | 81.2 | Confident | 112 Ų | 112 | 61.1 Ų | 61.1 | 78% | 0.783 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -49.9 | -18.6 | -177.3 | 54.9 | 0 | 0 | 0 | 0 | 115.7 | C334 | S332-C334 VanDerWaalsContact C-N 3.25Å; S332-C334 PolarHBondContact O-N 2.01Å |
| 333 | G | 70.6 | Confident | 81.4 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 60% | 0.598 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -71.4 | -0.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | S331 | S331-G333 PolarHBondContact O-N 2.83Š|
| 334 | C | 79.8 | Confident | 81.7 | Confident | 1 Ų | 1 | 60.7 Ų | 60.7 | 1% | 0.007 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -121.5 | 32.4 | 178.1 | -38.8 | 0 | 0 | 0 | 0 | 112.2 | S327 S331 S332 R355 C356 | S327-C334 PolarHBondContact N-O 3.47Å; S331-C334 PolarHBondContact O-N 2.82Å; S331-C334 VanDerWaalsContact O-N 3.17Å; S332-C334 VanDerWaalsContact C-N 3.25Å; S332-C334 PolarHBondContact O-N 2.01Å; C334-R355 PolarHBondContact SG-O 3.23Å; C334-R355 VanDerWaalsContact SG-O 3.33Å; C334-C356 HydrophobicContact CB-CB 3.8Å; C334-C356 WeakPolarHBondContact CB-SG 3.49Å; C334-C356 WeakPolarHBondContact SG-CA 2.94Å; C334-C356 WeakPolarHBondContact SG-CB 3.01Å; C334-C356 CovalentContact SG-SG 2.03Å; C334-C356 PolarHBondContact SG-SG 2.79Å |
| 335 | Q | 84.4 | Confident | 81.9 | Confident | 77 Ų | 77 | 63.5 Ų | 63.5 | 36% | 0.36 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 136.3 | 171.3 | 177.3 | 178.1 | -12.2 | 0 | 0 | 109.7 | K324 V325 L326 | K324-Q335 VanDerWaalsContact CD-NE2 3.28Å; V325-Q335 CarbonylContact O-C 3.52Å; V325-Q335 WeakPolarHBondContact O-CA 3.03Å; L326-Q335 HydrophobicContact CD2-CB 3.89Å; L326-Q335 HydrophobicContact CD2-CG 3.59Å |
| 336 | F | 86.2 | Confident | 82 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 129 | 178.1 | -48.2 | -94.1 | 0 | 0 | 0 | 108.9 | V325 V346 T347 | V325-F336 HydrophobicContact CB-CB 4.21Å; V325-F336 HydrophobicContact CB-CD2 4.38Å; V325-F336 HydrophobicContact CG1-CD2 4.48Å; V325-F336 PolarHBondContact N-O 2.94Å; V325-F336 PolarHBondContact O-N 3.3Å; F336-V346 HydrophobicContact CD2-CG1 3.9Å; F336-V346 HydrophobicContact CE2-CG1 3.86Å; F336-T347 VanDerWaalsContact CZ-O 3.31Å; F336-T347 WeakPolarHBondContact CZ-O 3.4Å |
| 337 | N | 89.3 | Confident | 82.2 | Confident | 105 Ų | 105 | 64.5 Ų | 64.5 | 56% | 0.561 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 138 | 170 | -62.2 | -25.8 | 0 | 0 | 0 | 108.5 | K324 | K324-N337 VanDerWaalsContact CG-OD1 3.25Å; K324-N337 WeakPolarHBondContact CG-OD1 3.24Å |
| 338 | V | 90.2 | Very high | 82.5 | Confident | 14 Ų | 14 | 64.2 Ų | 64.2 | 9% | 0.085 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 113.2 | 175.6 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | F321 D322 G323 V325 R341 F344 | F321-V338 HydrophobicContact CD1-CB 3.63Å; F321-V338 HydrophobicContact CD1-CG1 3.73Å; F321-V338 HydrophobicContact CD1-CG2 4.15Å; F321-V338 HydrophobicContact CE1-CB 3.73Å; F321-V338 HydrophobicContact CE1-CG1 4.35Å; F321-V338 HydrophobicContact CE1-CG2 3.99Å; D322-V338 WeakPolarHBondContact CA-O 3.34Å; G323-V338 PolarHBondContact N-O 3.3Å; G323-V338 PolarHBondContact O-N 3.45Å; V325-V338 HydrophobicContact CG2-CG2 3.77Å; V338-R341 HydrophobicContact CG1-CB 3.76Å; V338-R341 HydrophobicContact CG1-CG 3.8Å; V338-F344 HydrophobicContact CG1-CB 4.02Å; V338-F344 HydrophobicContact CG1-CD1 3.9Å; V338-F344 HydrophobicContact CG1-CD2 4.41Å; V338-F344 HydrophobicContact CG1-CE1 4.48Å; V338-F344 HydrophobicContact CG1-CG 3.86Å; V338-F344 HydrophobicContact CG2-CB 4.46Å; V338-F344 HydrophobicContact CG2-CD2 3.8Å; V338-F344 HydrophobicContact CG2-CE2 4.18Å; V338-F344 HydrophobicContact CG2-CG 4.08Å |
| 339 | D | 88.5 | Confident | 83.2 | Confident | 121 Ų | 121 | 63.5 Ų | 63.5 | 65% | 0.647 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 105.2 | -176.8 | -54.1 | -33 | 0 | 0 | 0 | 110.2 | R341 | D339-R341 WeakPolarHBondContact O-CG 3.22Å; D339-R341 PolarHBondContact O-N 3.28Å |
| 340 | K | 86.3 | Confident | 83.8 | Confident | 88 Ų | 88 | 57.4 Ų | 57.4 | 38% | 0.383 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 43.9 | 62.9 | 172.7 | -60.1 | -175.8 | -177.1 | -176.5 | 0 | 115 | V320 F321 D322 | V320-K340 HydrophobicContact CG1-CB 3.69Å; V320-K340 HydrophobicContact CG1-CG 4.14Å; F321-K340 CarbonylContact O-C 3.55Å; F321-K340 VanDerWaalsContact O-CA 3.25Å; F321-K340 WeakPolarHBondContact O-CA 3.42Å; F321-K340 PolarHBondContact O-N 3.39Å; D322-K340 HydrophobicContact CB-CG 3.96Å; D322-K340 VanDerWaalsContact CG-CG 3.41Å; D322-K340 PolarHBondContact OD1-N 3.21Å; D322-K340 WeakPolarHBondContact OD2-CE 3.35Å; D322-K340 VanDerWaalsContact OD2-CG 3.27Å; D322-K340 WeakPolarHBondContact OD2-CG 3.18Å |
| 341 | R | 90.1 | Very high | 84.2 | Confident | 149 Ų | 149 | 62 Ų | 62 | 56% | 0.562 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 144 | 179.6 | -60.4 | -60.9 | -179 | 152.3 | 0.8 | 112.6 | F321 V338 D339 F344 | F321-R341 PolarHBondContact N-O 2.83Å; F321-R341 PolarHBondContact O-N 2.89Å; V338-R341 HydrophobicContact CG1-CB 3.76Å; V338-R341 HydrophobicContact CG1-CG 3.8Å; D339-R341 WeakPolarHBondContact O-CG 3.22Å; D339-R341 PolarHBondContact O-N 3.28Å; R341-F344 HydrophobicContact CB-CB 4.37Å; R341-F344 HydrophobicContact CB-CD1 4.39Å |
| 342 | F | 89.6 | Confident | 84.2 | Confident | 23 Ų | 23 | 63.5 Ų | 63.5 | 10% | 0.101 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -33.8 | 165.4 | -69.5 | -80 | 0 | 0 | 0 | 112 | R174 K189 Y190 R316 S317 N318 N319 V320 | R174-F342 VanDerWaalsContact NE-CE1 3.34Å; R174-F342 VanDerWaalsContact NH2-CD1 3.31Å; K189-F342 VanDerWaalsContact O-CE2 3.23Å; K189-F342 WeakPolarHBondContact O-CE2 3.31Å; Y190-F342 AromaticContact CD1-CE2 3.58Å; Y190-F342 HydrophobicContact CD1-CE2 3.58Å; Y190-F342 AromaticContact CD1-CZ 3.62Å; Y190-F342 HydrophobicContact CD1-CZ 3.62Å; Y190-F342 AromaticContact CE1-CE2 3.66Å; Y190-F342 HydrophobicContact CE1-CE2 3.66Å; Y190-F342 HydrophobicContact CE1-CZ 4.1Å; R316-F342 CarbonylContact C-O 2.95Å; S317-F342 PolarHBondContact N-O 3.45Å; N318-F342 WeakPolarHBondContact O-CE1 3.25Å; N319-F342 WeakPolarHBondContact O-CD1 3.5Å; V320-F342 HydrophobicContact CG2-CD1 4.43Å; V320-F342 HydrophobicContact CG2-CD2 4.45Å; V320-F342 HydrophobicContact CG2-CE1 3.76Å; V320-F342 HydrophobicContact CG2-CE2 3.79Å; V320-F342 HydrophobicContact CG2-CZ 3.41Å; V320-F342 VanDerWaalsContact CG2-CZ 3.41Å |
| 343 | D | 91.5 | Very high | 83.9 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 30% | 0.299 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 131 | -179.6 | -50 | -97.2 | 0 | 0 | 0 | 109 | F315 R316 | F315-D343 VanDerWaalsContact O-CA 3.26Å; F315-D343 WeakPolarHBondContact O-CA 3.46Å; R316-D343 VanDerWaalsContact CB-OD1 3.3Å; R316-D343 WeakPolarHBondContact CB-OD1 3.41Å; R316-D343 WeakPolarHBondContact CG-OD1 3.23Å; R316-D343 IonicContact CZ-OD1 3.18Å; R316-D343 IonicContact NE-OD1 2.76Å; R316-D343 PolarHBondContact NE-OD1 2.89Å |
| 344 | F | 93.7 | Very high | 83.5 | Confident | 17 Ų | 17 | 65.6 Ų | 65.6 | 8% | 0.075 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 153.9 | -179.7 | 60.7 | -87.9 | 0 | 0 | 0 | 111.6 | F315 F321 V325 V338 R341 V346 L372 | F315-F344 HydrophobicContact CB-CD1 4.13Å; F315-F344 HydrophobicContact CB-CD2 4.1Å; F315-F344 HydrophobicContact CB-CE1 3.74Å; F315-F344 HydrophobicContact CB-CE2 3.7Å; F315-F344 HydrophobicContact CB-CG 4.3Å; F315-F344 HydrophobicContact CB-CZ 3.51Å; F315-F344 HydrophobicContact CD1-CE2 4.49Å; F315-F344 HydrophobicContact CD1-CZ 4.27Å; F315-F344 HydrophobicContact CD2-CD2 4.08Å; F315-F344 AromaticContact CD2-CE2 3.56Å; F315-F344 HydrophobicContact CD2-CE2 3.56Å; F315-F344 HydrophobicContact CD2-CZ 4.11Å; F315-F344 HydrophobicContact CE2-CE2 4.3Å; F315-F344 HydrophobicContact CG-CD2 4.36Å; F315-F344 HydrophobicContact CG-CE1 4.44Å; F315-F344 AromaticContact CG-CE2 3.67Å; F315-F344 HydrophobicContact CG-CE2 3.67Å; F315-F344 AromaticContact CG-CZ 3.72Å; F315-F344 HydrophobicContact CG-CZ 3.72Å; F315-F344 PolarHBondContact N-O 2.9Å; F315-F344 PolarHBondContact O-N 2.79Å; F321-F344 HydrophobicContact CB-CD1 4.5Å; F321-F344 HydrophobicContact CB-CE1 3.8Å; F321-F344 HydrophobicContact CD1-CD1 4.28Å; F321-F344 AromaticContact CD1-CE1 3.58Å; F321-F344 HydrophobicContact CD1-CE1 3.58Å; F321-F344 HydrophobicContact CD1-CE2 4.35Å; F321-F344 AromaticContact CD1-CZ 3.62Å; F321-F344 HydrophobicContact CD1-CZ 3.62Å; F321-F344 HydrophobicContact CE1-CE1 4.47Å; F321-F344 HydrophobicContact CE1-CZ 4.08Å; F321-F344 AromaticContact CG-CE1 3.89Å; F321-F344 HydrophobicContact CG-CE1 3.89Å; F321-F344 HydrophobicContact CG-CZ 4.14Å; V325-F344 HydrophobicContact CG2-CE2 3.91Å; V338-F344 HydrophobicContact CG1-CB 4.02Å; V338-F344 HydrophobicContact CG1-CD1 3.9Å; V338-F344 HydrophobicContact CG1-CD2 4.41Å; V338-F344 HydrophobicContact CG1-CE1 4.48Å; V338-F344 HydrophobicContact CG1-CG 3.86Å; V338-F344 HydrophobicContact CG2-CB 4.46Å; V338-F344 HydrophobicContact CG2-CD2 3.8Å; V338-F344 HydrophobicContact CG2-CE2 4.18Å; V338-F344 HydrophobicContact CG2-CG 4.08Å; R341-F344 HydrophobicContact CB-CB 4.37Å; R341-F344 HydrophobicContact CB-CD1 4.39Å; F344-V346 HydrophobicContact CD2-CG2 3.95Å; F344-V346 HydrophobicContact CE2-CG2 3.92Å; F344-L372 HydrophobicContact CE2-CD2 4.21Å; F344-L372 HydrophobicContact CZ-CD1 4.22Å; F344-L372 HydrophobicContact CZ-CD2 4.09Å |
| 345 | N | 93.1 | Very high | 83 | Confident | 100 Ų | 100 | 73.2 Ų | 73.2 | 54% | 0.535 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 140.9 | 178.2 | -70.1 | -28.3 | 0 | 0 | 0 | 110.5 | T312 A313 H314 | T312-N345 HydrophobicContact CG2-CB 4.31Å; A313-N345 CarbonylContact O-C 3.53Å; A313-N345 WeakPolarHBondContact O-CA 3.48Å; H314-N345 WeakPolarHBondContact CA-OD1 3.3Å; H314-N345 VanDerWaalsContact CB-OD1 3.26Å; H314-N345 WeakPolarHBondContact CB-OD1 3.34Å; H314-N345 PolarHBondContact CD2-OD1 3.26Å; H314-N345 VanDerWaalsContact CG-OD1 3.26Å |
| 346 | V | 90 | Very high | 82.6 | Confident | 2 Ų | 2 | 69.7 Ų | 69.7 | 1% | 0.012 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 115.4 | 172 | -176.2 | 0 | 0 | 0 | 0 | 107.6 | T312 A313 F315 V325 F336 F344 I348 I370 | T312-V346 CarbonylContact C-O 3.56Å; T312-V346 WeakPolarHBondContact CA-O 3.11Å; A313-V346 PolarHBondContact N-O 3.15Å; A313-V346 PolarHBondContact O-N 2.97Å; F315-V346 HydrophobicContact CD2-CG2 3.83Å; F315-V346 HydrophobicContact CE2-CB 4.11Å; F315-V346 HydrophobicContact CE2-CG2 3.6Å; V325-V346 HydrophobicContact CB-CG2 4.34Å; V325-V346 HydrophobicContact CG1-CB 4.47Å; V325-V346 HydrophobicContact CG1-CG1 3.9Å; V325-V346 HydrophobicContact CG1-CG2 3.76Å; V325-V346 HydrophobicContact CG2-CG2 4.1Å; F336-V346 HydrophobicContact CD2-CG1 3.9Å; F336-V346 HydrophobicContact CE2-CG1 3.86Å; F344-V346 HydrophobicContact CD2-CG2 3.95Å; F344-V346 HydrophobicContact CE2-CG2 3.92Å; V346-I348 HydrophobicContact CG1-CG1 4.32Å; V346-I370 HydrophobicContact CB-CD1 4.38Å; V346-I370 HydrophobicContact CG1-CD1 3.93Å |
| 347 | T | 89.6 | Confident | 82.1 | Confident | 57 Ų | 57 | 67.4 Ų | 67.4 | 35% | 0.35 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 115.3 | -178.2 | -58.7 | 0 | 0 | 0 | 0 | 109.7 | H310 I311 T312 F336 | H310-T347 HydrophobicContact CB-CG2 3.67Å; I311-T347 WeakPolarHBondContact O-CA 3.23Å; T312-T347 PolarHBondContact OG1-OG1 2.99Å; F336-T347 VanDerWaalsContact CZ-O 3.31Å; F336-T347 WeakPolarHBondContact CZ-O 3.4Å |
| 348 | I | 87 | Confident | 81.9 | Confident | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 115.7 | 178.7 | -56.9 | 177.4 | 0 | 0 | 0 | 108.4 | H310 I311 V346 C356 I358 T368 I370 | H310-I348 CarbonylContact C-O 3.49Å; H310-I348 WeakPolarHBondContact CA-O 3.47Å; H310-I348 WeakPolarHBondContact CB-O 3.28Å; I311-I348 PolarHBondContact N-O 3.37Å; I311-I348 PolarHBondContact O-N 3.36Å; V346-I348 HydrophobicContact CG1-CG1 4.32Å; I348-C356 HydrophobicContact CG2-CB 3.52Å; I348-I358 HydrophobicContact CG2-CD1 3.81Å; I348-I358 HydrophobicContact CG2-CG1 4.14Å; I348-T368 HydrophobicContact CD1-CG2 3.78Å; I348-I370 HydrophobicContact CD1-CD1 3.72Å; I348-I370 HydrophobicContact CD1-CG1 3.85Å |
| 349 | P | 84.7 | Confident | 81.5 | Confident | 38 Ų | 38 | 64.8 Ų | 64.8 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 135.9 | -179.2 | 34.7 | -37.8 | 0 | 0 | 0 | 111.1 | H309 D351 K352 | H309-P349 CarbonylContact O-C 3.57Å; H309-P349 WeakPolarHBondContact O-CA 3.34Å; P349-D351 WeakPolarHBondContact CB-OD1 3.49Å; P349-K352 HydrophobicContact CG-CB 4.3Å; P349-K352 HydrophobicContact CG-CD 3.98Å; P349-K352 HydrophobicContact CG-CG 4.43Å |
| 350 | L | 80.2 | Confident | 81.2 | Confident | 28 Ų | 28 | 64.3 Ų | 64.3 | 15% | 0.147 | 33% | 0.33 | C | S | . | . | G | 310 helix | trans | -76.4 | -27.4 | -176.3 | -69 | 172.9 | 0 | 0 | 0 | 112.8 | H309 I311 K352 T353 I358 V366 Y392 | H309-L350 PolarHBondContact O-N 2.88Å; I311-L350 HydrophobicContact CD1-CD2 3.85Å; I311-L350 HydrophobicContact CG1-CD2 3.76Å; I311-L350 HydrophobicContact CG1-CG 4.45Å; L350-K352 PolarHBondContact O-N 3.01Å; L350-K352 VanDerWaalsContact O-N 3.12Å; L350-T353 WeakPolarHBondContact O-CG2 3.5Å; L350-T353 PolarHBondContact O-N 3.26Å; L350-I358 HydrophobicContact CD2-CD1 4.02Å; L350-V366 HydrophobicContact CD2-CG2 4.32Å; L350-Y392 HydrophobicContact CD1-CE1 4.39Å; L350-Y392 HydrophobicContact CD1-CE2 4.03Å; L350-Y392 WeakPolarHBondContact CD1-OH 3.21Å; L350-Y392 HydrophobicContact CD2-CE2 4.34Å |
| 351 | D | 73.1 | Confident | 80.9 | Confident | 131 Ų | 131 | 64.6 Ų | 64.6 | 70% | 0.701 | 34% | 0.338 | S | S | * | . | G | 310 helix | trans | -61.1 | -19.8 | 176.9 | 67.3 | -20.1 | 0 | 0 | 0 | 112.7 | P349 | P349-D351 WeakPolarHBondContact CB-OD1 3.49Š|
| 352 | K | 63.3 | Low | 80.3 | Confident | 88 Ų | 88 | 60 Ų | 60 | 38% | 0.383 | 33% | 0.333 | S | S | . | . | G | 310 helix | trans | -102.2 | 36.6 | 177.5 | -72.1 | -178.3 | -169.4 | 176.6 | 0 | 112.2 | P349 L350 I354 R355 C356 | P349-K352 HydrophobicContact CG-CB 4.3Å; P349-K352 HydrophobicContact CG-CD 3.98Å; P349-K352 HydrophobicContact CG-CG 4.43Å; L350-K352 PolarHBondContact O-N 3.01Å; L350-K352 VanDerWaalsContact O-N 3.12Å; K352-I354 PolarHBondContact O-N 2.78Å; K352-I354 VanDerWaalsContact O-N 3.09Å; K352-R355 HydrophobicContact CB-CB 4.17Å; K352-R355 PolarHBondContact O-N 2.89Å; K352-C356 PolarHBondContact O-N 3.04Å |
| 353 | T | 61 | Low | 79.6 | Confident | 64 Ų | 64 | 64.4 Ų | 64.4 | 39% | 0.393 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -45.1 | -48.5 | -175.9 | 51.3 | 0 | 0 | 0 | 0 | 113.1 | L350 I358 | L350-T353 WeakPolarHBondContact O-CG2 3.5Å; L350-T353 PolarHBondContact O-N 3.26Å; T353-I358 HydrophobicContact CG2-CG2 4.48Å; T353-I358 PolarHBondContact O-N 2.92Å |
| 354 | I | 61.8 | Low | 78.9 | Confident | 150 Ų | 150 | 63.2 Ų | 63.2 | 77% | 0.769 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71 | -39.6 | 179.6 | -59.5 | 172.2 | 0 | 0 | 0 | 111.8 | K352 | K352-I354 PolarHBondContact O-N 2.78Å; K352-I354 VanDerWaalsContact O-N 3.09Å |
| 355 | R | 69.6 | Low | 78.5 | Confident | 162 Ų | 162 | 64.5 Ų | 64.5 | 61% | 0.611 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -25.3 | -172.4 | -69.1 | -170.4 | -127.4 | -146.8 | 0.8 | 113.9 | S330 S331 C334 K352 | S330-R355 CarbonylContact C-O 3.59Å; S330-R355 WeakPolarHBondContact CA-O 2.99Å; S330-R355 WeakPolarHBondContact CB-O 2.97Å; S331-R355 PolarHBondContact N-O 3.46Å; S331-R355 PolarHBondContact OG-O 2.86Å; C334-R355 PolarHBondContact SG-O 3.23Å; C334-R355 VanDerWaalsContact SG-O 3.33Å; K352-R355 HydrophobicContact CB-CB 4.17Å; K352-R355 PolarHBondContact O-N 2.89Å |
| 356 | C | 75.7 | Confident | 78.2 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.02 | 36% | 0.357 | C | S | . | . | B | Isolated β-bridge | trans | -109.4 | 21.6 | 179.6 | -63.4 | 0 | 0 | 0 | 0 | 113.8 | S327 C334 I348 K352 I358 | S327-C356 PolarHBondContact OG-O 3.27Å; C334-C356 HydrophobicContact CB-CB 3.8Å; C334-C356 WeakPolarHBondContact CB-SG 3.49Å; C334-C356 WeakPolarHBondContact SG-CA 2.94Å; C334-C356 WeakPolarHBondContact SG-CB 3.01Å; C334-C356 CovalentContact SG-SG 2.03Å; C334-C356 PolarHBondContact SG-SG 2.79Å; I348-C356 HydrophobicContact CG2-CB 3.52Å; K352-C356 PolarHBondContact O-N 3.04Å; C356-I358 PolarHBondContact O-N 2.79Å |
| 357 | G | 77 | Confident | 78.1 | Confident | 18 Ų | 18 | 61 Ų | 61 | 19% | 0.186 | 36% | 0.356 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64 | 25.8 | 174 | 0 | 0 | 0 | 0 | 0 | 114.5 | L328 S359 | L328-G357 WeakPolarHBondContact O-CA 3.35Å; G357-S359 PolarHBondContact O-N 2.05Å |
| 358 | I | 83.4 | Confident | 77.9 | Confident | 14 Ų | 14 | 58.3 Ų | 58.3 | 7% | 0.072 | 34% | 0.34 | C | S | . | . | trans | -79 | 122.4 | 174.2 | -61.2 | 162.1 | 0 | 0 | 0 | 107.6 | I348 L350 T353 C356 V366 S367 | I348-I358 HydrophobicContact CG2-CD1 3.81Å; I348-I358 HydrophobicContact CG2-CG1 4.14Å; L350-I358 HydrophobicContact CD2-CD1 4.02Å; T353-I358 HydrophobicContact CG2-CG2 4.48Å; T353-I358 PolarHBondContact O-N 2.92Å; C356-I358 PolarHBondContact O-N 2.79Å; I358-V366 HydrophobicContact CG2-CB 3.82Å; I358-V366 HydrophobicContact CG2-CG1 4.33Å; I358-V366 HydrophobicContact CG2-CG2 4.37Å; I358-S367 WeakPolarHBondContact CA-O 3.36Å | ||
| 359 | S | 83.5 | Confident | 77.7 | Confident | 51 Ų | 51 | 60.5 Ų | 60.5 | 36% | 0.357 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 132.7 | 179.4 | 54.1 | 0 | 0 | 0 | 0 | 110.3 | G357 S367 | G357-S359 PolarHBondContact O-N 2.05Å; S359-S367 PolarHBondContact N-O 2.94Å; S359-S367 PolarHBondContact O-N 3.33Å; S359-S367 PolarHBondContact OG-O 3.48Å; S359-S367 PolarHBondContact OG-OG 3.38Å |
| 360 | P | 81 | Confident | 77.9 | Confident | 111 Ų | 111 | 58.7 Ų | 58.7 | 72% | 0.721 | 34% | 0.34 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 132.1 | 168.8 | 29.2 | -32.1 | 0 | 0 | 0 | 109.3 | ||
| 361 | V | 79.6 | Confident | 78.1 | Confident | 93 Ų | 93 | 57.5 Ų | 57.5 | 56% | 0.564 | 33% | 0.333 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98 | -40.7 | 175.6 | -179.7 | 0 | 0 | 0 | 0 | 110.5 | I365 S367 | V361-I365 HydrophobicContact CB-CG2 4.13Å; V361-I365 PolarHBondContact N-O 3.37Å; V361-S367 WeakPolarHBondContact CG2-OG 3.3Å |
| 362 | A | 78 | Confident | 78.8 | Confident | 53 Ų | 53 | 51.2 Ų | 51.2 | 44% | 0.438 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 174.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 109 | G364 I365 | A362-G364 PolarHBondContact O-N 3.39Å; A362-G364 VanDerWaalsContact O-N 3.15Å; A362-I365 HydrophobicContact CB-CB 4.24Å; A362-I365 HydrophobicContact CB-CD1 4.2Å; A362-I365 HydrophobicContact CB-CG1 4.37Å; A362-I365 PolarHBondContact N-O 3.4Å; A362-I365 PolarHBondContact O-N 2.98Å; A362-I365 VanDerWaalsContact O-O 3.1Å |
| 363 | S | 75.3 | Confident | 79.9 | Confident | 115 Ų | 115 | 47.7 Ų | 47.7 | 80% | 0.804 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | 122.2 | 174.4 | -170.9 | 0 | 0 | 0 | 0 | 110.6 | I365 T393 | S363-I365 PolarHBondContact O-N 3.49Å; S363-T393 WeakPolarHBondContact O-CG2 3.49Å |
| 364 | G | 76.9 | Confident | 80.9 | Confident | 31 Ų | 31 | 46.6 Ų | 46.6 | 32% | 0.32 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -5.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | A362 Y392 T393 | A362-G364 PolarHBondContact O-N 3.39Å; A362-G364 VanDerWaalsContact O-N 3.15Å; G364-Y392 WeakPolarHBondContact O-CA 3.13Å; G364-Y392 WeakPolarHBondContact O-CB 3.34Å; G364-Y392 PolarHBondContact O-N 3.09Å; G364-T393 PolarHBondContact O-N 2.9Å |
| 365 | I | 84.7 | Confident | 81.5 | Confident | 45 Ų | 45 | 43.5 Ų | 43.5 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 121.6 | 179.8 | -54.8 | -178.8 | 0 | 0 | 0 | 109.9 | V361 A362 S363 I389 C390 N391 | V361-I365 HydrophobicContact CB-CG2 4.13Å; V361-I365 PolarHBondContact N-O 3.37Å; A362-I365 HydrophobicContact CB-CB 4.24Å; A362-I365 HydrophobicContact CB-CD1 4.2Å; A362-I365 HydrophobicContact CB-CG1 4.37Å; A362-I365 PolarHBondContact N-O 3.4Å; A362-I365 PolarHBondContact O-N 2.98Å; A362-I365 VanDerWaalsContact O-O 3.1Å; S363-I365 PolarHBondContact O-N 3.49Å; I365-I389 HydrophobicContact CG2-CG2 3.74Å; I365-C390 WeakPolarHBondContact CA-O 3.44Å; I365-N391 HydrophobicContact CG1-CB 4.29Å |
| 366 | V | 87.4 | Confident | 81.4 | Confident | 27 Ų | 27 | 40.8 Ų | 40.8 | 16% | 0.164 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 148.4 | 175.1 | -59.9 | 0 | 0 | 0 | 0 | 110.5 | I311 L350 I358 I389 C390 Y392 | I311-V366 HydrophobicContact CD1-CG2 3.93Å; L350-V366 HydrophobicContact CD2-CG2 4.32Å; I358-V366 HydrophobicContact CG2-CB 3.82Å; I358-V366 HydrophobicContact CG2-CG1 4.33Å; I358-V366 HydrophobicContact CG2-CG2 4.37Å; V366-I389 WeakPolarHBondContact O-CA 3.41Å; V366-C390 HydrophobicContact CG2-CB 3.94Å; V366-C390 PolarHBondContact N-O 2.79Å; V366-C390 PolarHBondContact O-N 2.98Å; V366-Y392 HydrophobicContact CG2-CD2 3.93Å; V366-Y392 HydrophobicContact CG2-CE2 3.6Å |
| 367 | S | 86.9 | Confident | 80.9 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 149.3 | 173.8 | 78.1 | 0 | 0 | 0 | 0 | 112.4 | I358 S359 V361 R387 L388 | I358-S367 WeakPolarHBondContact CA-O 3.36Å; S359-S367 PolarHBondContact N-O 2.94Å; S359-S367 PolarHBondContact O-N 3.33Å; S359-S367 PolarHBondContact OG-O 3.48Å; S359-S367 PolarHBondContact OG-OG 3.38Å; V361-S367 WeakPolarHBondContact CG2-OG 3.3Å; S367-R387 PolarHBondContact OG-NH1 2.61Å; S367-L388 CarbonylContact C-O 3.48Å; S367-L388 WeakPolarHBondContact CA-O 3.46Å; S367-L388 WeakPolarHBondContact CB-O 3.32Å |
| 368 | T | 85.3 | Confident | 80.3 | Confident | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.006 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 148.2 | 173.7 | -180 | 0 | 0 | 0 | 0 | 109.2 | I311 S327 I348 R387 L388 | I311-T368 HydrophobicContact CD1-CG2 4.32Å; S327-T368 PolarHBondContact OG-OG1 2.97Å; I348-T368 HydrophobicContact CD1-CG2 3.78Å; T368-R387 CarbonylContact O-C 3.32Å; T368-R387 WeakPolarHBondContact O-CA 3.35Å; T368-L388 HydrophobicContact CG2-CB 3.86Å; T368-L388 HydrophobicContact CG2-CD1 4.13Å; T368-L388 HydrophobicContact CG2-CG 4.16Å; T368-L388 PolarHBondContact N-O 2.81Å; T368-L388 PolarHBondContact O-N 3.12Å |
| 369 | L | 84.2 | Confident | 79.6 | Confident | 48 Ų | 48 | 58.5 Ų | 58.5 | 25% | 0.251 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 112.3 | -177 | -174.7 | 63.3 | 0 | 0 | 0 | 109.3 | L328 F385 R387 | L328-L369 HydrophobicContact CB-CB 4.43Å; L328-L369 HydrophobicContact CD1-CD2 3.39Å; L328-L369 HydrophobicContact CD1-CG 3.82Å; L328-L369 HydrophobicContact CG-CD2 4.47Å; L328-L369 PolarHBondContact N-O 3.07Å; L369-F385 HydrophobicContact CD1-CB 4.19Å; L369-R387 HydrophobicContact CD1-CB 3.97Å |
| 370 | I | 87.3 | Confident | 78.8 | Confident | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 132.8 | 178.8 | -62.7 | -176.5 | 0 | 0 | 0 | 109.1 | F315 V325 V346 I348 L372 F385 Y386 L388 | F315-I370 HydrophobicContact CZ-CD1 4.5Å; F315-I370 HydrophobicContact CZ-CG2 4.33Å; V325-I370 HydrophobicContact CG1-CG2 3.32Å; V346-I370 HydrophobicContact CB-CD1 4.38Å; V346-I370 HydrophobicContact CG1-CD1 3.93Å; I348-I370 HydrophobicContact CD1-CD1 3.72Å; I348-I370 HydrophobicContact CD1-CG1 3.85Å; I370-L372 HydrophobicContact CG2-CD2 4.38Å; I370-F385 CarbonylContact O-C 3.49Å; I370-F385 WeakPolarHBondContact O-CA 3.28Å; I370-Y386 PolarHBondContact N-O 2.92Å; I370-Y386 PolarHBondContact O-N 3.42Å; I370-L388 HydrophobicContact CD1-CD1 3.33Å; I370-L388 HydrophobicContact CD1-CD2 4.31Å; I370-L388 HydrophobicContact CD1-CG 3.81Å; I370-L388 HydrophobicContact CG1-CD1 4.15Å; I370-L388 HydrophobicContact CG1-CG 4.19Å |
| 371 | K | 85.1 | Confident | 78.2 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.009 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 128.3 | 169.8 | -176.7 | -173.2 | -179 | -168.4 | 0 | 109.6 | V325 L326 L328 W379 D383 R384 F385 | V325-K371 WeakPolarHBondContact CA-O 3.37Å; L326-K371 HydrophobicContact CB-CB 4.32Å; L326-K371 HydrophobicContact CD1-CD 4.42Å; L326-K371 PolarHBondContact N-O 2.82Å; L326-K371 PolarHBondContact O-N 2.83Å; L328-K371 HydrophobicContact CG-CB 4.44Å; K371-W379 VanDerWaalsContact NZ-CD2 3.3Å; K371-D383 WeakPolarHBondContact CE-OD2 3.31Å; K371-D383 IonicContact NZ-OD2 2.68Å; K371-D383 PolarHBondContact NZ-OD2 3.46Å; K371-R384 CarbonylContact C-O 3.59Å; K371-R384 WeakPolarHBondContact CA-O 3.44Å; K371-F385 HydrophobicContact CB-CD1 3.81Å; K371-F385 HydrophobicContact CB-CE1 3.73Å; K371-F385 HydrophobicContact CD-CD1 4.5Å; K371-F385 HydrophobicContact CD-CE1 3.62Å; K371-F385 HydrophobicContact CD-CZ 3.86Å; K371-F385 HydrophobicContact CG-CD1 3.9Å; K371-F385 HydrophobicContact CG-CE1 3.49Å; K371-F385 VanDerWaalsContact CG-CE1 3.49Å; K371-F385 HydrophobicContact CG-CZ 3.98Å |
| 372 | L | 88.7 | Confident | 77.8 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.4 | 162.5 | -58.3 | -170.3 | 0 | 0 | 0 | 108.6 | M300 F315 F321 V325 F344 I370 Y374 D383 R384 Y386 | M300-L372 HydrophobicContact CE-CD1 3.7Å; M300-L372 HydrophobicContact SD-CD1 3.34Å; M300-L372 WeakPolarHBondContact SD-CD1 3.14Å; F315-L372 HydrophobicContact CD1-CD1 4.19Å; F315-L372 HydrophobicContact CE1-CD1 4.15Å; F315-L372 HydrophobicContact CE1-CD2 4.45Å; F321-L372 HydrophobicContact CE1-CD2 4.41Å; F321-L372 HydrophobicContact CE2-CB 3.92Å; F321-L372 HydrophobicContact CZ-CB 4.02Å; F321-L372 HydrophobicContact CZ-CD2 4.19Å; V325-L372 HydrophobicContact CB-CD2 4.29Å; V325-L372 HydrophobicContact CG1-CD2 4.02Å; V325-L372 HydrophobicContact CG2-CD2 3.67Å; F344-L372 HydrophobicContact CE2-CD2 4.21Å; F344-L372 HydrophobicContact CZ-CD1 4.22Å; F344-L372 HydrophobicContact CZ-CD2 4.09Å; I370-L372 HydrophobicContact CG2-CD2 4.38Å; L372-Y374 HydrophobicContact CB-CE2 4.4Å; L372-D383 VanDerWaalsContact O-CA 3.3Å; L372-D383 WeakPolarHBondContact O-CA 3.38Å; L372-D383 WeakPolarHBondContact O-CB 2.91Å; L372-R384 PolarHBondContact N-O 2.03Å; L372-R384 PolarHBondContact O-N 3.34Å; L372-R384 VanDerWaalsContact O-N 3.11Å; L372-Y386 HydrophobicContact CD1-CD2 4.27Å; L372-Y386 HydrophobicContact CD1-CE2 3.64Å; L372-Y386 HydrophobicContact CG-CD2 4.17Å; L372-Y386 HydrophobicContact CG-CE2 3.97Å |
| 373 | Q | 85.2 | Confident | 77.7 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 119.2 | 179.2 | 179.7 | 177.4 | 8 | 0 | 0 | 109.5 | G323 K324 L326 H375 V378 | G323-Q373 WeakPolarHBondContact CA-O 3.11Å; K324-Q373 HydrophobicContact CB-CB 4.41Å; K324-Q373 PolarHBondContact N-O 2.82Å; K324-Q373 PolarHBondContact O-N 2.85Å; L326-Q373 HydrophobicContact CD1-CB 4.39Å; Q373-H375 WeakPolarHBondContact CG-O 3.46Å; Q373-H375 PolarHBondContact NE2-O 2.71Å; Q373-V378 PolarHBondContact NE2-O 3.33Å |
| 374 | Y | 82.9 | Confident | 78 | Confident | 42 Ų | 42 | 56.2 Ų | 56.2 | 17% | 0.165 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -87.6 | -10.9 | -174.9 | -76.8 | -105.7 | 0 | 0 | 0 | 113.8 | E298 M300 F321 L372 K382 D383 | E298-Y374 PolarHBondContact OE1-OH 3.28Å; M300-Y374 WeakPolarHBondContact CE-OH 3.43Å; F321-Y374 HydrophobicContact CD2-CD1 4.1Å; F321-Y374 HydrophobicContact CD2-CD2 4.44Å; F321-Y374 AromaticContact CD2-CE1 3.69Å; F321-Y374 HydrophobicContact CD2-CE1 3.69Å; F321-Y374 HydrophobicContact CD2-CE2 4.03Å; F321-Y374 HydrophobicContact CD2-CG 4.47Å; F321-Y374 AromaticContact CD2-CZ 3.64Å; F321-Y374 HydrophobicContact CE2-CD1 4.25Å; F321-Y374 AromaticContact CE2-CD2 3.96Å; F321-Y374 HydrophobicContact CE2-CD2 3.96Å; F321-Y374 HydrophobicContact CE2-CE1 4.17Å; F321-Y374 AromaticContact CE2-CE2 3.82Å; F321-Y374 HydrophobicContact CE2-CE2 3.82Å; F321-Y374 HydrophobicContact CE2-CG 4.17Å; F321-Y374 AromaticContact CE2-CZ 3.94Å; L372-Y374 HydrophobicContact CB-CE2 4.4Å; Y374-K382 HydrophobicContact CD2-CB 4.11Å; Y374-K382 WeakPolarHBondContact CD2-O 3.38Å; Y374-K382 WeakPolarHBondContact CE2-O 3.35Å; Y374-K382 HydrophobicContact CG-CB 4.21Å; Y374-D383 PolarHBondContact N-OD1 3.48Å; Y374-D383 VanDerWaalsContact N-OD1 3.17Å |
| 375 | H | 74 | Confident | 78.3 | Confident | 85 Ų | 85 | 59.9 Ų | 59.9 | 39% | 0.394 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -132.5 | 135.7 | -179.2 | -176.4 | -68.7 | 0 | 0 | 0 | 110.2 | Q373 I377 V378 T380 | Q373-H375 WeakPolarHBondContact CG-O 3.46Å; Q373-H375 PolarHBondContact NE2-O 2.71Å; H375-I377 VanDerWaalsContact C-N 3.28Å; H375-I377 PolarHBondContact ND1-N 3.05Å; H375-I377 VanDerWaalsContact ND1-N 3.1Å; H375-I377 PolarHBondContact O-N 2.97Å; H375-V378 HydrophobicContact CB-CG2 4.11Å; H375-V378 WeakPolarHBondContact ND1-CG2 3.46Å; H375-V378 PolarHBondContact ND1-N 2.64Å; H375-V378 VanDerWaalsContact ND1-N 3.14Å; H375-T380 HydrophobicContact CB-CG2 3.94Å |
| 376 | D | 67.1 | Low | 78.4 | Confident | 105 Ų | 105 | 59.5 Ų | 59.5 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -59.6 | -33.8 | -170 | -83.2 | -43.9 | 0 | 0 | 0 | 115.6 | K324 | K324-D376 WeakPolarHBondContact CE-OD1 3.46Å; K324-D376 IonicContact NZ-OD1 3.46Å; K324-D376 PolarHBondContact NZ-OD1 3.01Å |
| 377 | I | 66 | Low | 78.3 | Confident | 143 Ų | 143 | 65.6 Ų | 65.6 | 73% | 0.733 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -112.6 | -55.7 | -172.3 | -53.7 | 172.9 | 0 | 0 | 0 | 111.6 | H375 | H375-I377 VanDerWaalsContact C-N 3.28Å; H375-I377 PolarHBondContact ND1-N 3.05Å; H375-I377 VanDerWaalsContact ND1-N 3.1Å; H375-I377 PolarHBondContact O-N 2.97Å |
| 378 | V | 63.6 | Low | 78.4 | Confident | 76 Ų | 76 | 65.7 Ų | 65.7 | 46% | 0.461 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -89.9 | 154.2 | -176.5 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | Q373 H375 T380 | Q373-V378 PolarHBondContact NE2-O 3.33Å; H375-V378 HydrophobicContact CB-CG2 4.11Å; H375-V378 WeakPolarHBondContact ND1-CG2 3.46Å; H375-V378 PolarHBondContact ND1-N 2.64Å; H375-V378 VanDerWaalsContact ND1-N 3.14Å; V378-T380 HydrophobicContact CG2-CG2 4.24Å |
| 379 | W | 68.6 | Low | 78.6 | Confident | 187 Ų | 187 | 70.4 Ų | 70.4 | 71% | 0.708 | 34% | 0.336 | S | S | * | . | trans | -87.1 | 140.8 | 167 | -62.2 | -1.1 | 0 | 0 | 0 | 108.9 | K371 D383 | K371-W379 VanDerWaalsContact NZ-CD2 3.3Å; W379-D383 WeakPolarHBondContact CA-OD2 3.46Å | ||
| 380 | T | 67.9 | Low | 78.8 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 31% | 0.307 | 32% | 0.324 | S | S | . | . | trans | -121.6 | 163.6 | -178.6 | 72.6 | 0 | 0 | 0 | 0 | 110.4 | H375 V378 K382 D383 | H375-T380 HydrophobicContact CB-CG2 3.94Å; V378-T380 HydrophobicContact CG2-CG2 4.24Å; T380-K382 PolarHBondContact O-N 3.02Å; T380-K382 VanDerWaalsContact O-N 3.12Å; T380-K382 WeakPolarHBondContact OG1-CB 3.28Å; T380-K382 PolarHBondContact OG1-N 2.93Å; T380-D383 PolarHBondContact N-OD2 2.84Å; T380-D383 WeakPolarHBondContact O-CB 3.47Å; T380-D383 PolarHBondContact O-N 3.39Å; T380-D383 PolarHBondContact OG1-OD1 3.49Å; T380-D383 VanDerWaalsContact OG1-OD1 3.12Å | ||
| 381 | T | 67.8 | Low | 78.8 | Confident | 152 Ų | 152 | 72.4 Ų | 72.4 | 93% | 0.933 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.3 | -11.5 | 170.5 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 382 | K | 71 | Confident | 78.7 | Confident | 124 Ų | 124 | 75.7 Ų | 75.7 | 54% | 0.539 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -16 | 173.1 | -62.9 | -169.8 | 173.7 | -172.2 | 0 | 113.4 | Y374 T380 R384 | Y374-K382 HydrophobicContact CD2-CB 4.11Å; Y374-K382 WeakPolarHBondContact CD2-O 3.38Å; Y374-K382 WeakPolarHBondContact CE2-O 3.35Å; Y374-K382 HydrophobicContact CG-CB 4.21Å; T380-K382 PolarHBondContact O-N 3.02Å; T380-K382 VanDerWaalsContact O-N 3.12Å; T380-K382 WeakPolarHBondContact OG1-CB 3.28Å; T380-K382 PolarHBondContact OG1-N 2.93Å; K382-R384 WeakPolarHBondContact O-CG 3.46Å; K382-R384 PolarHBondContact O-N 2.82Å |
| 383 | D | 76.3 | Confident | 77.9 | Confident | 19 Ų | 19 | 78.3 Ų | 78.3 | 10% | 0.102 | 38% | 0.376 | C | S | . | . | trans | -63.2 | 133.4 | 179.9 | -69.8 | 5.4 | 0 | 0 | 0 | 109.9 | K371 L372 Y374 W379 T380 | K371-D383 WeakPolarHBondContact CE-OD2 3.31Å; K371-D383 IonicContact NZ-OD2 2.68Å; K371-D383 PolarHBondContact NZ-OD2 3.46Å; L372-D383 VanDerWaalsContact O-CA 3.3Å; L372-D383 WeakPolarHBondContact O-CA 3.38Å; L372-D383 WeakPolarHBondContact O-CB 2.91Å; Y374-D383 PolarHBondContact N-OD1 3.48Å; Y374-D383 VanDerWaalsContact N-OD1 3.17Å; W379-D383 WeakPolarHBondContact CA-OD2 3.46Å; T380-D383 PolarHBondContact N-OD2 2.84Å; T380-D383 WeakPolarHBondContact O-CB 3.47Å; T380-D383 PolarHBondContact O-N 3.39Å; T380-D383 PolarHBondContact OG1-OD1 3.49Å; T380-D383 VanDerWaalsContact OG1-OD1 3.12Å | ||
| 384 | R | 81.1 | Confident | 76.8 | Confident | 31 Ų | 31 | 81.7 Ų | 81.7 | 12% | 0.117 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 147.6 | -176.2 | -63.7 | -166.6 | -176.8 | -179.7 | 9.8 | 111.6 | D222 E298 K371 L372 K382 Y386 | D222-R384 IonicContact OD1-CZ 3.6Å; D222-R384 IonicContact OD1-NE 3.26Å; D222-R384 IonicContact OD1-NH2 3.43Å; D222-R384 PolarHBondContact OD1-NH2 2.72Å; D222-R384 IonicContact OD2-CZ 3.92Å; D222-R384 IonicContact OD2-NE 3.59Å; D222-R384 IonicContact OD2-NH2 3.35Å; D222-R384 PolarHBondContact OD2-NH2 3.31Å; E298-R384 PolarHBondContact O-NH2 2.99Å; K371-R384 CarbonylContact C-O 3.59Å; K371-R384 WeakPolarHBondContact CA-O 3.44Å; L372-R384 PolarHBondContact N-O 2.03Å; L372-R384 PolarHBondContact O-N 3.34Å; L372-R384 VanDerWaalsContact O-N 3.11Å; K382-R384 WeakPolarHBondContact O-CG 3.46Å; K382-R384 PolarHBondContact O-N 2.82Å; R384-Y386 HydrophobicContact CB-CD2 4.45Å; R384-Y386 HydrophobicContact CB-CE2 3.69Å; R384-Y386 WeakPolarHBondContact CD-OH 3.33Å; R384-Y386 PolarHBondContact NH1-OH 3.05Å |
| 385 | F | 83.1 | Confident | 75.4 | Confident | 108 Ų | 108 | 90 Ų | 90 | 47% | 0.474 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 131.7 | 176.6 | -62 | -88.6 | 0 | 0 | 0 | 110.6 | L328 L369 I370 K371 | L328-F385 HydrophobicContact CD1-CD1 3.72Å; L328-F385 HydrophobicContact CD1-CE1 3.6Å; L328-F385 HydrophobicContact CD2-CE1 4.5Å; L328-F385 HydrophobicContact CG-CE1 4.39Å; L369-F385 HydrophobicContact CD1-CB 4.19Å; I370-F385 CarbonylContact O-C 3.49Å; I370-F385 WeakPolarHBondContact O-CA 3.28Å; K371-F385 HydrophobicContact CB-CD1 3.81Å; K371-F385 HydrophobicContact CB-CE1 3.73Å; K371-F385 HydrophobicContact CD-CD1 4.5Å; K371-F385 HydrophobicContact CD-CE1 3.62Å; K371-F385 HydrophobicContact CD-CZ 3.86Å; K371-F385 HydrophobicContact CG-CD1 3.9Å; K371-F385 HydrophobicContact CG-CE1 3.49Å; K371-F385 VanDerWaalsContact CG-CE1 3.49Å; K371-F385 HydrophobicContact CG-CZ 3.98Å |
| 386 | Y | 86.5 | Confident | 73.9 | Confident | 36 Ų | 36 | 94.2 Ų | 94.2 | 14% | 0.141 | 44% | 0.443 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 116.6 | 179 | -65 | -85.9 | 0 | 0 | 0 | 109.8 | M300 I302 F315 I370 L372 R384 L388 | M300-Y386 HydrophobicContact SD-CE2 3.96Å; M300-Y386 PolarHBondContact SD-OH 3.24Å; I302-Y386 HydrophobicContact CD1-CD1 4.42Å; I302-Y386 HydrophobicContact CD1-CG 4.44Å; I302-Y386 HydrophobicContact CG2-CD1 4.4Å; F315-Y386 HydrophobicContact CE1-CD1 4.43Å; F315-Y386 AromaticContact CE1-CD2 3.67Å; F315-Y386 HydrophobicContact CE1-CD2 3.67Å; F315-Y386 AromaticContact CE1-CE2 3.9Å; F315-Y386 HydrophobicContact CE1-CE2 3.9Å; F315-Y386 AromaticContact CE1-CG 3.94Å; F315-Y386 HydrophobicContact CE1-CG 3.94Å; F315-Y386 HydrophobicContact CZ-CD2 4.31Å; F315-Y386 HydrophobicContact CZ-CG 4.47Å; I370-Y386 PolarHBondContact N-O 2.92Å; I370-Y386 PolarHBondContact O-N 3.42Å; L372-Y386 HydrophobicContact CD1-CD2 4.27Å; L372-Y386 HydrophobicContact CD1-CE2 3.64Å; L372-Y386 HydrophobicContact CG-CD2 4.17Å; L372-Y386 HydrophobicContact CG-CE2 3.97Å; R384-Y386 HydrophobicContact CB-CD2 4.45Å; R384-Y386 HydrophobicContact CB-CE2 3.69Å; R384-Y386 WeakPolarHBondContact CD-OH 3.33Å; R384-Y386 PolarHBondContact NH1-OH 3.05Å; Y386-L388 PolarHBondContact O-N 2.85Å |
| 387 | R | 86.4 | Confident | 72.9 | Confident | 155 Ų | 155 | 93.7 Ų | 93.7 | 59% | 0.585 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 111 | 172.2 | -175.7 | 178.7 | -72.7 | -99.7 | 2.9 | 109 | S367 T368 L369 I389 | S367-R387 PolarHBondContact OG-NH1 2.61Å; T368-R387 CarbonylContact O-C 3.32Å; T368-R387 WeakPolarHBondContact O-CA 3.35Å; L369-R387 HydrophobicContact CD1-CB 3.97Å; R387-I389 HydrophobicContact CG-CG1 4.2Å |
| 388 | L | 89 | Confident | 71.7 | Confident | 3 Ų | 3 | 90.9 Ų | 90.9 | 2% | 0.016 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 138.1 | 172.3 | -46.6 | -167.8 | 0 | 0 | 0 | 109.4 | I302 V304 I311 A313 S367 T368 I370 Y386 | I302-L388 HydrophobicContact CD1-CD2 3.37Å; V304-L388 HydrophobicContact CG2-CD2 3.91Å; I311-L388 HydrophobicContact CG2-CB 4.46Å; I311-L388 HydrophobicContact CG2-CD1 3.86Å; A313-L388 HydrophobicContact CB-CD1 3.65Å; A313-L388 HydrophobicContact CB-CD2 4.19Å; S367-L388 CarbonylContact C-O 3.48Å; S367-L388 WeakPolarHBondContact CA-O 3.46Å; S367-L388 WeakPolarHBondContact CB-O 3.32Å; T368-L388 HydrophobicContact CG2-CB 3.86Å; T368-L388 HydrophobicContact CG2-CD1 4.13Å; T368-L388 HydrophobicContact CG2-CG 4.16Å; T368-L388 PolarHBondContact N-O 2.81Å; T368-L388 PolarHBondContact O-N 3.12Å; I370-L388 HydrophobicContact CD1-CD1 3.33Å; I370-L388 HydrophobicContact CD1-CD2 4.31Å; I370-L388 HydrophobicContact CD1-CG 3.81Å; I370-L388 HydrophobicContact CG1-CD1 4.15Å; I370-L388 HydrophobicContact CG1-CG 4.19Å; Y386-L388 PolarHBondContact O-N 2.85Å |
| 389 | I | 88 | Confident | 70.6 | Confident | 99 Ų | 99 | 90.4 Ų | 90.4 | 51% | 0.508 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 126.9 | 178.2 | -57.5 | 176.6 | 0 | 0 | 0 | 107.8 | I365 V366 R387 | I365-I389 HydrophobicContact CG2-CG2 3.74Å; V366-I389 WeakPolarHBondContact O-CA 3.41Å; R387-I389 HydrophobicContact CG-CG1 4.2Å |
| 390 | C | 89.5 | Confident | 69.1 | Low | 0 Ų | 0 | 86 Ų | 86 | 0% | 0 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.2 | 174.1 | -81.2 | 0 | 0 | 0 | 0 | 110.4 | C306 I311 I365 V366 Y392 | C306-C390 VanDerWaalsContact CA-SG 3.53Å; C306-C390 HydrophobicContact CB-CB 3.68Å; C306-C390 WeakPolarHBondContact CB-SG 3.39Å; C306-C390 WeakPolarHBondContact SG-CA 3.06Å; C306-C390 WeakPolarHBondContact SG-CB 3.09Å; C306-C390 CovalentContact SG-SG 2.03Å; C306-C390 PolarHBondContact SG-SG 2.82Å; I311-C390 HydrophobicContact CD1-CB 4.12Å; I311-C390 HydrophobicContact CG1-CB 4.32Å; I365-C390 WeakPolarHBondContact CA-O 3.44Å; V366-C390 HydrophobicContact CG2-CB 3.94Å; V366-C390 PolarHBondContact N-O 2.79Å; V366-C390 PolarHBondContact O-N 2.98Å; C390-Y392 HydrophobicContact CB-CD2 4.21Å; C390-Y392 HydrophobicContact CB-CE2 3.51Å |
| 391 | N | 87.5 | Confident | 67.7 | Low | 90 Ų | 90 | 87.1 Ų | 87.1 | 48% | 0.481 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 107.6 | 176.6 | -172.2 | 4.1 | 0 | 0 | 0 | 110.2 | I365 T393 | I365-N391 HydrophobicContact CG1-CB 4.29Å; N391-T393 VanDerWaalsContact CG-OG1 3.31Å; N391-T393 PolarHBondContact ND2-OG1 2.87Å; N391-T393 VanDerWaalsContact ND2-OG1 3.14Å; N391-T393 VanDerWaalsContact OD1-CB 3.31Å; N391-T393 WeakPolarHBondContact OD1-CB 3.14Å; N391-T393 WeakPolarHBondContact OD1-CG2 3.23Å; N391-T393 PolarHBondContact OD1-N 2.88Å; N391-T393 PolarHBondContact OD1-OG1 2.85Å |
| 392 | Y | 83 | Confident | 66 | Low | 72 Ų | 72 | 87.9 Ų | 87.9 | 28% | 0.282 | 41% | 0.412 | S | S | . | . | trans | -99.3 | 9.3 | 174.7 | -62.5 | -75.8 | 0 | 0 | 0 | 112.8 | C306 E307 L350 G364 V366 C390 P394 | C306-Y392 HydrophobicContact CB-CE1 4.16Å; E307-Y392 WeakPolarHBondContact O-CE1 3.35Å; E307-Y392 PolarHBondContact O-OH 2.97Å; L350-Y392 HydrophobicContact CD1-CE1 4.39Å; L350-Y392 HydrophobicContact CD1-CE2 4.03Å; L350-Y392 WeakPolarHBondContact CD1-OH 3.21Å; L350-Y392 HydrophobicContact CD2-CE2 4.34Å; G364-Y392 WeakPolarHBondContact O-CA 3.13Å; G364-Y392 WeakPolarHBondContact O-CB 3.34Å; G364-Y392 PolarHBondContact O-N 3.09Å; V366-Y392 HydrophobicContact CG2-CD2 3.93Å; V366-Y392 HydrophobicContact CG2-CE2 3.6Å; C390-Y392 HydrophobicContact CB-CD2 4.21Å; C390-Y392 HydrophobicContact CB-CE2 3.51Å; Y392-P394 WeakPolarHBondContact O-CD 3.49Å; Y392-P394 VanDerWaalsContact O-N 3.15Å | ||
| 393 | T | 71.7 | Confident | 64.2 | Low | 54 Ų | 54 | 84.7 Ų | 84.7 | 33% | 0.331 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -55.1 | 125.2 | 169.2 | 58.3 | 0 | 0 | 0 | 0 | 107.8 | S363 G364 N391 R395 | S363-T393 WeakPolarHBondContact O-CG2 3.49Å; G364-T393 PolarHBondContact O-N 2.9Å; N391-T393 VanDerWaalsContact CG-OG1 3.31Å; N391-T393 PolarHBondContact ND2-OG1 2.87Å; N391-T393 VanDerWaalsContact ND2-OG1 3.14Å; N391-T393 VanDerWaalsContact OD1-CB 3.31Å; N391-T393 WeakPolarHBondContact OD1-CB 3.14Å; N391-T393 WeakPolarHBondContact OD1-CG2 3.23Å; N391-T393 PolarHBondContact OD1-N 2.88Å; N391-T393 PolarHBondContact OD1-OG1 2.85Å; T393-R395 PolarHBondContact O-N 2.81Å |
| 394 | P | 60.9 | Low | 62.2 | Low | 85 Ų | 85 | 88.4 Ų | 88.4 | 55% | 0.552 | 42% | 0.423 | S | S | * | . | trans | -53.4 | 115.1 | 175.9 | -21.6 | 30.2 | 0 | 0 | 0 | 108.5 | Y392 R396 | Y392-P394 WeakPolarHBondContact O-CD 3.49Å; Y392-P394 VanDerWaalsContact O-N 3.15Å; P394-R396 PolarHBondContact O-N 3.47Å | ||
| 395 | R | 53.5 | Low | 59.9 | Low | 215 Ų | 215 | 88.5 Ų | 88.5 | 81% | 0.811 | 43% | 0.427 | S | S | * | . | trans | -65 | 121 | 166.4 | -79 | -171.4 | 170.3 | -171.6 | -2.7 | 105.8 | T393 N397 | T393-R395 PolarHBondContact O-N 2.81Å; R395-N397 VanDerWaalsContact C-N 3.29Å; R395-N397 PolarHBondContact O-N 3.09Å | ||
| 396 | R | 43.3 | Very low | 57.6 | Low | 175 Ų | 175 | 86.3 Ų | 86.3 | 66% | 0.66 | 43% | 0.425 | S | S | * | . | trans | -61.9 | 98.8 | 166.3 | -70.2 | -170.6 | -163.8 | -169.6 | 1.9 | 106.8 | P394 S398 | P394-R396 PolarHBondContact O-N 3.47Å; R396-S398 PolarHBondContact O-N 2.95Å | ||
| 397 | N | 45.5 | Very low | 55 | Low | 94 Ų | 94 | 88 Ų | 88 | 50% | 0.503 | 44% | 0.439 | S | S | . | . | trans | -85.3 | 106 | 168 | -69.8 | -11.4 | 0 | 0 | 0 | 105.8 | R395 I399 N533 | R395-N397 VanDerWaalsContact C-N 3.29Å; R395-N397 PolarHBondContact O-N 3.09Å; N397-I399 PolarHBondContact O-N 3.34Å; N397-I399 VanDerWaalsContact O-N 3.15Å; N397-N533 PolarHBondContact O-OD1 3.46Å | ||
| 398 | S | 40.9 | Very low | 52.4 | Low | 83 Ų | 83 | 85 Ų | 85 | 58% | 0.58 | 44% | 0.439 | S | S | * | . | trans | -66.2 | 111.3 | 167.8 | 53.2 | 0 | 0 | 0 | 0 | 108 | R396 D400 | R396-S398 PolarHBondContact O-N 2.95Å; S398-D400 PolarHBondContact O-N 2.67Å | ||
| 399 | I | 41.6 | Very low | 50 | Low | 67 Ų | 67 | 93.9 Ų | 93.9 | 34% | 0.344 | 48% | 0.478 | S | S | . | . | trans | -83.6 | 103 | 162.5 | -60.8 | 175.6 | 0 | 0 | 0 | 105.5 | N397 N401 A432 V534 | N397-I399 PolarHBondContact O-N 3.34Å; N397-I399 VanDerWaalsContact O-N 3.15Å; I399-N401 WeakPolarHBondContact CG2-ND2 3.42Å; I399-N401 PolarHBondContact O-N 2.94Å; I399-A432 HydrophobicContact CD1-CB 4.41Å; I399-V534 HydrophobicContact CD1-CG2 4.45Å | ||
| 400 | D | 37.1 | Very low | 47.5 | Very low | 95 Ų | 95 | 96.7 Ų | 96.7 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | trans | -77.6 | 98.5 | 168.9 | -70.7 | -30.6 | 0 | 0 | 0 | 108.2 | S398 F402 | S398-D400 PolarHBondContact O-N 2.67Å; D400-F402 HydrophobicContact CB-CE2 4.06Å; D400-F402 HydrophobicContact CB-CZ 4.13Å | ||
| 401 | N | 37.5 | Very low | 44.9 | Very low | 72 Ų | 72 | 107.5 Ų | 107.5 | 39% | 0.385 | 54% | 0.535 | S | S | . | . | trans | -112.2 | 117 | 164.7 | -84.6 | -34.8 | 0 | 0 | 0 | 108 | I399 | I399-N401 WeakPolarHBondContact CG2-ND2 3.42Å; I399-N401 PolarHBondContact O-N 2.94Å | ||
| 402 | F | 32.3 | Very low | 42.4 | Very low | 168 Ų | 168 | 110.6 Ų | 110.6 | 74% | 0.737 | 55% | 0.548 | S | S | * | . | trans | -88.1 | 134.2 | 177.5 | -55 | -86.9 | 0 | 0 | 0 | 109.7 | D400 | D400-F402 HydrophobicContact CB-CE2 4.06Å; D400-F402 HydrophobicContact CB-CZ 4.13Å | ||
| 403 | V | 34.3 | Very low | 40.2 | Very low | 57 Ų | 57 | 116 Ų | 116 | 35% | 0.345 | 58% | 0.576 | S | S | . | * | trans | -125.1 | 114.4 | 167.7 | 178.2 | 0 | 0 | 0 | 0 | 107.3 | V405 | V403-V405 HydrophobicContact CG1-CG2 4.5Å; V403-V405 PolarHBondContact O-N 2.94Å | ||
| 404 | D | 33.1 | Very low | 38.4 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 52% | 0.524 | 60% | 0.597 | S | S | . | * | trans | -83.1 | 107.7 | 175.5 | -111 | 8 | 0 | 0 | 0 | 109.2 | R527 | D404-R527 IonicContact OD1-CZ 2.75Å; D404-R527 IonicContact OD1-NE 3.67Å; D404-R527 IonicContact OD1-NH1 3.49Å; D404-R527 PolarHBondContact OD1-NH1 2.81Å; D404-R527 IonicContact OD1-NH2 2.63Å; D404-R527 PolarHBondContact OD1-NH2 3.39Å; D404-R527 IonicContact OD2-CZ 2.88Å; D404-R527 IonicContact OD2-NH1 3.6Å; D404-R527 PolarHBondContact OD2-NH1 3.4Å; D404-R527 IonicContact OD2-NH2 3.39Å; D404-R527 PolarHBondContact OD2-NH2 3.1Å | ||
| 405 | V | 33.4 | Very low | 36.9 | Very low | 33 Ų | 33 | 118.4 Ų | 118.4 | 20% | 0.2 | 61% | 0.608 | C | S | . | * | trans | -86.8 | 118.6 | 166.9 | 177.9 | 0 | 0 | 0 | 0 | 107.2 | V403 S445 R527 | V403-V405 HydrophobicContact CG1-CG2 4.5Å; V403-V405 PolarHBondContact O-N 2.94Å; V405-S445 WeakPolarHBondContact CA-O 3.26Å; V405-S445 WeakPolarHBondContact CG1-O 3.15Å; V405-R527 VanDerWaalsContact O-CG 3.24Å; V405-R527 WeakPolarHBondContact O-CG 2.95Å; V405-R527 PolarHBondContact O-NE 3.17Å; V405-R527 VanDerWaalsContact O-NE 3.17Å | ||
| 406 | S | 34.9 | Very low | 35.9 | Very low | 61 Ų | 61 | 117.8 Ų | 117.8 | 43% | 0.427 | 61% | 0.611 | S | S | . | * | trans | -130 | 117.5 | 179.1 | 49.6 | 0 | 0 | 0 | 0 | 110.2 | E446 | S406-E446 VanDerWaalsContact O-CG 3.23Å; S406-E446 WeakPolarHBondContact O-CG 3.49Å | ||
| 407 | V | 31 | Very low | 35.3 | Very low | 72 Ų | 72 | 118.8 Ų | 118.8 | 44% | 0.436 | 62% | 0.623 | S | S | . | * | trans | -71.1 | 142 | 173.8 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | K409 K526 | V407-K409 PolarHBondContact O-N 3.48Å; V407-K526 HydrophobicContact CB-CD 3.98Å; V407-K526 HydrophobicContact CG2-CB 4.41Å; V407-K526 HydrophobicContact CG2-CD 3.85Å; V407-K526 HydrophobicContact CG2-CG 4.39Å | ||
| 408 | P | 32.4 | Very low | 34.6 | Very low | 91 Ų | 91 | 120 Ų | 120 | 59% | 0.591 | 63% | 0.634 | S | S | * | * | trans | -68 | 133.4 | -165.6 | -10.5 | 24.7 | 0 | 0 | 0 | 111.2 | E446 | P408-E446 WeakPolarHBondContact CD-OE2 3.35Å; P408-E446 VanDerWaalsContact CG-OE2 3.23Å; P408-E446 WeakPolarHBondContact CG-OE2 3.37Å | ||
| 409 | K | 39.5 | Very low | 33.9 | Very low | 190 Ų | 190 | 121.2 Ų | 121.2 | 83% | 0.826 | 64% | 0.642 | S | S | * | * | trans | -121.8 | 126.5 | 153.6 | -80.8 | -170 | 176.5 | -177.7 | 0 | 108.8 | V407 | V407-K409 PolarHBondContact O-N 3.48Š| ||
| 410 | N | 35.3 | Very low | 33.5 | Very low | 158 Ų | 158 | 126.3 Ų | 126.3 | 85% | 0.845 | 67% | 0.665 | S | S | * | * | trans | -39.9 | 143.2 | 174.2 | -83.3 | -30.2 | 0 | 0 | 0 | 113.9 | ||||
| 411 | R | 34.9 | Very low | 33.1 | Very low | 227 Ų | 227 | 132.7 Ų | 132.7 | 86% | 0.857 | 68% | 0.683 | S | S | * | * | trans | 81.7 | 115.8 | 155.9 | -72.5 | 176.9 | 172.4 | 170.2 | -2.6 | 118 | ||||
| 412 | M | 33.7 | Very low | 32.8 | Very low | 155 Ų | 155 | 140 Ų | 140 | 76% | 0.764 | 71% | 0.705 | S | S | * | * | trans | 52.8 | 102.9 | 132.2 | -72.1 | 173.9 | 63.5 | 0 | 0 | 116.2 | ||||
| 413 | E | 36.7 | Very low | 32.8 | Very low | 187 Ų | 187 | 140 Ų | 140 | 87% | 0.874 | 71% | 0.707 | S | S | * | * | 174.8 | 165.5 | 101.2 | -102.3 | 168.2 | -178.1 | 0 | 0 | 112.4 | |||||
| 414 | A | 34.2 | Very low | 32.6 | Very low | 92 Ų | 92 | 143.2 Ų | 143.2 | 76% | 0.76 | 73% | 0.73 | S | S | * | * | trans | -72 | 141.6 | -156.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 415 | A | 29.6 | Very low | 32.7 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 79% | 0.793 | 74% | 0.741 | S | S | * | * | trans | 23.8 | 124.1 | 137.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 416 | K | 33.5 | Very low | 32.6 | Very low | 202 Ų | 202 | 148.4 Ų | 148.4 | 88% | 0.878 | 77% | 0.77 | S | S | * | * | trans | -150.6 | 112.5 | 136.8 | -114.3 | 173.1 | -176 | 177.1 | 0 | 110.8 | ||||
| 417 | E | 29.6 | Very low | 32.7 | Very low | 196 Ų | 196 | 152 Ų | 152 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | -59.8 | 130.8 | 167.7 | -73.4 | -179.8 | 139 | 0 | 0 | 110.1 | ||||
| 418 | V | 30.3 | Very low | 33.6 | Very low | 120 Ų | 120 | 160.3 Ų | 160.3 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -120.9 | 111.6 | 163.7 | 179.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 419 | S | 27.2 | Very low | 34.3 | Very low | 108 Ų | 108 | 161.7 Ų | 161.7 | 76% | 0.755 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 131.7 | 176.8 | 51.9 | 0 | 0 | 0 | 0 | 110.5 | ||
| 420 | H | 32.5 | Very low | 35.3 | Very low | 175 Ų | 175 | 153.3 Ų | 153.3 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -103.2 | 117.6 | 167.2 | -79.3 | -19.6 | 0 | 0 | 0 | 110.2 | R422 | H420-R422 PolarHBondContact O-N 3.26Š|
| 421 | Y | 29.9 | Very low | 36.7 | Very low | 229 Ų | 229 | 147.4 Ų | 147.4 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 123 | 174.2 | -128.4 | -101 | 0 | 0 | 0 | 110.2 | ||
| 422 | R | 30.5 | Very low | 38.5 | Very low | 224 Ų | 224 | 137.1 Ų | 137.1 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | trans | -88.4 | 113.8 | 167.6 | -89.8 | -176.9 | 175.1 | 177.8 | -0.8 | 109 | H420 | H420-R422 PolarHBondContact O-N 3.26Š| ||
| 423 | E | 32.5 | Very low | 40.6 | Very low | 168 Ų | 168 | 132.3 Ų | 132.3 | 79% | 0.785 | 68% | 0.683 | S | S | * | * | trans | -75.9 | 132.6 | 157.2 | -76.7 | -168.7 | 157 | 0 | 0 | 109.5 | V425 | E423-V425 PolarHBondContact O-N 3.48Š| ||
| 424 | P | 30.9 | Very low | 42.7 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 65% | 0.649 | S | S | * | * | trans | -83.3 | 97.7 | -180 | 32.2 | -29.4 | 0 | 0 | 0 | 109.4 | S426 | P424-S426 PolarHBondContact O-N 2.87Å; P424-S426 VanDerWaalsContact O-N 3.12Å | ||
| 425 | V | 33.5 | Very low | 45 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 76% | 0.764 | 63% | 0.631 | S | S | * | * | trans | -77.2 | 98.5 | 164.1 | -177.3 | 0 | 0 | 0 | 0 | 108 | E423 N427 | E423-V425 PolarHBondContact O-N 3.48Å; V425-N427 PolarHBondContact O-N 3.32Å | ||
| 426 | S | 31.4 | Very low | 47.5 | Very low | 113 Ų | 113 | 121.8 Ų | 121.8 | 79% | 0.79 | 60% | 0.598 | S | S | * | * | trans | -57.3 | 102.2 | 163.9 | 179.2 | 0 | 0 | 0 | 0 | 109.3 | P424 | P424-S426 PolarHBondContact O-N 2.87Å; P424-S426 VanDerWaalsContact O-N 3.12Å | ||
| 427 | N | 38.4 | Very low | 49.9 | Very low | 138 Ų | 138 | 112.2 Ų | 112.2 | 74% | 0.738 | 56% | 0.557 | S | S | * | * | trans | -162.9 | 134.5 | 153.1 | -102.5 | -23.2 | 0 | 0 | 0 | 110.8 | V425 M429 | V425-N427 PolarHBondContact O-N 3.32Å; N427-M429 PolarHBondContact O-N 2.87Å | ||
| 428 | R | 49.1 | Very low | 52.5 | Low | 246 Ų | 246 | 104.4 Ų | 104.4 | 93% | 0.928 | 52% | 0.522 | S | S | * | . | trans | -66.9 | 46.9 | -173.2 | -63.5 | 174.3 | 172.2 | 178.9 | -3.7 | 114.7 | ||||
| 429 | M | 48.3 | Very low | 55.1 | Low | 119 Ų | 119 | 103.5 Ų | 103.5 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -103.9 | 137.8 | 177.9 | -96 | -178.2 | 158.4 | 0 | 0 | 111.8 | N427 A431 | N427-M429 PolarHBondContact O-N 2.87Å; M429-A431 PolarHBondContact O-N 3.47Å |
| 430 | P | 60.2 | Low | 57.7 | Low | 14 Ų | 14 | 104.9 Ų | 104.9 | 9% | 0.091 | 51% | 0.511 | C | S | . | . | P | Polyproline II helix | trans | -60.6 | 128.6 | 176 | -23.7 | 34.3 | 0 | 0 | 0 | 112.9 | N463 K467 F536 | P430-N463 VanDerWaalsContact CA-CG 3.43Å; P430-N463 WeakPolarHBondContact CA-ND2 3.4Å; P430-N463 HydrophobicContact CB-CB 3.58Å; P430-N463 HydrophobicContact CG-CB 4.19Å; P430-K467 HydrophobicContact CG-CD 4.01Å; P430-F536 HydrophobicContact CB-CD1 4.35Å; P430-F536 HydrophobicContact CB-CE1 3.58Å; P430-F536 HydrophobicContact CB-CZ 3.75Å; P430-F536 HydrophobicContact CG-CD1 4.14Å; P430-F536 HydrophobicContact CG-CE1 3.85Å; P430-F536 HydrophobicContact CG-CZ 4.2Å; P430-F536 WeakPolarHBondContact O-CZ 3.48Å |
| 431 | A | 64.6 | Low | 60 | Low | 35 Ų | 35 | 98.4 Ų | 98.4 | 29% | 0.289 | 49% | 0.492 | S | S | . | . | P | Polyproline II helix | trans | -78.3 | 124.9 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | M429 Q460 N463 | M429-A431 PolarHBondContact O-N 3.47Å; A431-Q460 HydrophobicContact CB-CB 4.29Å; A431-Q460 HydrophobicContact CB-CG 3.92Å; A431-Q460 WeakPolarHBondContact O-CB 3.26Å; A431-Q460 WeakPolarHBondContact O-CG 3.27Å; A431-Q460 PolarHBondContact O-N 2.72Å; A431-N463 PolarHBondContact N-ND2 3.22Å; A431-N463 VanDerWaalsContact N-ND2 3.19Å |
| 432 | A | 71.5 | Confident | 62.5 | Low | 10 Ų | 10 | 91.6 Ų | 91.6 | 8% | 0.083 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 153 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | I399 I457 N458 L459 V534 | I399-A432 HydrophobicContact CD1-CB 4.41Å; A432-I457 HydrophobicContact CB-CG2 4.44Å; A432-N458 CarbonylContact C-O 3.59Å; A432-N458 VanDerWaalsContact CA-O 3.31Å; A432-N458 WeakPolarHBondContact CA-O 3.47Å; A432-L459 HydrophobicContact CB-CD2 4Å; A432-V534 HydrophobicContact CB-CG2 4.26Å |
| 433 | Y | 78 | Confident | 64.8 | Low | 54 Ų | 54 | 86.5 Ų | 86.5 | 21% | 0.212 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 149.8 | 173.5 | 64.7 | -94.2 | 0 | 0 | 0 | 110.2 | R435 I457 N458 Q460 | Y433-R435 HydrophobicContact CD2-CG 4.06Å; Y433-R435 HydrophobicContact CE2-CG 4.1Å; Y433-R435 VanDerWaalsContact CE2-NE 3.3Å; Y433-R435 VanDerWaalsContact CE2-NH1 3.34Å; Y433-R435 PolarHBondContact OH-NH1 3.3Å; Y433-R435 VanDerWaalsContact OH-NH1 3.13Å; Y433-R435 PolarHBondContact OH-NH2 3.24Å; Y433-R435 VanDerWaalsContact OH-NH2 3.14Å; Y433-I457 WeakPolarHBondContact O-CA 2.83Å; Y433-N458 HydrophobicContact CD1-CB 4.38Å; Y433-N458 HydrophobicContact CD2-CB 4.2Å; Y433-N458 HydrophobicContact CE1-CB 3.72Å; Y433-N458 HydrophobicContact CE2-CB 3.46Å; Y433-N458 VanDerWaalsContact CE2-CB 3.46Å; Y433-N458 PolarHBondContact N-O 3.44Å; Y433-N458 PolarHBondContact O-N 2.86Å; Y433-N458 VanDerWaalsContact OH-CB 3.28Å; Y433-N458 WeakPolarHBondContact OH-CB 3.47Å; Y433-Q460 HydrophobicContact CD1-CG 3.87Å; Y433-Q460 HydrophobicContact CE1-CG 4.35Å |
| 434 | M | 80.7 | Confident | 66.9 | Low | 33 Ų | 33 | 79.2 Ų | 79.2 | 16% | 0.163 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 142.6 | -179.7 | -175.8 | 179 | 68.1 | 0 | 0 | 109.8 | I455 E456 I457 I530 C532 | M434-I455 HydrophobicContact CG-CG2 3.82Å; M434-I455 HydrophobicContact SD-CG2 3.72Å; M434-E456 CarbonylContact C-O 3.52Å; M434-E456 WeakPolarHBondContact CA-O 3.27Å; M434-I457 HydrophobicContact CB-CG1 4.19Å; M434-I457 HydrophobicContact CG-CG1 4.02Å; M434-I530 WeakPolarHBondContact CE-O 3.39Å; M434-C532 HydrophobicContact SD-CB 4.49Å |
| 435 | R | 83.1 | Confident | 68.6 | Low | 99 Ų | 99 | 76.6 Ų | 76.6 | 37% | 0.374 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 148.6 | 173.5 | -63.9 | -177.3 | -179.1 | 135 | 0.9 | 109.5 | Y433 V437 L443 E456 | Y433-R435 HydrophobicContact CD2-CG 4.06Å; Y433-R435 HydrophobicContact CE2-CG 4.1Å; Y433-R435 VanDerWaalsContact CE2-NE 3.3Å; Y433-R435 VanDerWaalsContact CE2-NH1 3.34Å; Y433-R435 PolarHBondContact OH-NH1 3.3Å; Y433-R435 VanDerWaalsContact OH-NH1 3.13Å; Y433-R435 PolarHBondContact OH-NH2 3.24Å; Y433-R435 VanDerWaalsContact OH-NH2 3.14Å; R435-V437 HydrophobicContact CB-CG1 4.19Å; R435-L443 HydrophobicContact CB-CD1 3.88Å; R435-L443 HydrophobicContact CG-CD1 4.09Å; R435-E456 PolarHBondContact N-O 2.84Å; R435-E456 PolarHBondContact O-N 2.72Å |
| 436 | I | 81.5 | Confident | 70.1 | Confident | 22 Ų | 22 | 74.5 Ų | 74.5 | 11% | 0.113 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 125.3 | 167.1 | -57.1 | 177.7 | 0 | 0 | 0 | 106.8 | V444 L453 F454 | I436-V444 HydrophobicContact CG2-CB 4.36Å; I436-V444 PolarHBondContact O-N 2.88Å; I436-L453 HydrophobicContact CG2-CB 4.19Å; I436-L453 HydrophobicContact CG2-CD1 4.28Å; I436-L453 HydrophobicContact CG2-CD2 4.42Å; I436-F454 CarbonylContact C-O 3.42Å; I436-F454 WeakPolarHBondContact CA-O 3.46Å |
| 437 | V | 84.6 | Confident | 71.7 | Confident | 2 Ų | 2 | 71.1 Ų | 71.1 | 1% | 0.012 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 156.1 | -174.9 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | R435 V442 F454 E456 | R435-V437 HydrophobicContact CB-CG1 4.19Å; V437-V442 WeakPolarHBondContact CA-O 3.37Å; V437-V442 WeakPolarHBondContact CB-O 3.38Å; V437-F454 HydrophobicContact CG2-CB 3.87Å; V437-F454 PolarHBondContact N-O 2.63Å; V437-F454 PolarHBondContact O-N 3.3Å; V437-E456 HydrophobicContact CG2-CB 4.38Å |
| 438 | D | 84.1 | Confident | 73.1 | Confident | 32 Ų | 32 | 71.8 Ų | 71.8 | 17% | 0.171 | 37% | 0.374 | C | S | . | . | trans | -81.9 | -171.6 | 172.5 | 72 | -3.5 | 0 | 0 | 0 | 111.7 | N440 G441 V442 V444 R514 | D438-N440 PolarHBondContact O-N 2.87Å; D438-N440 VanDerWaalsContact OD1-C 3.31Å; D438-N440 VanDerWaalsContact OD1-CA 3.28Å; D438-N440 WeakPolarHBondContact OD1-CA 3.49Å; D438-N440 WeakPolarHBondContact OD1-CB 3.23Å; D438-N440 PolarHBondContact OD1-N 3.27Å; D438-G441 PolarHBondContact O-N 2.03Å; D438-G441 PolarHBondContact OD1-N 3.47Å; D438-V442 PolarHBondContact N-O 3.1Å; D438-V442 VanDerWaalsContact N-O 3.08Å; D438-V442 PolarHBondContact OD1-N 3.45Å; D438-V444 HydrophobicContact CB-CG2 3.76Å; D438-V444 VanDerWaalsContact N-CG2 3.33Å; D438-R514 PolarHBondContact O-NH2 2.97Å | ||
| 439 | N | 84.2 | Confident | 73.8 | Confident | 100 Ų | 100 | 68.9 Ų | 68.9 | 54% | 0.535 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -29.2 | 173.4 | -87.6 | -20.7 | 0 | 0 | 0 | 113.2 | F454 | N439-F454 WeakPolarHBondContact OD1-CE2 3.41Å; N439-F454 VanDerWaalsContact OD1-CZ 3.29Å; N439-F454 WeakPolarHBondContact OD1-CZ 3.36Å |
| 440 | N | 83 | Confident | 74.6 | Confident | 137 Ų | 137 | 65.7 Ų | 65.7 | 73% | 0.733 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | -2.8 | -176.8 | -57.6 | -43.1 | 0 | 0 | 0 | 113.1 | D438 V442 | D438-N440 PolarHBondContact O-N 2.87Å; D438-N440 VanDerWaalsContact OD1-C 3.31Å; D438-N440 VanDerWaalsContact OD1-CA 3.28Å; D438-N440 WeakPolarHBondContact OD1-CA 3.49Å; D438-N440 WeakPolarHBondContact OD1-CB 3.23Å; D438-N440 PolarHBondContact OD1-N 3.27Å; N440-V442 VanDerWaalsContact C-N 3.3Å; N440-V442 HydrophobicContact CB-CG2 4.1Å |
| 441 | G | 80 | Confident | 75.3 | Confident | 40 Ų | 40 | 67.6 Ų | 67.6 | 41% | 0.412 | 38% | 0.376 | S | S | . | . | trans | 79.6 | 12.1 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | D438 | D438-G441 PolarHBondContact O-N 2.03Å; D438-G441 PolarHBondContact OD1-N 3.47Å | ||
| 442 | V | 82.8 | Confident | 75.7 | Confident | 86 Ų | 86 | 67.7 Ų | 67.7 | 52% | 0.521 | 37% | 0.374 | S | S | . | . | trans | -79.7 | 135.1 | 176.9 | -179 | 0 | 0 | 0 | 0 | 108.7 | V437 D438 N440 V444 | V437-V442 WeakPolarHBondContact CA-O 3.37Å; V437-V442 WeakPolarHBondContact CB-O 3.38Å; D438-V442 PolarHBondContact N-O 3.1Å; D438-V442 VanDerWaalsContact N-O 3.08Å; D438-V442 PolarHBondContact OD1-N 3.45Å; N440-V442 VanDerWaalsContact C-N 3.3Å; N440-V442 HydrophobicContact CB-CG2 4.1Å; V442-V444 PolarHBondContact O-N 2.97Å | ||
| 443 | L | 79.6 | Confident | 76.4 | Confident | 117 Ų | 117 | 67.9 Ų | 67.9 | 61% | 0.613 | 37% | 0.374 | S | S | * | . | B | Isolated β-bridge | trans | -60.9 | 125.5 | 178.2 | -172.5 | 76 | 0 | 0 | 0 | 109.9 | R435 | R435-L443 HydrophobicContact CB-CD1 3.88Å; R435-L443 HydrophobicContact CG-CD1 4.09Å |
| 444 | V | 74.8 | Confident | 76.9 | Confident | 15 Ų | 15 | 65.7 Ų | 65.7 | 9% | 0.091 | 37% | 0.365 | C | S | . | . | trans | -100.5 | 112.5 | -179.6 | -178.8 | 0 | 0 | 0 | 0 | 108.8 | I436 D438 V442 E446 A447 L453 | I436-V444 HydrophobicContact CG2-CB 4.36Å; I436-V444 PolarHBondContact O-N 2.88Å; D438-V444 HydrophobicContact CB-CG2 3.76Å; D438-V444 VanDerWaalsContact N-CG2 3.33Å; V442-V444 PolarHBondContact O-N 2.97Å; V444-E446 WeakPolarHBondContact CG1-O 3.06Å; V444-A447 HydrophobicContact CG1-CB 4.29Å; V444-L453 HydrophobicContact CB-CD2 4.27Å; V444-L453 HydrophobicContact CG1-CD2 3.85Å; V444-L453 HydrophobicContact CG2-CD2 4.14Å | ||
| 445 | S | 67.4 | Low | 77.2 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 50% | 0.497 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -90.3 | -17.1 | 168.4 | 53.1 | 0 | 0 | 0 | 0 | 112.6 | V405 | V405-S445 WeakPolarHBondContact CA-O 3.26Å; V405-S445 WeakPolarHBondContact CG1-O 3.15Å |
| 446 | E | 64.3 | Low | 77.4 | Confident | 82 Ų | 82 | 61 Ų | 61 | 38% | 0.383 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -146.5 | 135.1 | -174.1 | -63.6 | -177.9 | -153.4 | 0 | 0 | 110.4 | S406 P408 V444 | S406-E446 VanDerWaalsContact O-CG 3.23Å; S406-E446 WeakPolarHBondContact O-CG 3.49Å; P408-E446 WeakPolarHBondContact CD-OE2 3.35Å; P408-E446 VanDerWaalsContact CG-OE2 3.23Å; P408-E446 WeakPolarHBondContact CG-OE2 3.37Å; V444-E446 WeakPolarHBondContact CG1-O 3.06Å |
| 447 | A | 65.9 | Low | 77.7 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 34% | 0.339 | 34% | 0.343 | S | S | . | . | trans | -130.4 | 140.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V444 Q451 L453 | V444-A447 HydrophobicContact CG1-CB 4.29Å; A447-Q451 VanDerWaalsContact CA-OE1 3.31Å; A447-L453 HydrophobicContact CB-CD1 3.67Å; A447-L453 HydrophobicContact CB-CD2 3.93Å; A447-L453 HydrophobicContact CB-CG 4.23Å | ||
| 448 | E | 67.5 | Low | 77.5 | Confident | 153 Ų | 153 | 61 Ų | 61 | 72% | 0.715 | 35% | 0.348 | S | S | * | . | trans | -89.8 | 158.4 | 174.8 | -66.2 | -175.5 | 173 | 0 | 0 | 112.4 | G450 Q451 I520 | E448-G450 PolarHBondContact O-N 3.33Å; E448-Q451 HydrophobicContact CB-CB 4.41Å; E448-Q451 VanDerWaalsContact O-CB 3.27Å; E448-Q451 WeakPolarHBondContact O-CB 3.34Å; E448-Q451 PolarHBondContact O-N 2.83Å; E448-I520 WeakPolarHBondContact O-CD1 3.27Å | ||
| 449 | E | 63.9 | Low | 77.1 | Confident | 185 Ų | 185 | 60 Ų | 60 | 86% | 0.864 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | 121.1 | 175.2 | -162.9 | 173.7 | 174.4 | 0 | 0 | 111.2 | I520 | E449-I520 VanDerWaalsContact CA-CD1 3.47Å; E449-I520 HydrophobicContact CB-CD1 4.45Å; E449-I520 HydrophobicContact CG-CD1 4.49Å |
| 450 | G | 66.1 | Low | 76.3 | Confident | 52 Ų | 52 | 58.8 Ų | 58.8 | 54% | 0.536 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85 | -0 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | E448 | E448-G450 PolarHBondContact O-N 3.33Š|
| 451 | Q | 73.6 | Confident | 75.1 | Confident | 53 Ų | 53 | 55.6 Ų | 55.6 | 25% | 0.248 | 33% | 0.326 | C | S | . | . | trans | -67.7 | 126.4 | 173.4 | -177 | 179.5 | -14.5 | 0 | 0 | 110.7 | A447 E448 L453 | A447-Q451 VanDerWaalsContact CA-OE1 3.31Å; E448-Q451 HydrophobicContact CB-CB 4.41Å; E448-Q451 VanDerWaalsContact O-CB 3.27Å; E448-Q451 WeakPolarHBondContact O-CB 3.34Å; E448-Q451 PolarHBondContact O-N 2.83Å; Q451-L453 HydrophobicContact CG-CD2 4.18Å; Q451-L453 PolarHBondContact O-N 2.75Å | ||
| 452 | P | 72.7 | Confident | 73.9 | Confident | 38 Ų | 38 | 62.3 Ų | 62.3 | 25% | 0.247 | 35% | 0.346 | C | S | . | . | trans | -71.7 | 116.2 | 175.9 | 28.1 | -32.9 | 0 | 0 | 0 | 110.4 | F454 W518 | P452-F454 HydrophobicContact CB-CE2 4.46Å; P452-W518 HydrophobicContact CB-CH2 4.23Å; P452-W518 HydrophobicContact CB-CZ3 4.48Å | ||
| 453 | L | 86.2 | Confident | 72.5 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 7% | 0.068 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 157.4 | 175.9 | -58.4 | 178.2 | 0 | 0 | 0 | 111.2 | I436 V444 A447 Q451 F517 | I436-L453 HydrophobicContact CG2-CB 4.19Å; I436-L453 HydrophobicContact CG2-CD1 4.28Å; I436-L453 HydrophobicContact CG2-CD2 4.42Å; V444-L453 HydrophobicContact CB-CD2 4.27Å; V444-L453 HydrophobicContact CG1-CD2 3.85Å; V444-L453 HydrophobicContact CG2-CD2 4.14Å; A447-L453 HydrophobicContact CB-CD1 3.67Å; A447-L453 HydrophobicContact CB-CD2 3.93Å; A447-L453 HydrophobicContact CB-CG 4.23Å; Q451-L453 HydrophobicContact CG-CD2 4.18Å; Q451-L453 PolarHBondContact O-N 2.75Å; L453-F517 HydrophobicContact CD1-CD1 4.43Å; L453-F517 PolarHBondContact N-O 2.99Å; L453-F517 PolarHBondContact O-N 3Å |
| 454 | F | 88.7 | Confident | 71.3 | Confident | 9 Ų | 9 | 60.9 Ų | 60.9 | 4% | 0.039 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 133.2 | 175.4 | -59.4 | -102.2 | 0 | 0 | 0 | 111 | I436 V437 N439 P452 R514 A515 R516 | I436-F454 CarbonylContact C-O 3.42Å; I436-F454 WeakPolarHBondContact CA-O 3.46Å; V437-F454 HydrophobicContact CG2-CB 3.87Å; V437-F454 PolarHBondContact N-O 2.63Å; V437-F454 PolarHBondContact O-N 3.3Å; N439-F454 WeakPolarHBondContact OD1-CE2 3.41Å; N439-F454 VanDerWaalsContact OD1-CZ 3.29Å; N439-F454 WeakPolarHBondContact OD1-CZ 3.36Å; P452-F454 HydrophobicContact CB-CE2 4.46Å; F454-R514 HydrophobicContact CB-CG 3.89Å; F454-R514 HydrophobicContact CD1-CG 3.99Å; F454-R514 VanDerWaalsContact CE2-NH2 3.32Å; F454-R514 HydrophobicContact CG-CG 4.35Å; F454-A515 CarbonylContact C-O 3.58Å; F454-A515 VanDerWaalsContact CA-O 3.25Å; F454-A515 WeakPolarHBondContact CA-O 3.26Å; F454-R516 HydrophobicContact CD1-CB 4.05Å; F454-R516 HydrophobicContact CD1-CG 4.35Å; F454-R516 HydrophobicContact CE1-CB 3.99Å; F454-R516 HydrophobicContact CE1-CG 4.07Å; F454-R516 HydrophobicContact CZ-CG 4.37Å |
| 455 | I | 87.3 | Confident | 70.2 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 116.3 | 171.9 | -61.8 | 169.1 | 0 | 0 | 0 | 106.8 | M434 M498 F501 R514 A515 F517 I530 | M434-I455 HydrophobicContact CG-CG2 3.82Å; M434-I455 HydrophobicContact SD-CG2 3.72Å; I455-M498 HydrophobicContact CD1-CE 3.77Å; I455-M498 HydrophobicContact CD1-SD 4.22Å; I455-F501 HydrophobicContact CB-CE1 4.5Å; I455-F501 HydrophobicContact CB-CZ 4.39Å; I455-F501 HydrophobicContact CG2-CE1 4.2Å; I455-F501 HydrophobicContact CG2-CZ 4.01Å; I455-R514 VanDerWaalsContact O-CA 3.31Å; I455-R514 WeakPolarHBondContact O-CA 3.1Å; I455-A515 PolarHBondContact N-O 3.25Å; I455-A515 PolarHBondContact O-N 3.18Å; I455-F517 HydrophobicContact CD1-CB 3.99Å; I455-F517 HydrophobicContact CD1-CD2 4.24Å; I455-F517 HydrophobicContact CD1-CG 4.03Å; I455-F517 HydrophobicContact CG1-CB 4.14Å; I455-I530 HydrophobicContact CD1-CD1 3.8Å; I455-I530 HydrophobicContact CD1-CG2 4.11Å |
| 456 | E | 87.3 | Confident | 69.7 | Low | 33 Ų | 33 | 65 Ų | 65 | 15% | 0.154 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 124.8 | 179.2 | -168.2 | -174 | -107.4 | 0 | 0 | 110.1 | M434 R435 V437 N458 Q513 | M434-E456 CarbonylContact C-O 3.52Å; M434-E456 WeakPolarHBondContact CA-O 3.27Å; R435-E456 PolarHBondContact N-O 2.84Å; R435-E456 PolarHBondContact O-N 2.72Å; V437-E456 HydrophobicContact CG2-CB 4.38Å; E456-N458 PolarHBondContact OE2-ND2 2.89Å; E456-Q513 WeakPolarHBondContact CA-O 3.4Å |
| 457 | I | 87 | Confident | 69.4 | Low | 5 Ų | 5 | 64.3 Ų | 64.3 | 3% | 0.026 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 131 | 177.1 | -63 | 170.2 | 0 | 0 | 0 | 108.8 | A432 Y433 M434 F469 V471 F501 S512 Q513 C532 V534 | A432-I457 HydrophobicContact CB-CG2 4.44Å; Y433-I457 WeakPolarHBondContact O-CA 2.83Å; M434-I457 HydrophobicContact CB-CG1 4.19Å; M434-I457 HydrophobicContact CG-CG1 4.02Å; I457-F469 HydrophobicContact CB-CE2 4.12Å; I457-F469 HydrophobicContact CB-CZ 4.37Å; I457-F469 HydrophobicContact CG2-CE2 3.66Å; I457-F469 HydrophobicContact CG2-CZ 3.98Å; I457-F469 WeakPolarHBondContact O-CZ 3.46Å; I457-V471 HydrophobicContact CD1-CG2 3.61Å; I457-F501 HydrophobicContact CD1-CE1 4.05Å; I457-F501 HydrophobicContact CD1-CZ 4.1Å; I457-F501 HydrophobicContact CG1-CE1 4.47Å; I457-S512 WeakPolarHBondContact O-CA 3.03Å; I457-S512 PolarHBondContact O-OG 2.71Å; I457-Q513 PolarHBondContact N-O 2.81Å; I457-Q513 PolarHBondContact O-N 3.48Å; I457-C532 HydrophobicContact CD1-CB 3.93Å; I457-V534 HydrophobicContact CD1-CG1 4.25Å; I457-V534 HydrophobicContact CG2-CG1 4.06Å |
| 458 | N | 81.7 | Confident | 69.7 | Low | 20 Ų | 20 | 63.8 Ų | 63.8 | 11% | 0.107 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 154.6 | -174.4 | -68.5 | -73.2 | 0 | 0 | 0 | 111.3 | A432 Y433 E456 S512 | A432-N458 CarbonylContact C-O 3.59Å; A432-N458 VanDerWaalsContact CA-O 3.31Å; A432-N458 WeakPolarHBondContact CA-O 3.47Å; Y433-N458 HydrophobicContact CD1-CB 4.38Å; Y433-N458 HydrophobicContact CD2-CB 4.2Å; Y433-N458 HydrophobicContact CE1-CB 3.72Å; Y433-N458 HydrophobicContact CE2-CB 3.46Å; Y433-N458 VanDerWaalsContact CE2-CB 3.46Å; Y433-N458 PolarHBondContact N-O 3.44Å; Y433-N458 PolarHBondContact O-N 2.86Å; Y433-N458 VanDerWaalsContact OH-CB 3.28Å; Y433-N458 WeakPolarHBondContact OH-CB 3.47Å; E456-N458 PolarHBondContact OE2-ND2 2.89Å; N458-S512 WeakPolarHBondContact OD1-CB 3.28Å; N458-S512 PolarHBondContact OD1-OG 2.77Å |
| 459 | L | 75.2 | Confident | 70.2 | Confident | 11 Ų | 11 | 56.5 Ų | 56.5 | 6% | 0.058 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 141.8 | 171.6 | -57.6 | -177.1 | 0 | 0 | 0 | 111.6 | A432 F469 F536 | A432-L459 HydrophobicContact CB-CD2 4Å; L459-F469 HydrophobicContact CD1-CD1 3.96Å; L459-F469 HydrophobicContact CD1-CE1 4.3Å; L459-F469 HydrophobicContact CD2-CD1 3.81Å; L459-F469 HydrophobicContact CD2-CE1 4.01Å; L459-F469 HydrophobicContact CD2-CG 4.46Å; L459-F469 HydrophobicContact CG-CD1 3.85Å; L459-F469 HydrophobicContact CG-CE1 3.82Å; L459-F536 HydrophobicContact CD2-CE1 3.62Å; L459-F536 HydrophobicContact CD2-CZ 4.29Å |
| 460 | Q | 67.3 | Low | 71.2 | Confident | 73 Ų | 73 | 49.8 Ų | 49.8 | 34% | 0.341 | 29% | 0.289 | S | S | . | . | trans | -62.9 | 147 | 171.9 | -70.8 | -172.7 | 11.1 | 0 | 0 | 111.4 | A431 Y433 E462 N463 | A431-Q460 HydrophobicContact CB-CB 4.29Å; A431-Q460 HydrophobicContact CB-CG 3.92Å; A431-Q460 WeakPolarHBondContact O-CB 3.26Å; A431-Q460 WeakPolarHBondContact O-CG 3.27Å; A431-Q460 PolarHBondContact O-N 2.72Å; Y433-Q460 HydrophobicContact CD1-CG 3.87Å; Y433-Q460 HydrophobicContact CE1-CG 4.35Å; Q460-E462 PolarHBondContact O-N 3.04Å; Q460-E462 VanDerWaalsContact O-N 3.15Å; Q460-N463 PolarHBondContact O-N 3.24Å | ||
| 461 | A | 58.2 | Low | 72 | Confident | 71 Ų | 71 | 47.5 Ų | 47.5 | 59% | 0.587 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -56.3 | -34.7 | -170.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | N463 R464 | A461-N463 PolarHBondContact O-N 3.49Å; A461-R464 WeakPolarHBondContact O-CG 3.18Å; A461-R464 PolarHBondContact O-N 2.9Å |
| 462 | E | 54.6 | Low | 72.4 | Confident | 180 Ų | 180 | 45.6 Ų | 45.6 | 84% | 0.841 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | -67.2 | -18.4 | 179.6 | -65.3 | 178.7 | 178.2 | 0 | 0 | 113.4 | Q460 | Q460-E462 PolarHBondContact O-N 3.04Å; Q460-E462 VanDerWaalsContact O-N 3.15Å |
| 463 | N | 53 | Low | 73 | Confident | 43 Ų | 43 | 44.4 Ų | 44.4 | 23% | 0.23 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -112.7 | 16.7 | -175.5 | -64 | -62.1 | 0 | 0 | 0 | 113.9 | P430 A431 Q460 A461 S465 | P430-N463 VanDerWaalsContact CA-CG 3.43Å; P430-N463 WeakPolarHBondContact CA-ND2 3.4Å; P430-N463 HydrophobicContact CB-CB 3.58Å; P430-N463 HydrophobicContact CG-CB 4.19Å; A431-N463 PolarHBondContact N-ND2 3.22Å; A431-N463 VanDerWaalsContact N-ND2 3.19Å; Q460-N463 PolarHBondContact O-N 3.24Å; A461-N463 PolarHBondContact O-N 3.49Å; N463-S465 PolarHBondContact O-N 3.29Å |
| 464 | R | 54.7 | Low | 73 | Confident | 131 Ų | 131 | 43.8 Ų | 43.8 | 49% | 0.494 | 25% | 0.245 | S | C | . | . | trans | -69.7 | 16.9 | 178.8 | -71.4 | 178.4 | 174.5 | -172.1 | 3.9 | 114.7 | A461 G466 K509 | A461-R464 WeakPolarHBondContact O-CG 3.18Å; A461-R464 PolarHBondContact O-N 2.9Å; R464-G466 PolarHBondContact O-N 2.79Å; R464-K509 VanDerWaalsContact CD-O 3.29Å; R464-K509 WeakPolarHBondContact CD-O 3.33Å; R464-K509 PolarHBondContact NE-O 3.12Å; R464-K509 PolarHBondContact NH1-O 3.18Å | ||
| 465 | S | 51 | Low | 72.8 | Confident | 97 Ų | 97 | 44.3 Ų | 44.3 | 68% | 0.678 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -71 | 75.2 | 175.8 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | N463 K467 | N463-S465 PolarHBondContact O-N 3.29Å; S465-K467 WeakPolarHBondContact O-CG 3.41Å; S465-K467 PolarHBondContact O-N 3.21Å |
| 466 | G | 56.8 | Low | 72.6 | Confident | 74 Ų | 74 | 44.6 Ų | 44.6 | 76% | 0.763 | 25% | 0.251 | S | S | * | . | S | Bend | trans | 53.7 | 6.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 119 | R464 | R464-G466 PolarHBondContact O-N 2.79Š|
| 467 | K | 59.5 | Low | 72.2 | Confident | 69 Ų | 69 | 47.2 Ų | 47.2 | 30% | 0.3 | 26% | 0.26 | S | S | . | . | trans | -85.2 | 119.7 | -176.2 | -76.5 | -179.6 | -177.6 | -175.1 | 0 | 109.7 | P430 S465 S511 | P430-K467 HydrophobicContact CG-CD 4.01Å; S465-K467 WeakPolarHBondContact O-CG 3.41Å; S465-K467 PolarHBondContact O-N 3.21Å; K467-S511 PolarHBondContact O-OG 2.8Å | ||
| 468 | N | 71.7 | Confident | 71.5 | Confident | 29 Ų | 29 | 49.4 Ų | 49.4 | 16% | 0.155 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 155.6 | 167.4 | -68.3 | -34.3 | 0 | 0 | 0 | 109.5 | S511 C537 R539 | N468-S511 PolarHBondContact OD1-OG 2.04Å; N468-S511 VanDerWaalsContact OD1-OG 3.04Å; N468-C537 HydrophobicContact CB-CB 4.15Å; N468-C537 PolarHBondContact O-N 2.88Å; N468-R539 PolarHBondContact ND2-O 3.47Å |
| 469 | F | 78.9 | Confident | 70.9 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 164.2 | 170.2 | 69.3 | -84.5 | 0 | 0 | 0 | 108.8 | I457 L459 S511 Q513 V534 N535 F536 C541 | I457-F469 HydrophobicContact CB-CE2 4.12Å; I457-F469 HydrophobicContact CB-CZ 4.37Å; I457-F469 HydrophobicContact CG2-CE2 3.66Å; I457-F469 HydrophobicContact CG2-CZ 3.98Å; I457-F469 WeakPolarHBondContact O-CZ 3.46Å; L459-F469 HydrophobicContact CD1-CD1 3.96Å; L459-F469 HydrophobicContact CD1-CE1 4.3Å; L459-F469 HydrophobicContact CD2-CD1 3.81Å; L459-F469 HydrophobicContact CD2-CE1 4.01Å; L459-F469 HydrophobicContact CD2-CG 4.46Å; L459-F469 HydrophobicContact CG-CD1 3.85Å; L459-F469 HydrophobicContact CG-CE1 3.82Å; F469-S511 WeakPolarHBondContact CE1-O 3.31Å; F469-Q513 HydrophobicContact CD2-CG 4.48Å; F469-Q513 HydrophobicContact CE2-CB 4.01Å; F469-Q513 HydrophobicContact CE2-CG 3.8Å; F469-Q513 HydrophobicContact CZ-CB 4.13Å; F469-Q513 HydrophobicContact CZ-CG 3.91Å; F469-Q513 PolarHBondContact O-NE2 3.25Å; F469-V534 HydrophobicContact CD2-CB 4.21Å; F469-V534 HydrophobicContact CD2-CG1 3.98Å; F469-V534 HydrophobicContact CE2-CG1 4.31Å; F469-N535 CarbonylContact C-O 3.57Å; F469-N535 WeakPolarHBondContact CA-O 3.17Å; F469-N535 WeakPolarHBondContact CB-O 3.16Å; F469-F536 HydrophobicContact CB-CD1 3.92Å; F469-F536 HydrophobicContact CB-CE1 4.25Å; F469-C541 PolarHBondContact O-SG 2.85Å |
| 470 | F | 83.6 | Confident | 70.6 | Confident | 44 Ų | 44 | 63.4 Ų | 63.4 | 19% | 0.193 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 151.7 | 169 | 72.9 | -76.1 | 0 | 0 | 0 | 110.7 | T472 V534 N535 C537 C541 | F470-T472 HydrophobicContact CD2-CG2 4.36Å; F470-T472 HydrophobicContact CE2-CG2 3.73Å; F470-T472 HydrophobicContact CZ-CG2 4.02Å; F470-V534 WeakPolarHBondContact O-CA 3.23Å; F470-N535 HydrophobicContact CD1-CB 3.98Å; F470-N535 WeakPolarHBondContact CD1-O 3.49Å; F470-N535 HydrophobicContact CE1-CB 3.41Å; F470-N535 VanDerWaalsContact CE1-CB 3.41Å; F470-N535 HydrophobicContact CE2-CB 4.47Å; F470-N535 HydrophobicContact CZ-CB 3.71Å; F470-N535 PolarHBondContact N-O 3.29Å; F470-N535 PolarHBondContact O-N 3.19Å; F470-C537 WeakPolarHBondContact CD1-SG 3.34Å; F470-C541 HydrophobicContact CB-CB 4.38Å; F470-C541 HydrophobicContact CD1-CB 4.45Å |
| 471 | V | 83.8 | Confident | 70.6 | Confident | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.024 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 124.1 | 176 | -177.2 | 0 | 0 | 0 | 0 | 109.2 | I457 C474 F501 C532 N533 V534 | I457-V471 HydrophobicContact CD1-CG2 3.61Å; V471-C474 VanDerWaalsContact CG1-SG 3.54Å; V471-F501 HydrophobicContact CB-CD2 3.62Å; V471-F501 HydrophobicContact CB-CE2 3.83Å; V471-F501 HydrophobicContact CB-CG 4.01Å; V471-F501 HydrophobicContact CB-CZ 4.4Å; V471-F501 HydrophobicContact CG1-CD2 3.85Å; V471-F501 HydrophobicContact CG1-CE2 3.56Å; V471-F501 HydrophobicContact CG1-CZ 4.16Å; V471-F501 HydrophobicContact CG2-CB 4.39Å; V471-F501 HydrophobicContact CG2-CD1 3.77Å; V471-F501 HydrophobicContact CG2-CD2 3.73Å; V471-F501 HydrophobicContact CG2-CE1 3.88Å; V471-F501 HydrophobicContact CG2-CE2 3.82Å; V471-F501 HydrophobicContact CG2-CG 3.69Å; V471-F501 HydrophobicContact CG2-CZ 3.9Å; V471-C532 HydrophobicContact CG1-CB 4.2Å; V471-N533 WeakPolarHBondContact CA-O 3.36Å; V471-V534 HydrophobicContact CG2-CG1 4.21Å |
| 472 | T | 80.8 | Confident | 71.6 | Confident | 12 Ų | 12 | 71.6 Ų | 71.6 | 7% | 0.074 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -41 | -178.8 | 54.1 | 0 | 0 | 0 | 0 | 112.9 | F470 D487 E488 N533 N535 | F470-T472 HydrophobicContact CD2-CG2 4.36Å; F470-T472 HydrophobicContact CE2-CG2 3.73Å; F470-T472 HydrophobicContact CZ-CG2 4.02Å; T472-D487 CarbonylContact O-C 3.52Å; T472-D487 VanDerWaalsContact O-C 3.28Å; T472-E488 CarbonylContact O-C 3.59Å; T472-E488 WeakPolarHBondContact O-CA 3.17Å; T472-N533 PolarHBondContact N-O 3.47Å; T472-N533 WeakPolarHBondContact OG1-CB 3.42Å; T472-N533 PolarHBondContact OG1-O 3.1Å; T472-N535 HydrophobicContact CG2-CB 3.69Å; T472-N535 WeakPolarHBondContact CG2-ND2 3.16Å |
| 473 | D | 85.5 | Confident | 72.9 | Confident | 13 Ų | 13 | 66.5 Ų | 66.5 | 7% | 0.07 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 150.5 | -179.8 | 60.8 | -74.1 | 0 | 0 | 0 | 109.8 | I486 C532 N533 | D473-I486 VanDerWaalsContact CA-O 3.28Å; D473-I486 WeakPolarHBondContact CA-O 3.27Å; D473-I486 WeakPolarHBondContact CB-O 3Å; D473-C532 CarbonylContact O-C 3.55Å; D473-C532 VanDerWaalsContact O-CA 3.25Å; D473-C532 WeakPolarHBondContact O-CA 3.45Å; D473-N533 PolarHBondContact O-N 3.06Å; D473-N533 VanDerWaalsContact OD1-CB 3.29Å; D473-N533 WeakPolarHBondContact OD1-CB 3.25Å; D473-N533 PolarHBondContact OD1-ND2 2.74Å; D473-N533 PolarHBondContact OD2-ND2 2.88Å |
| 474 | C | 87 | Confident | 74.4 | Confident | 0 Ų | 0 | 68.2 Ų | 68.2 | 0% | 0 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 131.5 | 175.1 | -70.6 | 0 | 0 | 0 | 0 | 109.2 | V471 L485 I486 N531 C532 | V471-C474 VanDerWaalsContact CG1-SG 3.54Å; C474-L485 HydrophobicContact CB-CB 4.15Å; C474-L485 PolarHBondContact O-N 2.79Å; C474-I486 HydrophobicContact CB-CB 3.97Å; C474-I486 HydrophobicContact CB-CG1 3.91Å; C474-I486 PolarHBondContact N-O 3.5Å; C474-I486 VanDerWaalsContact N-O 3.15Å; C474-I486 PolarHBondContact O-N 3.48Å; C474-N531 CarbonylContact C-O 3.6Å; C474-N531 VanDerWaalsContact CA-O 3.27Å; C474-N531 WeakPolarHBondContact CA-O 3.46Å; C474-C532 HydrophobicContact CB-CB 4.21Å; C474-C532 WeakPolarHBondContact CB-SG 3.44Å; C474-C532 WeakPolarHBondContact SG-CB 3.4Å; C474-C532 CovalentContact SG-SG 2.05Å; C474-C532 PolarHBondContact SG-SG 3.29Å |
| 475 | V | 84.9 | Confident | 76 | Confident | 20 Ų | 20 | 62.2 Ų | 62.2 | 12% | 0.121 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 125.7 | 179.9 | -175.6 | 0 | 0 | 0 | 0 | 109.1 | Y477 K482 T483 L484 I530 N531 | V475-Y477 HydrophobicContact CB-CE2 3.77Å; V475-Y477 HydrophobicContact CG1-CD2 4.19Å; V475-Y477 HydrophobicContact CG1-CE1 4.04Å; V475-Y477 HydrophobicContact CG1-CE2 3.64Å; V475-K482 HydrophobicContact CG1-CB 4.01Å; V475-T483 WeakPolarHBondContact CA-O 3.36Å; V475-L484 HydrophobicContact CG2-CD1 3.96Å; V475-I530 WeakPolarHBondContact O-CA 3.41Å; V475-N531 PolarHBondContact N-O 3.46Å; V475-N531 PolarHBondContact O-N 3.18Å |
| 476 | A | 83.1 | Confident | 77.7 | Confident | 6 Ų | 6 | 57.6 Ų | 57.6 | 5% | 0.05 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 132.7 | 167 | 0 | 0 | 0 | 0 | 0 | 110.1 | K482 T483 L485 I528 N529 | A476-K482 CarbonylContact O-C 3.45Å; A476-K482 WeakPolarHBondContact O-CA 3.11Å; A476-T483 PolarHBondContact N-O 3.24Å; A476-T483 PolarHBondContact O-N 2.77Å; A476-L485 HydrophobicContact CB-CD1 4Å; A476-L485 HydrophobicContact CB-CD2 4.25Å; A476-L485 HydrophobicContact CB-CG 4.14Å; A476-I528 HydrophobicContact CB-CD1 3.94Å; A476-I528 HydrophobicContact CB-CG1 4.06Å; A476-N529 CarbonylContact C-O 3.53Å; A476-N529 WeakPolarHBondContact CA-O 3.05Å |
| 477 | Y | 77.4 | Confident | 79 | Confident | 89 Ų | 89 | 55.1 Ų | 55.1 | 35% | 0.349 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 129.3 | 175.2 | -60.7 | -92.1 | 0 | 0 | 0 | 109.8 | V475 K481 K482 N529 N531 | V475-Y477 HydrophobicContact CB-CE2 3.77Å; V475-Y477 HydrophobicContact CG1-CD2 4.19Å; V475-Y477 HydrophobicContact CG1-CE1 4.04Å; V475-Y477 HydrophobicContact CG1-CE2 3.64Å; Y477-K481 WeakPolarHBondContact CA-O 3.45Å; Y477-K482 HydrophobicContact CD1-CB 4.33Å; Y477-K482 HydrophobicContact CE1-CB 4.24Å; Y477-N529 PolarHBondContact N-O 3.01Å; Y477-N529 PolarHBondContact O-N 3.3Å; Y477-N531 HydrophobicContact CE2-CB 3.9Å; Y477-N531 WeakPolarHBondContact CE2-ND2 3.11Å |
| 478 | E | 73.1 | Confident | 79.9 | Confident | 50 Ų | 50 | 58.5 Ų | 58.5 | 23% | 0.234 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 101.2 | 170.8 | -173.2 | -168.5 | -170.1 | 0 | 0 | 107.1 | N480 K481 | E478-N480 PolarHBondContact O-N 2.79Å; E478-K481 PolarHBondContact N-O 2.85Å; E478-K481 PolarHBondContact O-N 3.4Å |
| 479 | K | 69 | Low | 80.2 | Confident | 157 Ų | 157 | 64.8 Ų | 64.8 | 68% | 0.683 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | -99 | -168.8 | -67.9 | 170.1 | 152.1 | 161.8 | 0 | 112 | Q525 | K479-Q525 VanDerWaalsContact CE-CD 3.5Š|
| 480 | N | 67.9 | Low | 80.2 | Confident | 168 Ų | 168 | 65 Ų | 65 | 90% | 0.898 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.9 | -3 | -176.8 | -63.5 | -14.7 | 0 | 0 | 0 | 112.6 | E478 | E478-N480 PolarHBondContact O-N 2.79Š|
| 481 | K | 69 | Low | 80.3 | Confident | 149 Ų | 149 | 63 Ų | 63 | 65% | 0.648 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 132.9 | 175.5 | -68.8 | -176.5 | 179.9 | 177.1 | 0 | 109.1 | Y477 E478 | Y477-K481 WeakPolarHBondContact CA-O 3.45Å; E478-K481 PolarHBondContact N-O 2.85Å; E478-K481 PolarHBondContact O-N 3.4Å |
| 482 | K | 79.4 | Confident | 80.6 | Confident | 167 Ų | 167 | 63.3 Ų | 63.3 | 73% | 0.726 | 30% | 0.298 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 129.2 | 173.8 | 63.9 | -177.7 | -177 | 178.3 | 0 | 108.9 | V475 A476 Y477 | V475-K482 HydrophobicContact CG1-CB 4.01Å; A476-K482 CarbonylContact O-C 3.45Å; A476-K482 WeakPolarHBondContact O-CA 3.11Å; Y477-K482 HydrophobicContact CD1-CB 4.33Å; Y477-K482 HydrophobicContact CE1-CB 4.24Å |
| 483 | T | 81.6 | Confident | 80.8 | Confident | 73 Ų | 73 | 66 Ų | 66 | 45% | 0.448 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 117.7 | 175.4 | -60.1 | 0 | 0 | 0 | 0 | 108.1 | V475 A476 L485 | V475-T483 WeakPolarHBondContact CA-O 3.36Å; A476-T483 PolarHBondContact N-O 3.24Å; A476-T483 PolarHBondContact O-N 2.77Å; T483-L485 HydrophobicContact CG2-CD2 4.29Å; T483-L485 PolarHBondContact O-N 2.84Å |
| 484 | L | 83.7 | Confident | 80.7 | Confident | 80 Ų | 80 | 68.7 Ų | 68.7 | 42% | 0.419 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 119.3 | 174.8 | -174.3 | 67.6 | 0 | 0 | 0 | 108.6 | V475 I486 D487 T493 | V475-L484 HydrophobicContact CG2-CD1 3.96Å; L484-I486 WeakPolarHBondContact CD1-O 3.25Å; L484-D487 HydrophobicContact CD2-CB 4.24Å; L484-T493 HydrophobicContact CB-CG2 4.18Å; L484-T493 HydrophobicContact CD2-CG2 3.81Å; L484-T493 HydrophobicContact CG-CG2 3.71Å; L484-T493 WeakPolarHBondContact O-CB 3.49Å; L484-T493 WeakPolarHBondContact O-CG2 3.24Å; L484-T493 PolarHBondContact O-OG1 3.13Å |
| 485 | L | 87.5 | Confident | 80.6 | Confident | 5 Ų | 5 | 74 Ų | 74 | 3% | 0.026 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -44.3 | 179.3 | -56.9 | 177.7 | 0 | 0 | 0 | 111.6 | C474 A476 T483 P492 T493 I497 M498 F517 I530 | C474-L485 HydrophobicContact CB-CB 4.15Å; C474-L485 PolarHBondContact O-N 2.79Å; A476-L485 HydrophobicContact CB-CD1 4Å; A476-L485 HydrophobicContact CB-CD2 4.25Å; A476-L485 HydrophobicContact CB-CG 4.14Å; T483-L485 HydrophobicContact CG2-CD2 4.29Å; T483-L485 PolarHBondContact O-N 2.84Å; L485-P492 WeakPolarHBondContact O-CA 3.31Å; L485-T493 PolarHBondContact O-N 3.23Å; L485-T493 PolarHBondContact O-OG1 3.15Å; L485-I497 HydrophobicContact CD2-CG2 3.85Å; L485-M498 HydrophobicContact CB-CB 4.42Å; L485-M498 HydrophobicContact CB-SD 3.62Å; L485-M498 HydrophobicContact CD1-SD 3.83Å; L485-M498 HydrophobicContact CG-SD 4.35Å; L485-F517 HydrophobicContact CD1-CD2 4.3Å; L485-F517 HydrophobicContact CD1-CE2 3.79Å; L485-F517 HydrophobicContact CD2-CE2 4.24Å; L485-I530 HydrophobicContact CD1-CG2 4.16Å |
| 486 | I | 86.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 77.7 Ų | 77.7 | 0% | 0 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 125.6 | 176 | -58.2 | -66.6 | 0 | 0 | 0 | 107 | D473 C474 L484 G490 C491 P492 M498 F501 | D473-I486 VanDerWaalsContact CA-O 3.28Å; D473-I486 WeakPolarHBondContact CA-O 3.27Å; D473-I486 WeakPolarHBondContact CB-O 3Å; C474-I486 HydrophobicContact CB-CB 3.97Å; C474-I486 HydrophobicContact CB-CG1 3.91Å; C474-I486 PolarHBondContact N-O 3.5Å; C474-I486 VanDerWaalsContact N-O 3.15Å; C474-I486 PolarHBondContact O-N 3.48Å; L484-I486 WeakPolarHBondContact CD1-O 3.25Å; I486-G490 VanDerWaalsContact CG2-C 3.48Å; I486-C491 CarbonylContact C-O 3.28Å; I486-C491 WeakPolarHBondContact CA-O 3.36Å; I486-P492 HydrophobicContact CD1-CB 4.18Å; I486-P492 HydrophobicContact CD1-CG 3.94Å; I486-M498 HydrophobicContact CD1-CE 4.21Å; I486-M498 HydrophobicContact CD1-CG 4.23Å; I486-M498 HydrophobicContact CD1-SD 4.09Å; I486-M498 HydrophobicContact CG1-CE 3.94Å; I486-M498 HydrophobicContact CG1-SD 3.86Å; I486-F501 HydrophobicContact CD1-CD2 4.4Å; I486-F501 HydrophobicContact CD1-CE2 4.49Å; I486-F501 HydrophobicContact CG1-CD2 4.3Å; I486-F501 HydrophobicContact CG1-CE2 4.02Å |
| 487 | D | 84.1 | Confident | 80.3 | Confident | 21 Ų | 21 | 80 Ų | 80 | 11% | 0.112 | 39% | 0.387 | C | S | . | . | trans | -75.5 | 165.9 | 175 | 77.9 | 13.9 | 0 | 0 | 0 | 111.8 | T472 L484 R489 G490 C491 T493 | T472-D487 CarbonylContact O-C 3.52Å; T472-D487 VanDerWaalsContact O-C 3.28Å; L484-D487 HydrophobicContact CD2-CB 4.24Å; D487-R489 PolarHBondContact O-N 2.94Å; D487-R489 WeakPolarHBondContact OD1-CA 3.39Å; D487-R489 VanDerWaalsContact OD1-CB 3.29Å; D487-R489 WeakPolarHBondContact OD1-CB 3.36Å; D487-R489 PolarHBondContact OD1-N 2.96Å; D487-R489 IonicContact OD1-NE 3.72Å; D487-R489 IonicContact OD2-CZ 2.81Å; D487-R489 VanDerWaalsContact OD2-CZ 3.29Å; D487-R489 IonicContact OD2-NE 3.4Å; D487-R489 PolarHBondContact OD2-NE 3.49Å; D487-R489 IonicContact OD2-NH2 2.7Å; D487-R489 PolarHBondContact OD2-NH2 3.3Å; D487-G490 PolarHBondContact O-N 3.35Å; D487-G490 PolarHBondContact OD1-N 2.95Å; D487-C491 PolarHBondContact N-O 2.93Å; D487-C491 WeakPolarHBondContact OD1-CB 3.18Å; D487-C491 PolarHBondContact OD1-N 2.82Å; D487-T493 HydrophobicContact CB-CG2 4.26Å | ||
| 488 | E | 79.3 | Confident | 80.7 | Confident | 141 Ų | 141 | 75.8 Ų | 75.8 | 66% | 0.659 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -9.6 | -179 | 63.4 | -158.2 | -169.7 | 0 | 0 | 116.7 | T472 | T472-E488 CarbonylContact O-C 3.59Å; T472-E488 WeakPolarHBondContact O-CA 3.17Å |
| 489 | R | 77.9 | Confident | 81.4 | Confident | 160 Ų | 160 | 75.4 Ų | 75.4 | 60% | 0.604 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -3.5 | 175.4 | -55.6 | 172.8 | -68.9 | 177 | -2.9 | 111.9 | D487 | D487-R489 PolarHBondContact O-N 2.94Å; D487-R489 WeakPolarHBondContact OD1-CA 3.39Å; D487-R489 VanDerWaalsContact OD1-CB 3.29Å; D487-R489 WeakPolarHBondContact OD1-CB 3.36Å; D487-R489 PolarHBondContact OD1-N 2.96Å; D487-R489 IonicContact OD1-NE 3.72Å; D487-R489 IonicContact OD2-CZ 2.81Å; D487-R489 VanDerWaalsContact OD2-CZ 3.29Å; D487-R489 IonicContact OD2-NE 3.4Å; D487-R489 PolarHBondContact OD2-NE 3.49Å; D487-R489 IonicContact OD2-NH2 2.7Å; D487-R489 PolarHBondContact OD2-NH2 3.3Å |
| 490 | G | 79.5 | Confident | 82.2 | Confident | 5 Ų | 5 | 71.7 Ų | 71.7 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | S | Bend | trans | 84 | 12.2 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I486 D487 | I486-G490 VanDerWaalsContact CG2-C 3.48Å; D487-G490 PolarHBondContact O-N 3.35Å; D487-G490 PolarHBondContact OD1-N 2.95Å |
| 491 | C | 85.8 | Confident | 83.2 | Confident | 4 Ų | 4 | 64.9 Ų | 64.9 | 3% | 0.027 | 32% | 0.317 | C | S | . | . | trans | -95.4 | 138.6 | -176.5 | -59.9 | 0 | 0 | 0 | 0 | 111.3 | I486 D487 T493 I546 | I486-C491 CarbonylContact C-O 3.28Å; I486-C491 WeakPolarHBondContact CA-O 3.36Å; D487-C491 PolarHBondContact N-O 2.93Å; D487-C491 WeakPolarHBondContact OD1-CB 3.18Å; D487-C491 PolarHBondContact OD1-N 2.82Å; C491-T493 PolarHBondContact O-N 3.3Å; C491-I546 HydrophobicContact CB-CG1 4.48Å; C491-I546 HydrophobicContact CB-CG2 4.33Å | ||
| 492 | P | 88.5 | Confident | 84 | Confident | 9 Ų | 9 | 62.9 Ų | 62.9 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -62.3 | 130.8 | 170.8 | -22.1 | 32.9 | 0 | 0 | 0 | 112.7 | L485 I486 N494 R495 M498 E500 | L485-P492 WeakPolarHBondContact O-CA 3.31Å; I486-P492 HydrophobicContact CD1-CB 4.18Å; I486-P492 HydrophobicContact CD1-CG 3.94Å; P492-N494 VanDerWaalsContact C-N 3.34Å; P492-R495 HydrophobicContact CB-CG 4.41Å; P492-M498 VanDerWaalsContact CB-O 3.3Å; P492-M498 WeakPolarHBondContact CB-O 3.49Å; P492-E500 HydrophobicContact CG-CB 3.95Å; P492-E500 VanDerWaalsContact CG-N 3.33Å |
| 493 | T | 85.9 | Confident | 83.9 | Confident | 70 Ų | 70 | 59.7 Ų | 59.7 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -71.9 | -32.3 | 173.6 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | L484 L485 D487 C491 | L484-T493 HydrophobicContact CB-CG2 4.18Å; L484-T493 HydrophobicContact CD2-CG2 3.81Å; L484-T493 HydrophobicContact CG-CG2 3.71Å; L484-T493 WeakPolarHBondContact O-CB 3.49Å; L484-T493 WeakPolarHBondContact O-CG2 3.24Å; L484-T493 PolarHBondContact O-OG1 3.13Å; L485-T493 PolarHBondContact O-N 3.23Å; L485-T493 PolarHBondContact O-OG1 3.15Å; D487-T493 HydrophobicContact CB-CG2 4.26Å; C491-T493 PolarHBondContact O-N 3.3Å |
| 494 | N | 84.3 | Confident | 83.3 | Confident | 69 Ų | 69 | 57.5 Ų | 57.5 | 37% | 0.369 | 28% | 0.281 | S | S | . | . | trans | -147.5 | 107.3 | 177.2 | -174.4 | -12.6 | 0 | 0 | 0 | 110.5 | P492 S496 I497 M498 | P492-N494 VanDerWaalsContact C-N 3.34Å; N494-S496 PolarHBondContact O-N 2.7Å; N494-S496 VanDerWaalsContact O-N 3.16Å; N494-S496 VanDerWaalsContact OD1-CB 3.27Å; N494-S496 WeakPolarHBondContact OD1-CB 3.1Å; N494-S496 PolarHBondContact OD1-N 3.35Å; N494-S496 PolarHBondContact OD1-OG 2.91Å; N494-I497 HydrophobicContact CB-CD1 4.13Å; N494-I497 HydrophobicContact CB-CG1 4.28Å; N494-I497 PolarHBondContact O-N 3.22Å; N494-M498 PolarHBondContact O-N 2.69Å; N494-M498 VanDerWaalsContact O-N 3.1Å | ||
| 495 | R | 84.5 | Confident | 82 | Confident | 111 Ų | 111 | 63.3 Ų | 63.3 | 42% | 0.419 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.5 | 178.5 | -71.2 | -169 | -179.9 | -113.6 | -17.7 | 113.9 | P492 I497 M498 E500 Y548 | P492-R495 HydrophobicContact CB-CG 4.41Å; R495-I497 PolarHBondContact O-N 3.02Å; R495-M498 WeakPolarHBondContact CA-O 3.47Å; R495-E500 IonicContact CZ-OE2 3.47Å; R495-E500 IonicContact NH1-OE2 3.4Å; R495-E500 PolarHBondContact NH1-OE2 2.76Å; R495-E500 IonicContact NH2-OE2 2.81Å; R495-E500 PolarHBondContact NH2-OE2 3.41Å; R495-Y548 VanDerWaalsContact CZ-OH 3.23Å; R495-Y548 PolarHBondContact NE-OH 3.07Å; R495-Y548 PolarHBondContact NH2-OH 3.08Å |
| 496 | S | 79.5 | Confident | 80 | Confident | 98 Ų | 98 | 74.4 Ų | 74.4 | 69% | 0.685 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -16.2 | 174 | -55.5 | 0 | 0 | 0 | 0 | 112.9 | N494 | N494-S496 PolarHBondContact O-N 2.7Å; N494-S496 VanDerWaalsContact O-N 3.16Å; N494-S496 VanDerWaalsContact OD1-CB 3.27Å; N494-S496 WeakPolarHBondContact OD1-CB 3.1Å; N494-S496 PolarHBondContact OD1-N 3.35Å; N494-S496 PolarHBondContact OD1-OG 2.91Å |
| 497 | I | 81.8 | Confident | 77.8 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 28% | 0.282 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -43 | -178.9 | -57.3 | 175.1 | 0 | 0 | 0 | 110.9 | L485 N494 R495 F517 W518 | L485-I497 HydrophobicContact CD2-CG2 3.85Å; N494-I497 HydrophobicContact CB-CD1 4.13Å; N494-I497 HydrophobicContact CB-CG1 4.28Å; N494-I497 PolarHBondContact O-N 3.22Å; R495-I497 PolarHBondContact O-N 3.02Å; I497-F517 HydrophobicContact CG2-CE2 4.1Å; I497-W518 PolarHBondContact O-N 3.39Å |
| 498 | M | 85.5 | Confident | 75.7 | Confident | 0 Ų | 0 | 86.9 Ų | 86.9 | 0% | 0 | 42% | 0.415 | C | S | . | . | B | Isolated β-bridge | trans | -146 | 137.2 | -177.2 | -170.2 | 168 | 178.5 | 0 | 0 | 110.8 | I455 L485 I486 P492 N494 R495 F501 A515 R516 F517 | I455-M498 HydrophobicContact CD1-CE 3.77Å; I455-M498 HydrophobicContact CD1-SD 4.22Å; L485-M498 HydrophobicContact CB-CB 4.42Å; L485-M498 HydrophobicContact CB-SD 3.62Å; L485-M498 HydrophobicContact CD1-SD 3.83Å; L485-M498 HydrophobicContact CG-SD 4.35Å; I486-M498 HydrophobicContact CD1-CE 4.21Å; I486-M498 HydrophobicContact CD1-CG 4.23Å; I486-M498 HydrophobicContact CD1-SD 4.09Å; I486-M498 HydrophobicContact CG1-CE 3.94Å; I486-M498 HydrophobicContact CG1-SD 3.86Å; P492-M498 VanDerWaalsContact CB-O 3.3Å; P492-M498 WeakPolarHBondContact CB-O 3.49Å; N494-M498 PolarHBondContact O-N 2.69Å; N494-M498 VanDerWaalsContact O-N 3.1Å; R495-M498 WeakPolarHBondContact CA-O 3.47Å; M498-F501 HydrophobicContact CE-CD2 4.16Å; M498-F501 HydrophobicContact CE-CE1 4.46Å; M498-F501 HydrophobicContact CE-CE2 3.23Å; M498-F501 HydrophobicContact CE-CZ 3.43Å; M498-F501 VanDerWaalsContact CE-CZ 3.43Å; M498-A515 HydrophobicContact CE-CB 3.56Å; M498-R516 WeakPolarHBondContact CA-O 3.45Å; M498-F517 HydrophobicContact CB-CD2 4.32Å; M498-F517 HydrophobicContact CG-CD2 4.43Å; M498-F517 HydrophobicContact SD-CD2 4.43Å |
| 499 | D | 88.6 | Confident | 74.2 | Confident | 41 Ų | 41 | 87.9 Ų | 87.9 | 22% | 0.219 | 42% | 0.417 | C | S | . | . | P | Polyproline II helix | trans | -86.4 | 168.7 | 173.9 | -74.9 | -28.9 | 0 | 0 | 0 | 111.3 | R516 | D499-R516 HydrophobicContact CB-CB 4.04Å; D499-R516 PolarHBondContact N-O 2.9Å; D499-R516 WeakPolarHBondContact OD2-CB 3.36Å; D499-R516 IonicContact OD2-NH1 2.85Å |
| 500 | E | 86.3 | Confident | 73 | Confident | 80 Ų | 80 | 82.2 Ų | 82.2 | 37% | 0.374 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -66 | 147.1 | 173.1 | 62 | -157.2 | -140.4 | 0 | 0 | 111.7 | P492 R495 Y502 I546 | P492-E500 HydrophobicContact CG-CB 3.95Å; P492-E500 VanDerWaalsContact CG-N 3.33Å; R495-E500 IonicContact CZ-OE2 3.47Å; R495-E500 IonicContact NH1-OE2 3.4Å; R495-E500 PolarHBondContact NH1-OE2 2.76Å; R495-E500 IonicContact NH2-OE2 2.81Å; R495-E500 PolarHBondContact NH2-OE2 3.41Å; E500-Y502 PolarHBondContact O-N 3.47Å; E500-I546 HydrophobicContact CB-CD1 4.26Å; E500-I546 WeakPolarHBondContact OE2-CD1 3.25Å |
| 501 | F | 88 | Confident | 72.3 | Confident | 25 Ų | 25 | 83.3 Ų | 83.3 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 119.5 | 173.6 | -82.3 | -86.3 | 0 | 0 | 0 | 110.3 | I455 I457 V471 I486 M498 Q513 R514 A515 | I455-F501 HydrophobicContact CB-CE1 4.5Å; I455-F501 HydrophobicContact CB-CZ 4.39Å; I455-F501 HydrophobicContact CG2-CE1 4.2Å; I455-F501 HydrophobicContact CG2-CZ 4.01Å; I457-F501 HydrophobicContact CD1-CE1 4.05Å; I457-F501 HydrophobicContact CD1-CZ 4.1Å; I457-F501 HydrophobicContact CG1-CE1 4.47Å; V471-F501 HydrophobicContact CB-CD2 3.62Å; V471-F501 HydrophobicContact CB-CE2 3.83Å; V471-F501 HydrophobicContact CB-CG 4.01Å; V471-F501 HydrophobicContact CB-CZ 4.4Å; V471-F501 HydrophobicContact CG1-CD2 3.85Å; V471-F501 HydrophobicContact CG1-CE2 3.56Å; V471-F501 HydrophobicContact CG1-CZ 4.16Å; V471-F501 HydrophobicContact CG2-CB 4.39Å; V471-F501 HydrophobicContact CG2-CD1 3.77Å; V471-F501 HydrophobicContact CG2-CD2 3.73Å; V471-F501 HydrophobicContact CG2-CE1 3.88Å; V471-F501 HydrophobicContact CG2-CE2 3.82Å; V471-F501 HydrophobicContact CG2-CG 3.69Å; V471-F501 HydrophobicContact CG2-CZ 3.9Å; I486-F501 HydrophobicContact CD1-CD2 4.4Å; I486-F501 HydrophobicContact CD1-CE2 4.49Å; I486-F501 HydrophobicContact CG1-CD2 4.3Å; I486-F501 HydrophobicContact CG1-CE2 4.02Å; M498-F501 HydrophobicContact CE-CD2 4.16Å; M498-F501 HydrophobicContact CE-CE1 4.46Å; M498-F501 HydrophobicContact CE-CE2 3.23Å; M498-F501 HydrophobicContact CE-CZ 3.43Å; M498-F501 VanDerWaalsContact CE-CZ 3.43Å; F501-Q513 HydrophobicContact CB-CB 4.39Å; F501-Q513 HydrophobicContact CD1-CB 3.94Å; F501-R514 WeakPolarHBondContact CA-O 3.24Å; F501-A515 HydrophobicContact CD1-CB 3.63Å; F501-A515 HydrophobicContact CD2-CB 3.87Å; F501-A515 HydrophobicContact CE1-CB 3.68Å; F501-A515 HydrophobicContact CE2-CB 3.9Å; F501-A515 HydrophobicContact CG-CB 3.74Å; F501-A515 HydrophobicContact CZ-CB 3.82Å |
| 502 | Y | 85.9 | Confident | 72 | Confident | 107 Ų | 107 | 83.4 Ų | 83.4 | 42% | 0.42 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 147.3 | 171.9 | 64 | -86.5 | 0 | 0 | 0 | 110.4 | E500 T504 Q513 R514 | E500-Y502 PolarHBondContact O-N 3.47Å; Y502-T504 HydrophobicContact CD2-CG2 4.08Å; Y502-T504 HydrophobicContact CE2-CG2 3.57Å; Y502-T504 PolarHBondContact O-N 3.26Å; Y502-Q513 WeakPolarHBondContact O-CA 3.48Å; Y502-R514 WeakPolarHBondContact CD1-O 3.46Å; Y502-R514 HydrophobicContact CE1-CB 4.25Å; Y502-R514 HydrophobicContact CE1-CG 4.38Å; Y502-R514 VanDerWaalsContact CE1-O 3.25Å; Y502-R514 WeakPolarHBondContact CE1-O 3.32Å; Y502-R514 HydrophobicContact CE2-CB 4.26Å; Y502-R514 PolarHBondContact N-O 3.49Å; Y502-R514 PolarHBondContact O-N 3.04Å; Y502-R514 WeakPolarHBondContact OH-CD 3.41Å |
| 503 | Q | 77 | Confident | 71.9 | Confident | 100 Ų | 100 | 83.6 Ų | 83.6 | 47% | 0.467 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 128.7 | 175.3 | -70.8 | -177.1 | 1.9 | 0 | 0 | 110.3 | S512 Q513 | Q503-S512 WeakPolarHBondContact CA-O 3.45Å; Q503-Q513 HydrophobicContact CG-CG 4.23Å |
| 504 | T | 69.4 | Low | 72.1 | Confident | 26 Ų | 26 | 81.8 Ų | 81.8 | 16% | 0.16 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 116.6 | 172.9 | 46.3 | 0 | 0 | 0 | 0 | 109.1 | Y502 W506 S512 R514 | Y502-T504 HydrophobicContact CD2-CG2 4.08Å; Y502-T504 HydrophobicContact CE2-CG2 3.57Å; Y502-T504 PolarHBondContact O-N 3.26Å; T504-W506 PolarHBondContact O-N 3.27Å; T504-W506 VanDerWaalsContact O-N 3.14Å; T504-S512 PolarHBondContact N-O 3.44Å; T504-S512 WeakPolarHBondContact OG1-CB 3.2Å; T504-S512 PolarHBondContact OG1-O 2.81Å; T504-S512 PolarHBondContact OG1-OG 3.43Å; T504-R514 HydrophobicContact CG2-CB 3.63Å |
| 505 | K | 55.3 | Low | 72.3 | Confident | 202 Ų | 202 | 78.5 Ų | 78.5 | 88% | 0.878 | 38% | 0.384 | S | S | * | . | trans | -82.7 | 82.3 | 171.8 | -73.9 | -172.1 | 178.4 | 179.8 | 0 | 109.6 | G507 | K505-G507 PolarHBondContact O-N 3.41Š| ||
| 506 | W | 45.1 | Very low | 72.5 | Confident | 238 Ų | 238 | 77.8 Ų | 77.8 | 90% | 0.902 | 38% | 0.381 | S | S | * | . | trans | -94.1 | 83.1 | 168.8 | -156.4 | -82.9 | 0 | 0 | 0 | 110.6 | T504 | T504-W506 PolarHBondContact O-N 3.27Å; T504-W506 VanDerWaalsContact O-N 3.14Å | ||
| 507 | G | 41.6 | Very low | 72.8 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 63% | 0.629 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 70.9 | 173.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K505 K509 | K505-G507 PolarHBondContact O-N 3.41Å; G507-K509 PolarHBondContact O-N 3.24Å |
| 508 | F | 39.6 | Very low | 72.6 | Confident | 223 Ų | 223 | 76.1 Ų | 76.1 | 98% | 0.978 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | 13 | -172.6 | -82.4 | -89.4 | 0 | 0 | 0 | 116.4 | ||
| 509 | K | 47.5 | Very low | 71.6 | Confident | 162 Ų | 162 | 76.9 Ų | 76.9 | 70% | 0.704 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -144.1 | 36 | -162.3 | -73.4 | -169.1 | 177 | 178.9 | 0 | 117.7 | R464 G507 | R464-K509 VanDerWaalsContact CD-O 3.29Å; R464-K509 WeakPolarHBondContact CD-O 3.33Å; R464-K509 PolarHBondContact NE-O 3.12Å; R464-K509 PolarHBondContact NH1-O 3.18Å; G507-K509 PolarHBondContact O-N 3.24Å |
| 510 | G | 53.7 | Low | 70.3 | Confident | 40 Ų | 40 | 77.9 Ų | 77.9 | 41% | 0.412 | 37% | 0.37 | S | S | . | . | trans | 166.1 | 142.8 | 161.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 511 | S | 65.5 | Low | 68.8 | Low | 28 Ų | 28 | 75.8 Ų | 75.8 | 20% | 0.196 | 36% | 0.363 | C | S | . | . | trans | -73.2 | 124 | 167.9 | -42.3 | 0 | 0 | 0 | 0 | 108 | K467 N468 F469 | K467-S511 PolarHBondContact O-OG 2.8Å; N468-S511 PolarHBondContact OD1-OG 2.04Å; N468-S511 VanDerWaalsContact OD1-OG 3.04Å; F469-S511 WeakPolarHBondContact CE1-O 3.31Å | ||
| 512 | S | 79 | Confident | 66.9 | Low | 7 Ų | 7 | 81.3 Ų | 81.3 | 5% | 0.049 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 143.7 | 172 | -179.7 | 0 | 0 | 0 | 0 | 107.9 | I457 N458 Q503 T504 | I457-S512 WeakPolarHBondContact O-CA 3.03Å; I457-S512 PolarHBondContact O-OG 2.71Å; N458-S512 WeakPolarHBondContact OD1-CB 3.28Å; N458-S512 PolarHBondContact OD1-OG 2.77Å; Q503-S512 WeakPolarHBondContact CA-O 3.45Å; T504-S512 PolarHBondContact N-O 3.44Å; T504-S512 WeakPolarHBondContact OG1-CB 3.2Å; T504-S512 PolarHBondContact OG1-O 2.81Å; T504-S512 PolarHBondContact OG1-OG 3.43Å |
| 513 | Q | 86.2 | Confident | 65.1 | Low | 13 Ų | 13 | 84.3 Ų | 84.3 | 6% | 0.061 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 136.5 | 176.4 | -67.5 | -157.3 | -11.4 | 0 | 0 | 110.1 | E456 I457 F469 F501 Y502 Q503 | E456-Q513 WeakPolarHBondContact CA-O 3.4Å; I457-Q513 PolarHBondContact N-O 2.81Å; I457-Q513 PolarHBondContact O-N 3.48Å; F469-Q513 HydrophobicContact CD2-CG 4.48Å; F469-Q513 HydrophobicContact CE2-CB 4.01Å; F469-Q513 HydrophobicContact CE2-CG 3.8Å; F469-Q513 HydrophobicContact CZ-CB 4.13Å; F469-Q513 HydrophobicContact CZ-CG 3.91Å; F469-Q513 PolarHBondContact O-NE2 3.25Å; F501-Q513 HydrophobicContact CB-CB 4.39Å; F501-Q513 HydrophobicContact CD1-CB 3.94Å; Y502-Q513 WeakPolarHBondContact O-CA 3.48Å; Q503-Q513 HydrophobicContact CG-CG 4.23Å |
| 514 | R | 89.3 | Confident | 63.9 | Low | 31 Ų | 31 | 87 Ų | 87 | 12% | 0.117 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 139.2 | -177.7 | -172.6 | 171.4 | 172.5 | 165.4 | 1.8 | 110.1 | D438 F454 I455 F501 Y502 T504 | D438-R514 PolarHBondContact O-NH2 2.97Å; F454-R514 HydrophobicContact CB-CG 3.89Å; F454-R514 HydrophobicContact CD1-CG 3.99Å; F454-R514 VanDerWaalsContact CE2-NH2 3.32Å; F454-R514 HydrophobicContact CG-CG 4.35Å; I455-R514 VanDerWaalsContact O-CA 3.31Å; I455-R514 WeakPolarHBondContact O-CA 3.1Å; F501-R514 WeakPolarHBondContact CA-O 3.24Å; Y502-R514 WeakPolarHBondContact CD1-O 3.46Å; Y502-R514 HydrophobicContact CE1-CB 4.25Å; Y502-R514 HydrophobicContact CE1-CG 4.38Å; Y502-R514 VanDerWaalsContact CE1-O 3.25Å; Y502-R514 WeakPolarHBondContact CE1-O 3.32Å; Y502-R514 HydrophobicContact CE2-CB 4.26Å; Y502-R514 PolarHBondContact N-O 3.49Å; Y502-R514 PolarHBondContact O-N 3.04Å; Y502-R514 WeakPolarHBondContact OH-CD 3.41Å; T504-R514 HydrophobicContact CG2-CB 3.63Å |
| 515 | A | 90 | Very high | 63 | Low | 0 Ų | 0 | 89 Ų | 89 | 0% | 0 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 142.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | F454 I455 M498 F501 | F454-A515 CarbonylContact C-O 3.58Å; F454-A515 VanDerWaalsContact CA-O 3.25Å; F454-A515 WeakPolarHBondContact CA-O 3.26Å; I455-A515 PolarHBondContact N-O 3.25Å; I455-A515 PolarHBondContact O-N 3.18Å; M498-A515 HydrophobicContact CE-CB 3.56Å; F501-A515 HydrophobicContact CD1-CB 3.63Å; F501-A515 HydrophobicContact CD2-CB 3.87Å; F501-A515 HydrophobicContact CE1-CB 3.68Å; F501-A515 HydrophobicContact CE2-CB 3.9Å; F501-A515 HydrophobicContact CG-CB 3.74Å; F501-A515 HydrophobicContact CZ-CB 3.82Å |
| 516 | R | 88.6 | Confident | 63.2 | Low | 97 Ų | 97 | 84.4 Ų | 84.4 | 37% | 0.366 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 140.8 | 173.6 | -170 | -176.7 | -74.1 | 159.3 | -12.4 | 109.6 | F454 M498 D499 | F454-R516 HydrophobicContact CD1-CB 4.05Å; F454-R516 HydrophobicContact CD1-CG 4.35Å; F454-R516 HydrophobicContact CE1-CB 3.99Å; F454-R516 HydrophobicContact CE1-CG 4.07Å; F454-R516 HydrophobicContact CZ-CG 4.37Å; M498-R516 WeakPolarHBondContact CA-O 3.45Å; D499-R516 HydrophobicContact CB-CB 4.04Å; D499-R516 PolarHBondContact N-O 2.9Å; D499-R516 WeakPolarHBondContact OD2-CB 3.36Å; D499-R516 IonicContact OD2-NH1 2.85Å |
| 517 | F | 85.5 | Confident | 64.1 | Low | 5 Ų | 5 | 78.5 Ų | 78.5 | 2% | 0.022 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 128.2 | -179 | 179.1 | -111.5 | 0 | 0 | 0 | 110.2 | L453 I455 L485 I497 M498 G519 I528 I530 | L453-F517 HydrophobicContact CD1-CD1 4.43Å; L453-F517 PolarHBondContact N-O 2.99Å; L453-F517 PolarHBondContact O-N 3Å; I455-F517 HydrophobicContact CD1-CB 3.99Å; I455-F517 HydrophobicContact CD1-CD2 4.24Å; I455-F517 HydrophobicContact CD1-CG 4.03Å; I455-F517 HydrophobicContact CG1-CB 4.14Å; L485-F517 HydrophobicContact CD1-CD2 4.3Å; L485-F517 HydrophobicContact CD1-CE2 3.79Å; L485-F517 HydrophobicContact CD2-CE2 4.24Å; I497-F517 HydrophobicContact CG2-CE2 4.1Å; M498-F517 HydrophobicContact CB-CD2 4.32Å; M498-F517 HydrophobicContact CG-CD2 4.43Å; M498-F517 HydrophobicContact SD-CD2 4.43Å; F517-G519 WeakPolarHBondContact CE1-O 3.34Å; F517-G519 VanDerWaalsContact CZ-CA 3.44Å; F517-G519 WeakPolarHBondContact CZ-O 3.11Å; F517-I528 HydrophobicContact CZ-CD1 4.1Å; F517-I530 HydrophobicContact CD1-CD1 4.17Å; F517-I530 HydrophobicContact CE1-CD1 3.7Å; F517-I530 HydrophobicContact CE2-CD1 4.13Å; F517-I530 HydrophobicContact CZ-CD1 3.68Å |
| 518 | W | 76.2 | Confident | 65.5 | Low | 112 Ų | 112 | 77.7 Ų | 77.7 | 42% | 0.424 | 37% | 0.374 | S | S | . | . | trans | -115 | 10.3 | -176.5 | -67.5 | 102.2 | 0 | 0 | 0 | 112.8 | P452 I497 | P452-W518 HydrophobicContact CB-CH2 4.23Å; P452-W518 HydrophobicContact CB-CZ3 4.48Å; I497-W518 PolarHBondContact O-N 3.39Å | ||
| 519 | G | 65.4 | Low | 67.2 | Low | 17 Ų | 17 | 70.2 Ų | 70.2 | 18% | 0.175 | 34% | 0.344 | C | S | . | . | trans | -84.6 | 123.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | F517 | F517-G519 WeakPolarHBondContact CE1-O 3.34Å; F517-G519 VanDerWaalsContact CZ-CA 3.44Å; F517-G519 WeakPolarHBondContact CZ-O 3.11Å | ||
| 520 | I | 61.3 | Low | 68.7 | Low | 62 Ų | 62 | 63 Ų | 63 | 32% | 0.318 | 31% | 0.313 | S | S | . | . | trans | -129.2 | 134.5 | 170.9 | -58.9 | 176.4 | 0 | 0 | 0 | 106.9 | E448 E449 L522 | E448-I520 WeakPolarHBondContact O-CD1 3.27Å; E449-I520 VanDerWaalsContact CA-CD1 3.47Å; E449-I520 HydrophobicContact CB-CD1 4.45Å; E449-I520 HydrophobicContact CG-CD1 4.49Å; I520-L522 PolarHBondContact O-N 2.8Å | ||
| 521 | P | 54.5 | Low | 70.1 | Confident | 36 Ų | 36 | 63.1 Ų | 63.1 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | trans | -61.3 | 135.2 | -176.3 | 21 | -30.5 | 0 | 0 | 0 | 112 | H523 Q525 | P521-H523 PolarHBondContact O-N 2.9Å; P521-Q525 WeakPolarHBondContact CB-O 3.37Å; P521-Q525 WeakPolarHBondContact CG-O 2.9Å | ||
| 522 | L | 49 | Very low | 71 | Confident | 141 Ų | 141 | 62.5 Ų | 62.5 | 74% | 0.738 | 30% | 0.3 | S | S | * | . | S | Bend | trans | -79.4 | 117.6 | 171.7 | -81.6 | 97.8 | 0 | 0 | 0 | 109 | I520 | I520-L522 PolarHBondContact O-N 2.8Š|
| 523 | H | 47.2 | Very low | 71.1 | Confident | 169 Ų | 169 | 63.3 Ų | 63.3 | 78% | 0.782 | 30% | 0.303 | S | S | * | . | S | Bend | trans | 84.9 | 172.6 | 176.6 | -51.4 | -48.8 | 0 | 0 | 0 | 115.9 | P521 Q525 | P521-H523 PolarHBondContact O-N 2.9Å; H523-Q525 PolarHBondContact O-N 2Å |
| 524 | D | 51.8 | Low | 70.8 | Confident | 156 Ų | 156 | 63.8 Ų | 63.8 | 83% | 0.834 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -47 | 7 | -163.7 | -113.6 | -12.3 | 0 | 0 | 0 | 118.9 | ||
| 525 | Q | 51.5 | Low | 70 | Confident | 69 Ų | 69 | 64.3 Ų | 64.3 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | trans | -93 | 106.2 | 176.5 | -64.2 | -75.2 | -67.8 | 0 | 0 | 110.2 | K479 P521 H523 R527 | K479-Q525 VanDerWaalsContact CE-CD 3.5Å; P521-Q525 WeakPolarHBondContact CB-O 3.37Å; P521-Q525 WeakPolarHBondContact CG-O 2.9Å; H523-Q525 PolarHBondContact O-N 2Å; Q525-R527 PolarHBondContact O-N 2.94Å | ||
| 526 | K | 59.2 | Low | 69.2 | Low | 106 Ų | 106 | 67.5 Ų | 67.5 | 46% | 0.461 | 33% | 0.326 | S | S | . | . | trans | -88.7 | 13.2 | -169.6 | -60.8 | -173.8 | 172.9 | -163.9 | 0 | 115.7 | V407 | V407-K526 HydrophobicContact CB-CD 3.98Å; V407-K526 HydrophobicContact CG2-CB 4.41Å; V407-K526 HydrophobicContact CG2-CD 3.85Å; V407-K526 HydrophobicContact CG2-CG 4.39Å | ||
| 527 | R | 64.5 | Low | 68.3 | Low | 113 Ų | 113 | 63.6 Ų | 63.6 | 43% | 0.426 | 31% | 0.314 | S | S | . | . | trans | -140 | 129.2 | -172.6 | -71.4 | -175.6 | 178.7 | -175.6 | -5.2 | 112.3 | D404 V405 Q525 | D404-R527 IonicContact OD1-CZ 2.75Å; D404-R527 IonicContact OD1-NE 3.67Å; D404-R527 IonicContact OD1-NH1 3.49Å; D404-R527 PolarHBondContact OD1-NH1 2.81Å; D404-R527 IonicContact OD1-NH2 2.63Å; D404-R527 PolarHBondContact OD1-NH2 3.39Å; D404-R527 IonicContact OD2-CZ 2.88Å; D404-R527 IonicContact OD2-NH1 3.6Å; D404-R527 PolarHBondContact OD2-NH1 3.4Å; D404-R527 IonicContact OD2-NH2 3.39Å; D404-R527 PolarHBondContact OD2-NH2 3.1Å; V405-R527 VanDerWaalsContact O-CG 3.24Å; V405-R527 WeakPolarHBondContact O-CG 2.95Å; V405-R527 PolarHBondContact O-NE 3.17Å; V405-R527 VanDerWaalsContact O-NE 3.17Å; Q525-R527 PolarHBondContact O-N 2.94Å | ||
| 528 | I | 69.4 | Low | 67.1 | Low | 44 Ų | 44 | 67.9 Ų | 67.9 | 23% | 0.226 | 34% | 0.336 | C | S | . | . | trans | -122.8 | 124.4 | 171.9 | -170.9 | 165.4 | 0 | 0 | 0 | 107.9 | A476 F517 I530 | A476-I528 HydrophobicContact CB-CD1 3.94Å; A476-I528 HydrophobicContact CB-CG1 4.06Å; F517-I528 HydrophobicContact CZ-CD1 4.1Å; I528-I530 HydrophobicContact CG1-CG1 4.47Å | ||
| 529 | N | 76.1 | Confident | 66.5 | Low | 66 Ų | 66 | 72.5 Ų | 72.5 | 35% | 0.353 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 127.4 | 177 | -70 | -27.9 | 0 | 0 | 0 | 108.7 | A476 Y477 | A476-N529 CarbonylContact C-O 3.53Å; A476-N529 WeakPolarHBondContact CA-O 3.05Å; Y477-N529 PolarHBondContact N-O 3.01Å; Y477-N529 PolarHBondContact O-N 3.3Å |
| 530 | I | 79.9 | Confident | 66.5 | Low | 10 Ų | 10 | 78.4 Ų | 78.4 | 5% | 0.051 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 121.3 | -179.5 | -55.3 | 177.9 | 0 | 0 | 0 | 108.4 | M434 I455 V475 L485 F517 I528 | M434-I530 WeakPolarHBondContact CE-O 3.39Å; I455-I530 HydrophobicContact CD1-CD1 3.8Å; I455-I530 HydrophobicContact CD1-CG2 4.11Å; V475-I530 WeakPolarHBondContact O-CA 3.41Å; L485-I530 HydrophobicContact CD1-CG2 4.16Å; F517-I530 HydrophobicContact CD1-CD1 4.17Å; F517-I530 HydrophobicContact CE1-CD1 3.7Å; F517-I530 HydrophobicContact CE2-CD1 4.13Å; F517-I530 HydrophobicContact CZ-CD1 3.68Å; I528-I530 HydrophobicContact CG1-CG1 4.47Å |
| 531 | N | 82.1 | Confident | 66.8 | Low | 44 Ų | 44 | 76.5 Ų | 76.5 | 24% | 0.235 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 123.7 | 175.7 | -59.7 | 3 | 0 | 0 | 0 | 108.6 | C474 V475 Y477 | C474-N531 CarbonylContact C-O 3.6Å; C474-N531 VanDerWaalsContact CA-O 3.27Å; C474-N531 WeakPolarHBondContact CA-O 3.46Å; V475-N531 PolarHBondContact N-O 3.46Å; V475-N531 PolarHBondContact O-N 3.18Å; Y477-N531 HydrophobicContact CE2-CB 3.9Å; Y477-N531 WeakPolarHBondContact CE2-ND2 3.11Å |
| 532 | C | 84.9 | Confident | 67.2 | Low | 15 Ų | 15 | 79.4 Ų | 79.4 | 10% | 0.101 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 134.4 | 176.8 | -67.2 | 0 | 0 | 0 | 0 | 110.6 | M434 I457 V471 D473 C474 | M434-C532 HydrophobicContact SD-CB 4.49Å; I457-C532 HydrophobicContact CD1-CB 3.93Å; V471-C532 HydrophobicContact CG1-CB 4.2Å; D473-C532 CarbonylContact O-C 3.55Å; D473-C532 VanDerWaalsContact O-CA 3.25Å; D473-C532 WeakPolarHBondContact O-CA 3.45Å; C474-C532 HydrophobicContact CB-CB 4.21Å; C474-C532 WeakPolarHBondContact CB-SG 3.44Å; C474-C532 WeakPolarHBondContact SG-CB 3.4Å; C474-C532 CovalentContact SG-SG 2.05Å; C474-C532 PolarHBondContact SG-SG 3.29Å |
| 533 | N | 81 | Confident | 67.7 | Low | 23 Ų | 23 | 77.3 Ų | 77.3 | 12% | 0.123 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 143 | 174 | -66.6 | -39.8 | 0 | 0 | 0 | 110.2 | N397 V471 T472 D473 | N397-N533 PolarHBondContact O-OD1 3.46Å; V471-N533 WeakPolarHBondContact CA-O 3.36Å; T472-N533 PolarHBondContact N-O 3.47Å; T472-N533 WeakPolarHBondContact OG1-CB 3.42Å; T472-N533 PolarHBondContact OG1-O 3.1Å; D473-N533 PolarHBondContact O-N 3.06Å; D473-N533 VanDerWaalsContact OD1-CB 3.29Å; D473-N533 WeakPolarHBondContact OD1-CB 3.25Å; D473-N533 PolarHBondContact OD1-ND2 2.74Å; D473-N533 PolarHBondContact OD2-ND2 2.88Å |
| 534 | V | 78.5 | Confident | 68.3 | Low | 23 Ų | 23 | 72 Ų | 72 | 14% | 0.139 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 139.2 | 179.2 | -66.5 | 0 | 0 | 0 | 0 | 111.5 | I399 A432 I457 F469 F470 V471 F536 | I399-V534 HydrophobicContact CD1-CG2 4.45Å; A432-V534 HydrophobicContact CB-CG2 4.26Å; I457-V534 HydrophobicContact CD1-CG1 4.25Å; I457-V534 HydrophobicContact CG2-CG1 4.06Å; F469-V534 HydrophobicContact CD2-CB 4.21Å; F469-V534 HydrophobicContact CD2-CG1 3.98Å; F469-V534 HydrophobicContact CE2-CG1 4.31Å; F470-V534 WeakPolarHBondContact O-CA 3.23Å; V471-V534 HydrophobicContact CG2-CG1 4.21Å; V534-F536 HydrophobicContact CG2-CE2 4.45Å; V534-F536 HydrophobicContact CG2-CZ 4.4Å |
| 535 | N | 73.3 | Confident | 68.5 | Low | 43 Ų | 43 | 75.3 Ų | 75.3 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.3 | 170.8 | -87.2 | -11.4 | 0 | 0 | 0 | 110.4 | F469 F470 T472 | F469-N535 CarbonylContact C-O 3.57Å; F469-N535 WeakPolarHBondContact CA-O 3.17Å; F469-N535 WeakPolarHBondContact CB-O 3.16Å; F470-N535 HydrophobicContact CD1-CB 3.98Å; F470-N535 WeakPolarHBondContact CD1-O 3.49Å; F470-N535 HydrophobicContact CE1-CB 3.41Å; F470-N535 VanDerWaalsContact CE1-CB 3.41Å; F470-N535 HydrophobicContact CE2-CB 4.47Å; F470-N535 HydrophobicContact CZ-CB 3.71Å; F470-N535 PolarHBondContact N-O 3.29Å; F470-N535 PolarHBondContact O-N 3.19Å; T472-N535 HydrophobicContact CG2-CB 3.69Å; T472-N535 WeakPolarHBondContact CG2-ND2 3.16Å |
| 536 | F | 73.7 | Confident | 68.8 | Low | 67 Ų | 67 | 73.9 Ų | 73.9 | 29% | 0.294 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 131.9 | 177.2 | -61.8 | -84.2 | 0 | 0 | 0 | 110.6 | P430 L459 F469 V534 | P430-F536 HydrophobicContact CB-CD1 4.35Å; P430-F536 HydrophobicContact CB-CE1 3.58Å; P430-F536 HydrophobicContact CB-CZ 3.75Å; P430-F536 HydrophobicContact CG-CD1 4.14Å; P430-F536 HydrophobicContact CG-CE1 3.85Å; P430-F536 HydrophobicContact CG-CZ 4.2Å; P430-F536 WeakPolarHBondContact O-CZ 3.48Å; L459-F536 HydrophobicContact CD2-CE1 3.62Å; L459-F536 HydrophobicContact CD2-CZ 4.29Å; F469-F536 HydrophobicContact CB-CD1 3.92Å; F469-F536 HydrophobicContact CB-CE1 4.25Å; V534-F536 HydrophobicContact CG2-CE2 4.45Å; V534-F536 HydrophobicContact CG2-CZ 4.4Å |
| 537 | C | 68.8 | Low | 68.3 | Low | 14 Ų | 14 | 73.5 Ų | 73.5 | 10% | 0.095 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 137.5 | 174.4 | -52.8 | 0 | 0 | 0 | 0 | 109.4 | N468 F470 R539 C541 | N468-C537 HydrophobicContact CB-CB 4.15Å; N468-C537 PolarHBondContact O-N 2.88Å; F470-C537 WeakPolarHBondContact CD1-SG 3.34Å; C537-R539 VanDerWaalsContact C-N 3.25Å; C537-R539 VanDerWaalsContact CB-O 3.23Å; C537-R539 WeakPolarHBondContact CB-O 3.23Å; C537-R539 PolarHBondContact O-N 3.5Å; C537-C541 HydrophobicContact CB-CB 4.13Å; C537-C541 WeakPolarHBondContact CB-SG 3.38Å; C537-C541 WeakPolarHBondContact SG-CA 2.79Å; C537-C541 WeakPolarHBondContact SG-CB 2.78Å; C537-C541 CovalentContact SG-SG 2.04Å; C537-C541 PolarHBondContact SG-SG 3.1Å |
| 538 | L | 60.4 | Low | 67.4 | Low | 96 Ų | 96 | 73.6 Ų | 73.6 | 50% | 0.503 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -73.4 | -20 | 173.9 | -70.9 | 162.7 | 0 | 0 | 0 | 112.8 | H308 | H308-L538 HydrophobicContact CB-CD1 3.89Å; H308-L538 HydrophobicContact CB-CD2 3.84Å |
| 539 | R | 63.7 | Low | 65.6 | Low | 209 Ų | 209 | 80.7 Ų | 80.7 | 79% | 0.789 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -140.7 | -152.2 | 178.9 | -65.7 | -172.5 | 176.8 | 175.3 | -0.8 | 108.7 | N468 C537 C541 | N468-R539 PolarHBondContact ND2-O 3.47Å; C537-R539 VanDerWaalsContact C-N 3.25Å; C537-R539 VanDerWaalsContact CB-O 3.23Å; C537-R539 WeakPolarHBondContact CB-O 3.23Å; C537-R539 PolarHBondContact O-N 3.5Å; R539-C541 PolarHBondContact O-N 2.71Å |
| 540 | D | 66.8 | Low | 63.5 | Low | 141 Ų | 141 | 86.1 Ų | 86.1 | 75% | 0.754 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -55.7 | 131.5 | 167.6 | -58.7 | -43.3 | 0 | 0 | 0 | 110.4 | ||
| 541 | C | 67.3 | Low | 61.1 | Low | 22 Ų | 22 | 91.7 Ų | 91.7 | 15% | 0.149 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 142.5 | 174.5 | -65.1 | 0 | 0 | 0 | 0 | 109.3 | F469 F470 C537 R539 S543 | F469-C541 PolarHBondContact O-SG 2.85Å; F470-C541 HydrophobicContact CB-CB 4.38Å; F470-C541 HydrophobicContact CD1-CB 4.45Å; C537-C541 HydrophobicContact CB-CB 4.13Å; C537-C541 WeakPolarHBondContact CB-SG 3.38Å; C537-C541 WeakPolarHBondContact SG-CA 2.79Å; C537-C541 WeakPolarHBondContact SG-CB 2.78Å; C537-C541 CovalentContact SG-SG 2.04Å; C537-C541 PolarHBondContact SG-SG 3.1Å; R539-C541 PolarHBondContact O-N 2.71Å; C541-S543 PolarHBondContact O-N 2.85Å |
| 542 | P | 61.7 | Low | 58.5 | Low | 97 Ų | 97 | 99.3 Ų | 99.3 | 63% | 0.63 | 47% | 0.474 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 136.5 | 173.2 | 23.3 | -31.3 | 0 | 0 | 0 | 109.4 | V544 | P542-V544 PolarHBondContact O-N 3.31Š|
| 543 | S | 60.2 | Low | 55.8 | Low | 97 Ų | 97 | 103.2 Ų | 103.2 | 68% | 0.678 | 50% | 0.501 | S | S | * | . | P | Polyproline II helix | trans | -60.8 | 128.1 | 171.1 | 46.7 | 0 | 0 | 0 | 0 | 108.5 | C541 R545 | C541-S543 PolarHBondContact O-N 2.85Å; S543-R545 PolarHBondContact O-N 3.21Å |
| 544 | V | 60 | Low | 53.4 | Low | 58 Ų | 58 | 107.1 Ų | 107.1 | 35% | 0.352 | 53% | 0.527 | S | S | . | . | trans | -60.5 | 103.4 | 176 | -178 | 0 | 0 | 0 | 0 | 107 | P542 I546 | P542-V544 PolarHBondContact O-N 3.31Å; V544-I546 HydrophobicContact CG1-CD1 4.37Å; V544-I546 HydrophobicContact CG1-CG1 3.75Å; V544-I546 PolarHBondContact O-N 2.82Å | ||
| 545 | R | 55.8 | Low | 51.4 | Low | 224 Ų | 224 | 115.3 Ų | 115.3 | 85% | 0.845 | 56% | 0.562 | S | S | * | * | trans | -83.2 | 96.8 | 176.1 | -79.6 | -169.9 | 178.2 | -170.3 | -0.2 | 108.2 | S543 D547 | S543-R545 PolarHBondContact O-N 3.21Å; R545-D547 PolarHBondContact O-N 2.77Å | ||
| 546 | I | 58 | Low | 49.5 | Very low | 40 Ų | 40 | 126.8 Ų | 126.8 | 21% | 0.205 | 61% | 0.609 | C | S | . | * | trans | -85.2 | 88.1 | 176.6 | -45.4 | 175.2 | 0 | 0 | 0 | 108.4 | C491 E500 V544 Y548 | C491-I546 HydrophobicContact CB-CG1 4.48Å; C491-I546 HydrophobicContact CB-CG2 4.33Å; E500-I546 HydrophobicContact CB-CD1 4.26Å; E500-I546 WeakPolarHBondContact OE2-CD1 3.25Å; V544-I546 HydrophobicContact CG1-CD1 4.37Å; V544-I546 HydrophobicContact CG1-CG1 3.75Å; V544-I546 PolarHBondContact O-N 2.82Å; I546-Y548 HydrophobicContact CB-CE2 4.13Å; I546-Y548 HydrophobicContact CG2-CD1 4.42Å; I546-Y548 HydrophobicContact CG2-CD2 3.9Å; I546-Y548 HydrophobicContact CG2-CE1 3.89Å; I546-Y548 HydrophobicContact CG2-CE2 3.3Å; I546-Y548 HydrophobicContact CG2-CG 4.4Å; I546-Y548 WeakPolarHBondContact CG2-OH 3.47Å; I546-Y548 PolarHBondContact O-N 3.07Å | ||
| 547 | D | 49 | Very low | 48.3 | Very low | 97 Ų | 97 | 129.8 Ų | 129.8 | 52% | 0.519 | 63% | 0.625 | S | S | . | * | trans | -84.8 | 96.7 | 173 | -162.1 | -1.2 | 0 | 0 | 0 | 108.7 | R545 R549 | R545-D547 PolarHBondContact O-N 2.77Å; D547-R549 PolarHBondContact O-N 3.11Å; D547-R549 IonicContact OD1-NE 3.78Å; D547-R549 IonicContact OD2-CZ 3.41Å; D547-R549 IonicContact OD2-NE 2.86Å; D547-R549 PolarHBondContact OD2-NE 3.29Å; D547-R549 IonicContact OD2-NH2 3.12Å; D547-R549 PolarHBondContact OD2-NH2 3.25Å; D547-R549 VanDerWaalsContact OD2-NH2 3.12Å | ||
| 548 | Y | 44.2 | Very low | 47.2 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 45% | 0.451 | 65% | 0.653 | S | S | . | * | trans | -73.7 | 70.8 | 171.8 | -69.5 | -71.7 | 0 | 0 | 0 | 110.1 | R495 I546 F550 | R495-Y548 VanDerWaalsContact CZ-OH 3.23Å; R495-Y548 PolarHBondContact NE-OH 3.07Å; R495-Y548 PolarHBondContact NH2-OH 3.08Å; I546-Y548 HydrophobicContact CB-CE2 4.13Å; I546-Y548 HydrophobicContact CG2-CD1 4.42Å; I546-Y548 HydrophobicContact CG2-CD2 3.9Å; I546-Y548 HydrophobicContact CG2-CE1 3.89Å; I546-Y548 HydrophobicContact CG2-CE2 3.3Å; I546-Y548 HydrophobicContact CG2-CG 4.4Å; I546-Y548 WeakPolarHBondContact CG2-OH 3.47Å; I546-Y548 PolarHBondContact O-N 3.07Å; Y548-F550 PolarHBondContact O-N 3.2Å | ||
| 549 | R | 32.3 | Very low | 46.5 | Very low | 193 Ų | 193 | 138.1 Ų | 138.1 | 73% | 0.728 | 66% | 0.661 | S | S | * | * | trans | -80.6 | 103.4 | 163.7 | -68.2 | -170.1 | -159.7 | -172.5 | 3.3 | 108.5 | D547 V551 | D547-R549 PolarHBondContact O-N 3.11Å; D547-R549 IonicContact OD1-NE 3.78Å; D547-R549 IonicContact OD2-CZ 3.41Å; D547-R549 IonicContact OD2-NE 2.86Å; D547-R549 PolarHBondContact OD2-NE 3.29Å; D547-R549 IonicContact OD2-NH2 3.12Å; D547-R549 PolarHBondContact OD2-NH2 3.25Å; D547-R549 VanDerWaalsContact OD2-NH2 3.12Å; R549-V551 VanDerWaalsContact C-N 3.31Å; R549-V551 PolarHBondContact O-N 3.42Å | ||
| 550 | F | 32.3 | Very low | 45.5 | Very low | 181 Ų | 181 | 133.9 Ų | 133.9 | 79% | 0.794 | 65% | 0.654 | S | S | * | * | trans | -55.4 | 98.6 | 159.7 | -72.3 | -88.1 | 0 | 0 | 0 | 108.1 | Y548 Y552 | Y548-F550 PolarHBondContact O-N 3.2Å; F550-Y552 HydrophobicContact CB-CD2 4.36Å; F550-Y552 PolarHBondContact O-N 3.28Å | ||
| 551 | V | 28.6 | Very low | 44.1 | Very low | 127 Ų | 127 | 133.4 Ų | 133.4 | 77% | 0.77 | 65% | 0.648 | S | S | * | * | trans | -77.4 | 86.4 | 165.2 | -176.7 | 0 | 0 | 0 | 0 | 106.2 | R549 S553 | R549-V551 VanDerWaalsContact C-N 3.31Å; R549-V551 PolarHBondContact O-N 3.42Å; V551-S553 PolarHBondContact O-N 3.47Å; V551-S553 VanDerWaalsContact O-N 3.17Å | ||
| 552 | Y | 29 | Very low | 42.6 | Very low | 204 Ų | 204 | 140.9 Ų | 140.9 | 80% | 0.8 | 68% | 0.681 | S | S | * | * | trans | -64.2 | 107.2 | 154.3 | -91.3 | -88.6 | 0 | 0 | 0 | 106.3 | F550 P554 | F550-Y552 HydrophobicContact CB-CD2 4.36Å; F550-Y552 PolarHBondContact O-N 3.28Å; Y552-P554 WeakPolarHBondContact O-CD 3.4Å | ||
| 553 | S | 28.1 | Very low | 41.2 | Very low | 97 Ų | 97 | 144 Ų | 144 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | trans | -86.4 | 115.8 | 162.2 | 177.9 | 0 | 0 | 0 | 0 | 107.7 | V551 | V551-S553 PolarHBondContact O-N 3.47Å; V551-S553 VanDerWaalsContact O-N 3.17Å | ||
| 554 | P | 29.5 | Very low | 39.8 | Very low | 104 Ų | 104 | 147.6 Ų | 147.6 | 68% | 0.675 | 69% | 0.685 | S | S | * | * | trans | -104.4 | 86.9 | 168.9 | 34.4 | -19.5 | 0 | 0 | 0 | 108.1 | Y552 | Y552-P554 WeakPolarHBondContact O-CD 3.4Š| ||
| 555 | F | 36.6 | Very low | 38.1 | Very low | 195 Ų | 195 | 155.1 Ų | 155.1 | 86% | 0.855 | 71% | 0.713 | S | S | * | * | trans | -144.3 | 136.7 | 160.2 | -84.2 | -76.1 | 0 | 0 | 0 | 110.3 | ||||
| 556 | K | 33.4 | Very low | 36.5 | Very low | 284 Ų | 284 | 148.8 Ų | 148.8 | 100% | 1.235 | 70% | 0.701 | S | S | * | * | trans | -36.9 | 0 | -179.7 | -84.9 | 176 | 168.6 | 177.4 | 0 | 115.9 |
Retrieved 556 of 556 residues in 334.6 ms
(Link to these results)