| 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 | 33 | Very low | 37.3 | Very low | 236 Ų | 236 | 189.2 Ų | 189.2 | 100% | 1.163 | 87% | 0.87 | S | S | * | * | 0 | 99.8 | 0 | -176.9 | -169.7 | -100.8 | 0 | 0 | 108.7 | |||||
| 2 | M | 26.4 | Very low | 40.7 | Very low | 181 Ų | 181 | 180.7 Ų | 180.7 | 89% | 0.892 | 84% | 0.836 | S | S | * | * | trans | -97 | 125.3 | 176.9 | -76.9 | -174.3 | 172.6 | 0 | 0 | 110.3 | F4 | M2-F4 PolarHBondContact O-N 3.45Š| ||
| 3 | K | 31 | Very low | 43.8 | Very low | 196 Ų | 196 | 174.9 Ų | 174.9 | 85% | 0.852 | 83% | 0.825 | S | S | * | * | trans | -75.2 | 108.9 | 174 | -71.1 | -174.7 | 176 | -176.7 | 0 | 109.5 | R5 | K3-R5 PolarHBondContact O-N 2.91Š| ||
| 4 | F | 31.7 | Very low | 46.7 | Very low | 195 Ų | 195 | 172.2 Ų | 172.2 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | trans | -64.6 | 95.5 | 167.5 | -84.4 | -89.7 | 0 | 0 | 0 | 109.5 | M2 F6 | M2-F4 PolarHBondContact O-N 3.45Å; F4-F6 PolarHBondContact O-N 3.08Å; F4-F6 VanDerWaalsContact O-N 3.17Å | ||
| 5 | R | 30.3 | Very low | 49.4 | Very low | 239 Ų | 239 | 164.4 Ų | 164.4 | 90% | 0.902 | 77% | 0.771 | S | S | * | * | trans | -65.2 | 111.7 | 165.5 | -81.5 | -179.9 | 166.7 | 165.4 | -5 | 108.1 | K3 R7 | K3-R5 PolarHBondContact O-N 2.91Å; R5-R7 PolarHBondContact O-N 3.19Å | ||
| 6 | F | 34.5 | Very low | 51.7 | Low | 205 Ų | 205 | 158.5 Ų | 158.5 | 90% | 0.899 | 74% | 0.744 | S | S | * | * | trans | -59.2 | 103.2 | 162.3 | -79.7 | -93 | 0 | 0 | 0 | 108.3 | F4 R8 | F4-F6 PolarHBondContact O-N 3.08Å; F4-F6 VanDerWaalsContact O-N 3.17Å; F6-R8 PolarHBondContact O-N 2.83Å; F6-R8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | R | 32.5 | Very low | 53.9 | Low | 234 Ų | 234 | 156.2 Ų | 156.2 | 88% | 0.883 | 73% | 0.731 | S | S | * | * | trans | -61.3 | 112 | 159.7 | -88.3 | -175.8 | 167.4 | -179.2 | -4.3 | 106.4 | R5 Q9 | R5-R7 PolarHBondContact O-N 3.19Å; R7-Q9 PolarHBondContact O-N 2.87Å; R7-Q9 VanDerWaalsContact O-N 3.13Å | ||
| 8 | R | 39.9 | Very low | 55.9 | Low | 248 Ų | 248 | 149.2 Ų | 149.2 | 94% | 0.936 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 120 | 152.5 | -72.7 | -176.1 | 175.3 | -176.9 | -2.2 | 105.5 | F6 G10 | F6-R8 PolarHBondContact O-N 2.83Å; F6-R8 VanDerWaalsContact O-N 3.1Å; R8-G10 PolarHBondContact O-N 3.24Å |
| 9 | Q | 47.3 | Very low | 57.7 | Low | 162 Ų | 162 | 142.9 Ų | 142.9 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -64.8 | 129 | 173.2 | -73.2 | 179.7 | -22.5 | 0 | 0 | 106.8 | R7 T11 | R7-Q9 PolarHBondContact O-N 2.87Å; R7-Q9 VanDerWaalsContact O-N 3.13Å; Q9-T11 PolarHBondContact O-N 2.78Å |
| 10 | G | 45.4 | Very low | 59.3 | Low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 134.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | R8 D12 | R8-G10 PolarHBondContact O-N 3.24Å; G10-D12 PolarHBondContact O-N 2.69Å |
| 11 | T | 58.3 | Low | 60.9 | Low | 114 Ų | 114 | 137.4 Ų | 137.4 | 70% | 0.699 | 64% | 0.643 | S | S | * | * | trans | -61.8 | 108 | 171.3 | 43.6 | 0 | 0 | 0 | 0 | 108.3 | Q9 P13 | Q9-T11 PolarHBondContact O-N 2.78Å; T11-P13 VanDerWaalsContact O-CD 3.29Å; T11-P13 WeakPolarHBondContact O-CD 3.42Å | ||
| 12 | D | 77.8 | Confident | 63.8 | Low | 87 Ų | 87 | 126.2 Ų | 126.2 | 47% | 0.465 | 59% | 0.587 | S | S | . | * | trans | -67.1 | 111.5 | 171.3 | 172.9 | -0.5 | 0 | 0 | 0 | 108.2 | G10 Q14 R15 E16 | G10-D12 PolarHBondContact O-N 2.69Å; D12-Q14 PolarHBondContact O-N 3.47Å; D12-Q14 WeakPolarHBondContact OD1-CB 3.14Å; D12-Q14 PolarHBondContact OD1-N 2.82Å; D12-R15 HydrophobicContact CB-CB 3.97Å; D12-R15 PolarHBondContact O-N 3.44Å; D12-R15 PolarHBondContact OD1-N 3.46Å; D12-E16 PolarHBondContact O-N 3.34Å | ||
| 13 | P | 81.4 | Confident | 67.1 | Low | 106 Ų | 106 | 118 Ų | 118 | 69% | 0.688 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65.7 | -26.2 | -175.3 | 28.8 | -35.1 | 0 | 0 | 0 | 112 | T11 K17 | T11-P13 VanDerWaalsContact O-CD 3.29Å; T11-P13 WeakPolarHBondContact O-CD 3.42Å; P13-K17 PolarHBondContact O-N 3.27Å; P13-K17 VanDerWaalsContact O-N 3.09Å |
| 14 | Q | 84.1 | Confident | 70.1 | Confident | 137 Ų | 137 | 110.1 Ų | 110.1 | 64% | 0.64 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.3 | -38.9 | 174.4 | -173.7 | 174.9 | -10.9 | 0 | 0 | 110.6 | D12 K17 I18 | D12-Q14 PolarHBondContact O-N 3.47Å; D12-Q14 WeakPolarHBondContact OD1-CB 3.14Å; D12-Q14 PolarHBondContact OD1-N 2.82Å; Q14-K17 PolarHBondContact O-N 3.17Å; Q14-I18 HydrophobicContact CG-CD1 4.27Å; Q14-I18 WeakPolarHBondContact O-CG1 3.31Å; Q14-I18 PolarHBondContact O-N 3.15Å |
| 15 | R | 86.9 | Confident | 73 | Confident | 55 Ų | 55 | 103.2 Ų | 103.2 | 21% | 0.208 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -69.4 | -40.2 | 176 | -173.5 | 58.1 | -178.2 | -174.9 | 9.3 | 112.6 | D12 K17 I18 K19 E888 Q911 | D12-R15 HydrophobicContact CB-CB 3.97Å; D12-R15 PolarHBondContact O-N 3.44Å; D12-R15 PolarHBondContact OD1-N 3.46Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3.25Å; R15-I18 PolarHBondContact O-N 2.85Å; R15-K19 WeakPolarHBondContact O-CG 3.22Å; R15-K19 PolarHBondContact O-N 3.47Å; R15-E888 IonicContact CZ-OE1 3.97Å; R15-E888 VanDerWaalsContact CZ-OE1 3.29Å; R15-E888 IonicContact CZ-OE2 2.68Å; R15-E888 IonicContact NH1-OE1 3.1Å; R15-E888 PolarHBondContact NH1-OE1 3.26Å; R15-E888 IonicContact NH1-OE2 3.86Å; R15-E888 PolarHBondContact NH1-OE2 3.05Å; R15-E888 IonicContact NH2-OE1 2.75Å; R15-E888 PolarHBondContact NH2-OE1 3.3Å; R15-E888 IonicContact NH2-OE2 2.73Å; R15-E888 PolarHBondContact NH2-OE2 2.94Å; R15-Q911 VanDerWaalsContact CZ-OE1 3.32Å |
| 16 | E | 87.1 | Confident | 76 | Confident | 70 Ų | 70 | 95.2 Ų | 95.2 | 33% | 0.327 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 175.8 | -62.1 | -54 | 140.9 | 0 | 0 | 111.8 | D12 K19 Q20 | D12-E16 PolarHBondContact O-N 3.34Å; E16-K19 WeakPolarHBondContact O-CB 3.17Å; E16-K19 PolarHBondContact O-N 3.43Å; E16-K19 VanDerWaalsContact OE1-CE 3.26Å; E16-K19 WeakPolarHBondContact OE1-CE 3.36Å; E16-K19 IonicContact OE1-NZ 2.66Å; E16-K19 PolarHBondContact OE1-NZ 3.46Å; E16-K19 WeakPolarHBondContact OE2-CD 3.46Å; E16-K19 VanDerWaalsContact OE2-CE 3.24Å; E16-K19 WeakPolarHBondContact OE2-CE 3.19Å; E16-K19 IonicContact OE2-NZ 3.18Å; E16-K19 PolarHBondContact OE2-NZ 3.33Å; E16-Q20 PolarHBondContact O-N 3.05Å |
| 17 | K | 88.8 | Confident | 78.8 | Confident | 120 Ų | 120 | 87.4 Ų | 87.4 | 52% | 0.522 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 169.9 | -170.3 | -178.6 | -175.2 | -100.2 | 0 | 111.8 | P13 Q14 R15 K19 Q20 E21 | P13-K17 PolarHBondContact O-N 3.27Å; P13-K17 VanDerWaalsContact O-N 3.09Å; Q14-K17 PolarHBondContact O-N 3.17Å; R15-K17 VanDerWaalsContact C-N 3.33Å; R15-K17 PolarHBondContact O-N 3.25Å; K17-K19 VanDerWaalsContact C-N 3.26Å; K17-K19 PolarHBondContact O-N 3.17Å; K17-Q20 WeakPolarHBondContact O-CB 3.35Å; K17-Q20 PolarHBondContact O-N 3.46Å; K17-E21 WeakPolarHBondContact CE-OE1 3.46Å; K17-E21 IonicContact NZ-OE1 2.9Å; K17-E21 PolarHBondContact NZ-OE1 2.9Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 2.74Å |
| 18 | I | 89.6 | Confident | 81.5 | Confident | 30 Ų | 30 | 76.7 Ų | 76.7 | 15% | 0.154 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.7 | -35.6 | 177.9 | -68.7 | 164.3 | 0 | 0 | 0 | 111.5 | Q14 R15 E21 L22 Y886 | Q14-I18 HydrophobicContact CG-CD1 4.27Å; Q14-I18 WeakPolarHBondContact O-CG1 3.31Å; Q14-I18 PolarHBondContact O-N 3.15Å; R15-I18 PolarHBondContact O-N 2.85Å; I18-E21 PolarHBondContact O-N 3.12Å; I18-L22 HydrophobicContact CG2-CD1 3.78Å; I18-L22 HydrophobicContact CG2-CG 4.33Å; I18-L22 WeakPolarHBondContact O-CG 3.23Å; I18-L22 PolarHBondContact O-N 3.33Å; I18-L22 VanDerWaalsContact O-N 3.08Å; I18-Y886 HydrophobicContact CG2-CE1 3.92Å |
| 19 | K | 90.8 | Very high | 84 | Confident | 30 Ų | 30 | 65.3 Ų | 65.3 | 13% | 0.13 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.4 | -44.3 | 172.6 | -68.3 | -173.3 | -157.7 | 165.9 | 0 | 112.4 | R15 E16 K17 E21 L22 F23 Q911 V912 | R15-K19 WeakPolarHBondContact O-CG 3.22Å; R15-K19 PolarHBondContact O-N 3.47Å; E16-K19 WeakPolarHBondContact O-CB 3.17Å; E16-K19 PolarHBondContact O-N 3.43Å; E16-K19 VanDerWaalsContact OE1-CE 3.26Å; E16-K19 WeakPolarHBondContact OE1-CE 3.36Å; E16-K19 IonicContact OE1-NZ 2.66Å; E16-K19 PolarHBondContact OE1-NZ 3.46Å; E16-K19 WeakPolarHBondContact OE2-CD 3.46Å; E16-K19 VanDerWaalsContact OE2-CE 3.24Å; E16-K19 WeakPolarHBondContact OE2-CE 3.19Å; E16-K19 IonicContact OE2-NZ 3.18Å; E16-K19 PolarHBondContact OE2-NZ 3.33Å; K17-K19 VanDerWaalsContact C-N 3.26Å; K17-K19 PolarHBondContact O-N 3.17Å; K19-E21 VanDerWaalsContact C-N 3.27Å; K19-E21 PolarHBondContact O-N 3.46Å; K19-L22 PolarHBondContact O-N 3.08Å; K19-F23 HydrophobicContact CB-CD2 4.01Å; K19-F23 HydrophobicContact CB-CE2 4.43Å; K19-F23 HydrophobicContact CG-CD2 4.31Å; K19-F23 HydrophobicContact CG-CE2 4.3Å; K19-F23 WeakPolarHBondContact O-CB 3.46Å; K19-F23 WeakPolarHBondContact O-CD2 3.42Å; K19-F23 PolarHBondContact O-N 3.23Å; K19-Q911 HydrophobicContact CD-CB 4.48Å; K19-Q911 WeakPolarHBondContact CD-O 3.5Å; K19-Q911 WeakPolarHBondContact CE-O 3.26Å; K19-Q911 PolarHBondContact NZ-O 2.68Å; K19-V912 HydrophobicContact CD-CG1 4.09Å |
| 20 | Q | 90.4 | Very high | 86.2 | Confident | 153 Ų | 153 | 59 Ų | 59 | 72% | 0.715 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -66.3 | -30.7 | 178.1 | -67.4 | 175.1 | -12.9 | 0 | 0 | 112.1 | E16 K17 | E16-Q20 PolarHBondContact O-N 3.05Å; K17-Q20 WeakPolarHBondContact O-CB 3.35Å; K17-Q20 PolarHBondContact O-N 3.46Å |
| 21 | E | 92.8 | Very high | 88.6 | Confident | 17 Ų | 17 | 55.8 Ų | 55.8 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -73.3 | -24.8 | 173.9 | -69.3 | 179.8 | -158.2 | 0 | 0 | 113.9 | K17 I18 K19 S880 A881 A882 | K17-E21 WeakPolarHBondContact CE-OE1 3.46Å; K17-E21 IonicContact NZ-OE1 2.9Å; K17-E21 PolarHBondContact NZ-OE1 2.9Å; K17-E21 WeakPolarHBondContact O-CG 3.48Å; K17-E21 PolarHBondContact O-N 2.74Å; I18-E21 PolarHBondContact O-N 3.12Å; K19-E21 VanDerWaalsContact C-N 3.27Å; K19-E21 PolarHBondContact O-N 3.46Å; E21-S880 WeakPolarHBondContact CB-OG 3.22Å; E21-S880 CarbonylContact O-C 3.58Å; E21-S880 WeakPolarHBondContact O-CA 3.41Å; E21-S880 PolarHBondContact OE2-OG 2.97Å; E21-A881 PolarHBondContact O-N 3.34Å; E21-A882 HydrophobicContact CG-CB 3.9Å |
| 22 | L | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -99.2 | -41.8 | -178.5 | -69.4 | 172 | 0 | 0 | 0 | 113.5 | I18 K19 F878 Y886 E888 A952 | I18-L22 HydrophobicContact CG2-CD1 3.78Å; I18-L22 HydrophobicContact CG2-CG 4.33Å; I18-L22 WeakPolarHBondContact O-CG 3.23Å; I18-L22 PolarHBondContact O-N 3.33Å; I18-L22 VanDerWaalsContact O-N 3.08Å; K19-L22 PolarHBondContact O-N 3.08Å; L22-F878 HydrophobicContact CB-CB 4.35Å; L22-F878 HydrophobicContact CD2-CB 4.04Å; L22-Y886 HydrophobicContact CD1-CE1 4.47Å; L22-Y886 HydrophobicContact CD2-CD1 4.42Å; L22-E888 HydrophobicContact CD1-CB 4.14Å; L22-E888 HydrophobicContact CD1-CG 4.12Å; L22-E888 WeakPolarHBondContact CD1-OE1 2.78Å; L22-A952 PolarHBondContact O-N 3.39Å |
| 23 | F | 95.4 | Very high | 91.1 | Very high | 8 Ų | 8 | 46.7 Ų | 46.7 | 4% | 0.035 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 123 | -163.9 | -45.7 | -60.7 | 0 | 0 | 0 | 112.3 | K19 F878 T890 L902 Q911 V912 Y914 L950 | K19-F23 HydrophobicContact CB-CD2 4.01Å; K19-F23 HydrophobicContact CB-CE2 4.43Å; K19-F23 HydrophobicContact CG-CD2 4.31Å; K19-F23 HydrophobicContact CG-CE2 4.3Å; K19-F23 WeakPolarHBondContact O-CB 3.46Å; K19-F23 WeakPolarHBondContact O-CD2 3.42Å; K19-F23 PolarHBondContact O-N 3.23Å; F23-F878 AromaticContact CD1-CD1 3.71Å; F23-F878 HydrophobicContact CD1-CD1 3.71Å; F23-F878 HydrophobicContact CD1-CD2 4.32Å; F23-F878 AromaticContact CD1-CE1 3.89Å; F23-F878 HydrophobicContact CD1-CE1 3.89Å; F23-F878 HydrophobicContact CD1-CE2 4.44Å; F23-F878 AromaticContact CD1-CG 3.93Å; F23-F878 HydrophobicContact CD1-CG 3.93Å; F23-F878 HydrophobicContact CD1-CZ 4.24Å; F23-F878 HydrophobicContact CE1-CB 4.08Å; F23-F878 AromaticContact CE1-CD1 3.89Å; F23-F878 HydrophobicContact CE1-CD1 3.89Å; F23-F878 AromaticContact CE1-CD2 3.7Å; F23-F878 HydrophobicContact CE1-CD2 3.7Å; F23-F878 HydrophobicContact CE1-CE1 4.23Å; F23-F878 HydrophobicContact CE1-CE2 4.02Å; F23-F878 AromaticContact CE1-CG 3.6Å; F23-F878 HydrophobicContact CE1-CG 3.6Å; F23-F878 HydrophobicContact CE1-CZ 4.28Å; F23-T890 HydrophobicContact CE1-CG2 4.12Å; F23-T890 HydrophobicContact CZ-CG2 4.17Å; F23-L902 HydrophobicContact CD1-CD2 3.46Å; F23-L902 VanDerWaalsContact CD1-CD2 3.46Å; F23-L902 HydrophobicContact CE1-CD2 3.7Å; F23-L902 HydrophobicContact CG-CD2 4.09Å; F23-L902 HydrophobicContact CZ-CD2 4.48Å; F23-Q911 HydrophobicContact CE2-CB 4.11Å; F23-Q911 HydrophobicContact CE2-CG 4.44Å; F23-V912 HydrophobicContact CB-CG2 4.16Å; F23-V912 HydrophobicContact CD2-CG1 4.4Å; F23-V912 HydrophobicContact CD2-CG2 4.22Å; F23-V912 HydrophobicContact CG-CG2 4.18Å; F23-Y914 WeakPolarHBondContact CB-OH 3.49Å; F23-Y914 PolarHBondContact O-OH 2.79Å; F23-L950 WeakPolarHBondContact CA-O 3.34Å |
| 24 | A | 93.5 | Very high | 91.7 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 26% | 0.256 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 134.8 | 170 | 0 | 0 | 0 | 0 | 0 | 108.5 | L950 S951 A952 | A24-L950 PolarHBondContact N-O 2.96Å; A24-L950 VanDerWaalsContact N-O 3.15Å; A24-L950 CarbonylContact O-C 3.55Å; A24-L950 WeakPolarHBondContact O-CA 3.42Å; A24-S951 PolarHBondContact O-N 2.73Å; A24-A952 HydrophobicContact CB-CB 4.02Å |
| 25 | F | 94.5 | Very high | 92.2 | Very high | 51 Ų | 51 | 38.3 Ų | 38.3 | 22% | 0.224 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 122.3 | 178.1 | 177.1 | -113.9 | 0 | 0 | 0 | 111.3 | K27 Y914 C916 F948 S949 L950 | F25-K27 HydrophobicContact CZ-CG 4.26Å; F25-Y914 HydrophobicContact CB-CD1 3.4Å; F25-Y914 VanDerWaalsContact CB-CD1 3.4Å; F25-Y914 HydrophobicContact CB-CD2 3.86Å; F25-Y914 HydrophobicContact CB-CE1 3.71Å; F25-Y914 HydrophobicContact CB-CE2 4.12Å; F25-Y914 HydrophobicContact CB-CG 3.47Å; F25-Y914 VanDerWaalsContact CB-CG 3.47Å; F25-Y914 HydrophobicContact CD1-CG 4.5Å; F25-Y914 HydrophobicContact CG-CD1 4.19Å; F25-Y914 HydrophobicContact CG-CD2 4.49Å; F25-Y914 AromaticContact CG-CG 3.95Å; F25-Y914 HydrophobicContact CG-CG 3.95Å; F25-C916 HydrophobicContact CE1-CB 4.43Å; F25-C916 HydrophobicContact CE2-CB 3.91Å; F25-C916 HydrophobicContact CZ-CB 3.6Å; F25-C916 VanDerWaalsContact CZ-SG 3.54Å; F25-F948 HydrophobicContact CE2-CB 3.95Å; F25-F948 HydrophobicContact CE2-CD2 4.34Å; F25-F948 HydrophobicContact CE2-CG 4.33Å; F25-S949 WeakPolarHBondContact CA-O 3.16Å; F25-S949 WeakPolarHBondContact CD2-O 3.45Å; F25-L950 HydrophobicContact CD2-CD2 3.89Å |
| 26 | N | 93.2 | Very high | 92.5 | Very high | 70 Ų | 70 | 39.6 Ų | 39.6 | 37% | 0.374 | 19% | 0.193 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 127.6 | 177.1 | -66.1 | 97.6 | 0 | 0 | 0 | 109.4 | T28 F948 S949 L955 | N26-T28 HydrophobicContact CB-CG2 4.04Å; N26-T28 VanDerWaalsContact O-CG2 3.27Å; N26-T28 WeakPolarHBondContact O-CG2 3.44Å; N26-F948 CarbonylContact O-C 3.57Å; N26-F948 VanDerWaalsContact O-CA 3.23Å; N26-F948 WeakPolarHBondContact O-CA 3.44Å; N26-S949 PolarHBondContact N-O 3.43Å; N26-S949 PolarHBondContact O-N 3.14Å; N26-L955 HydrophobicContact CB-CD1 3.84Å |
| 27 | K | 92 | Very high | 93 | Very high | 41 Ų | 41 | 36.3 Ų | 36.3 | 18% | 0.178 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 139.1 | 152.7 | -67.6 | 158.2 | 144.1 | -92.4 | 0 | 107.2 | F25 E946 A983 N984 | F25-K27 HydrophobicContact CZ-CG 4.26Å; K27-E946 VanDerWaalsContact CE-OE2 3.28Å; K27-E946 WeakPolarHBondContact CE-OE2 3.46Å; K27-E946 WeakPolarHBondContact CG-OE2 3.42Å; K27-E946 IonicContact NZ-OE1 3.68Å; K27-E946 PolarHBondContact NZ-OE1 2.88Å; K27-E946 IonicContact NZ-OE2 3.15Å; K27-E946 PolarHBondContact NZ-OE2 2.77Å; K27-A983 HydrophobicContact CB-CB 3.95Å; K27-A983 WeakPolarHBondContact O-CB 3.24Å; K27-N984 PolarHBondContact NZ-O 3.24Å |
| 28 | T | 89.8 | Confident | 93.4 | Very high | 10 Ų | 10 | 32 Ų | 32 | 6% | 0.061 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | -39 | -164.8 | 81.9 | 0 | 0 | 0 | 0 | 116.2 | N26 R947 L955 T956 | N26-T28 HydrophobicContact CB-CG2 4.04Å; N26-T28 VanDerWaalsContact O-CG2 3.27Å; N26-T28 WeakPolarHBondContact O-CG2 3.44Å; T28-R947 PolarHBondContact N-O 2.89Å; T28-L955 HydrophobicContact CG2-CD1 3.61Å; T28-T956 WeakPolarHBondContact CB-O 3.44Å; T28-T956 PolarHBondContact OG1-O 2.85Å |
| 29 | V | 91.9 | Very high | 93.8 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 5% | 0.048 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.8 | 147.1 | 179.6 | 44.2 | 0 | 0 | 0 | 0 | 109.8 | H31 E67 V472 R947 T956 | V29-H31 WeakPolarHBondContact CG1-NE2 3.44Å; V29-E67 VanDerWaalsContact CG2-OE1 3.24Å; V29-E67 WeakPolarHBondContact CG2-OE1 3.21Å; V29-V472 HydrophobicContact CG2-CG1 4.14Å; V29-R947 HydrophobicContact CG1-CB 3.99Å; V29-R947 PolarHBondContact O-N 3.38Å; V29-T956 WeakPolarHBondContact CG1-O 3.46Å |
| 30 | E | 94.3 | Very high | 94.1 | Very high | 29 Ų | 29 | 29.9 Ų | 29.9 | 14% | 0.136 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 139.1 | 170.3 | -71.1 | 171.6 | 173.4 | 0 | 0 | 111.1 | K59 I940 Y945 E946 N984 | E30-K59 WeakPolarHBondContact OE2-CE 3.06Å; E30-K59 IonicContact OE2-NZ 2.85Å; E30-K59 PolarHBondContact OE2-NZ 2.71Å; E30-I940 VanDerWaalsContact CD-CD1 3.43Å; E30-I940 HydrophobicContact CG-CD1 3.75Å; E30-I940 WeakPolarHBondContact OE1-CD1 3.49Å; E30-Y945 CarbonylContact C-O 3.57Å; E30-Y945 WeakPolarHBondContact CA-O 3.36Å; E30-E946 HydrophobicContact CG-CB 4.36Å; E30-E946 HydrophobicContact CG-CG 4.34Å; E30-N984 WeakPolarHBondContact OE1-CB 3.32Å; E30-N984 PolarHBondContact OE1-ND2 3.41Å; E30-N984 PolarHBondContact OE2-ND2 3.42Å |
| 31 | H | 94.8 | Very high | 94.4 | Very high | 4 Ų | 4 | 23.2 Ų | 23.2 | 2% | 0.019 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 114.4 | -175.3 | -61.9 | -80.8 | 0 | 0 | 0 | 109.7 | V29 L398 V472 L474 E944 Y945 R947 | V29-H31 WeakPolarHBondContact CG1-NE2 3.44Å; H31-L398 WeakPolarHBondContact O-CD1 3.48Å; H31-V472 PolarHBondContact CE1-O 3.43Å; H31-V472 PolarHBondContact ND1-O 3.11Å; H31-L474 HydrophobicContact CB-CB 3.74Å; H31-L474 HydrophobicContact CB-CD2 3.75Å; H31-L474 HydrophobicContact CB-CG 4.28Å; H31-E944 WeakPolarHBondContact O-CA 3.49Å; H31-Y945 PolarHBondContact N-O 3.29Å; H31-Y945 PolarHBondContact O-N 2.84Å; H31-R947 PolarHBondContact NE2-NE 2.82Å |
| 32 | G | 93.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 24.2 Ų | 24.2 | 10% | 0.103 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 142 | -154 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L395 S943 | G32-L395 WeakPolarHBondContact O-CA 3.35Å; G32-S943 WeakPolarHBondContact CA-O 3.39Å |
| 33 | F | 95.8 | Very high | 94.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | trans | -110.7 | 125.1 | -178.8 | -179.9 | -97.5 | 0 | 0 | 0 | 111.9 | H35 P37 L372 L373 E376 L377 L395 S943 E944 | F33-H35 PolarHBondContact O-N 3.13Å; F33-P37 HydrophobicContact CE1-CG 3.93Å; F33-P37 HydrophobicContact CZ-CG 3.9Å; F33-L372 HydrophobicContact CE2-CD1 3.77Å; F33-L372 HydrophobicContact CZ-CD1 3.69Å; F33-L373 WeakPolarHBondContact CZ-O 3.2Å; F33-E376 VanDerWaalsContact CZ-C 3.47Å; F33-L377 HydrophobicContact CD2-CB 4.37Å; F33-L377 HydrophobicContact CE2-CB 3.98Å; F33-L395 HydrophobicContact CD2-CB 4.48Å; F33-L395 HydrophobicContact CD2-CD2 4.48Å; F33-S943 PolarHBondContact N-O 2.82Å; F33-S943 VanDerWaalsContact N-O 3.08Å; F33-S943 WeakPolarHBondContact O-CB 3.44Å; F33-S943 PolarHBondContact O-OG 3.25Å; F33-E944 WeakPolarHBondContact O-CG 3.35Å | ||
| 34 | P | 94.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -44.7 | 123.4 | -177.5 | -33.9 | 37.3 | 0 | 0 | 0 | 114.1 | Q36 P37 I51 T53 K59 L395 E944 | P34-Q36 PolarHBondContact O-N 2.82Å; P34-P37 WeakPolarHBondContact O-CD 3.47Å; P34-I51 HydrophobicContact CB-CG2 4.24Å; P34-I51 HydrophobicContact CG-CG2 4.26Å; P34-T53 HydrophobicContact CB-CG2 3.98Å; P34-K59 HydrophobicContact CG-CD 4.09Å; P34-L395 HydrophobicContact CG-CD2 3.89Å; P34-E944 VanDerWaalsContact CA-CD 3.42Å; P34-E944 WeakPolarHBondContact CA-OE1 3.35Å; P34-E944 WeakPolarHBondContact CA-OE2 3.14Å | ||
| 35 | H | 92.9 | Very high | 94.1 | Very high | 67 Ų | 67 | 30.2 Ų | 30.2 | 31% | 0.31 | 15% | 0.154 | S | C | . | . | S | Bend | trans | -69.4 | 126.9 | 178 | -168.4 | 55.6 | 0 | 0 | 0 | 111.8 | F33 E944 | F33-H35 PolarHBondContact O-N 3.13Å; H35-E944 PolarHBondContact N-OE2 3.06Å |
| 36 | Q | 94.5 | Very high | 94 | Very high | 83 Ų | 83 | 28.5 Ų | 28.5 | 39% | 0.388 | 15% | 0.147 | S | C | . | . | S | Bend | trans | 53.4 | 68.3 | -178.6 | -61.2 | 179.8 | 32.9 | 0 | 0 | 112.8 | P34 T53 K54 | P34-Q36 PolarHBondContact O-N 2.82Å; Q36-T53 WeakPolarHBondContact O-CA 3.22Å; Q36-K54 HydrophobicContact CB-CB 4.17Å; Q36-K54 HydrophobicContact CB-CD 4Å; Q36-K54 HydrophobicContact CB-CG 4.14Å; Q36-K54 PolarHBondContact O-N 3.2Å |
| 37 | P | 97.2 | Very high | 94 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 152.4 | 168.5 | 29.2 | -31.5 | 0 | 0 | 0 | 110.5 | F33 P34 I51 G52 I349 L372 L373 E374 | F33-P37 HydrophobicContact CE1-CG 3.93Å; F33-P37 HydrophobicContact CZ-CG 3.9Å; P34-P37 WeakPolarHBondContact O-CD 3.47Å; P37-I51 HydrophobicContact CB-CG2 3.99Å; P37-G52 CarbonylContact C-O 3.56Å; P37-G52 WeakPolarHBondContact CA-O 3.32Å; P37-I349 HydrophobicContact CG-CG1 4.27Å; P37-L372 HydrophobicContact CB-CD1 4.23Å; P37-L372 HydrophobicContact CB-CD2 3.87Å; P37-L372 HydrophobicContact CB-CG 4.19Å; P37-L372 HydrophobicContact CG-CD1 4.37Å; P37-L372 HydrophobicContact CG-CG 4.42Å; P37-L373 VanDerWaalsContact CG-O 3.32Å; P37-L373 WeakPolarHBondContact CG-O 3.15Å; P37-E374 VanDerWaalsContact CD-O 3.29Å; P37-E374 WeakPolarHBondContact CD-O 3.49Å |
| 38 | S | 97.1 | Very high | 94.1 | Very high | 29 Ų | 29 | 27.1 Ų | 27.1 | 20% | 0.203 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | -19.5 | -177.9 | 52.7 | 0 | 0 | 0 | 0 | 114.3 | G52 T53 K54 V78 | S38-G52 PolarHBondContact N-O 2.87Å; S38-G52 PolarHBondContact OG-O 2.72Å; S38-T53 PolarHBondContact OG-O 3.38Å; S38-K54 PolarHBondContact OG-N 3.26Å; S38-V78 CarbonylContact C-O 3.57Å; S38-V78 WeakPolarHBondContact CB-O 3.46Å; S38-V78 PolarHBondContact OG-O 2.93Å |
| 39 | A | 96.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 4% | 0.041 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 154.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I51 G52 V78 I81 | A39-I51 WeakPolarHBondContact O-CA 3.44Å; A39-G52 PolarHBondContact N-O 2.91Å; A39-G52 PolarHBondContact O-N 3.18Å; A39-V78 HydrophobicContact CB-CG1 4.09Å; A39-I81 HydrophobicContact CB-CD1 4.22Å; A39-I81 HydrophobicContact CB-CG1 4.01Å |
| 40 | L | 97.6 | Very high | 94.7 | Very high | 12 Ų | 12 | 26.2 Ų | 26.2 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.1 | 177.6 | -175.7 | 64.6 | 0 | 0 | 0 | 109.6 | M49 A50 I51 D350 F352 L372 | L40-M49 HydrophobicContact CD1-CG 3.82Å; L40-M49 HydrophobicContact CD1-SD 3.83Å; L40-A50 CarbonylContact C-O 3.58Å; L40-A50 WeakPolarHBondContact CA-O 3.45Å; L40-I51 HydrophobicContact CD1-CG1 4.13Å; L40-D350 HydrophobicContact CB-CB 3.99Å; L40-D350 HydrophobicContact CD2-CB 4.3Å; L40-F352 HydrophobicContact CD1-CE1 4.08Å; L40-F352 HydrophobicContact CD2-CD1 3.57Å; L40-F352 HydrophobicContact CD2-CE1 3.82Å; L40-F352 HydrophobicContact CG-CD1 3.97Å; L40-F352 HydrophobicContact CG-CE1 3.98Å; L40-L372 HydrophobicContact CB-CB 4.48Å; L40-L372 HydrophobicContact CB-CD2 3.9Å; L40-L372 HydrophobicContact CD1-CB 4.2Å; L40-L372 HydrophobicContact CD1-CD2 4.06Å; L40-L372 HydrophobicContact CD2-CB 3.83Å; L40-L372 HydrophobicContact CG-CB 4.4Å; L40-L372 HydrophobicContact CG-CD2 4.43Å |
| 41 | A | 96.2 | Very high | 94.9 | Very high | 12 Ų | 12 | 24.9 Ų | 24.9 | 10% | 0.099 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 162.3 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112 | M49 A50 I81 F83 | A41-M49 CarbonylContact O-C 3.41Å; A41-M49 VanDerWaalsContact O-CA 3.32Å; A41-M49 WeakPolarHBondContact O-CA 3.13Å; A41-A50 HydrophobicContact CB-CB 4.44Å; A41-A50 PolarHBondContact N-O 2.89Å; A41-A50 PolarHBondContact O-N 3.29Å; A41-I81 HydrophobicContact CB-CB 3.76Å; A41-I81 HydrophobicContact CB-CG2 3.6Å; A41-I81 WeakPolarHBondContact CB-O 3.22Å; A41-F83 HydrophobicContact CB-CD2 3.85Å; A41-F83 HydrophobicContact CB-CE2 4.02Å |
| 42 | F | 95.5 | Very high | 95 | Very high | 38 Ų | 38 | 24.7 Ų | 24.7 | 17% | 0.167 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 130.6 | 177.1 | -178.4 | -115 | 0 | 0 | 0 | 111 | P44 L48 M49 F352 I354 I439 | F42-P44 HydrophobicContact CD1-CB 4.22Å; F42-P44 HydrophobicContact CE1-CB 3.89Å; F42-P44 WeakPolarHBondContact O-CD 3.05Å; F42-L48 CarbonylContact C-O 3.41Å; F42-L48 WeakPolarHBondContact CA-O 3.4Å; F42-L48 VanDerWaalsContact CD2-O 3.28Å; F42-L48 WeakPolarHBondContact CD2-O 3.39Å; F42-M49 HydrophobicContact CD2-CB 4.3Å; F42-F352 HydrophobicContact CB-CD1 4.16Å; F42-F352 HydrophobicContact CB-CD2 3.86Å; F42-F352 HydrophobicContact CB-CE1 3.88Å; F42-F352 HydrophobicContact CB-CE2 3.55Å; F42-F352 HydrophobicContact CB-CG 4.16Å; F42-F352 HydrophobicContact CB-CZ 3.57Å; F42-F352 AromaticContact CD1-CD2 3.92Å; F42-F352 HydrophobicContact CD1-CD2 3.92Å; F42-F352 AromaticContact CD1-CE2 3.6Å; F42-F352 HydrophobicContact CD1-CE2 3.6Å; F42-F352 HydrophobicContact CD1-CZ 4.37Å; F42-F352 AromaticContact CD2-CE2 3.68Å; F42-F352 HydrophobicContact CD2-CE2 3.68Å; F42-F352 AromaticContact CD2-CZ 3.71Å; F42-F352 HydrophobicContact CD2-CZ 3.71Å; F42-F352 HydrophobicContact CE1-CE2 4.15Å; F42-F352 HydrophobicContact CE2-CE2 4.24Å; F42-F352 HydrophobicContact CE2-CZ 4.48Å; F42-F352 AromaticContact CG-CD2 3.93Å; F42-F352 HydrophobicContact CG-CD2 3.93Å; F42-F352 HydrophobicContact CG-CE1 4.45Å; F42-F352 AromaticContact CG-CE2 3.33Å; F42-F352 HydrophobicContact CG-CE2 3.33Å; F42-F352 AromaticContact CG-CZ 3.65Å; F42-F352 HydrophobicContact CG-CZ 3.65Å; F42-F352 HydrophobicContact CZ-CE2 4.45Å; F42-I354 HydrophobicContact CE1-CG1 4.04Å; F42-I354 HydrophobicContact CE2-CD1 4.49Å; F42-I354 HydrophobicContact CZ-CD1 4.15Å; F42-I354 HydrophobicContact CZ-CG1 4.05Å; F42-I439 HydrophobicContact CE2-CG1 4.28Å; F42-I439 HydrophobicContact CE2-CG2 4.41Å |
| 43 | D | 94.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 110.8 | 166.3 | -174.9 | -27.2 | 0 | 0 | 0 | 108.7 | K45 L46 Q47 L48 F83 P85 G86 | D43-K45 VanDerWaalsContact C-N 3.34Å; D43-K45 PolarHBondContact O-N 2.86Å; D43-K45 WeakPolarHBondContact OD1-CA 3.27Å; D43-K45 WeakPolarHBondContact OD1-CB 3.23Å; D43-K45 PolarHBondContact OD1-N 2.9Å; D43-L46 HydrophobicContact CB-CB 4.15Å; D43-L46 PolarHBondContact OD1-N 3.46Å; D43-L46 WeakPolarHBondContact OD2-CD1 3.24Å; D43-L46 VanDerWaalsContact OD2-CG 3.28Å; D43-L46 WeakPolarHBondContact OD2-CG 3.37Å; D43-Q47 WeakPolarHBondContact O-CA 3.23Å; D43-Q47 PolarHBondContact O-N 2.87Å; D43-L48 PolarHBondContact N-O 2.96Å; D43-L48 PolarHBondContact O-N 2.87Å; D43-F83 HydrophobicContact CB-CB 3.86Å; D43-F83 HydrophobicContact CB-CD1 4.02Å; D43-F83 HydrophobicContact CB-CD2 4.01Å; D43-F83 HydrophobicContact CB-CG 3.73Å; D43-P85 WeakPolarHBondContact OD2-CA 3.41Å; D43-G86 PolarHBondContact OD2-N 2.99Å |
| 44 | P | 89.6 | Confident | 95.2 | Very high | 44 Ų | 44 | 27.9 Ų | 27.9 | 29% | 0.286 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -18.1 | -179 | 31.1 | -35.5 | 0 | 0 | 0 | 114.1 | F42 M357 | F42-P44 HydrophobicContact CD1-CB 4.22Å; F42-P44 HydrophobicContact CE1-CB 3.89Å; F42-P44 WeakPolarHBondContact O-CD 3.05Å; P44-M357 HydrophobicContact CB-CG 3.68Å; P44-M357 HydrophobicContact CG-CE 4.38Å; P44-M357 HydrophobicContact CG-CG 3.86Å |
| 45 | K | 90.1 | Very high | 95.1 | Very high | 122 Ų | 122 | 30.9 Ų | 30.9 | 53% | 0.53 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -49.7 | 172.1 | -73.8 | -172.7 | -174.1 | 167.9 | 0 | 110.7 | D43 Q47 P85 D965 | D43-K45 VanDerWaalsContact C-N 3.34Å; D43-K45 PolarHBondContact O-N 2.86Å; D43-K45 WeakPolarHBondContact OD1-CA 3.27Å; D43-K45 WeakPolarHBondContact OD1-CB 3.23Å; D43-K45 PolarHBondContact OD1-N 2.9Å; K45-Q47 VanDerWaalsContact C-N 3.32Å; K45-P85 HydrophobicContact CD-CB 4.19Å; K45-P85 HydrophobicContact CG-CB 4.34Å; K45-P85 PolarHBondContact NZ-O 2.89Å; K45-D965 IonicContact NZ-OD2 3.78Å; K45-D965 PolarHBondContact NZ-OD2 3.14Å |
| 46 | L | 91.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 27.7 Ų | 27.7 | 7% | 0.073 | 14% | 0.144 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -14.9 | -178.5 | -61.4 | -177.6 | 0 | 0 | 0 | 113 | D43 L48 G441 V962 Q963 L964 | D43-L46 HydrophobicContact CB-CB 4.15Å; D43-L46 PolarHBondContact OD1-N 3.46Å; D43-L46 WeakPolarHBondContact OD2-CD1 3.24Å; D43-L46 VanDerWaalsContact OD2-CG 3.28Å; D43-L46 WeakPolarHBondContact OD2-CG 3.37Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 HydrophobicContact CB-CB 4.45Å; L46-L48 HydrophobicContact CB-CD1 3.98Å; L46-L48 HydrophobicContact CB-CG 3.91Å; L46-L48 HydrophobicContact CD1-CD1 4.21Å; L46-L48 PolarHBondContact O-N 3Å; L46-G441 WeakPolarHBondContact O-CA 3.23Å; L46-V962 HydrophobicContact CD1-CG1 4.39Å; L46-V962 HydrophobicContact CD2-CG1 4.15Å; L46-Q963 VanDerWaalsContact CD2-O 3.23Å; L46-Q963 WeakPolarHBondContact CD2-O 3.26Å; L46-L964 HydrophobicContact CD1-CD2 3.66Å; L46-L964 HydrophobicContact CD2-CD2 3.93Å; L46-L964 HydrophobicContact CG-CD2 4.49Å |
| 47 | Q | 93.9 | Very high | 95.1 | Very high | 82 Ų | 82 | 24.1 Ų | 24.1 | 38% | 0.383 | 13% | 0.129 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 39.8 | -175.2 | -61.4 | 176 | -19.4 | 0 | 0 | 112.5 | D43 K45 I439 C440 G441 | D43-Q47 WeakPolarHBondContact O-CA 3.23Å; D43-Q47 PolarHBondContact O-N 2.87Å; K45-Q47 VanDerWaalsContact C-N 3.32Å; Q47-I439 WeakPolarHBondContact O-CG2 3.07Å; Q47-C440 PolarHBondContact OE1-SG 2.97Å; Q47-G441 WeakPolarHBondContact O-CA 3.25Å; Q47-G441 PolarHBondContact O-N 2.78Å |
| 48 | L | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 137.1 | 178.7 | -63 | 179.1 | 0 | 0 | 0 | 110.4 | F42 D43 L46 I60 Y61 V66 F83 L104 V962 | F42-L48 CarbonylContact C-O 3.41Å; F42-L48 WeakPolarHBondContact CA-O 3.4Å; F42-L48 VanDerWaalsContact CD2-O 3.28Å; F42-L48 WeakPolarHBondContact CD2-O 3.39Å; D43-L48 PolarHBondContact N-O 2.96Å; D43-L48 PolarHBondContact O-N 2.87Å; L46-L48 VanDerWaalsContact C-N 3.25Å; L46-L48 HydrophobicContact CB-CB 4.45Å; L46-L48 HydrophobicContact CB-CD1 3.98Å; L46-L48 HydrophobicContact CB-CG 3.91Å; L46-L48 HydrophobicContact CD1-CD1 4.21Å; L46-L48 PolarHBondContact O-N 3Å; L48-I60 HydrophobicContact CB-CG2 4.09Å; L48-I60 HydrophobicContact CD1-CG2 4.29Å; L48-Y61 WeakPolarHBondContact CA-O 3.43Å; L48-V66 HydrophobicContact CD2-CG1 4.4Å; L48-F83 HydrophobicContact CB-CZ 4.31Å; L48-L104 HydrophobicContact CD1-CD1 4.2Å; L48-V962 HydrophobicContact CD1-CG1 4.18Å; L48-V962 HydrophobicContact CD1-CG2 4.38Å |
| 49 | M | 96.7 | Very high | 95 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 142.7 | 173.3 | 178.6 | -177.5 | 67.9 | 0 | 0 | 109.8 | L40 A41 F42 I51 I60 Y61 F352 V370 L377 L395 I439 | L40-M49 HydrophobicContact CD1-CG 3.82Å; L40-M49 HydrophobicContact CD1-SD 3.83Å; A41-M49 CarbonylContact O-C 3.41Å; A41-M49 VanDerWaalsContact O-CA 3.32Å; A41-M49 WeakPolarHBondContact O-CA 3.13Å; F42-M49 HydrophobicContact CD2-CB 4.3Å; M49-I51 HydrophobicContact CE-CD1 4.04Å; M49-I51 HydrophobicContact CE-CG1 4.42Å; M49-I60 CarbonylContact O-C 3.47Å; M49-I60 VanDerWaalsContact O-CA 3.26Å; M49-I60 WeakPolarHBondContact O-CA 3.42Å; M49-Y61 HydrophobicContact CE-CD2 4.32Å; M49-Y61 PolarHBondContact N-O 3.42Å; M49-Y61 PolarHBondContact O-N 2.57Å; M49-F352 HydrophobicContact CG-CE1 4.26Å; M49-F352 HydrophobicContact CG-CZ 4.37Å; M49-F352 HydrophobicContact SD-CE1 4.24Å; M49-F352 HydrophobicContact SD-CZ 4.34Å; M49-V370 HydrophobicContact SD-CG1 4.09Å; M49-L377 HydrophobicContact CE-CD2 3.97Å; M49-L377 HydrophobicContact SD-CD1 4.33Å; M49-L395 HydrophobicContact CE-CD1 3.43Å; M49-L395 VanDerWaalsContact CE-CD1 3.43Å; M49-I439 HydrophobicContact CB-CD1 4.04Å; M49-I439 HydrophobicContact CB-CG2 4.01Å; M49-I439 HydrophobicContact CE-CD1 4.08Å; M49-I439 HydrophobicContact CG-CD1 4.44Å; M49-I439 HydrophobicContact SD-CD1 3.66Å |
| 50 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 140.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.1 | L40 A41 I58 K59 I60 I81 F83 L90 | L40-A50 CarbonylContact C-O 3.58Å; L40-A50 WeakPolarHBondContact CA-O 3.45Å; A41-A50 HydrophobicContact CB-CB 4.44Å; A41-A50 PolarHBondContact N-O 2.89Å; A41-A50 PolarHBondContact O-N 3.29Å; A50-I58 HydrophobicContact CB-CG2 4.46Å; A50-K59 CarbonylContact C-O 3.54Å; A50-K59 WeakPolarHBondContact CA-O 3.43Å; A50-I60 HydrophobicContact CB-CG1 4.22Å; A50-I81 HydrophobicContact CB-CD1 4.23Å; A50-I81 HydrophobicContact CB-CG2 4.06Å; A50-F83 HydrophobicContact CB-CE2 3.62Å; A50-F83 HydrophobicContact CB-CZ 3.65Å; A50-L90 HydrophobicContact CB-CD2 4.36Å |
| 51 | I | 98.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 127.5 | 172.7 | -64.4 | 172.7 | 0 | 0 | 0 | 108.2 | P34 P37 A39 L40 M49 I58 K59 Y61 L372 L395 | P34-I51 HydrophobicContact CB-CG2 4.24Å; P34-I51 HydrophobicContact CG-CG2 4.26Å; P37-I51 HydrophobicContact CB-CG2 3.99Å; A39-I51 WeakPolarHBondContact O-CA 3.44Å; L40-I51 HydrophobicContact CD1-CG1 4.13Å; M49-I51 HydrophobicContact CE-CD1 4.04Å; M49-I51 HydrophobicContact CE-CG1 4.42Å; I51-I58 WeakPolarHBondContact O-CA 3.22Å; I51-K59 PolarHBondContact N-O 3.09Å; I51-K59 PolarHBondContact O-N 2.84Å; I51-Y61 HydrophobicContact CD1-CE2 4.36Å; I51-L372 HydrophobicContact CD1-CD1 3.93Å; I51-L372 HydrophobicContact CG1-CD1 4.34Å; I51-L372 HydrophobicContact CG1-CD2 4.33Å; I51-L372 HydrophobicContact CG2-CD2 4.18Å; I51-L395 HydrophobicContact CD1-CD1 3.78Å; I51-L395 HydrophobicContact CD1-CD2 4.16Å |
| 52 | G | 97.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 146.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P37 S38 A39 A57 | P37-G52 CarbonylContact C-O 3.56Å; P37-G52 WeakPolarHBondContact CA-O 3.32Å; S38-G52 PolarHBondContact N-O 2.87Å; S38-G52 PolarHBondContact OG-O 2.72Å; A39-G52 PolarHBondContact N-O 2.91Å; A39-G52 PolarHBondContact O-N 3.18Å; G52-A57 WeakPolarHBondContact CA-O 3.12Å |
| 53 | T | 96.9 | Very high | 94.7 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 2% | 0.018 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 162.4 | 177 | 73.6 | 0 | 0 | 0 | 0 | 113 | P34 Q36 S38 S55 G56 A57 V78 | P34-T53 HydrophobicContact CB-CG2 3.98Å; Q36-T53 WeakPolarHBondContact O-CA 3.22Å; S38-T53 PolarHBondContact OG-O 3.38Å; T53-S55 PolarHBondContact O-N 3.39Å; T53-S55 VanDerWaalsContact O-N 3.08Å; T53-S55 PolarHBondContact OG1-N 3.2Å; T53-S55 PolarHBondContact OG1-OG 3.23Å; T53-G56 PolarHBondContact O-N 3.21Å; T53-A57 HydrophobicContact CG2-CB 4.28Å; T53-A57 PolarHBondContact N-O 3.08Å; T53-A57 WeakPolarHBondContact OG1-CB 3.4Å; T53-A57 PolarHBondContact OG1-N 2.94Å; T53-V78 PolarHBondContact O-N 3.41Å; T53-V78 VanDerWaalsContact O-N 3.14Å |
| 54 | K | 95.4 | Very high | 94.6 | Very high | 74 Ų | 74 | 24.5 Ų | 24.5 | 32% | 0.322 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66 | -3.7 | 171 | -59.8 | -176.7 | -158.9 | 165 | 0 | 114 | Q36 S38 A77 E374 | Q36-K54 HydrophobicContact CB-CB 4.17Å; Q36-K54 HydrophobicContact CB-CD 4Å; Q36-K54 HydrophobicContact CB-CG 4.14Å; Q36-K54 PolarHBondContact O-N 3.2Å; S38-K54 PolarHBondContact OG-N 3.26Å; K54-A77 HydrophobicContact CB-CB 4.17Å; K54-A77 HydrophobicContact CG-CB 4.31Å; K54-E374 IonicContact NZ-OE1 3.8Å; K54-E374 PolarHBondContact NZ-OE1 3.27Å |
| 55 | S | 92.6 | Very high | 94.5 | Very high | 64 Ų | 64 | 22.5 Ų | 22.5 | 45% | 0.448 | 12% | 0.119 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 16.4 | 178 | 76.7 | 0 | 0 | 0 | 0 | 113.4 | T53 A57 | T53-S55 PolarHBondContact O-N 3.39Å; T53-S55 VanDerWaalsContact O-N 3.08Å; T53-S55 PolarHBondContact OG1-N 3.2Å; T53-S55 PolarHBondContact OG1-OG 3.23Å; S55-A57 VanDerWaalsContact C-N 3.31Å; S55-A57 PolarHBondContact O-N 3.19Å |
| 56 | G | 93.5 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.095 | C | C | . | . | S | Bend | trans | 74.2 | 14.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115 | T53 H72 T76 | T53-G56 PolarHBondContact O-N 3.21Å; G56-H72 PolarHBondContact O-N 2.9Å; G56-H72 PolarHBondContact O-ND1 3.46Å; G56-T76 WeakPolarHBondContact CA-O 3.33Å; G56-T76 PolarHBondContact N-O 3.14Å |
| 57 | A | 94.9 | Very high | 94.6 | Very high | 8 Ų | 8 | 17.3 Ų | 17.3 | 7% | 0.066 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 142.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G52 T53 S55 G70 L71 | G52-A57 WeakPolarHBondContact CA-O 3.12Å; T53-A57 HydrophobicContact CG2-CB 4.28Å; T53-A57 PolarHBondContact N-O 3.08Å; T53-A57 WeakPolarHBondContact OG1-CB 3.4Å; T53-A57 PolarHBondContact OG1-N 2.94Å; S55-A57 VanDerWaalsContact C-N 3.31Å; S55-A57 PolarHBondContact O-N 3.19Å; A57-G70 WeakPolarHBondContact CA-O 3.25Å; A57-L71 HydrophobicContact CB-CD1 3.94Å |
| 58 | I | 96.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 124 | 165.9 | -56.9 | -178.7 | 0 | 0 | 0 | 107.5 | A50 I51 I60 T69 G70 V78 I81 L90 W102 L123 | A50-I58 HydrophobicContact CB-CG2 4.46Å; I51-I58 WeakPolarHBondContact O-CA 3.22Å; I58-I60 HydrophobicContact CG2-CG1 4.29Å; I58-T69 CarbonylContact O-C 3.59Å; I58-T69 WeakPolarHBondContact O-CA 3.4Å; I58-G70 PolarHBondContact N-O 3.1Å; I58-G70 PolarHBondContact O-N 2.83Å; I58-V78 HydrophobicContact CG1-CG2 4.49Å; I58-I81 HydrophobicContact CG2-CD1 4.25Å; I58-L90 HydrophobicContact CD1-CD1 3.73Å; I58-L90 HydrophobicContact CG2-CD2 4.28Å; I58-W102 HydrophobicContact CD1-CD2 4.26Å; I58-W102 HydrophobicContact CD1-CG 4.26Å; I58-W102 HydrophobicContact CD1-CZ2 4.29Å; I58-L123 HydrophobicContact CB-CD2 4.46Å; I58-L123 HydrophobicContact CG2-CD2 4.27Å |
| 59 | K | 95.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 16.5 Ų | 16.5 | 3% | 0.03 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 122.9 | 173 | -51 | -166.1 | -158.4 | -172.5 | 0 | 109.7 | E30 P34 A50 I51 Y61 F68 T69 E944 | E30-K59 WeakPolarHBondContact OE2-CE 3.06Å; E30-K59 IonicContact OE2-NZ 2.85Å; E30-K59 PolarHBondContact OE2-NZ 2.71Å; P34-K59 HydrophobicContact CG-CD 4.09Å; A50-K59 CarbonylContact C-O 3.54Å; A50-K59 WeakPolarHBondContact CA-O 3.43Å; I51-K59 PolarHBondContact N-O 3.09Å; I51-K59 PolarHBondContact O-N 2.84Å; K59-Y61 HydrophobicContact CB-CE2 3.54Å; K59-Y61 WeakPolarHBondContact CD-OH 3.37Å; K59-F68 CarbonylContact C-O 3.59Å; K59-F68 WeakPolarHBondContact CA-O 3.47Å; K59-T69 HydrophobicContact CG-CG2 4.17Å; K59-E944 IonicContact NZ-OE1 3.34Å; K59-E944 PolarHBondContact NZ-OE1 3.5Å; K59-E944 IonicContact NZ-OE2 3.86Å |
| 60 | I | 96.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 16.8 Ų | 16.8 | 1% | 0.005 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 139.4 | 179 | -53.9 | 174.4 | 0 | 0 | 0 | 108.9 | L48 M49 A50 I58 E67 F68 F83 L90 L104 L123 | L48-I60 HydrophobicContact CB-CG2 4.09Å; L48-I60 HydrophobicContact CD1-CG2 4.29Å; M49-I60 CarbonylContact O-C 3.47Å; M49-I60 VanDerWaalsContact O-CA 3.26Å; M49-I60 WeakPolarHBondContact O-CA 3.42Å; A50-I60 HydrophobicContact CB-CG1 4.22Å; I58-I60 HydrophobicContact CG2-CG1 4.29Å; I60-E67 CarbonylContact O-C 3.56Å; I60-E67 WeakPolarHBondContact O-CA 3.49Å; I60-F68 HydrophobicContact CB-CB 4.22Å; I60-F68 HydrophobicContact CB-CD2 4.03Å; I60-F68 HydrophobicContact CD1-CB 4.45Å; I60-F68 HydrophobicContact CD1-CD2 4.47Å; I60-F68 HydrophobicContact CG2-CD2 4.04Å; I60-F68 PolarHBondContact N-O 2.88Å; I60-F68 PolarHBondContact O-N 3.48Å; I60-F83 HydrophobicContact CG2-CZ 4.28Å; I60-L90 HydrophobicContact CD1-CD2 3.58Å; I60-L90 HydrophobicContact CG1-CD2 4.04Å; I60-L104 HydrophobicContact CD1-CD2 4.28Å; I60-L123 HydrophobicContact CD1-CD1 3.73Å; I60-L123 HydrophobicContact CD1-CD2 3.75Å; I60-L123 HydrophobicContact CD1-CG 4.27Å; I60-L123 HydrophobicContact CG1-CD2 4.27Å |
| 61 | Y | 95.8 | Very high | 93.9 | Very high | 17 Ų | 17 | 20.9 Ų | 20.9 | 7% | 0.067 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 138.4 | -178.9 | -60.1 | -83.3 | 0 | 0 | 0 | 111.8 | L48 M49 I51 K59 E67 Y394 L395 | L48-Y61 WeakPolarHBondContact CA-O 3.43Å; M49-Y61 HydrophobicContact CE-CD2 4.32Å; M49-Y61 PolarHBondContact N-O 3.42Å; M49-Y61 PolarHBondContact O-N 2.57Å; I51-Y61 HydrophobicContact CD1-CE2 4.36Å; K59-Y61 HydrophobicContact CB-CE2 3.54Å; K59-Y61 WeakPolarHBondContact CD-OH 3.37Å; Y61-E67 HydrophobicContact CD1-CB 4.08Å; Y61-E67 HydrophobicContact CE1-CB 4.25Å; Y61-Y394 HydrophobicContact CD1-CD2 4.35Å; Y61-Y394 HydrophobicContact CD1-CE2 4.43Å; Y61-Y394 HydrophobicContact CG-CE2 4.36Å; Y61-L395 HydrophobicContact CD1-CD1 4.45Å; Y61-L395 HydrophobicContact CD1-CG 4.46Å; Y61-L395 HydrophobicContact CD2-CD1 3.8Å; Y61-L395 HydrophobicContact CD2-CD2 4.44Å; Y61-L395 HydrophobicContact CD2-CG 4.41Å; Y61-L395 HydrophobicContact CE1-CD2 4.19Å; Y61-L395 HydrophobicContact CE1-CG 4.24Å; Y61-L395 HydrophobicContact CE2-CD1 3.93Å; Y61-L395 HydrophobicContact CE2-CD2 3.74Å; Y61-L395 HydrophobicContact CE2-CG 4.17Å; Y61-L395 HydrophobicContact CG-CD1 4.06Å |
| 62 | G | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -127.4 | -138.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | V66 Y394 I439 G441 | G62-V66 PolarHBondContact N-O 3.35Å; G62-Y394 WeakPolarHBondContact O-CE1 3.4Å; G62-Y394 VanDerWaalsContact O-CZ 3.25Å; G62-Y394 PolarHBondContact O-OH 2.82Å; G62-I439 CarbonylContact C-O 3.57Å; G62-I439 VanDerWaalsContact C-O 3.25Å; G62-G441 CarbonylContact C-O 3.56Å; G62-G441 WeakPolarHBondContact CA-O 3.2Å | ||
| 63 | A | 93.4 | Very high | 93.1 | Very high | 19 Ų | 19 | 29.1 Ų | 29.1 | 16% | 0.157 | 16% | 0.157 | C | C | . | . | S | Bend | trans | -56.9 | 156.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | G65 V66 G441 | A63-G65 PolarHBondContact O-N 2.97Å; A63-G65 VanDerWaalsContact O-N 3.1Å; A63-V66 HydrophobicContact CB-CG2 4.08Å; A63-V66 WeakPolarHBondContact O-CA 3.31Å; A63-V66 VanDerWaalsContact O-CB 3.27Å; A63-V66 WeakPolarHBondContact O-CB 3.28Å; A63-V66 WeakPolarHBondContact O-CG2 3.14Å; A63-V66 PolarHBondContact O-N 2.9Å; A63-G441 PolarHBondContact N-O 3.44Å |
| 64 | P | 91.3 | Very high | 92.6 | Very high | 59 Ų | 59 | 34.2 Ų | 34.2 | 38% | 0.383 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 116.9 | -177.5 | -29.7 | 37.3 | 0 | 0 | 0 | 114.9 | P393 Y394 N444 A473 | P64-P393 HydrophobicContact CG-CB 3.91Å; P64-P393 HydrophobicContact CG-CG 4.02Å; P64-Y394 HydrophobicContact CG-CE1 4.47Å; P64-N444 PolarHBondContact O-ND2 2.9Å; P64-A473 HydrophobicContact CB-CB 4.29Å |
| 65 | G | 87.5 | Confident | 92.3 | Very high | 2 Ų | 2 | 34.9 Ų | 34.9 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.6 | 4.1 | -172.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | A63 | A63-G65 PolarHBondContact O-N 2.97Å; A63-G65 VanDerWaalsContact O-N 3.1Å |
| 66 | V | 92.1 | Very high | 92.3 | Very high | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.012 | 18% | 0.184 | C | C | . | . | trans | -97.1 | 102.1 | 163.2 | -174.8 | 0 | 0 | 0 | 0 | 107.5 | L48 G62 A63 F68 N444 C960 V962 | L48-V66 HydrophobicContact CD2-CG1 4.4Å; G62-V66 PolarHBondContact N-O 3.35Å; A63-V66 HydrophobicContact CB-CG2 4.08Å; A63-V66 WeakPolarHBondContact O-CA 3.31Å; A63-V66 VanDerWaalsContact O-CB 3.27Å; A63-V66 WeakPolarHBondContact O-CB 3.28Å; A63-V66 WeakPolarHBondContact O-CG2 3.14Å; A63-V66 PolarHBondContact O-N 2.9Å; V66-F68 HydrophobicContact CG1-CE2 4.09Å; V66-F68 HydrophobicContact CG1-CZ 4.22Å; V66-N444 HydrophobicContact CG2-CB 4.45Å; V66-C960 HydrophobicContact CB-CB 4.19Å; V66-C960 HydrophobicContact CG1-CB 4.09Å; V66-C960 HydrophobicContact CG2-CB 3.93Å; V66-V962 HydrophobicContact CG1-CG2 4.46Å | ||
| 67 | E | 92.2 | Very high | 92.3 | Very high | 26 Ų | 26 | 34.6 Ų | 34.6 | 12% | 0.121 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 147.9 | -179.7 | 56 | 175.9 | -139.5 | 0 | 0 | 111.1 | V29 I60 Y61 V472 P958 | V29-E67 VanDerWaalsContact CG2-OE1 3.24Å; V29-E67 WeakPolarHBondContact CG2-OE1 3.21Å; I60-E67 CarbonylContact O-C 3.56Å; I60-E67 WeakPolarHBondContact O-CA 3.49Å; Y61-E67 HydrophobicContact CD1-CB 4.08Å; Y61-E67 HydrophobicContact CE1-CB 4.25Å; E67-V472 VanDerWaalsContact CD-CG1 3.42Å; E67-V472 HydrophobicContact CG-CG1 3.97Å; E67-V472 WeakPolarHBondContact OE1-CG1 3.41Å; E67-P958 HydrophobicContact CG-CB 3.66Å; E67-P958 HydrophobicContact CG-CG 4.11Å |
| 68 | F | 92.2 | Very high | 92.4 | Very high | 12 Ų | 12 | 34.2 Ų | 34.2 | 5% | 0.053 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 138.3 | 177.4 | -47.7 | -75.5 | 0 | 0 | 0 | 109.5 | K59 I60 V66 L104 V121 L123 C960 V962 | K59-F68 CarbonylContact C-O 3.59Å; K59-F68 WeakPolarHBondContact CA-O 3.47Å; I60-F68 HydrophobicContact CB-CB 4.22Å; I60-F68 HydrophobicContact CB-CD2 4.03Å; I60-F68 HydrophobicContact CD1-CB 4.45Å; I60-F68 HydrophobicContact CD1-CD2 4.47Å; I60-F68 HydrophobicContact CG2-CD2 4.04Å; I60-F68 PolarHBondContact N-O 2.88Å; I60-F68 PolarHBondContact O-N 3.48Å; V66-F68 HydrophobicContact CG1-CE2 4.09Å; V66-F68 HydrophobicContact CG1-CZ 4.22Å; F68-L104 HydrophobicContact CB-CD2 4.36Å; F68-L104 HydrophobicContact CD1-CD2 4.13Å; F68-L104 HydrophobicContact CD2-CD2 3.66Å; F68-L104 HydrophobicContact CE1-CD2 4.37Å; F68-L104 HydrophobicContact CE2-CD1 4.22Å; F68-L104 HydrophobicContact CE2-CD2 3.93Å; F68-L104 HydrophobicContact CG-CD2 3.77Å; F68-L104 HydrophobicContact CZ-CD2 4.28Å; F68-V121 HydrophobicContact CE1-CB 3.76Å; F68-V121 HydrophobicContact CE1-CG1 3.76Å; F68-V121 VanDerWaalsContact CE1-O 3.32Å; F68-V121 WeakPolarHBondContact CE1-O 3.13Å; F68-V121 HydrophobicContact CZ-CB 4.16Å; F68-V121 HydrophobicContact CZ-CG1 4Å; F68-L123 HydrophobicContact CB-CB 4.07Å; F68-C960 WeakPolarHBondContact CE1-SG 3.46Å; F68-C960 WeakPolarHBondContact CZ-SG 3.4Å; F68-V962 HydrophobicContact CE2-CG2 3.91Å; F68-V962 HydrophobicContact CZ-CG2 3.77Å |
| 69 | T | 91.6 | Very high | 92.4 | Very high | 52 Ų | 52 | 36.7 Ų | 36.7 | 32% | 0.319 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 138.6 | 169.9 | -58.9 | 0 | 0 | 0 | 0 | 110.4 | I58 K59 N984 | I58-T69 CarbonylContact O-C 3.59Å; I58-T69 WeakPolarHBondContact O-CA 3.4Å; K59-T69 HydrophobicContact CG-CG2 4.17Å; T69-N984 WeakPolarHBondContact CG2-OD1 3.5Å |
| 70 | G | 91.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 38.5 Ų | 38.5 | 7% | 0.072 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 155.1 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | A57 I58 | A57-G70 WeakPolarHBondContact CA-O 3.25Å; I58-G70 PolarHBondContact N-O 3.1Å; I58-G70 PolarHBondContact O-N 2.83Å |
| 71 | L | 92.4 | Very high | 92.4 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 45% | 0.445 | 21% | 0.214 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 127.8 | 179.2 | -172.1 | 70.8 | 0 | 0 | 0 | 108.8 | A57 W102 | A57-L71 HydrophobicContact CB-CD1 3.94Å; L71-W102 WeakPolarHBondContact O-CH2 3.42Å |
| 72 | H | 92.6 | Very high | 92.4 | Very high | 9 Ų | 9 | 40.4 Ų | 40.4 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | trans | -63.8 | 159.9 | 172.2 | -64.2 | 86.1 | 0 | 0 | 0 | 110.3 | G56 D74 S92 L94 H100 W102 | G56-H72 PolarHBondContact O-N 2.9Å; G56-H72 PolarHBondContact O-ND1 3.46Å; H72-D74 VanDerWaalsContact C-N 3.26Å; H72-D74 PolarHBondContact O-N 3.28Å; H72-S92 PolarHBondContact CE1-OG 2.92Å; H72-S92 PolarHBondContact NE2-OG 3.14Å; H72-L94 HydrophobicContact CB-CD1 4.33Å; H72-H100 AromaticContact CD2-CD2 3.78Å; H72-H100 AromaticContact CD2-CE1 3.96Å; H72-H100 AromaticContact CD2-CG 3.58Å; H72-H100 AromaticContact CD2-ND1 3.69Å; H72-H100 AromaticContact NE2-CG 3.75Å; H72-W102 AromaticContact CD2-CZ2 3.7Å; H72-W102 AromaticContact CE1-CZ2 3.76Å; H72-W102 AromaticContact CE1-NE1 3.82Å; H72-W102 AromaticContact CG-CZ2 3.92Å; H72-W102 AromaticContact ND1-CZ2 3.94Å; H72-W102 AromaticContact NE2-CE2 3.72Å; H72-W102 AromaticContact NE2-CZ2 3.57Å; H72-W102 AromaticContact NE2-NE1 3.27Å; H72-W102 PolarHBondContact NE2-NE1 3.15Å | ||
| 73 | K | 86.4 | Confident | 92.4 | Very high | 165 Ų | 165 | 41.1 Ų | 41.1 | 72% | 0.717 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -65.2 | -36 | -179.6 | -66.9 | 176 | -176 | 168.8 | 0 | 111.7 | ||
| 74 | D | 86.1 | Confident | 92.3 | Very high | 110 Ų | 110 | 40.2 Ų | 40.2 | 59% | 0.588 | 22% | 0.218 | S | C | * | . | S | Bend | trans | -111.3 | 148 | -175.2 | -57.5 | -75.4 | 0 | 0 | 0 | 109.8 | H72 T76 | H72-D74 VanDerWaalsContact C-N 3.26Å; H72-D74 PolarHBondContact O-N 3.28Å; D74-T76 VanDerWaalsContact C-N 3.25Å; D74-T76 PolarHBondContact O-N 3.24Å |
| 75 | T | 88.6 | Confident | 92.1 | Very high | 88 Ų | 88 | 39.4 Ų | 39.4 | 54% | 0.54 | 21% | 0.212 | S | C | . | . | trans | -87.5 | 58 | -174.8 | 59 | 0 | 0 | 0 | 0 | 111.9 | H987 | T75-H987 WeakPolarHBondContact CG2-NE2 3.36Š| ||
| 76 | T | 92.5 | Very high | 92 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 23% | 0.233 | 21% | 0.211 | C | C | . | . | trans | -101.1 | 155.1 | 176.3 | 50.8 | 0 | 0 | 0 | 0 | 111 | G56 D74 L94 D96 | G56-T76 WeakPolarHBondContact CA-O 3.33Å; G56-T76 PolarHBondContact N-O 3.14Å; D74-T76 VanDerWaalsContact C-N 3.25Å; D74-T76 PolarHBondContact O-N 3.24Å; T76-L94 WeakPolarHBondContact OG1-CD1 3.44Å; T76-D96 WeakPolarHBondContact CB-OD2 3.25Å; T76-D96 HydrophobicContact CG2-CB 4.29Å; T76-D96 VanDerWaalsContact CG2-OD2 3.26Å; T76-D96 WeakPolarHBondContact CG2-OD2 3.32Å; T76-D96 PolarHBondContact OG1-OD2 3.07Å | ||
| 77 | A | 95 | Very high | 91.8 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 16% | 0.157 | 22% | 0.22 | C | C | . | . | trans | -77.4 | 134.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | K54 T79 L94 D95 | K54-A77 HydrophobicContact CB-CB 4.17Å; K54-A77 HydrophobicContact CG-CB 4.31Å; A77-T79 PolarHBondContact O-N 3.09Å; A77-L94 CarbonylContact O-C 3.56Å; A77-L94 WeakPolarHBondContact O-CA 3.41Å; A77-D95 HydrophobicContact CB-CB 4.17Å; A77-D95 PolarHBondContact O-N 2.94Å | ||
| 78 | V | 96.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 114.2 | 173.5 | -172.8 | 0 | 0 | 0 | 0 | 109 | S38 A39 T53 I58 I81 L93 L94 | S38-V78 CarbonylContact C-O 3.57Å; S38-V78 WeakPolarHBondContact CB-O 3.46Å; S38-V78 PolarHBondContact OG-O 2.93Å; A39-V78 HydrophobicContact CB-CG1 4.09Å; T53-V78 PolarHBondContact O-N 3.41Å; T53-V78 VanDerWaalsContact O-N 3.14Å; I58-V78 HydrophobicContact CG1-CG2 4.49Å; V78-I81 HydrophobicContact CG1-CD1 4.03Å; V78-I81 HydrophobicContact CG1-CG1 3.68Å; V78-L93 CarbonylContact C-O 3.56Å; V78-L94 HydrophobicContact CB-CD2 4.26Å; V78-L94 HydrophobicContact CG2-CD2 3.79Å |
| 79 | T | 95.4 | Very high | 91.6 | Very high | 52 Ų | 52 | 41.3 Ų | 41.3 | 32% | 0.319 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | -34.7 | -174.1 | 55 | 0 | 0 | 0 | 0 | 112.9 | A77 L93 D95 | A77-T79 PolarHBondContact O-N 3.09Å; T79-L93 PolarHBondContact N-O 2.88Å; T79-L93 WeakPolarHBondContact OG1-CD2 3.2Å; T79-L93 WeakPolarHBondContact OG1-CG 3.12Å; T79-L93 PolarHBondContact OG1-O 2.83Å; T79-D95 HydrophobicContact CG2-CB 4.05Å |
| 80 | Q | 95.9 | Very high | 91.7 | Very high | 45 Ų | 45 | 39 Ų | 39 | 21% | 0.21 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 152.6 | 174 | -58.8 | -174.5 | 16.4 | 0 | 0 | 111.2 | H82 S92 L93 T146 | Q80-H82 PolarHBondContact OE1-NE2 2.98Å; Q80-H82 VanDerWaalsContact OE1-NE2 3.1Å; Q80-S92 CarbonylContact O-C 3.57Å; Q80-S92 WeakPolarHBondContact O-CA 3.46Å; Q80-L93 HydrophobicContact CB-CB 4.01Å; Q80-L93 HydrophobicContact CB-CD2 4.46Å; Q80-L93 HydrophobicContact CG-CD2 4.19Å; Q80-L93 PolarHBondContact O-N 2.85Å; Q80-T146 PolarHBondContact NE2-O 2.89Å |
| 81 | I | 96.9 | Very high | 91.9 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.036 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 138.7 | 169.5 | -60.6 | 174.6 | 0 | 0 | 0 | 108.3 | A39 A41 A50 I58 V78 L90 L91 | A39-I81 HydrophobicContact CB-CD1 4.22Å; A39-I81 HydrophobicContact CB-CG1 4.01Å; A41-I81 HydrophobicContact CB-CB 3.76Å; A41-I81 HydrophobicContact CB-CG2 3.6Å; A41-I81 WeakPolarHBondContact CB-O 3.22Å; A50-I81 HydrophobicContact CB-CD1 4.23Å; A50-I81 HydrophobicContact CB-CG2 4.06Å; I58-I81 HydrophobicContact CG2-CD1 4.25Å; V78-I81 HydrophobicContact CG1-CD1 4.03Å; V78-I81 HydrophobicContact CG1-CG1 3.68Å; I81-L90 HydrophobicContact CG2-CB 4.43Å; I81-L90 HydrophobicContact CG2-CD1 4.21Å; I81-L90 HydrophobicContact CG2-CD2 4.45Å; I81-L91 CarbonylContact C-O 3.54Å; I81-L91 WeakPolarHBondContact CA-O 3.44Å |
| 82 | H | 95.1 | Very high | 92.1 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 24% | 0.236 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 118.9 | 177.7 | -67.2 | -93.6 | 0 | 0 | 0 | 110.3 | Q80 L90 L91 L148 | Q80-H82 PolarHBondContact OE1-NE2 2.98Å; Q80-H82 VanDerWaalsContact OE1-NE2 3.1Å; H82-L90 CarbonylContact O-C 3.48Å; H82-L90 WeakPolarHBondContact O-CA 3.41Å; H82-L91 PolarHBondContact N-O 2.9Å; H82-L91 PolarHBondContact O-N 3.37Å; H82-L148 PolarHBondContact CE1-O 3.46Å |
| 83 | F | 94.3 | Very high | 92.3 | Very high | 16 Ų | 16 | 34.3 Ų | 34.3 | 7% | 0.07 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 148.1 | 173.8 | -79.6 | -81.8 | 0 | 0 | 0 | 111.5 | A41 D43 L48 A50 I60 P85 L90 L150 | A41-F83 HydrophobicContact CB-CD2 3.85Å; A41-F83 HydrophobicContact CB-CE2 4.02Å; D43-F83 HydrophobicContact CB-CB 3.86Å; D43-F83 HydrophobicContact CB-CD1 4.02Å; D43-F83 HydrophobicContact CB-CD2 4.01Å; D43-F83 HydrophobicContact CB-CG 3.73Å; L48-F83 HydrophobicContact CB-CZ 4.31Å; A50-F83 HydrophobicContact CB-CE2 3.62Å; A50-F83 HydrophobicContact CB-CZ 3.65Å; I60-F83 HydrophobicContact CG2-CZ 4.28Å; F83-P85 WeakPolarHBondContact O-CD 3.38Å; F83-L90 HydrophobicContact CD1-CB 3.88Å; F83-L90 HydrophobicContact CD1-CD2 4.31Å; F83-L90 HydrophobicContact CE1-CB 4.22Å; F83-L90 HydrophobicContact CE1-CD2 3.79Å; F83-L90 HydrophobicContact CG-CB 4.31Å; F83-L90 HydrophobicContact CZ-CD2 4.11Å; F83-L150 VanDerWaalsContact O-CD2 3.3Å; F83-L150 WeakPolarHBondContact O-CD2 3.49Å |
| 84 | L | 92.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 103.5 | 163.7 | -76.2 | 67.1 | 0 | 0 | 0 | 108.1 | G86 Q87 R89 L91 L150 L171 | L84-G86 PolarHBondContact O-N 2.85Å; L84-Q87 HydrophobicContact CB-CB 4.12Å; L84-Q87 HydrophobicContact CB-CG 4.22Å; L84-Q87 PolarHBondContact O-N 3.38Å; L84-R89 HydrophobicContact CB-CB 4.17Å; L84-R89 HydrophobicContact CD1-CB 4.29Å; L84-R89 HydrophobicContact CD2-CB 4.16Å; L84-R89 HydrophobicContact CG-CB 4.44Å; L84-R89 PolarHBondContact N-O 3.19Å; L84-L91 HydrophobicContact CD1-CD1 4.08Å; L84-L91 HydrophobicContact CD1-CG 4.02Å; L84-L150 HydrophobicContact CB-CD2 4.25Å; L84-L150 HydrophobicContact CD1-CD2 4.23Å; L84-L150 HydrophobicContact CG-CD1 4.25Å; L84-L150 HydrophobicContact CG-CD2 3.85Å; L84-L171 HydrophobicContact CD2-CD1 4.29Å |
| 85 | P | 87.1 | Confident | 93 | Very high | 41 Ų | 41 | 26.4 Ų | 26.4 | 27% | 0.266 | 15% | 0.145 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 120.3 | -160.9 | -28 | 36.7 | 0 | 0 | 0 | 114 | D43 K45 F83 Q87 | D43-P85 WeakPolarHBondContact OD2-CA 3.41Å; K45-P85 HydrophobicContact CD-CB 4.19Å; K45-P85 HydrophobicContact CG-CB 4.34Å; K45-P85 PolarHBondContact NZ-O 2.89Å; F83-P85 WeakPolarHBondContact O-CD 3.38Å; P85-Q87 VanDerWaalsContact C-N 3.29Å; P85-Q87 PolarHBondContact O-N 3.12Å |
| 86 | G | 84.9 | Confident | 93.1 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 85.7 | -16.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | D43 L84 G88 D965 | D43-G86 PolarHBondContact OD2-N 2.99Å; L84-G86 PolarHBondContact O-N 2.85Å; G86-G88 VanDerWaalsContact C-N 3.34Å; G86-G88 PolarHBondContact O-N 3.12Å; G86-D965 PolarHBondContact O-N 2.89Å |
| 87 | Q | 88.4 | Confident | 93.1 | Very high | 41 Ų | 41 | 24.8 Ų | 24.8 | 19% | 0.192 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -14 | -176.8 | -59.5 | -163.2 | 20.3 | 0 | 0 | 113.9 | L84 P85 R89 C154 R966 | L84-Q87 HydrophobicContact CB-CB 4.12Å; L84-Q87 HydrophobicContact CB-CG 4.22Å; L84-Q87 PolarHBondContact O-N 3.38Å; P85-Q87 VanDerWaalsContact C-N 3.29Å; P85-Q87 PolarHBondContact O-N 3.12Å; Q87-R89 HydrophobicContact CB-CB 4.5Å; Q87-R89 HydrophobicContact CB-CG 3.98Å; Q87-R89 PolarHBondContact O-N 3.19Å; Q87-C154 VanDerWaalsContact NE2-CB 3.31Å; Q87-R966 PolarHBondContact O-NE 3.27Å |
| 88 | G | 86.8 | Confident | 93 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 32.7 | -172 | 0 | 0 | 0 | 0 | 0 | 112.3 | G86 L104 | G86-G88 VanDerWaalsContact C-N 3.34Å; G86-G88 PolarHBondContact O-N 3.12Å; G88-L104 PolarHBondContact O-N 2.92Å |
| 89 | R | 92.4 | Very high | 92.9 | Very high | 40 Ų | 40 | 25.2 Ų | 25.2 | 15% | 0.151 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 150.4 | 172.8 | -49.8 | -178.1 | 147.4 | 137.5 | -10.9 | 109.4 | L84 Q87 L101 W102 E103 | L84-R89 HydrophobicContact CB-CB 4.17Å; L84-R89 HydrophobicContact CD1-CB 4.29Å; L84-R89 HydrophobicContact CD2-CB 4.16Å; L84-R89 HydrophobicContact CG-CB 4.44Å; L84-R89 PolarHBondContact N-O 3.19Å; Q87-R89 HydrophobicContact CB-CB 4.5Å; Q87-R89 HydrophobicContact CB-CG 3.98Å; Q87-R89 PolarHBondContact O-N 3.19Å; R89-L101 HydrophobicContact CB-CD1 4.3Å; R89-W102 CarbonylContact C-O 3.57Å; R89-W102 VanDerWaalsContact CA-O 3.25Å; R89-W102 WeakPolarHBondContact CA-O 3.49Å; R89-E103 HydrophobicContact CG-CG 4.02Å; R89-E103 IonicContact CZ-OE1 3.24Å; R89-E103 IonicContact NE-OE1 3.86Å; R89-E103 PolarHBondContact NE-OE1 3.41Å; R89-E103 IonicContact NH2-OE1 2.67Å; R89-E103 PolarHBondContact NH2-OE1 2.73Å |
| 90 | L | 94.6 | Very high | 92.9 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 151.8 | 167.9 | 64.2 | 83.7 | 0 | 0 | 0 | 111.3 | A50 I58 I60 I81 H82 F83 W102 | A50-L90 HydrophobicContact CB-CD2 4.36Å; I58-L90 HydrophobicContact CD1-CD1 3.73Å; I58-L90 HydrophobicContact CG2-CD2 4.28Å; I60-L90 HydrophobicContact CD1-CD2 3.58Å; I60-L90 HydrophobicContact CG1-CD2 4.04Å; I81-L90 HydrophobicContact CG2-CB 4.43Å; I81-L90 HydrophobicContact CG2-CD1 4.21Å; I81-L90 HydrophobicContact CG2-CD2 4.45Å; H82-L90 CarbonylContact O-C 3.48Å; H82-L90 WeakPolarHBondContact O-CA 3.41Å; F83-L90 HydrophobicContact CD1-CB 3.88Å; F83-L90 HydrophobicContact CD1-CD2 4.31Å; F83-L90 HydrophobicContact CE1-CB 4.22Å; F83-L90 HydrophobicContact CE1-CD2 3.79Å; F83-L90 HydrophobicContact CG-CB 4.31Å; F83-L90 HydrophobicContact CZ-CD2 4.11Å; L90-W102 HydrophobicContact CD1-CB 3.73Å; L90-W102 HydrophobicContact CD1-CG 3.87Å; L90-W102 HydrophobicContact CG-CB 3.99Å; L90-W102 PolarHBondContact N-O 2.83Å; L90-W102 PolarHBondContact O-N 2.83Å |
| 91 | L | 95.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 143.5 | 168.5 | -65.7 | 163.5 | 0 | 0 | 0 | 108.6 | I81 H82 L84 I99 H100 L101 L157 L171 L174 | I81-L91 CarbonylContact C-O 3.54Å; I81-L91 WeakPolarHBondContact CA-O 3.44Å; H82-L91 PolarHBondContact N-O 2.9Å; H82-L91 PolarHBondContact O-N 3.37Å; L84-L91 HydrophobicContact CD1-CD1 4.08Å; L84-L91 HydrophobicContact CD1-CG 4.02Å; L91-I99 HydrophobicContact CD2-CG2 4.08Å; L91-H100 CarbonylContact C-O 3.56Å; L91-H100 VanDerWaalsContact CA-O 3.3Å; L91-H100 WeakPolarHBondContact CA-O 3.4Å; L91-L101 HydrophobicContact CD2-CB 4.2Å; L91-L101 HydrophobicContact CD2-CD1 3.91Å; L91-L101 HydrophobicContact CG-CD1 4.46Å; L91-L157 HydrophobicContact CD1-CD1 3.73Å; L91-L157 HydrophobicContact CD1-CD2 3.85Å; L91-L157 HydrophobicContact CD1-CG 4.32Å; L91-L171 HydrophobicContact CD1-CD1 4.23Å; L91-L171 HydrophobicContact CD1-CD2 4.21Å; L91-L171 HydrophobicContact CD2-CD2 4.16Å; L91-L174 HydrophobicContact CD2-CD2 4.13Å |
| 92 | S | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.6 | 169.2 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | H72 Q80 I99 H100 W102 | H72-S92 PolarHBondContact CE1-OG 2.92Å; H72-S92 PolarHBondContact NE2-OG 3.14Å; Q80-S92 CarbonylContact O-C 3.57Å; Q80-S92 WeakPolarHBondContact O-CA 3.46Å; S92-I99 CarbonylContact O-C 3.55Å; S92-I99 WeakPolarHBondContact O-CA 3.27Å; S92-H100 PolarHBondContact N-O 3.09Å; S92-H100 PolarHBondContact O-N 3.29Å; S92-W102 PolarHBondContact OG-NE1 3.1Å; S92-W102 VanDerWaalsContact OG-NE1 3.07Å |
| 93 | L | 96.1 | Very high | 92.6 | Very high | 4 Ų | 4 | 20 Ų | 20 | 2% | 0.021 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 139 | 171.2 | -174.5 | 69.2 | 0 | 0 | 0 | 108.9 | V78 T79 Q80 T98 I99 V145 L148 | V78-L93 CarbonylContact C-O 3.56Å; T79-L93 PolarHBondContact N-O 2.88Å; T79-L93 WeakPolarHBondContact OG1-CD2 3.2Å; T79-L93 WeakPolarHBondContact OG1-CG 3.12Å; T79-L93 PolarHBondContact OG1-O 2.83Å; Q80-L93 HydrophobicContact CB-CB 4.01Å; Q80-L93 HydrophobicContact CB-CD2 4.46Å; Q80-L93 HydrophobicContact CG-CD2 4.19Å; Q80-L93 PolarHBondContact O-N 2.85Å; L93-T98 WeakPolarHBondContact CA-O 3.47Å; L93-I99 HydrophobicContact CD1-CG1 3.71Å; L93-V145 HydrophobicContact CD1-CB 3.97Å; L93-V145 HydrophobicContact CD1-CG1 4Å; L93-V145 HydrophobicContact CD1-CG2 4.38Å; L93-V145 HydrophobicContact CD2-CB 4.05Å; L93-V145 HydrophobicContact CD2-CG1 3.7Å; L93-L148 HydrophobicContact CB-CD1 4.03Å |
| 94 | L | 95.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 19.4 Ų | 19.4 | 2% | 0.016 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 158.3 | 174.3 | -57.4 | -175 | 0 | 0 | 0 | 111.5 | H72 T76 A77 V78 D96 N97 T98 | H72-L94 HydrophobicContact CB-CD1 4.33Å; T76-L94 WeakPolarHBondContact OG1-CD1 3.44Å; A77-L94 CarbonylContact O-C 3.56Å; A77-L94 WeakPolarHBondContact O-CA 3.41Å; V78-L94 HydrophobicContact CB-CD2 4.26Å; V78-L94 HydrophobicContact CG2-CD2 3.79Å; L94-D96 WeakPolarHBondContact CB-OD1 3.47Å; L94-D96 PolarHBondContact O-N 3.33Å; L94-N97 PolarHBondContact O-N 3.24Å; L94-T98 WeakPolarHBondContact CD1-OG1 3.25Å; L94-T98 PolarHBondContact N-O 2.8Å |
| 95 | D | 92.8 | Very high | 92.1 | Very high | 105 Ų | 105 | 20.1 Ų | 20.1 | 56% | 0.561 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.4 | 178.1 | -159.2 | 39.9 | 0 | 0 | 0 | 113 | A77 T79 N97 | A77-D95 HydrophobicContact CB-CB 4.17Å; A77-D95 PolarHBondContact O-N 2.94Å; T79-D95 HydrophobicContact CG2-CB 4.05Å; D95-N97 PolarHBondContact O-N 3.01Å |
| 96 | D | 91 | Very high | 91.6 | Very high | 71 Ų | 71 | 20.4 Ų | 20.4 | 38% | 0.38 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | 4.9 | 173 | 57.1 | 46 | 0 | 0 | 0 | 114.7 | T76 L94 T98 | T76-D96 WeakPolarHBondContact CB-OD2 3.25Å; T76-D96 HydrophobicContact CG2-CB 4.29Å; T76-D96 VanDerWaalsContact CG2-OD2 3.26Å; T76-D96 WeakPolarHBondContact CG2-OD2 3.32Å; T76-D96 PolarHBondContact OG1-OD2 3.07Å; L94-D96 WeakPolarHBondContact CB-OD1 3.47Å; L94-D96 PolarHBondContact O-N 3.33Å; D96-T98 VanDerWaalsContact OD1-CB 3.27Å; D96-T98 WeakPolarHBondContact OD1-CB 3.34Å; D96-T98 VanDerWaalsContact OD1-CG2 3.23Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.4Å; D96-T98 PolarHBondContact OD1-N 3.29Å; D96-T98 PolarHBondContact OD1-OG1 3.14Å |
| 97 | N | 91.9 | Very high | 90.6 | Very high | 22 Ų | 22 | 21 Ų | 21 | 12% | 0.118 | 11% | 0.113 | C | C | . | . | S | Bend | trans | 73 | 17.1 | -179 | -153 | 52.5 | 0 | 0 | 0 | 115.7 | L94 D95 T143 H144 V145 | L94-N97 PolarHBondContact O-N 3.24Å; D95-N97 PolarHBondContact O-N 3.01Å; N97-T143 PolarHBondContact ND2-O 2.92Å; N97-H144 WeakPolarHBondContact OD1-CA 3.48Å; N97-V145 WeakPolarHBondContact OD1-CG2 3.25Å; N97-V145 PolarHBondContact OD1-N 2.86Å |
| 98 | T | 92.9 | Very high | 89.1 | Confident | 26 Ų | 26 | 23.5 Ų | 23.5 | 16% | 0.16 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 145.8 | 171.7 | 63 | 0 | 0 | 0 | 0 | 113.3 | L93 L94 D96 H100 | L93-T98 WeakPolarHBondContact CA-O 3.47Å; L94-T98 WeakPolarHBondContact CD1-OG1 3.25Å; L94-T98 PolarHBondContact N-O 2.8Å; D96-T98 VanDerWaalsContact OD1-CB 3.27Å; D96-T98 WeakPolarHBondContact OD1-CB 3.34Å; D96-T98 VanDerWaalsContact OD1-CG2 3.23Å; D96-T98 WeakPolarHBondContact OD1-CG2 3.4Å; D96-T98 PolarHBondContact OD1-N 3.29Å; D96-T98 PolarHBondContact OD1-OG1 3.14Å; T98-H100 PolarHBondContact OG1-CD2 3.21Å; T98-H100 PolarHBondContact OG1-NE2 3.35Å; T98-H100 VanDerWaalsContact OG1-NE2 3.08Å |
| 99 | I | 94.8 | Very high | 87.7 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 120.5 | 174.2 | -59.9 | 171.6 | 0 | 0 | 0 | 107.9 | L91 S92 L93 N128 Y129 L148 L157 V159 | L91-I99 HydrophobicContact CD2-CG2 4.08Å; S92-I99 CarbonylContact O-C 3.55Å; S92-I99 WeakPolarHBondContact O-CA 3.27Å; L93-I99 HydrophobicContact CD1-CG1 3.71Å; I99-N128 CarbonylContact O-C 3.57Å; I99-N128 VanDerWaalsContact O-CA 3.29Å; I99-N128 WeakPolarHBondContact O-CA 3.41Å; I99-Y129 PolarHBondContact N-O 3.07Å; I99-Y129 PolarHBondContact O-N 2.85Å; I99-L148 HydrophobicContact CD1-CD2 3.86Å; I99-L157 HydrophobicContact CD1-CD2 4.35Å; I99-L157 HydrophobicContact CG2-CD2 4.37Å; I99-V159 HydrophobicContact CD1-CG1 4.49Å; I99-V159 HydrophobicContact CD1-CG2 4.33Å |
| 100 | H | 95 | Very high | 86 | Confident | 22 Ų | 22 | 32.7 Ų | 32.7 | 10% | 0.102 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133 | -179.7 | -72.2 | -106.1 | 0 | 0 | 0 | 111.7 | H72 L91 S92 T98 H125 | H72-H100 AromaticContact CD2-CD2 3.78Å; H72-H100 AromaticContact CD2-CE1 3.96Å; H72-H100 AromaticContact CD2-CG 3.58Å; H72-H100 AromaticContact CD2-ND1 3.69Å; H72-H100 AromaticContact NE2-CG 3.75Å; L91-H100 CarbonylContact C-O 3.56Å; L91-H100 VanDerWaalsContact CA-O 3.3Å; L91-H100 WeakPolarHBondContact CA-O 3.4Å; S92-H100 PolarHBondContact N-O 3.09Å; S92-H100 PolarHBondContact O-N 3.29Å; T98-H100 PolarHBondContact OG1-CD2 3.21Å; T98-H100 PolarHBondContact OG1-NE2 3.35Å; T98-H100 VanDerWaalsContact OG1-NE2 3.08Å; H100-H125 AromaticContact CG-NE2 3.85Å; H100-H125 AromaticContact ND1-CD2 3.49Å; H100-H125 PolarHBondContact ND1-CD2 3.21Å; H100-H125 AromaticContact ND1-CE1 3.95Å; H100-H125 AromaticContact ND1-NE2 3.04Å; H100-H125 PolarHBondContact ND1-NE2 3.04Å |
| 101 | L | 95 | Very high | 83.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.6 | 170.9 | 179.6 | 64.4 | 0 | 0 | 0 | 110.8 | R89 L91 V126 D127 P172 L174 | R89-L101 HydrophobicContact CB-CD1 4.3Å; L91-L101 HydrophobicContact CD2-CB 4.2Å; L91-L101 HydrophobicContact CD2-CD1 3.91Å; L91-L101 HydrophobicContact CG-CD1 4.46Å; L101-V126 PolarHBondContact O-N 2.6Å; L101-D127 PolarHBondContact N-O 3.42Å; L101-D127 PolarHBondContact O-N 2.87Å; L101-P172 HydrophobicContact CD2-CB 3.94Å; L101-P172 WeakPolarHBondContact CD2-O 3.49Å; L101-L174 HydrophobicContact CB-CD1 4.2Å |
| 102 | W | 94.8 | Very high | 81 | Confident | 6 Ų | 6 | 41.4 Ų | 41.4 | 2% | 0.023 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 144.9 | 179.3 | -64.3 | 86 | 0 | 0 | 0 | 111.1 | I58 L71 H72 R89 L90 S92 L123 K124 H125 | I58-W102 HydrophobicContact CD1-CD2 4.26Å; I58-W102 HydrophobicContact CD1-CG 4.26Å; I58-W102 HydrophobicContact CD1-CZ2 4.29Å; L71-W102 WeakPolarHBondContact O-CH2 3.42Å; H72-W102 AromaticContact CD2-CZ2 3.7Å; H72-W102 AromaticContact CE1-CZ2 3.76Å; H72-W102 AromaticContact CE1-NE1 3.82Å; H72-W102 AromaticContact CG-CZ2 3.92Å; H72-W102 AromaticContact ND1-CZ2 3.94Å; H72-W102 AromaticContact NE2-CE2 3.72Å; H72-W102 AromaticContact NE2-CZ2 3.57Å; H72-W102 AromaticContact NE2-NE1 3.27Å; H72-W102 PolarHBondContact NE2-NE1 3.15Å; R89-W102 CarbonylContact C-O 3.57Å; R89-W102 VanDerWaalsContact CA-O 3.25Å; R89-W102 WeakPolarHBondContact CA-O 3.49Å; L90-W102 HydrophobicContact CD1-CB 3.73Å; L90-W102 HydrophobicContact CD1-CG 3.87Å; L90-W102 HydrophobicContact CG-CB 3.99Å; L90-W102 PolarHBondContact N-O 2.83Å; L90-W102 PolarHBondContact O-N 2.83Å; S92-W102 PolarHBondContact OG-NE1 3.1Å; S92-W102 VanDerWaalsContact OG-NE1 3.07Å; W102-L123 HydrophobicContact CB-CD1 3.97Å; W102-L123 HydrophobicContact CB-CG 4.47Å; W102-L123 HydrophobicContact CE3-CD2 4.15Å; W102-L123 HydrophobicContact CE3-CG 3.87Å; W102-K124 WeakPolarHBondContact CA-O 3.12Å; W102-H125 HydrophobicContact CD2-CB 4.27Å; W102-H125 HydrophobicContact CE3-CB 3.86Å; W102-H125 VanDerWaalsContact CE3-N 3.3Å; W102-H125 HydrophobicContact CH2-CB 3.9Å; W102-H125 HydrophobicContact CZ2-CB 4.29Å; W102-H125 HydrophobicContact CZ3-CB 3.68Å |
| 103 | E | 92.2 | Very high | 78.5 | Confident | 17 Ų | 17 | 44.5 Ų | 44.5 | 8% | 0.079 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 140 | 178.9 | -63.8 | -159.2 | 177 | 0 | 0 | 112.6 | R89 V105 K124 V126 R966 | R89-E103 HydrophobicContact CG-CG 4.02Å; R89-E103 IonicContact CZ-OE1 3.24Å; R89-E103 IonicContact NE-OE1 3.86Å; R89-E103 PolarHBondContact NE-OE1 3.41Å; R89-E103 IonicContact NH2-OE1 2.67Å; R89-E103 PolarHBondContact NH2-OE1 2.73Å; E103-V105 HydrophobicContact CB-CG1 4.2Å; E103-K124 PolarHBondContact N-O 3.48Å; E103-K124 PolarHBondContact O-N 3.46Å; E103-V126 HydrophobicContact CB-CG2 3.86Å; E103-V126 HydrophobicContact CG-CB 4.37Å; E103-V126 HydrophobicContact CG-CG2 3.57Å; E103-R966 VanDerWaalsContact CD-NH2 3.29Å; E103-R966 IonicContact OE1-NH1 3.04Å; E103-R966 IonicContact OE1-NH2 3.27Å; E103-R966 IonicContact OE2-CZ 3.63Å; E103-R966 IonicContact OE2-NH1 3.34Å; E103-R966 PolarHBondContact OE2-NH1 3.23Å; E103-R966 IonicContact OE2-NH2 3.18Å; E103-R966 PolarHBondContact OE2-NH2 3.01Å |
| 104 | L | 89.8 | Confident | 75.8 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.016 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 120.9 | 162.2 | -66 | 176.6 | 0 | 0 | 0 | 109.2 | L48 I60 F68 G88 V121 C122 L123 V962 L968 | L48-L104 HydrophobicContact CD1-CD1 4.2Å; I60-L104 HydrophobicContact CD1-CD2 4.28Å; F68-L104 HydrophobicContact CB-CD2 4.36Å; F68-L104 HydrophobicContact CD1-CD2 4.13Å; F68-L104 HydrophobicContact CD2-CD2 3.66Å; F68-L104 HydrophobicContact CE1-CD2 4.37Å; F68-L104 HydrophobicContact CE2-CD1 4.22Å; F68-L104 HydrophobicContact CE2-CD2 3.93Å; F68-L104 HydrophobicContact CG-CD2 3.77Å; F68-L104 HydrophobicContact CZ-CD2 4.28Å; G88-L104 PolarHBondContact O-N 2.92Å; L104-V121 HydrophobicContact CB-CG1 3.84Å; L104-V121 HydrophobicContact CD2-CG1 4.11Å; L104-V121 HydrophobicContact CG-CG1 4.44Å; L104-C122 WeakPolarHBondContact CA-O 3.39Å; L104-L123 HydrophobicContact CD2-CB 4.24Å; L104-L123 HydrophobicContact CD2-CD1 3.93Å; L104-L123 HydrophobicContact CG-CD1 4.42Å; L104-V962 HydrophobicContact CD1-CG2 4.4Å; L104-L968 WeakPolarHBondContact O-CD2 3.34Å |
| 105 | V | 85.8 | Confident | 73.1 | Confident | 15 Ų | 15 | 50 Ų | 50 | 9% | 0.091 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 150.9 | -179.7 | -64.3 | 0 | 0 | 0 | 0 | 111.1 | E103 G107 V121 C122 K124 T971 | E103-V105 HydrophobicContact CB-CG1 4.2Å; V105-G107 PolarHBondContact O-N 2.86Å; V105-V121 CarbonylContact O-C 3.54Å; V105-V121 WeakPolarHBondContact O-CA 3.31Å; V105-C122 PolarHBondContact N-O 2.97Å; V105-C122 PolarHBondContact O-N 3.33Å; V105-K124 HydrophobicContact CG2-CB 3.78Å; V105-K124 HydrophobicContact CG2-CD 4.31Å; V105-T971 HydrophobicContact CG2-CG2 4.28Å |
| 106 | V | 75.7 | Confident | 70.7 | Confident | 48 Ų | 48 | 52.7 Ų | 52.7 | 29% | 0.291 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 119 | 173.3 | 174.5 | 0 | 0 | 0 | 0 | 108.7 | V121 L968 | V106-V121 HydrophobicContact CG2-CG2 4.48Å; V106-L968 HydrophobicContact CG2-CB 3.86Å; V106-L968 HydrophobicContact CG2-CD1 3.81Å; V106-L968 HydrophobicContact CG2-CD2 4.25Å; V106-L968 HydrophobicContact CG2-CG 4.18Å |
| 107 | G | 65.1 | Low | 68.9 | Low | 12 Ų | 12 | 53.6 Ų | 53.6 | 12% | 0.124 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 163.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V105 G119 G120 | V105-G107 PolarHBondContact O-N 2.86Å; G107-G119 WeakPolarHBondContact O-CA 3.49Å; G107-G120 PolarHBondContact N-O 2.92Å |
| 108 | P | 56.9 | Low | 67.1 | Low | 93 Ų | 93 | 60 Ų | 60 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -62.2 | 146.7 | 174.5 | 26.5 | -34.6 | 0 | 0 | 0 | 111.5 | R110 | P108-R110 PolarHBondContact O-N 2.96Š|
| 109 | H | 57.9 | Low | 65.5 | Low | 134 Ų | 134 | 59.5 Ų | 59.5 | 62% | 0.62 | 34% | 0.338 | S | S | * | . | P | Polyproline II helix | trans | -51.6 | 127.4 | 171.5 | -74.7 | -77.5 | 0 | 0 | 0 | 110.9 | K117 | H109-K117 PolarHBondContact ND1-O 2.87Š|
| 110 | R | 55 | Low | 64.1 | Low | 101 Ų | 101 | 60.5 Ų | 60.5 | 38% | 0.381 | 35% | 0.348 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 130.4 | 173.3 | -57.5 | -169 | -160 | 157.4 | 8 | 110.4 | P108 V112 K117 E957 | P108-R110 PolarHBondContact O-N 2.96Å; R110-V112 HydrophobicContact CB-CG2 4.04Å; R110-K117 PolarHBondContact O-N 2.86Å; R110-K117 VanDerWaalsContact O-N 3.11Å; R110-E957 IonicContact CZ-OE2 3.74Å; R110-E957 IonicContact NH1-OE1 3.86Å; R110-E957 PolarHBondContact NH1-OE1 3.41Å; R110-E957 IonicContact NH1-OE2 2.71Å; R110-E957 PolarHBondContact NH1-OE2 3.33Å; R110-E957 IonicContact NH2-OE2 2.73Å |
| 111 | E | 43.2 | Very low | 63.3 | Low | 133 Ų | 133 | 60.3 Ų | 60.3 | 62% | 0.621 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 110.1 | 163.2 | -72.2 | -177.1 | 175.9 | 0 | 0 | 108.6 | A115 K116 | E111-A115 WeakPolarHBondContact CA-O 3.35Å; E111-K116 HydrophobicContact CG-CG 3.66Å; E111-K116 WeakPolarHBondContact OE1-CE 3.39Å; E111-K116 WeakPolarHBondContact OE1-CG 3.3Å; E111-K116 IonicContact OE1-NZ 3.16Å |
| 112 | V | 43.9 | Very low | 62.8 | Low | 52 Ų | 52 | 63 Ų | 63 | 32% | 0.315 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 115.2 | 177.6 | -177.1 | 0 | 0 | 0 | 0 | 107.6 | R110 G114 A115 | R110-V112 HydrophobicContact CB-CG2 4.04Å; V112-G114 VanDerWaalsContact C-N 3.31Å; V112-G114 PolarHBondContact O-N 3.49Å; V112-A115 PolarHBondContact N-O 3.36Å; V112-A115 PolarHBondContact O-N 3.19Å |
| 113 | G | 43.5 | Very low | 62.6 | Low | 66 Ų | 66 | 63.6 Ų | 63.6 | 68% | 0.68 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 30.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | A115 | G113-A115 PolarHBondContact O-N 3.25Š|
| 114 | G | 39.4 | Very low | 62.5 | Low | 72 Ų | 72 | 68 Ų | 68 | 74% | 0.742 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77.3 | -3.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | V112 | V112-G114 VanDerWaalsContact C-N 3.31Å; V112-G114 PolarHBondContact O-N 3.49Å |
| 115 | A | 39.4 | Very low | 62.6 | Low | 51 Ų | 51 | 70.1 Ų | 70.1 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 124.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E111 V112 G113 K117 | E111-A115 WeakPolarHBondContact CA-O 3.35Å; V112-A115 PolarHBondContact N-O 3.36Å; V112-A115 PolarHBondContact O-N 3.19Å; G113-A115 PolarHBondContact O-N 3.25Å; A115-K117 PolarHBondContact O-N 2.65Å |
| 116 | K | 42.5 | Very low | 62.8 | Low | 161 Ų | 161 | 72.7 Ų | 72.7 | 70% | 0.7 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.4 | 112.4 | 165.6 | -73.9 | -177.7 | 176.4 | -176.1 | 0 | 109 | E111 | E111-K116 HydrophobicContact CG-CG 3.66Å; E111-K116 WeakPolarHBondContact OE1-CE 3.39Å; E111-K116 WeakPolarHBondContact OE1-CG 3.3Å; E111-K116 IonicContact OE1-NZ 3.16Å |
| 117 | K | 52.6 | Low | 63.5 | Low | 89 Ų | 89 | 73.7 Ų | 73.7 | 39% | 0.387 | 42% | 0.418 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 155.4 | 168.5 | -66.6 | -176.9 | -179.8 | 179 | 0 | 110.1 | H109 R110 A115 | H109-K117 PolarHBondContact ND1-O 2.87Å; R110-K117 PolarHBondContact O-N 2.86Å; R110-K117 VanDerWaalsContact O-N 3.11Å; A115-K117 PolarHBondContact O-N 2.65Å |
| 118 | E | 53.3 | Low | 64.8 | Low | 158 Ų | 158 | 76.8 Ų | 76.8 | 74% | 0.738 | 43% | 0.432 | S | S | * | . | P | Polyproline II helix | trans | -60.2 | 145 | 164.3 | -67.4 | -174.5 | 145.1 | 0 | 0 | 109.8 | G120 | E118-G120 PolarHBondContact O-N 3.33Š|
| 119 | G | 59.2 | Low | 66.4 | Low | 14 Ų | 14 | 74.1 Ų | 74.1 | 14% | 0.144 | 41% | 0.41 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 122.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | G107 | G107-G119 WeakPolarHBondContact O-CA 3.49Š|
| 120 | G | 65.6 | Low | 67.9 | Low | 23 Ų | 23 | 71.1 Ų | 71.1 | 24% | 0.237 | 40% | 0.404 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 146.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G107 E118 | G107-G120 PolarHBondContact N-O 2.92Å; E118-G120 PolarHBondContact O-N 3.33Å |
| 121 | V | 78.8 | Confident | 69.4 | Low | 18 Ų | 18 | 66.8 Ų | 66.8 | 11% | 0.109 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 141.1 | 171.1 | 178.1 | 0 | 0 | 0 | 0 | 109 | F68 L104 V105 V106 C960 | F68-V121 HydrophobicContact CE1-CB 3.76Å; F68-V121 HydrophobicContact CE1-CG1 3.76Å; F68-V121 VanDerWaalsContact CE1-O 3.32Å; F68-V121 WeakPolarHBondContact CE1-O 3.13Å; F68-V121 HydrophobicContact CZ-CB 4.16Å; F68-V121 HydrophobicContact CZ-CG1 4Å; L104-V121 HydrophobicContact CB-CG1 3.84Å; L104-V121 HydrophobicContact CD2-CG1 4.11Å; L104-V121 HydrophobicContact CG-CG1 4.44Å; V105-V121 CarbonylContact O-C 3.54Å; V105-V121 WeakPolarHBondContact O-CA 3.31Å; V106-V121 HydrophobicContact CG2-CG2 4.48Å; V121-C960 PolarHBondContact N-O 3.02Å |
| 122 | C | 84.6 | Confident | 71 | Confident | 56 Ų | 56 | 64.3 Ų | 64.3 | 38% | 0.378 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 154.1 | 175.5 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | L104 V105 | L104-C122 WeakPolarHBondContact CA-O 3.39Å; V105-C122 PolarHBondContact N-O 2.97Å; V105-C122 PolarHBondContact O-N 3.33Å |
| 123 | L | 90.1 | Very high | 72 | Confident | 19 Ų | 19 | 63.7 Ų | 63.7 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 122.8 | 175.8 | -172.5 | 66.2 | 0 | 0 | 0 | 109.3 | I58 I60 F68 W102 L104 | I58-L123 HydrophobicContact CB-CD2 4.46Å; I58-L123 HydrophobicContact CG2-CD2 4.27Å; I60-L123 HydrophobicContact CD1-CD1 3.73Å; I60-L123 HydrophobicContact CD1-CD2 3.75Å; I60-L123 HydrophobicContact CD1-CG 4.27Å; I60-L123 HydrophobicContact CG1-CD2 4.27Å; F68-L123 HydrophobicContact CB-CB 4.07Å; W102-L123 HydrophobicContact CB-CD1 3.97Å; W102-L123 HydrophobicContact CB-CG 4.47Å; W102-L123 HydrophobicContact CE3-CD2 4.15Å; W102-L123 HydrophobicContact CE3-CG 3.87Å; L104-L123 HydrophobicContact CD2-CB 4.24Å; L104-L123 HydrophobicContact CD2-CD1 3.93Å; L104-L123 HydrophobicContact CG-CD1 4.42Å |
| 124 | K | 90.1 | Very high | 72.9 | Confident | 110 Ų | 110 | 68.2 Ų | 68.2 | 48% | 0.478 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 133.5 | -178.9 | -175.7 | -173.9 | 171 | -169.5 | 0 | 110.4 | W102 E103 V105 | W102-K124 WeakPolarHBondContact CA-O 3.12Å; E103-K124 PolarHBondContact N-O 3.48Å; E103-K124 PolarHBondContact O-N 3.46Å; V105-K124 HydrophobicContact CG2-CB 3.78Å; V105-K124 HydrophobicContact CG2-CD 4.31Å |
| 125 | H | 91.7 | Very high | 73.3 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 22% | 0.222 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 126.8 | 166.5 | 179.3 | -97.1 | 0 | 0 | 0 | 109.2 | H100 W102 D127 | H100-H125 AromaticContact CG-NE2 3.85Å; H100-H125 AromaticContact ND1-CD2 3.49Å; H100-H125 PolarHBondContact ND1-CD2 3.21Å; H100-H125 AromaticContact ND1-CE1 3.95Å; H100-H125 AromaticContact ND1-NE2 3.04Å; H100-H125 PolarHBondContact ND1-NE2 3.04Å; W102-H125 HydrophobicContact CD2-CB 4.27Å; W102-H125 HydrophobicContact CE3-CB 3.86Å; W102-H125 VanDerWaalsContact CE3-N 3.3Å; W102-H125 HydrophobicContact CH2-CB 3.9Å; W102-H125 HydrophobicContact CZ2-CB 4.29Å; W102-H125 HydrophobicContact CZ3-CB 3.68Å; H125-D127 PolarHBondContact CE1-O 2.95Å; H125-D127 VanDerWaalsContact NE2-C 3.34Å; H125-D127 PolarHBondContact NE2-O 2.87Å |
| 126 | V | 90.4 | Very high | 73.9 | Confident | 68 Ų | 68 | 72.9 Ų | 72.9 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | -55.3 | -178.4 | 171.4 | 0 | 0 | 0 | 0 | 111 | L101 E103 | L101-V126 PolarHBondContact O-N 2.6Å; E103-V126 HydrophobicContact CB-CG2 3.86Å; E103-V126 HydrophobicContact CG-CB 4.37Å; E103-V126 HydrophobicContact CG-CG2 3.57Å |
| 127 | D | 90.1 | Very high | 74.4 | Confident | 69 Ų | 69 | 70 Ų | 70 | 37% | 0.369 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 170.3 | -178.4 | -149.4 | -8.8 | 0 | 0 | 0 | 113.1 | L101 H125 L174 | L101-D127 PolarHBondContact N-O 3.42Å; L101-D127 PolarHBondContact O-N 2.87Å; H125-D127 PolarHBondContact CE1-O 2.95Å; H125-D127 VanDerWaalsContact NE2-C 3.34Å; H125-D127 PolarHBondContact NE2-O 2.87Å; D127-L174 HydrophobicContact CB-CD1 4.13Å |
| 128 | N | 92.3 | Very high | 74 | Confident | 78 Ų | 78 | 75.2 Ų | 75.2 | 42% | 0.417 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 147.7 | -179 | 74 | 119.4 | 0 | 0 | 0 | 111.1 | I99 | I99-N128 CarbonylContact O-C 3.57Å; I99-N128 VanDerWaalsContact O-CA 3.29Å; I99-N128 WeakPolarHBondContact O-CA 3.41Å |
| 129 | Y | 91.6 | Very high | 73.9 | Confident | 36 Ų | 36 | 71.4 Ų | 71.4 | 14% | 0.141 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 148 | -178.1 | 174.1 | -95.7 | 0 | 0 | 0 | 110.2 | I99 L131 P132 V169 L174 | I99-Y129 PolarHBondContact N-O 3.07Å; I99-Y129 PolarHBondContact O-N 2.85Å; Y129-L131 HydrophobicContact CE1-CG 4.22Å; Y129-P132 WeakPolarHBondContact OH-CD 3.37Å; Y129-V169 HydrophobicContact CE1-CG2 3.98Å; Y129-L174 HydrophobicContact CD2-CB 4.44Å; Y129-L174 VanDerWaalsContact CD2-O 3.27Å; Y129-L174 WeakPolarHBondContact CD2-O 3.08Å; Y129-L174 HydrophobicContact CG-CB 4.17Å |
| 130 | S | 89.4 | Confident | 73.9 | Confident | 71 Ų | 71 | 74.9 Ų | 74.9 | 50% | 0.497 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 141.9 | 172 | 50.1 | 0 | 0 | 0 | 0 | 109.2 | P132 | S130-P132 WeakPolarHBondContact O-CD 3.4Å |
| 131 | L | 85.1 | Confident | 74 | Confident | 10 Ų | 10 | 76.5 Ų | 76.5 | 5% | 0.052 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 122.6 | 177 | -99.8 | 163.5 | 0 | 0 | 0 | 109.7 | Y129 G133 V145 V159 T161 Y167 | Y129-L131 HydrophobicContact CE1-CG 4.22Å; L131-G133 PolarHBondContact O-N 2.81Å; L131-V145 HydrophobicContact CD1-CG2 3.62Å; L131-V159 HydrophobicContact CD1-CB 4.36Å; L131-V159 HydrophobicContact CD1-CG1 3.54Å; L131-T161 HydrophobicContact CD1-CG2 3.87Å; L131-Y167 HydrophobicContact CD1-CD2 4.21Å; L131-Y167 HydrophobicContact CD2-CD1 3.78Å; L131-Y167 HydrophobicContact CD2-CD2 3.97Å; L131-Y167 HydrophobicContact CD2-CE1 4.21Å; L131-Y167 HydrophobicContact CD2-CE2 4.4Å; L131-Y167 HydrophobicContact CD2-CG 3.66Å |
| 132 | P | 76.4 | Confident | 73.9 | Confident | 82 Ų | 82 | 78.1 Ų | 78.1 | 53% | 0.532 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 123.4 | -178.6 | 25.5 | -33.7 | 0 | 0 | 0 | 111.3 | Y129 S130 L176 | Y129-P132 WeakPolarHBondContact OH-CD 3.37Å; S130-P132 WeakPolarHBondContact O-CD 3.4Å; P132-L176 HydrophobicContact CG-CD2 4.38Å |
| 133 | G | 66.4 | Low | 73.9 | Confident | 38 Ų | 38 | 76 Ų | 76 | 39% | 0.392 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -63.5 | 157.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | L131 P135 | L131-G133 PolarHBondContact O-N 2.81Å; G133-P135 WeakPolarHBondContact O-CD 3.44Å |
| 134 | R | 60.9 | Low | 73.9 | Confident | 161 Ų | 161 | 78.2 Ų | 78.2 | 61% | 0.608 | 46% | 0.46 | S | S | * | . | P | Polyproline II helix | trans | -66 | 124.9 | 175.2 | -73.2 | -174.1 | 177.2 | -177.1 | 0.4 | 110.1 | G136 I137 | R134-G136 PolarHBondContact O-N 2.92Å; R134-I137 HydrophobicContact CB-CD1 4.49Å; R134-I137 PolarHBondContact O-N 2.87Å |
| 135 | P | 49.5 | Very low | 74.1 | Confident | 136 Ų | 136 | 73.2 Ų | 73.2 | 88% | 0.883 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 127.6 | 178.2 | -27 | 35.3 | 0 | 0 | 0 | 112.2 | G133 | G133-P135 WeakPolarHBondContact O-CD 3.44Š|
| 136 | G | 50.5 | Low | 74.1 | Confident | 85 Ų | 85 | 72.3 Ų | 72.3 | 88% | 0.876 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.6 | 7.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | R134 | R134-G136 PolarHBondContact O-N 2.92Š|
| 137 | I | 54.4 | Low | 74.3 | Confident | 102 Ų | 102 | 70 Ų | 70 | 52% | 0.523 | 42% | 0.423 | S | S | . | . | trans | -123.5 | 110.1 | 170.4 | -60.2 | 176.2 | 0 | 0 | 0 | 109 | R134 S139 | R134-I137 HydrophobicContact CB-CD1 4.49Å; R134-I137 PolarHBondContact O-N 2.87Å; I137-S139 PolarHBondContact O-N 3.26Å | ||
| 138 | E | 43.9 | Very low | 74.5 | Confident | 197 Ų | 197 | 67 Ų | 67 | 92% | 0.921 | 41% | 0.407 | S | S | * | . | trans | -73.1 | -8.6 | -178.5 | -60.8 | -179.8 | 154.7 | 0 | 0 | 113.7 | C140 | E138-C140 PolarHBondContact O-N 3.39Š| ||
| 139 | S | 51.2 | Low | 74.6 | Confident | 78 Ų | 78 | 64.4 Ų | 64.4 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | trans | -86.2 | 94.4 | 178.6 | -165.2 | 0 | 0 | 0 | 0 | 111.4 | I137 S141 | I137-S139 PolarHBondContact O-N 3.26Å; S139-S141 PolarHBondContact O-N 3.2Å; S139-S141 PolarHBondContact OG-OG 2.78Å | ||
| 140 | C | 58.4 | Low | 74.6 | Confident | 87 Ų | 87 | 64 Ų | 64 | 59% | 0.588 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -69.1 | -6.4 | -177.9 | -62.5 | 0 | 0 | 0 | 0 | 115.6 | E138 A142 T143 H144 | E138-C140 PolarHBondContact O-N 3.39Å; C140-A142 PolarHBondContact O-N 2.68Å; C140-T143 CarbonylContact O-C 3.47Å; C140-T143 PolarHBondContact O-N 3.25Å; C140-T143 PolarHBondContact O-OG1 3.18Å; C140-H144 PolarHBondContact O-N 2.66Å |
| 141 | S | 67.6 | Low | 74.6 | Confident | 58 Ų | 58 | 61.1 Ų | 61.1 | 41% | 0.406 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -55.7 | -46.8 | -172 | 51.5 | 0 | 0 | 0 | 0 | 113.4 | S139 T143 H144 E162 | S139-S141 PolarHBondContact O-N 3.2Å; S139-S141 PolarHBondContact OG-OG 2.78Å; S141-T143 PolarHBondContact O-N 3.24Å; S141-H144 VanDerWaalsContact O-CB 3.28Å; S141-H144 WeakPolarHBondContact O-CB 3.44Å; S141-H144 PolarHBondContact O-N 3.23Å; S141-E162 WeakPolarHBondContact CB-OE2 3.18Å; S141-E162 WeakPolarHBondContact O-CB 3.4Å |
| 142 | A | 77.3 | Confident | 74.6 | Confident | 52 Ų | 52 | 66.8 Ų | 66.8 | 43% | 0.43 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -58.1 | -19.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | C140 T161 G163 | C140-A142 PolarHBondContact O-N 2.68Å; A142-T161 WeakPolarHBondContact O-CB 3.37Å; A142-T161 PolarHBondContact O-OG1 3.42Å; A142-G163 WeakPolarHBondContact O-CA 3.3Å; A142-G163 PolarHBondContact O-N 2.87Å |
| 143 | T | 84.9 | Confident | 75 | Confident | 12 Ų | 12 | 66.2 Ų | 66.2 | 7% | 0.074 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -108.4 | 3.9 | 176.7 | 40.4 | 0 | 0 | 0 | 0 | 114 | N97 C140 S141 | N97-T143 PolarHBondContact ND2-O 2.92Å; C140-T143 CarbonylContact O-C 3.47Å; C140-T143 PolarHBondContact O-N 3.25Å; C140-T143 PolarHBondContact O-OG1 3.18Å; S141-T143 PolarHBondContact O-N 3.24Å |
| 144 | H | 89.9 | Confident | 75.8 | Confident | 64 Ų | 64 | 65 Ų | 65 | 30% | 0.296 | 38% | 0.38 | S | S | . | . | trans | -67.3 | 132.5 | 171.5 | -173.8 | 66.8 | 0 | 0 | 0 | 110.2 | N97 C140 S141 T161 E162 | N97-H144 WeakPolarHBondContact OD1-CA 3.48Å; C140-H144 PolarHBondContact O-N 2.66Å; S141-H144 VanDerWaalsContact O-CB 3.28Å; S141-H144 WeakPolarHBondContact O-CB 3.44Å; S141-H144 PolarHBondContact O-N 3.23Å; H144-T161 CarbonylContact O-C 3.48Å; H144-T161 WeakPolarHBondContact O-CA 3.47Å; H144-T161 WeakPolarHBondContact O-CB 3.41Å; H144-E162 HydrophobicContact CB-CG 4.08Å; H144-E162 IonicContact CD2-OE1 2.73Å; H144-E162 PolarHBondContact O-N 2.94Å | ||
| 145 | V | 93.5 | Very high | 77.1 | Confident | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.03 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 118.8 | -173.1 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | L93 N97 L131 L148 V159 G160 | L93-V145 HydrophobicContact CD1-CB 3.97Å; L93-V145 HydrophobicContact CD1-CG1 4Å; L93-V145 HydrophobicContact CD1-CG2 4.38Å; L93-V145 HydrophobicContact CD2-CB 4.05Å; L93-V145 HydrophobicContact CD2-CG1 3.7Å; N97-V145 WeakPolarHBondContact OD1-CG2 3.25Å; N97-V145 PolarHBondContact OD1-N 2.86Å; L131-V145 HydrophobicContact CD1-CG2 3.62Å; V145-L148 HydrophobicContact CG1-CD2 3.86Å; V145-L148 HydrophobicContact CG1-CG 4.18Å; V145-V159 HydrophobicContact CB-CG1 4.25Å; V145-V159 HydrophobicContact CG1-CG1 3.69Å; V145-V159 HydrophobicContact CG2-CG1 3.53Å; V145-G160 WeakPolarHBondContact CA-O 3.25Å |
| 146 | T | 92.7 | Very high | 79.1 | Confident | 29 Ų | 29 | 56.3 Ų | 56.3 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | -39.4 | 177.8 | 53.1 | 0 | 0 | 0 | 0 | 111.8 | Q80 G160 E162 P205 V206 | Q80-T146 PolarHBondContact NE2-O 2.89Å; T146-G160 PolarHBondContact N-O 2.86Å; T146-G160 PolarHBondContact OG1-O 3.24Å; T146-E162 HydrophobicContact CG2-CB 4.46Å; T146-E162 HydrophobicContact CG2-CG 3.7Å; T146-P205 HydrophobicContact CG2-CB 4.07Å; T146-V206 WeakPolarHBondContact CB-O 3.47Å; T146-V206 PolarHBondContact OG1-O 3.22Å |
| 147 | V | 93.8 | Very high | 81.1 | Confident | 21 Ų | 21 | 52.2 Ų | 52.2 | 13% | 0.127 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.7 | 131.4 | -174 | -179.2 | 0 | 0 | 0 | 0 | 111.6 | G160 V206 E207 L209 | V147-G160 PolarHBondContact O-N 2.86Å; V147-V206 WeakPolarHBondContact CG2-O 3.18Å; V147-E207 WeakPolarHBondContact CG2-O 3.35Å; V147-L209 HydrophobicContact CB-CD1 4.41Å; V147-L209 HydrophobicContact CB-CG 4.5Å; V147-L209 HydrophobicContact CG1-CB 3.94Å; V147-L209 HydrophobicContact CG1-CD1 4.3Å; V147-L209 HydrophobicContact CG1-CG 4.22Å |
| 148 | L | 95.1 | Very high | 83 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 132.4 | 163.4 | -63.2 | -179.2 | 0 | 0 | 0 | 110.5 | H82 L93 I99 V145 L157 V159 | H82-L148 PolarHBondContact CE1-O 3.46Å; L93-L148 HydrophobicContact CB-CD1 4.03Å; I99-L148 HydrophobicContact CD1-CD2 3.86Å; V145-L148 HydrophobicContact CG1-CD2 3.86Å; V145-L148 HydrophobicContact CG1-CG 4.18Å; L148-L157 HydrophobicContact CB-CD1 4.22Å; L148-L157 HydrophobicContact CD2-CD1 4.36Å; L148-L157 HydrophobicContact CD2-CD2 4.16Å; L148-L157 HydrophobicContact CD2-CG 4.33Å; L148-V159 HydrophobicContact CD2-CB 4.19Å; L148-V159 HydrophobicContact CD2-CG1 3.82Å; L148-V159 HydrophobicContact CD2-CG2 3.75Å |
| 149 | L | 93.9 | Very high | 85.4 | Confident | 23 Ų | 23 | 38 Ų | 38 | 12% | 0.12 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 114.1 | 169.5 | 165 | 70.3 | 0 | 0 | 0 | 109 | L151 C158 L209 I219 | L149-L151 HydrophobicContact CD2-CD2 4.02Å; L149-L151 HydrophobicContact CG-CD2 4.3Å; L149-C158 HydrophobicContact CB-CB 4.09Å; L149-C158 HydrophobicContact CD2-CB 4.31Å; L149-C158 HydrophobicContact CG-CB 4.42Å; L149-C158 PolarHBondContact N-O 3.41Å; L149-C158 PolarHBondContact O-N 2.97Å; L149-L209 HydrophobicContact CB-CB 3.74Å; L149-L209 HydrophobicContact CB-CD1 4.48Å; L149-L209 HydrophobicContact CD2-CB 3.94Å; L149-L209 HydrophobicContact CG-CB 4.44Å; L149-I219 HydrophobicContact CD2-CG2 4.19Å |
| 150 | L | 91.6 | Very high | 87.4 | Confident | 28 Ų | 28 | 34.3 Ų | 34.3 | 15% | 0.147 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 126 | 165.9 | -177.4 | 69.2 | 0 | 0 | 0 | 109.5 | F83 L84 L171 | F83-L150 VanDerWaalsContact O-CD2 3.3Å; F83-L150 WeakPolarHBondContact O-CD2 3.49Å; L84-L150 HydrophobicContact CB-CD2 4.25Å; L84-L150 HydrophobicContact CD1-CD2 4.23Å; L84-L150 HydrophobicContact CG-CD1 4.25Å; L84-L150 HydrophobicContact CG-CD2 3.85Å; L150-L171 HydrophobicContact CD1-CD1 3.26Å |
| 151 | L | 90.1 | Very high | 89.1 | Confident | 10 Ų | 10 | 30.2 Ų | 30.2 | 5% | 0.052 | 17% | 0.173 | C | C | . | . | trans | -73.6 | 151.9 | 172.2 | -62.1 | -172.7 | 0 | 0 | 0 | 111.2 | L149 S153 C154 L156 E211 I219 L233 | L149-L151 HydrophobicContact CD2-CD2 4.02Å; L149-L151 HydrophobicContact CG-CD2 4.3Å; L151-S153 PolarHBondContact O-N 3.13Å; L151-C154 WeakPolarHBondContact O-CA 3.47Å; L151-C154 PolarHBondContact O-N 2.74Å; L151-L156 HydrophobicContact CD1-CB 3.98Å; L151-L156 HydrophobicContact CD1-CD1 4.44Å; L151-L156 HydrophobicContact CG-CB 4.41Å; L151-L156 PolarHBondContact N-O 3.03Å; L151-E211 HydrophobicContact CD2-CB 4.12Å; L151-E211 HydrophobicContact CD2-CG 4.29Å; L151-I219 HydrophobicContact CD2-CG2 3.92Å; L151-L233 HydrophobicContact CD1-CD1 3.93Å | ||
| 152 | K | 84.7 | Confident | 90.1 | Very high | 130 Ų | 130 | 31.5 Ų | 31.5 | 57% | 0.565 | 17% | 0.173 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -24.3 | -175 | -73.3 | 178.3 | 179.7 | -158 | 0 | 114.7 | C154 E211 P213 | K152-C154 PolarHBondContact O-N 2.86Å; K152-E211 WeakPolarHBondContact CB-OE2 3.43Å; K152-E211 VanDerWaalsContact CG-OE2 3.3Å; K152-E211 WeakPolarHBondContact CG-OE2 3.47Å; K152-E211 PolarHBondContact N-OE2 2.81Å; K152-P213 PolarHBondContact NZ-O 3.14Å |
| 153 | S | 84 | Confident | 90.5 | Very high | 69 Ų | 69 | 30.3 Ų | 30.3 | 48% | 0.483 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -18.1 | 174.3 | 81.9 | 0 | 0 | 0 | 0 | 113.3 | L151 D155 | L151-S153 PolarHBondContact O-N 3.13Å; S153-D155 WeakPolarHBondContact CB-OD2 3.46Å; S153-D155 PolarHBondContact O-N 3.07Å; S153-D155 PolarHBondContact OG-N 2.87Å; S153-D155 PolarHBondContact OG-OD2 2.86Å |
| 154 | C | 85 | Confident | 90.6 | Very high | 14 Ų | 14 | 29.8 Ų | 29.8 | 10% | 0.095 | 16% | 0.163 | C | C | . | . | S | Bend | trans | 66 | 6.3 | -174 | -53.8 | 0 | 0 | 0 | 0 | 115.9 | Q87 L151 K152 | Q87-C154 VanDerWaalsContact NE2-CB 3.31Å; L151-C154 WeakPolarHBondContact O-CA 3.47Å; L151-C154 PolarHBondContact O-N 2.74Å; K152-C154 PolarHBondContact O-N 2.86Å |
| 155 | D | 87.2 | Confident | 90.6 | Very high | 90 Ų | 90 | 26.9 Ų | 26.9 | 48% | 0.481 | 15% | 0.15 | S | C | . | . | S | Bend | trans | -88.4 | -17 | 178.5 | -43.8 | -67.1 | 0 | 0 | 0 | 113.2 | S153 L171 | S153-D155 WeakPolarHBondContact CB-OD2 3.46Å; S153-D155 PolarHBondContact O-N 3.07Å; S153-D155 PolarHBondContact OG-N 2.87Å; S153-D155 PolarHBondContact OG-OD2 2.86Å; D155-L171 PolarHBondContact O-N 2.8Å |
| 156 | L | 91.2 | Very high | 90.5 | Very high | 23 Ų | 23 | 26.6 Ų | 26.6 | 12% | 0.12 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 134.1 | -172.2 | -76.5 | 169.3 | 0 | 0 | 0 | 112.2 | L151 E170 | L151-L156 HydrophobicContact CD1-CB 3.98Å; L151-L156 HydrophobicContact CD1-CD1 4.44Å; L151-L156 HydrophobicContact CG-CB 4.41Å; L151-L156 PolarHBondContact N-O 3.03Å; L156-E170 HydrophobicContact CD2-CB 4.45Å |
| 157 | L | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.1 | 173.5 | -177.5 | 68.1 | 0 | 0 | 0 | 109 | L91 I99 L148 V159 F168 V169 L171 | L91-L157 HydrophobicContact CD1-CD1 3.73Å; L91-L157 HydrophobicContact CD1-CD2 3.85Å; L91-L157 HydrophobicContact CD1-CG 4.32Å; I99-L157 HydrophobicContact CD1-CD2 4.35Å; I99-L157 HydrophobicContact CG2-CD2 4.37Å; L148-L157 HydrophobicContact CB-CD1 4.22Å; L148-L157 HydrophobicContact CD2-CD1 4.36Å; L148-L157 HydrophobicContact CD2-CD2 4.16Å; L148-L157 HydrophobicContact CD2-CG 4.33Å; L157-V159 HydrophobicContact CD2-CG2 4.11Å; L157-V159 HydrophobicContact CG-CG2 3.98Å; L157-F168 WeakPolarHBondContact O-CA 3.37Å; L157-V169 HydrophobicContact CB-CB 4.31Å; L157-V169 PolarHBondContact N-O 3.17Å; L157-V169 PolarHBondContact O-N 3.15Å; L157-L171 HydrophobicContact CB-CD1 4.14Å; L157-L171 HydrophobicContact CB-CG 4.31Å |
| 158 | C | 93.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 26.1 Ų | 26.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | 130 | 170.3 | -58.3 | 0 | 0 | 0 | 0 | 108.9 | L149 V166 Y167 F168 L209 | L149-C158 HydrophobicContact CB-CB 4.09Å; L149-C158 HydrophobicContact CD2-CB 4.31Å; L149-C158 HydrophobicContact CG-CB 4.42Å; L149-C158 PolarHBondContact N-O 3.41Å; L149-C158 PolarHBondContact O-N 2.97Å; C158-V166 HydrophobicContact CB-CG1 4.3Å; C158-Y167 WeakPolarHBondContact CA-O 3.49Å; C158-F168 HydrophobicContact CB-CE1 4.44Å; C158-F168 WeakPolarHBondContact SG-CE1 3.27Å; C158-L209 HydrophobicContact CB-CD1 4.3Å |
| 159 | V | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 107.7 | -174.7 | -172.5 | 0 | 0 | 0 | 0 | 109.4 | I99 L131 V145 L148 L157 V166 Y167 V169 | I99-V159 HydrophobicContact CD1-CG1 4.49Å; I99-V159 HydrophobicContact CD1-CG2 4.33Å; L131-V159 HydrophobicContact CD1-CB 4.36Å; L131-V159 HydrophobicContact CD1-CG1 3.54Å; V145-V159 HydrophobicContact CB-CG1 4.25Å; V145-V159 HydrophobicContact CG1-CG1 3.69Å; V145-V159 HydrophobicContact CG2-CG1 3.53Å; L148-V159 HydrophobicContact CD2-CB 4.19Å; L148-V159 HydrophobicContact CD2-CG1 3.82Å; L148-V159 HydrophobicContact CD2-CG2 3.75Å; L157-V159 HydrophobicContact CD2-CG2 4.11Å; L157-V159 HydrophobicContact CG-CG2 3.98Å; V159-V166 WeakPolarHBondContact O-CA 3.26Å; V159-Y167 PolarHBondContact N-O 3.01Å; V159-Y167 PolarHBondContact O-N 3.46Å; V159-V169 HydrophobicContact CG2-CG2 4.16Å |
| 160 | G | 93.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 143.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V145 T146 V147 G165 | V145-G160 WeakPolarHBondContact CA-O 3.25Å; T146-G160 PolarHBondContact N-O 2.86Å; T146-G160 PolarHBondContact OG1-O 3.24Å; V147-G160 PolarHBondContact O-N 2.86Å; G160-G165 WeakPolarHBondContact CA-O 3.4Å |
| 161 | T | 92.8 | Very high | 90 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 164.4 | 179.1 | 72.5 | 0 | 0 | 0 | 0 | 114 | L131 A142 H144 G163 G164 G165 Y167 V206 | L131-T161 HydrophobicContact CD1-CG2 3.87Å; A142-T161 WeakPolarHBondContact O-CB 3.37Å; A142-T161 PolarHBondContact O-OG1 3.42Å; H144-T161 CarbonylContact O-C 3.48Å; H144-T161 WeakPolarHBondContact O-CA 3.47Å; H144-T161 WeakPolarHBondContact O-CB 3.41Å; T161-G163 PolarHBondContact O-N 3.13Å; T161-G164 PolarHBondContact O-N 3.36Å; T161-G164 VanDerWaalsContact O-N 3.1Å; T161-G165 PolarHBondContact N-O 3.25Å; T161-Y167 HydrophobicContact CG2-CD2 3.81Å; T161-Y167 HydrophobicContact CG2-CE2 3.63Å; T161-V206 PolarHBondContact O-N 3.16Å |
| 162 | E | 90 | Very high | 89.7 | Confident | 85 Ų | 85 | 29 Ų | 29 | 40% | 0.397 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -30.4 | 175 | -63 | -171.6 | 154.2 | 0 | 0 | 113.1 | S141 H144 T146 G164 P205 | S141-E162 WeakPolarHBondContact CB-OE2 3.18Å; S141-E162 WeakPolarHBondContact O-CB 3.4Å; H144-E162 HydrophobicContact CB-CG 4.08Å; H144-E162 IonicContact CD2-OE1 2.73Å; H144-E162 PolarHBondContact O-N 2.94Å; T146-E162 HydrophobicContact CG2-CB 4.46Å; T146-E162 HydrophobicContact CG2-CG 3.7Å; E162-G164 PolarHBondContact O-N 3.04Å; E162-G164 VanDerWaalsContact O-N 3.08Å; E162-P205 WeakPolarHBondContact O-CA 3.26Å |
| 163 | G | 85.6 | Confident | 89.7 | Confident | 28 Ų | 28 | 30.8 Ų | 30.8 | 29% | 0.289 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 13.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | A142 T161 G165 Q184 | A142-G163 WeakPolarHBondContact O-CA 3.3Å; A142-G163 PolarHBondContact O-N 2.87Å; T161-G163 PolarHBondContact O-N 3.13Å; G163-G165 PolarHBondContact O-N 2.96Å; G163-Q184 PolarHBondContact O-OE1 3.23Å |
| 164 | G | 86.5 | Confident | 90 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | S | Bend | trans | 68.1 | 15.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T161 E162 Y223 | T161-G164 PolarHBondContact O-N 3.36Å; T161-G164 VanDerWaalsContact O-N 3.1Å; E162-G164 PolarHBondContact O-N 3.04Å; E162-G164 VanDerWaalsContact O-N 3.08Å; G164-Y223 WeakPolarHBondContact O-CE1 3.27Å |
| 165 | G | 88.7 | Confident | 90.2 | Very high | 3 Ų | 3 | 31.6 Ų | 31.6 | 3% | 0.031 | 16% | 0.156 | C | C | . | . | trans | -96.4 | 152.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | G160 T161 G163 L182 | G160-G165 WeakPolarHBondContact CA-O 3.4Å; T161-G165 PolarHBondContact N-O 3.25Å; G163-G165 PolarHBondContact O-N 2.96Å; G165-L182 WeakPolarHBondContact CA-O 3.45Å | ||
| 166 | V | 91.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 114.9 | 169.5 | -174.1 | 0 | 0 | 0 | 0 | 109.3 | C158 V159 F168 L182 V206 L209 I221 | C158-V166 HydrophobicContact CB-CG1 4.3Å; V159-V166 WeakPolarHBondContact O-CA 3.26Å; V166-F168 HydrophobicContact CG1-CE2 4.17Å; V166-F168 HydrophobicContact CG1-CZ 4.09Å; V166-L182 HydrophobicContact CB-CB 4.36Å; V166-L182 PolarHBondContact N-O 3.48Å; V166-L182 PolarHBondContact O-N 3.39Å; V166-V206 HydrophobicContact CG2-CG2 4.27Å; V166-L209 HydrophobicContact CG1-CD1 4.18Å; V166-L209 HydrophobicContact CG1-CD2 4.35Å; V166-L209 HydrophobicContact CG2-CD2 3.94Å; V166-I221 HydrophobicContact CG2-CD1 4.26Å; V166-I221 HydrophobicContact CG2-CG2 4.18Å |
| 167 | Y | 91.5 | Very high | 90.1 | Very high | 36 Ų | 36 | 32 Ų | 32 | 14% | 0.141 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 156.8 | 178.2 | -59.1 | -97 | 0 | 0 | 0 | 110.1 | L131 C158 V159 T161 L176 T181 | L131-Y167 HydrophobicContact CD1-CD2 4.21Å; L131-Y167 HydrophobicContact CD2-CD1 3.78Å; L131-Y167 HydrophobicContact CD2-CD2 3.97Å; L131-Y167 HydrophobicContact CD2-CE1 4.21Å; L131-Y167 HydrophobicContact CD2-CE2 4.4Å; L131-Y167 HydrophobicContact CD2-CG 3.66Å; C158-Y167 WeakPolarHBondContact CA-O 3.49Å; V159-Y167 PolarHBondContact N-O 3.01Å; V159-Y167 PolarHBondContact O-N 3.46Å; T161-Y167 HydrophobicContact CG2-CD2 3.81Å; T161-Y167 HydrophobicContact CG2-CE2 3.63Å; Y167-L176 HydrophobicContact CD1-CD1 4.34Å; Y167-T181 HydrophobicContact CD1-CG2 3.42Å; Y167-T181 VanDerWaalsContact CD1-CG2 3.42Å; Y167-T181 HydrophobicContact CE1-CG2 3.65Å; Y167-T181 HydrophobicContact CG-CG2 4.05Å |
| 168 | F | 92 | Very high | 89.5 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 119.3 | -178.6 | -64.1 | -95.5 | 0 | 0 | 0 | 109.6 | L157 C158 V166 R177 Q180 L182 I219 L233 | L157-F168 WeakPolarHBondContact O-CA 3.37Å; C158-F168 HydrophobicContact CB-CE1 4.44Å; C158-F168 WeakPolarHBondContact SG-CE1 3.27Å; V166-F168 HydrophobicContact CG1-CE2 4.17Å; V166-F168 HydrophobicContact CG1-CZ 4.09Å; F168-R177 HydrophobicContact CB-CB 4.36Å; F168-R177 PolarHBondContact O-N 2.93Å; F168-Q180 HydrophobicContact CB-CB 4.35Å; F168-Q180 HydrophobicContact CD2-CB 4.05Å; F168-Q180 WeakPolarHBondContact CD2-O 3.33Å; F168-Q180 WeakPolarHBondContact CE2-O 3.42Å; F168-Q180 HydrophobicContact CG-CB 4.24Å; F168-L182 HydrophobicContact CE2-CD1 4.05Å; F168-L182 HydrophobicContact CE2-CG 3.99Å; F168-L182 HydrophobicContact CZ-CD1 4.03Å; F168-L182 HydrophobicContact CZ-CG 4.46Å; F168-I219 HydrophobicContact CZ-CD1 4.21Å; F168-L233 HydrophobicContact CE1-CD1 4.18Å; F168-L233 HydrophobicContact CE1-CD2 3.54Å; F168-L233 HydrophobicContact CZ-CD2 3.48Å; F168-L233 VanDerWaalsContact CZ-CD2 3.48Å |
| 169 | V | 92.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 131.3 | -177.3 | 177.2 | 0 | 0 | 0 | 0 | 109.3 | Y129 L157 V159 L174 E175 L176 | Y129-V169 HydrophobicContact CE1-CG2 3.98Å; L157-V169 HydrophobicContact CB-CB 4.31Å; L157-V169 PolarHBondContact N-O 3.17Å; L157-V169 PolarHBondContact O-N 3.15Å; V159-V169 HydrophobicContact CG2-CG2 4.16Å; V169-L174 HydrophobicContact CG1-CB 4.22Å; V169-L174 HydrophobicContact CG1-CD2 4.27Å; V169-E175 CarbonylContact C-O 3.5Å; V169-E175 WeakPolarHBondContact CA-O 3.49Å; V169-L176 HydrophobicContact CG2-CD1 4.1Å |
| 170 | E | 91.9 | Very high | 88.1 | Confident | 61 Ų | 61 | 46.9 Ų | 46.9 | 29% | 0.285 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 130.6 | -176.2 | 179.3 | 159.6 | -168.6 | 0 | 0 | 112.1 | L156 R173 L174 E175 R177 | L156-E170 HydrophobicContact CD2-CB 4.45Å; E170-R173 PolarHBondContact O-N 2.93Å; E170-L174 WeakPolarHBondContact O-CA 3.36Å; E170-L174 PolarHBondContact O-N 2.88Å; E170-E175 HydrophobicContact CB-CB 4.46Å; E170-E175 PolarHBondContact N-O 2.86Å; E170-E175 PolarHBondContact O-N 2.84Å; E170-R177 IonicContact OE1-CZ 2.72Å; E170-R177 IonicContact OE1-NH2 2.77Å; E170-R177 PolarHBondContact OE1-NH2 3.39Å; E170-R177 IonicContact OE2-CZ 3.19Å; E170-R177 IonicContact OE2-NE 3.39Å; E170-R177 PolarHBondContact OE2-NE 2.86Å; E170-R177 IonicContact OE2-NH2 3.58Å; E170-R177 PolarHBondContact OE2-NH2 3.36Å |
| 171 | L | 88.9 | Confident | 87.6 | Confident | 12 Ų | 12 | 47.5 Ų | 47.5 | 6% | 0.063 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | 146.8 | -177.7 | -64.2 | 173.6 | 0 | 0 | 0 | 110.8 | L84 L91 L150 D155 L157 L174 | L84-L171 HydrophobicContact CD2-CD1 4.29Å; L91-L171 HydrophobicContact CD1-CD1 4.23Å; L91-L171 HydrophobicContact CD1-CD2 4.21Å; L91-L171 HydrophobicContact CD2-CD2 4.16Å; L150-L171 HydrophobicContact CD1-CD1 3.26Å; D155-L171 PolarHBondContact O-N 2.8Å; L157-L171 HydrophobicContact CB-CD1 4.14Å; L157-L171 HydrophobicContact CB-CG 4.31Å; L171-L174 HydrophobicContact CD2-CD2 3.82Å |
| 172 | P | 83.3 | Confident | 87.2 | Confident | 53 Ų | 53 | 47.5 Ų | 47.5 | 34% | 0.344 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -86.5 | 5 | 2.2 | 36 | -37.2 | 0 | 0 | 0 | 114.3 | L101 | L101-P172 HydrophobicContact CD2-CB 3.94Å; L101-P172 WeakPolarHBondContact CD2-O 3.49Å |
| 173 | R | 86.3 | Confident | 86.8 | Confident | 169 Ų | 169 | 46 Ų | 46 | 64% | 0.638 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -10.5 | -167.4 | -60.2 | -171 | -176.5 | 178.1 | 2.3 | 116.1 | E170 E175 | E170-R173 PolarHBondContact O-N 2.93Å; R173-E175 VanDerWaalsContact C-N 3.26Å; R173-E175 HydrophobicContact CB-CG 3.92Å; R173-E175 WeakPolarHBondContact CD-OE1 3.38Å; R173-E175 IonicContact CZ-OE1 2.73Å; R173-E175 IonicContact NE-OE1 3.96Å; R173-E175 IonicContact NH1-OE1 3.19Å; R173-E175 PolarHBondContact NH1-OE1 2.83Å; R173-E175 PolarHBondContact O-N 2.97Å |
| 174 | L | 89.1 | Confident | 86.3 | Confident | 7 Ų | 7 | 46.5 Ų | 46.5 | 4% | 0.037 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 32.7 | -174.2 | -52 | 172.9 | 0 | 0 | 0 | 113.8 | L91 L101 D127 Y129 V169 E170 L171 | L91-L174 HydrophobicContact CD2-CD2 4.13Å; L101-L174 HydrophobicContact CB-CD1 4.2Å; D127-L174 HydrophobicContact CB-CD1 4.13Å; Y129-L174 HydrophobicContact CD2-CB 4.44Å; Y129-L174 VanDerWaalsContact CD2-O 3.27Å; Y129-L174 WeakPolarHBondContact CD2-O 3.08Å; Y129-L174 HydrophobicContact CG-CB 4.17Å; V169-L174 HydrophobicContact CG1-CB 4.22Å; V169-L174 HydrophobicContact CG1-CD2 4.27Å; E170-L174 WeakPolarHBondContact O-CA 3.36Å; E170-L174 PolarHBondContact O-N 2.88Å; L171-L174 HydrophobicContact CD2-CD2 3.82Å |
| 175 | E | 89.6 | Confident | 85.7 | Confident | 92 Ų | 92 | 50.4 Ų | 50.4 | 43% | 0.43 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 131.9 | 177.8 | -68.1 | -179.2 | -141.4 | 0 | 0 | 111.3 | V169 E170 R173 | V169-E175 CarbonylContact C-O 3.5Å; V169-E175 WeakPolarHBondContact CA-O 3.49Å; E170-E175 HydrophobicContact CB-CB 4.46Å; E170-E175 PolarHBondContact N-O 2.86Å; E170-E175 PolarHBondContact O-N 2.84Å; R173-E175 VanDerWaalsContact C-N 3.26Å; R173-E175 HydrophobicContact CB-CG 3.92Å; R173-E175 WeakPolarHBondContact CD-OE1 3.38Å; R173-E175 IonicContact CZ-OE1 2.73Å; R173-E175 IonicContact NE-OE1 3.96Å; R173-E175 IonicContact NH1-OE1 3.19Å; R173-E175 PolarHBondContact NH1-OE1 2.83Å; R173-E175 PolarHBondContact O-N 2.97Å |
| 176 | L | 89.6 | Confident | 84.9 | Confident | 46 Ų | 46 | 53.7 Ų | 53.7 | 24% | 0.241 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 123.5 | -178.1 | -179.3 | 66.5 | 0 | 0 | 0 | 112.6 | P132 Y167 V169 E178 | P132-L176 HydrophobicContact CG-CD2 4.38Å; Y167-L176 HydrophobicContact CD1-CD1 4.34Å; V169-L176 HydrophobicContact CG2-CD1 4.1Å; L176-E178 HydrophobicContact CD2-CG 4.02Å; L176-E178 HydrophobicContact CG-CG 4.22Å; L176-E178 PolarHBondContact O-N 3.38Å |
| 177 | R | 87.5 | Confident | 83.9 | Confident | 77 Ų | 77 | 54.1 Ų | 54.1 | 29% | 0.291 | 26% | 0.263 | S | S | . | . | trans | -88.4 | 75 | 172.2 | -66.5 | -169.5 | 174 | -178.5 | -1.5 | 111.6 | F168 E170 S179 Q180 T181 | F168-R177 HydrophobicContact CB-CB 4.36Å; F168-R177 PolarHBondContact O-N 2.93Å; E170-R177 IonicContact OE1-CZ 2.72Å; E170-R177 IonicContact OE1-NH2 2.77Å; E170-R177 PolarHBondContact OE1-NH2 3.39Å; E170-R177 IonicContact OE2-CZ 3.19Å; E170-R177 IonicContact OE2-NE 3.39Å; E170-R177 PolarHBondContact OE2-NE 2.86Å; E170-R177 IonicContact OE2-NH2 3.58Å; E170-R177 PolarHBondContact OE2-NH2 3.36Å; R177-S179 PolarHBondContact O-N 2.65Å; R177-S179 VanDerWaalsContact O-N 3.15Å; R177-Q180 HydrophobicContact CB-CB 4.34Å; R177-Q180 HydrophobicContact CB-CG 4.44Å; R177-Q180 PolarHBondContact O-N 3.45Å; R177-T181 PolarHBondContact O-N 2.84Å; R177-T181 PolarHBondContact O-OG1 3.3Å | ||
| 178 | E | 80.2 | Confident | 82.7 | Confident | 152 Ų | 152 | 53.6 Ų | 53.6 | 71% | 0.71 | 26% | 0.264 | S | S | * | . | G | 310 helix | trans | -47.4 | -44 | 177.2 | -63.8 | -172.2 | 158.4 | 0 | 0 | 112.7 | L176 Q180 T181 | L176-E178 HydrophobicContact CD2-CG 4.02Å; L176-E178 HydrophobicContact CG-CG 4.22Å; L176-E178 PolarHBondContact O-N 3.38Å; E178-Q180 PolarHBondContact O-N 3.5Å; E178-Q180 VanDerWaalsContact O-N 3.15Å; E178-T181 VanDerWaalsContact O-CB 3.31Å; E178-T181 WeakPolarHBondContact O-CB 3.4Å; E178-T181 PolarHBondContact O-N 3.33Å; E178-T181 VanDerWaalsContact O-N 3.1Å; E178-T181 PolarHBondContact O-OG1 3.32Å |
| 179 | S | 76.9 | Confident | 81.1 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -60.8 | -25.4 | -178.2 | 63.2 | 0 | 0 | 0 | 0 | 114.3 | R177 R236 | R177-S179 PolarHBondContact O-N 2.65Å; R177-S179 VanDerWaalsContact O-N 3.15Å; S179-R236 PolarHBondContact O-NH1 3.39Å; S179-R236 PolarHBondContact O-NH2 2.73Å |
| 180 | Q | 80.6 | Confident | 79.4 | Confident | 68 Ų | 68 | 65 Ų | 65 | 32% | 0.318 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -94.5 | -16.1 | 179.3 | -64.6 | -171.5 | -47.4 | 0 | 0 | 113.2 | F168 R177 E178 L182 R236 | F168-Q180 HydrophobicContact CB-CB 4.35Å; F168-Q180 HydrophobicContact CD2-CB 4.05Å; F168-Q180 WeakPolarHBondContact CD2-O 3.33Å; F168-Q180 WeakPolarHBondContact CE2-O 3.42Å; F168-Q180 HydrophobicContact CG-CB 4.24Å; R177-Q180 HydrophobicContact CB-CB 4.34Å; R177-Q180 HydrophobicContact CB-CG 4.44Å; R177-Q180 PolarHBondContact O-N 3.45Å; E178-Q180 PolarHBondContact O-N 3.5Å; E178-Q180 VanDerWaalsContact O-N 3.15Å; Q180-L182 PolarHBondContact O-N 3.49Å; Q180-R236 PolarHBondContact O-NH2 2.89Å |
| 181 | T | 85.1 | Confident | 77.4 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 8% | 0.08 | 34% | 0.34 | C | S | . | . | trans | -54.5 | 134.6 | -176.3 | -64 | 0 | 0 | 0 | 0 | 112.5 | Y167 R177 E178 L183 R236 | Y167-T181 HydrophobicContact CD1-CG2 3.42Å; Y167-T181 VanDerWaalsContact CD1-CG2 3.42Å; Y167-T181 HydrophobicContact CE1-CG2 3.65Å; Y167-T181 HydrophobicContact CG-CG2 4.05Å; R177-T181 PolarHBondContact O-N 2.84Å; R177-T181 PolarHBondContact O-OG1 3.3Å; E178-T181 VanDerWaalsContact O-CB 3.31Å; E178-T181 WeakPolarHBondContact O-CB 3.4Å; E178-T181 PolarHBondContact O-N 3.33Å; E178-T181 VanDerWaalsContact O-N 3.1Å; E178-T181 PolarHBondContact O-OG1 3.32Å; T181-L183 HydrophobicContact CG2-CD2 4.14Å; T181-L183 HydrophobicContact CG2-CG 4.48Å; T181-R236 PolarHBondContact O-NH2 2.83Å | ||
| 182 | L | 83.6 | Confident | 75.8 | Confident | 1 Ų | 1 | 72.8 Ų | 72.8 | 1% | 0.005 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -107.3 | 97.8 | 179.6 | -62.2 | 172.2 | 0 | 0 | 0 | 109.1 | G165 V166 F168 Q180 I221 W231 | G165-L182 WeakPolarHBondContact CA-O 3.45Å; V166-L182 HydrophobicContact CB-CB 4.36Å; V166-L182 PolarHBondContact N-O 3.48Å; V166-L182 PolarHBondContact O-N 3.39Å; F168-L182 HydrophobicContact CE2-CD1 4.05Å; F168-L182 HydrophobicContact CE2-CG 3.99Å; F168-L182 HydrophobicContact CZ-CD1 4.03Å; F168-L182 HydrophobicContact CZ-CG 4.46Å; Q180-L182 PolarHBondContact O-N 3.49Å; L182-I221 HydrophobicContact CD1-CD1 4.27Å; L182-W231 HydrophobicContact CD1-CD2 4.22Å; L182-W231 HydrophobicContact CD1-CG 4.24Å; L182-W231 HydrophobicContact CD1-CZ2 4.38Å; L182-W231 HydrophobicContact CD2-CH2 4.11Å; L182-W231 HydrophobicContact CD2-CZ2 3.39Å |
| 183 | L | 82.1 | Confident | 75 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 28% | 0.277 | 34% | 0.34 | S | S | . | . | trans | -76.2 | 148.6 | 170.7 | -60.7 | 178.3 | 0 | 0 | 0 | 110.4 | T181 D185 Q186 | T181-L183 HydrophobicContact CG2-CD2 4.14Å; T181-L183 HydrophobicContact CG2-CG 4.48Å; L183-D185 PolarHBondContact O-N 3.23Å; L183-D185 VanDerWaalsContact O-N 3.08Å; L183-Q186 WeakPolarHBondContact O-CB 3.26Å; L183-Q186 PolarHBondContact O-N 3.03Å | ||
| 184 | Q | 75.4 | Confident | 74 | Confident | 39 Ų | 39 | 64 Ų | 64 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -49.4 | -37.6 | 178 | -165.5 | -162.4 | -34.3 | 0 | 0 | 112.8 | G163 Q186 V187 T188 S202 L203 | G163-Q184 PolarHBondContact O-OE1 3.23Å; Q184-Q186 VanDerWaalsContact C-N 3.34Å; Q184-Q186 PolarHBondContact O-N 3.05Å; Q184-V187 PolarHBondContact O-N 2.83Å; Q184-T188 HydrophobicContact CG-CG2 4.42Å; Q184-T188 WeakPolarHBondContact O-CG2 3.46Å; Q184-T188 PolarHBondContact O-N 3.47Å; Q184-T188 PolarHBondContact O-OG1 2.94Å; Q184-S202 PolarHBondContact NE2-OG 2.85Å; Q184-S202 PolarHBondContact OE1-OG 3.08Å; Q184-L203 HydrophobicContact CG-CB 4.47Å; Q184-L203 HydrophobicContact CG-CD1 3.96Å; Q184-L203 HydrophobicContact CG-CG 4.19Å; Q184-L203 VanDerWaalsContact NE2-N 3.2Å |
| 185 | D | 72.3 | Confident | 72.8 | Confident | 82 Ų | 82 | 69 Ų | 69 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.9 | -39.4 | 174.3 | -73.2 | -50.3 | 0 | 0 | 0 | 113.5 | L183 V187 T188 Q189 | L183-D185 PolarHBondContact O-N 3.23Å; L183-D185 VanDerWaalsContact O-N 3.08Å; D185-V187 VanDerWaalsContact C-N 3.26Å; D185-V187 PolarHBondContact O-N 2.95Å; D185-T188 WeakPolarHBondContact CA-OG1 3.49Å; D185-T188 PolarHBondContact O-N 2.8Å; D185-T188 PolarHBondContact O-OG1 2.92Å; D185-Q189 WeakPolarHBondContact O-CB 3.23Å; D185-Q189 WeakPolarHBondContact O-CG 3.27Å; D185-Q189 PolarHBondContact O-N 2.88Å |
| 186 | Q | 73.1 | Confident | 71.6 | Confident | 72 Ų | 72 | 71.5 Ų | 71.5 | 34% | 0.336 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.3 | -24.5 | -179.8 | -61.5 | -177.7 | 16.8 | 0 | 0 | 112.7 | L183 Q184 R190 | L183-Q186 WeakPolarHBondContact O-CB 3.26Å; L183-Q186 PolarHBondContact O-N 3.03Å; Q184-Q186 VanDerWaalsContact C-N 3.34Å; Q184-Q186 PolarHBondContact O-N 3.05Å; Q186-R190 WeakPolarHBondContact O-CD 3.17Å; Q186-R190 WeakPolarHBondContact O-CG 3.19Å |
| 187 | V | 71.5 | Confident | 70.5 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 5% | 0.048 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -80.7 | -46.9 | 173.7 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | Q184 D185 L193 Y223 V229 | Q184-V187 PolarHBondContact O-N 2.83Å; D185-V187 VanDerWaalsContact C-N 3.26Å; D185-V187 PolarHBondContact O-N 2.95Å; V187-L193 HydrophobicContact CG1-CD1 4.5Å; V187-L193 VanDerWaalsContact O-CD1 3.23Å; V187-L193 WeakPolarHBondContact O-CD1 3.34Å; V187-Y223 HydrophobicContact CG1-CE2 4.5Å; V187-V229 HydrophobicContact CG1-CG2 4.28Å |
| 188 | T | 65.8 | Low | 69.3 | Low | 26 Ų | 26 | 72 Ų | 72 | 16% | 0.16 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -74 | -33.3 | -175.9 | 52.8 | 0 | 0 | 0 | 0 | 115.2 | Q184 D185 R190 L203 | Q184-T188 HydrophobicContact CG-CG2 4.42Å; Q184-T188 WeakPolarHBondContact O-CG2 3.46Å; Q184-T188 PolarHBondContact O-N 3.47Å; Q184-T188 PolarHBondContact O-OG1 2.94Å; D185-T188 WeakPolarHBondContact CA-OG1 3.49Å; D185-T188 PolarHBondContact O-N 2.8Å; D185-T188 PolarHBondContact O-OG1 2.92Å; T188-R190 VanDerWaalsContact C-N 3.33Å; T188-R190 PolarHBondContact O-N 2.78Å; T188-L203 HydrophobicContact CG2-CD1 3.78Å; T188-L203 HydrophobicContact CG2-CD2 4.29Å; T188-L203 HydrophobicContact CG2-CG 3.99Å |
| 189 | Q | 57.5 | Low | 68.1 | Low | 148 Ų | 148 | 69.3 Ų | 69.3 | 69% | 0.692 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -8 | -175.3 | -67 | 174.3 | 14.6 | 0 | 0 | 114.3 | D185 | D185-Q189 WeakPolarHBondContact O-CB 3.23Å; D185-Q189 WeakPolarHBondContact O-CG 3.27Å; D185-Q189 PolarHBondContact O-N 2.88Å |
| 190 | R | 57.2 | Low | 67 | Low | 94 Ų | 94 | 68.9 Ų | 68.9 | 36% | 0.355 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -82.5 | 142.8 | 178.9 | -72.8 | -177.6 | 175.3 | -150.5 | 13.1 | 111.7 | Q186 T188 S192 R236 H237 | Q186-R190 WeakPolarHBondContact O-CD 3.17Å; Q186-R190 WeakPolarHBondContact O-CG 3.19Å; T188-R190 VanDerWaalsContact C-N 3.33Å; T188-R190 PolarHBondContact O-N 2.78Å; R190-S192 PolarHBondContact O-N 2.55Å; R190-R236 PolarHBondContact NH1-O 3.19Å; R190-R236 PolarHBondContact NH2-O 2.98Å; R190-H237 PolarHBondContact NH1-CD2 2.79Å |
| 191 | H | 49.4 | Very low | 66.2 | Low | 184 Ų | 184 | 73 Ų | 73 | 85% | 0.852 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -17.8 | -169.8 | -79.2 | -81.1 | 0 | 0 | 0 | 116.2 | L193 R198 | H191-L193 PolarHBondContact O-N 2.97Å; H191-R198 PolarHBondContact O-NH2 2.83Å |
| 192 | S | 56.2 | Low | 65.7 | Low | 53 Ų | 53 | 75.5 Ų | 75.5 | 37% | 0.371 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -22.5 | -173.5 | -42.7 | 0 | 0 | 0 | 0 | 115.4 | R190 L241 | R190-S192 PolarHBondContact O-N 2.55Å; S192-L241 VanDerWaalsContact O-CD1 3.31Å; S192-L241 WeakPolarHBondContact O-CD1 3.27Å |
| 193 | L | 66.3 | Low | 65.4 | Low | 5 Ų | 5 | 75.5 Ų | 75.5 | 3% | 0.026 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -82.6 | 137.2 | -174.2 | -86.2 | 164.9 | 0 | 0 | 0 | 113.6 | V187 H191 R198 L227 L241 | V187-L193 HydrophobicContact CG1-CD1 4.5Å; V187-L193 VanDerWaalsContact O-CD1 3.23Å; V187-L193 WeakPolarHBondContact O-CD1 3.34Å; H191-L193 PolarHBondContact O-N 2.97Å; L193-R198 VanDerWaalsContact O-CZ 3.32Å; L193-R198 PolarHBondContact O-NE 3.28Å; L193-R198 PolarHBondContact O-NH2 2.91Å; L193-L227 HydrophobicContact CD2-CD1 3.94Å; L193-L227 HydrophobicContact CD2-CD2 3.89Å; L193-L241 HydrophobicContact CD2-CD1 3.93Å; L193-L241 HydrophobicContact CD2-CD2 4.23Å; L193-L241 HydrophobicContact CG-CD1 4.11Å |
| 194 | P | 66.1 | Low | 65.6 | Low | 33 Ų | 33 | 73.7 Ų | 73.7 | 21% | 0.214 | 39% | 0.393 | C | S | . | . | trans | -64.5 | 155.8 | 174 | -20.5 | 32 | 0 | 0 | 0 | 114.3 | E196 Y197 R198 L243 | P194-E196 VanDerWaalsContact C-N 3.26Å; P194-E196 PolarHBondContact O-N 2.71Å; P194-Y197 PolarHBondContact O-N 2.87Å; P194-R198 PolarHBondContact O-N 3.36Å; P194-R198 VanDerWaalsContact O-N 3.17Å; P194-L243 HydrophobicContact CG-CD1 3.86Å; P194-L243 HydrophobicContact CG-CD2 4.45Å | ||
| 195 | D | 63 | Low | 66.4 | Low | 111 Ų | 111 | 73.6 Ų | 73.6 | 59% | 0.594 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -61.8 | -27.2 | -174.8 | -66.9 | -62.4 | 0 | 0 | 0 | 114.6 | Y197 R198 C199 | D195-Y197 PolarHBondContact O-N 3.34Å; D195-R198 PolarHBondContact O-N 3.32Å; D195-R198 VanDerWaalsContact O-N 3.15Å; D195-R198 WeakPolarHBondContact OD1-CD 3.46Å; D195-R198 IonicContact OD1-CZ 3.42Å; D195-R198 IonicContact OD1-NE 3.64Å; D195-R198 IonicContact OD1-NH1 2.69Å; D195-R198 PolarHBondContact OD1-NH1 2.81Å; D195-R198 IonicContact OD2-NH1 3.79Å; D195-C199 PolarHBondContact O-N 2.91Å |
| 196 | E | 64.1 | Low | 67.4 | Low | 145 Ų | 145 | 69.7 Ų | 69.7 | 68% | 0.678 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -59.6 | -30.4 | 174.5 | -62.1 | -175.2 | 148.6 | 0 | 0 | 113.2 | P194 R225 | P194-E196 VanDerWaalsContact C-N 3.26Å; P194-E196 PolarHBondContact O-N 2.71Å; E196-R225 PolarHBondContact O-NH2 2.94Å |
| 197 | Y | 67.3 | Low | 68.4 | Low | 18 Ų | 18 | 68.7 Ų | 68.7 | 7% | 0.071 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -97.3 | -20.4 | 176.9 | -70.2 | -90.9 | 0 | 0 | 0 | 112.4 | P194 D195 C199 L203 R225 L227 L243 G244 | P194-Y197 PolarHBondContact O-N 2.87Å; D195-Y197 PolarHBondContact O-N 3.34Å; Y197-C199 VanDerWaalsContact C-N 3.32Å; Y197-L203 HydrophobicContact CD1-CD2 4.09Å; Y197-R225 HydrophobicContact CE1-CG 4.34Å; Y197-L227 HydrophobicContact CD1-CB 4.17Å; Y197-L227 HydrophobicContact CD1-CD2 4.34Å; Y197-L227 HydrophobicContact CE1-CB 3.81Å; Y197-L243 HydrophobicContact CD2-CD2 4.24Å; Y197-L243 HydrophobicContact CE2-CD2 3.89Å; Y197-G244 PolarHBondContact OH-O 2.9Å; Y197-G244 VanDerWaalsContact OH-O 3.12Å |
| 198 | R | 61.4 | Low | 69.5 | Low | 115 Ų | 115 | 68.8 Ų | 68.8 | 43% | 0.434 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -74.1 | -18.8 | 176.7 | -160 | 177.3 | -71.9 | 166.5 | -11.1 | 113.7 | H191 L193 P194 D195 G200 | H191-R198 PolarHBondContact O-NH2 2.83Å; L193-R198 VanDerWaalsContact O-CZ 3.32Å; L193-R198 PolarHBondContact O-NE 3.28Å; L193-R198 PolarHBondContact O-NH2 2.91Å; P194-R198 PolarHBondContact O-N 3.36Å; P194-R198 VanDerWaalsContact O-N 3.17Å; D195-R198 PolarHBondContact O-N 3.32Å; D195-R198 VanDerWaalsContact O-N 3.15Å; D195-R198 WeakPolarHBondContact OD1-CD 3.46Å; D195-R198 IonicContact OD1-CZ 3.42Å; D195-R198 IonicContact OD1-NE 3.64Å; D195-R198 IonicContact OD1-NH1 2.69Å; D195-R198 PolarHBondContact OD1-NH1 2.81Å; D195-R198 IonicContact OD2-NH1 3.79Å; R198-G200 PolarHBondContact O-N 2.85Å |
| 199 | C | 55.2 | Low | 70.9 | Confident | 96 Ų | 96 | 68 Ų | 68 | 65% | 0.649 | 37% | 0.365 | S | S | * | . | S | Bend | trans | -77.2 | 52.4 | -170.6 | -163 | 0 | 0 | 0 | 0 | 115.1 | D195 Y197 K201 | D195-C199 PolarHBondContact O-N 2.91Å; Y197-C199 VanDerWaalsContact C-N 3.32Å; C199-K201 PolarHBondContact O-N 3.47Å |
| 200 | G | 54.3 | Low | 72.6 | Confident | 83 Ų | 83 | 63.1 Ų | 63.1 | 86% | 0.856 | 34% | 0.343 | S | S | * | . | S | Bend | trans | 63.9 | -10.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 118.9 | R198 | R198-G200 PolarHBondContact O-N 2.85Š|
| 201 | K | 63.7 | Low | 74.4 | Confident | 154 Ų | 154 | 59.7 Ų | 59.7 | 67% | 0.67 | 33% | 0.331 | S | S | * | . | trans | -80.3 | 142.6 | 174.5 | -67.4 | -179.4 | 179.3 | -177.8 | 0 | 110.3 | C199 | C199-K201 PolarHBondContact O-N 3.47Š| ||
| 202 | S | 74.6 | Confident | 76.4 | Confident | 65 Ų | 65 | 51.3 Ų | 51.3 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | trans | -58 | 153.2 | 176.3 | -173.4 | 0 | 0 | 0 | 0 | 112.6 | Q184 G204 | Q184-S202 PolarHBondContact NE2-OG 2.85Å; Q184-S202 PolarHBondContact OE1-OG 3.08Å; S202-G204 VanDerWaalsContact C-N 3.25Å; S202-G204 PolarHBondContact OG-N 3.09Å; S202-G204 VanDerWaalsContact OG-N 3.11Å | ||
| 203 | L | 77.4 | Confident | 78 | Confident | 1 Ų | 1 | 50.3 Ų | 50.3 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | trans | -74.7 | -18.5 | 168.6 | -61 | -179 | 0 | 0 | 0 | 112 | Q184 T188 Y197 Y223 R225 L227 | Q184-L203 HydrophobicContact CG-CB 4.47Å; Q184-L203 HydrophobicContact CG-CD1 3.96Å; Q184-L203 HydrophobicContact CG-CG 4.19Å; Q184-L203 VanDerWaalsContact NE2-N 3.2Å; T188-L203 HydrophobicContact CG2-CD1 3.78Å; T188-L203 HydrophobicContact CG2-CD2 4.29Å; T188-L203 HydrophobicContact CG2-CG 3.99Å; Y197-L203 HydrophobicContact CD1-CD2 4.09Å; L203-Y223 HydrophobicContact CB-CD1 3.73Å; L203-Y223 HydrophobicContact CB-CE1 4.34Å; L203-Y223 HydrophobicContact CB-CG 3.91Å; L203-Y223 HydrophobicContact CD1-CD1 4.07Å; L203-Y223 HydrophobicContact CD1-CD2 4.14Å; L203-Y223 HydrophobicContact CD1-CE1 3.98Å; L203-Y223 HydrophobicContact CD1-CE2 4.05Å; L203-Y223 HydrophobicContact CD1-CG 4.15Å; L203-R225 WeakPolarHBondContact O-CB 3.42Å; L203-R225 PolarHBondContact O-N 3.15Å; L203-R225 VanDerWaalsContact O-N 3.13Å; L203-L227 HydrophobicContact CD1-CD2 3.97Å; L203-L227 HydrophobicContact CD2-CD2 3.75Å; L203-L227 HydrophobicContact CG-CD2 4.48Å | ||
| 204 | G | 86.1 | Confident | 78.9 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 17% | 0.165 | 31% | 0.313 | C | S | . | . | trans | 87.6 | -176.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S202 | S202-G204 VanDerWaalsContact C-N 3.25Å; S202-G204 PolarHBondContact OG-N 3.09Å; S202-G204 VanDerWaalsContact OG-N 3.11Å | ||
| 205 | P | 91.1 | Very high | 79.9 | Confident | 36 Ų | 36 | 58.7 Ų | 58.7 | 23% | 0.234 | 32% | 0.32 | C | S | . | . | trans | -57.3 | 156.5 | 175.4 | 19.9 | -30.2 | 0 | 0 | 0 | 112.6 | T146 E162 E207 Y223 S224 | T146-P205 HydrophobicContact CG2-CB 4.07Å; E162-P205 WeakPolarHBondContact O-CA 3.26Å; P205-E207 PolarHBondContact O-N 3.24Å; P205-Y223 WeakPolarHBondContact O-CA 3.5Å; P205-S224 PolarHBondContact O-N 2.89Å | ||
| 206 | V | 94.4 | Very high | 81 | Confident | 0 Ų | 0 | 58.5 Ų | 58.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 99.9 | 167.8 | -176.9 | 0 | 0 | 0 | 0 | 108.4 | T146 V147 T161 V166 L209 I221 G222 Y223 | T146-V206 WeakPolarHBondContact CB-O 3.47Å; T146-V206 PolarHBondContact OG1-O 3.22Å; V147-V206 WeakPolarHBondContact CG2-O 3.18Å; T161-V206 PolarHBondContact O-N 3.16Å; V166-V206 HydrophobicContact CG2-CG2 4.27Å; V206-L209 HydrophobicContact CG1-CD1 4.31Å; V206-L209 HydrophobicContact CG1-CD2 3.77Å; V206-L209 HydrophobicContact CG1-CG 3.75Å; V206-I221 HydrophobicContact CG1-CG2 4.11Å; V206-G222 CarbonylContact C-O 3.51Å; V206-Y223 HydrophobicContact CG2-CD1 4.29Å; V206-Y223 HydrophobicContact CG2-CE1 3.96Å |
| 207 | E | 93.9 | Very high | 82 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 24% | 0.243 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | -22 | -176 | -49.6 | -70.5 | -154.3 | 0 | 0 | 112.4 | V147 P205 G222 S224 | V147-E207 WeakPolarHBondContact CG2-O 3.35Å; P205-E207 PolarHBondContact O-N 3.24Å; E207-G222 PolarHBondContact N-O 3.37Å; E207-S224 VanDerWaalsContact CG-CA 3.46Å; E207-S224 WeakPolarHBondContact OE1-CB 3.49Å; E207-S224 PolarHBondContact OE1-OG 2.78Å |
| 208 | S | 94.4 | Very high | 83.1 | Confident | 10 Ų | 10 | 53.9 Ų | 53.9 | 7% | 0.07 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.2 | 142.2 | 180 | -151.2 | 0 | 0 | 0 | 0 | 113.5 | G222 | S208-G222 PolarHBondContact N-O 3.21Å; S208-G222 PolarHBondContact O-N 3.4Å |
| 209 | L | 95.3 | Very high | 84.6 | Confident | 8 Ų | 8 | 48.4 Ų | 48.4 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.5 | 175.1 | -70.4 | 175.2 | 0 | 0 | 0 | 108.8 | V147 L149 C158 V166 V206 L220 I221 | V147-L209 HydrophobicContact CB-CD1 4.41Å; V147-L209 HydrophobicContact CB-CG 4.5Å; V147-L209 HydrophobicContact CG1-CB 3.94Å; V147-L209 HydrophobicContact CG1-CD1 4.3Å; V147-L209 HydrophobicContact CG1-CG 4.22Å; L149-L209 HydrophobicContact CB-CB 3.74Å; L149-L209 HydrophobicContact CB-CD1 4.48Å; L149-L209 HydrophobicContact CD2-CB 3.94Å; L149-L209 HydrophobicContact CG-CB 4.44Å; C158-L209 HydrophobicContact CB-CD1 4.3Å; V166-L209 HydrophobicContact CG1-CD1 4.18Å; V166-L209 HydrophobicContact CG1-CD2 4.35Å; V166-L209 HydrophobicContact CG2-CD2 3.94Å; V206-L209 HydrophobicContact CG1-CD1 4.31Å; V206-L209 HydrophobicContact CG1-CD2 3.77Å; V206-L209 HydrophobicContact CG1-CG 3.75Å; L209-L220 WeakPolarHBondContact CA-O 3.3Å; L209-I221 HydrophobicContact CD2-CB 4.19Å; L209-I221 HydrophobicContact CD2-CG1 3.89Å; L209-I221 HydrophobicContact CD2-CG2 3.95Å |
| 210 | Q | 94.2 | Very high | 86.5 | Confident | 47 Ų | 47 | 43.9 Ų | 43.9 | 22% | 0.22 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.2 | 134.2 | 174.8 | -61.8 | -172.7 | 1.5 | 0 | 0 | 113.3 | I219 L220 L251 W253 | Q210-I219 CarbonylContact O-C 3.52Å; Q210-I219 WeakPolarHBondContact O-CA 3.3Å; Q210-L220 PolarHBondContact N-O 2.94Å; Q210-L220 PolarHBondContact O-N 2.95Å; Q210-L251 PolarHBondContact NE2-O 3.43Å; Q210-W253 VanDerWaalsContact OE1-N 3.08Å |
| 211 | E | 93.6 | Very high | 88.4 | Confident | 21 Ų | 21 | 39.9 Ų | 39.9 | 10% | 0.098 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 140.7 | 171.3 | -169.9 | 173.9 | -162.5 | 0 | 0 | 111.3 | L151 K152 P216 G217 K218 | L151-E211 HydrophobicContact CD2-CB 4.12Å; L151-E211 HydrophobicContact CD2-CG 4.29Å; K152-E211 WeakPolarHBondContact CB-OE2 3.43Å; K152-E211 VanDerWaalsContact CG-OE2 3.3Å; K152-E211 WeakPolarHBondContact CG-OE2 3.47Å; K152-E211 PolarHBondContact N-OE2 2.81Å; E211-P216 VanDerWaalsContact OE1-CA 3.3Å; E211-P216 WeakPolarHBondContact OE1-CA 3.35Å; E211-G217 PolarHBondContact OE1-N 2.8Å; E211-K218 WeakPolarHBondContact CA-O 3.22Å; E211-K218 WeakPolarHBondContact CG-O 3.4Å |
| 212 | H | 92.2 | Very high | 89.9 | Confident | 9 Ų | 9 | 32.6 Ų | 32.6 | 4% | 0.042 | 19% | 0.185 | C | C | . | . | trans | -62.5 | 127.7 | -179.7 | -177.9 | -65.8 | 0 | 0 | 0 | 111.2 | Q214 Q215 K218 W253 G257 | H212-Q214 PolarHBondContact ND1-N 2.63Å; H212-Q214 PolarHBondContact O-N 2.73Å; H212-Q214 VanDerWaalsContact O-N 3.16Å; H212-Q215 HydrophobicContact CB-CB 4.37Å; H212-Q215 PolarHBondContact ND1-N 2.96Å; H212-Q215 VanDerWaalsContact ND1-N 3.19Å; H212-Q215 PolarHBondContact O-N 2.84Å; H212-K218 HydrophobicContact CB-CB 3.94Å; H212-K218 PolarHBondContact N-O 2.61Å; H212-W253 HydrophobicContact CB-CZ2 4.14Å; H212-W253 AromaticContact CD2-CH2 3.53Å; H212-W253 AromaticContact CD2-CZ2 3.87Å; H212-G257 PolarHBondContact NE2-O 3.06Å | ||
| 213 | P | 88.5 | Confident | 90.8 | Very high | 32 Ų | 32 | 29.5 Ų | 29.5 | 21% | 0.208 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52 | -46 | -171.4 | -31.5 | 35.7 | 0 | 0 | 0 | 115.2 | K152 W253 R255 | K152-P213 PolarHBondContact NZ-O 3.14Å; P213-W253 HydrophobicContact CG-CB 3.6Å; P213-W253 HydrophobicContact CG-CD2 4.31Å; P213-W253 HydrophobicContact CG-CG 3.89Å; P213-R255 WeakPolarHBondContact CB-O 3.35Å |
| 214 | Q | 86.2 | Confident | 91.5 | Very high | 136 Ų | 136 | 30.1 Ų | 30.1 | 64% | 0.636 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -4.4 | -174.8 | -57.3 | -172.1 | -7 | 0 | 0 | 115.6 | H212 S256 | H212-Q214 PolarHBondContact ND1-N 2.63Å; H212-Q214 PolarHBondContact O-N 2.73Å; H212-Q214 VanDerWaalsContact O-N 3.16Å; Q214-S256 PolarHBondContact NE2-O 3.5Å; Q214-S256 PolarHBondContact OE1-O 3.21Å |
| 215 | Q | 86.5 | Confident | 91.6 | Very high | 78 Ų | 78 | 33.4 Ų | 33.4 | 36% | 0.364 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -131.7 | 90.5 | -171.1 | -66.3 | -175.2 | 20.6 | 0 | 0 | 109.3 | H212 K218 | H212-Q215 HydrophobicContact CB-CB 4.37Å; H212-Q215 PolarHBondContact ND1-N 2.96Å; H212-Q215 VanDerWaalsContact ND1-N 3.19Å; H212-Q215 PolarHBondContact O-N 2.84Å; Q215-K218 HydrophobicContact CB-CD 4.39Å; Q215-K218 PolarHBondContact O-N 2.98Å; Q215-K218 VanDerWaalsContact OE1-CE 3.28Å; Q215-K218 VanDerWaalsContact OE1-NZ 3.08Å |
| 216 | P | 85.6 | Confident | 91.5 | Very high | 107 Ų | 107 | 31.8 Ų | 31.8 | 70% | 0.695 | 17% | 0.165 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 144.8 | -177.7 | 26.9 | -34.6 | 0 | 0 | 0 | 111 | E211 K218 | E211-P216 VanDerWaalsContact OE1-CA 3.3Å; E211-P216 WeakPolarHBondContact OE1-CA 3.35Å; P216-K218 VanDerWaalsContact C-N 3.35Å |
| 217 | G | 85.4 | Confident | 91.3 | Very high | 22 Ų | 22 | 31.8 Ų | 31.8 | 23% | 0.227 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.5 | -0.9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | E211 L233 | E211-G217 PolarHBondContact OE1-N 2.8Å; G217-L233 VanDerWaalsContact O-CB 3.25Å; G217-L233 WeakPolarHBondContact O-CB 3.34Å; G217-L233 VanDerWaalsContact O-CG 3.25Å; G217-L233 WeakPolarHBondContact O-CG 3.49Å; G217-L233 PolarHBondContact O-N 3.31Å |
| 218 | K | 91.4 | Very high | 91.3 | Very high | 44 Ų | 44 | 29.5 Ų | 29.5 | 19% | 0.191 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 129.8 | 165.7 | -64 | -166.2 | -177.3 | -173.6 | 0 | 110.9 | E211 H212 Q215 P216 L230 W231 D232 D239 | E211-K218 WeakPolarHBondContact CA-O 3.22Å; E211-K218 WeakPolarHBondContact CG-O 3.4Å; H212-K218 HydrophobicContact CB-CB 3.94Å; H212-K218 PolarHBondContact N-O 2.61Å; Q215-K218 HydrophobicContact CB-CD 4.39Å; Q215-K218 PolarHBondContact O-N 2.98Å; Q215-K218 VanDerWaalsContact OE1-CE 3.28Å; Q215-K218 VanDerWaalsContact OE1-NZ 3.08Å; P216-K218 VanDerWaalsContact C-N 3.35Å; K218-L230 HydrophobicContact CB-CD1 4.31Å; K218-W231 WeakPolarHBondContact CA-O 3.45Å; K218-D232 HydrophobicContact CG-CB 4.36Å; K218-D239 VanDerWaalsContact CE-OD2 3.25Å; K218-D239 WeakPolarHBondContact CE-OD2 3.29Å; K218-D239 IonicContact NZ-OD2 3.87Å; K218-D239 PolarHBondContact NZ-OD2 2.65Å |
| 219 | I | 93.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 143.1 | 178.7 | 61.8 | 169.8 | 0 | 0 | 0 | 111.3 | L149 L151 F168 Q210 I221 W231 L233 | L149-I219 HydrophobicContact CD2-CG2 4.19Å; L151-I219 HydrophobicContact CD2-CG2 3.92Å; F168-I219 HydrophobicContact CZ-CD1 4.21Å; Q210-I219 CarbonylContact O-C 3.52Å; Q210-I219 WeakPolarHBondContact O-CA 3.3Å; I219-I221 HydrophobicContact CD1-CD1 4.02Å; I219-I221 HydrophobicContact CD1-CG1 4.04Å; I219-I221 HydrophobicContact CG1-CD1 4.39Å; I219-I221 HydrophobicContact CG1-CG1 4.19Å; I219-W231 HydrophobicContact CG1-CB 4.18Å; I219-W231 PolarHBondContact N-O 3.1Å; I219-W231 PolarHBondContact O-N 3.22Å; I219-L233 HydrophobicContact CD1-CD2 3.91Å; I219-L233 HydrophobicContact CG1-CD2 4.22Å; I219-L233 HydrophobicContact CG1-CG 4.45Å; I219-L233 HydrophobicContact CG2-CD1 4.17Å |
| 220 | L | 94.4 | Very high | 91 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.7 | 172.1 | -163.4 | 69.2 | 0 | 0 | 0 | 108.1 | L209 Q210 V228 V229 L230 F242 L251 W253 F260 | L209-L220 WeakPolarHBondContact CA-O 3.3Å; Q210-L220 PolarHBondContact N-O 2.94Å; Q210-L220 PolarHBondContact O-N 2.95Å; L220-V228 HydrophobicContact CD1-CG1 3.58Å; L220-V228 HydrophobicContact CD2-CG1 4.1Å; L220-V228 HydrophobicContact CG-CG1 3.59Å; L220-V229 WeakPolarHBondContact CA-O 3.32Å; L220-L230 HydrophobicContact CD1-CB 4.16Å; L220-L230 HydrophobicContact CD1-CD1 4.35Å; L220-F242 HydrophobicContact CD1-CE2 4.3Å; L220-L251 HydrophobicContact CD2-CD1 3.9Å; L220-L251 HydrophobicContact CG-CD1 4.13Å; L220-W253 HydrophobicContact CB-CZ2 3.87Å; L220-W253 HydrophobicContact CD1-CZ2 4.09Å; L220-W253 HydrophobicContact CD2-CD2 4.45Å; L220-W253 HydrophobicContact CD2-CZ2 3.97Å; L220-W253 HydrophobicContact CG-CZ2 4.21Å; L220-F260 HydrophobicContact CD1-CE1 4.36Å; L220-F260 HydrophobicContact CD2-CB 4.2Å; L220-F260 HydrophobicContact CD2-CD1 4Å; L220-F260 HydrophobicContact CD2-CD2 4.04Å; L220-F260 HydrophobicContact CD2-CE1 4.36Å; L220-F260 HydrophobicContact CD2-CE2 4.41Å; L220-F260 HydrophobicContact CD2-CG 3.82Å |
| 221 | I | 94.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 114.6 | -178.2 | -51.5 | 173.5 | 0 | 0 | 0 | 108.4 | V166 L182 V206 L209 I219 Y223 V228 V229 W231 | V166-I221 HydrophobicContact CG2-CD1 4.26Å; V166-I221 HydrophobicContact CG2-CG2 4.18Å; L182-I221 HydrophobicContact CD1-CD1 4.27Å; V206-I221 HydrophobicContact CG1-CG2 4.11Å; L209-I221 HydrophobicContact CD2-CB 4.19Å; L209-I221 HydrophobicContact CD2-CG1 3.89Å; L209-I221 HydrophobicContact CD2-CG2 3.95Å; I219-I221 HydrophobicContact CD1-CD1 4.02Å; I219-I221 HydrophobicContact CD1-CG1 4.04Å; I219-I221 HydrophobicContact CG1-CD1 4.39Å; I219-I221 HydrophobicContact CG1-CG1 4.19Å; I221-Y223 HydrophobicContact CB-CE2 4.38Å; I221-Y223 HydrophobicContact CG2-CD2 4.33Å; I221-Y223 HydrophobicContact CG2-CE1 4.36Å; I221-Y223 HydrophobicContact CG2-CE2 3.67Å; I221-V228 CarbonylContact O-C 3.55Å; I221-V228 WeakPolarHBondContact O-CA 3.4Å; I221-V229 PolarHBondContact N-O 2.85Å; I221-V229 PolarHBondContact O-N 2.88Å; I221-W231 HydrophobicContact CD1-CB 4.1Å; I221-W231 HydrophobicContact CD1-CG 4.47Å |
| 222 | G | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 123.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V206 E207 S208 L248 | V206-G222 CarbonylContact C-O 3.51Å; E207-G222 PolarHBondContact N-O 3.37Å; S208-G222 PolarHBondContact N-O 3.21Å; S208-G222 PolarHBondContact O-N 3.4Å; G222-L248 VanDerWaalsContact CA-CD2 3.45Å |
| 223 | Y | 93.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 144.3 | 175.4 | -64.1 | -83.8 | 0 | 0 | 0 | 111.4 | G164 V187 L203 P205 V206 I221 R225 G226 L227 V229 | G164-Y223 WeakPolarHBondContact O-CE1 3.27Å; V187-Y223 HydrophobicContact CG1-CE2 4.5Å; L203-Y223 HydrophobicContact CB-CD1 3.73Å; L203-Y223 HydrophobicContact CB-CE1 4.34Å; L203-Y223 HydrophobicContact CB-CG 3.91Å; L203-Y223 HydrophobicContact CD1-CD1 4.07Å; L203-Y223 HydrophobicContact CD1-CD2 4.14Å; L203-Y223 HydrophobicContact CD1-CE1 3.98Å; L203-Y223 HydrophobicContact CD1-CE2 4.05Å; L203-Y223 HydrophobicContact CD1-CG 4.15Å; P205-Y223 WeakPolarHBondContact O-CA 3.5Å; V206-Y223 HydrophobicContact CG2-CD1 4.29Å; V206-Y223 HydrophobicContact CG2-CE1 3.96Å; I221-Y223 HydrophobicContact CB-CE2 4.38Å; I221-Y223 HydrophobicContact CG2-CD2 4.33Å; I221-Y223 HydrophobicContact CG2-CE1 4.36Å; I221-Y223 HydrophobicContact CG2-CE2 3.67Å; Y223-R225 PolarHBondContact O-N 2.78Å; Y223-G226 PolarHBondContact O-N 2.94Å; Y223-L227 HydrophobicContact CD2-CB 4.39Å; Y223-L227 HydrophobicContact CD2-CD2 4.18Å; Y223-L227 HydrophobicContact CD2-CG 4.26Å; Y223-L227 PolarHBondContact N-O 2.87Å; Y223-V229 HydrophobicContact CD2-CG2 4.44Å; Y223-V229 HydrophobicContact CE2-CG2 4.01Å |
| 224 | S | 92.3 | Very high | 90.2 | Very high | 14 Ų | 14 | 30.3 Ų | 30.3 | 10% | 0.098 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48 | -40 | -177.9 | -160.7 | 0 | 0 | 0 | 0 | 114.1 | P205 E207 G226 Q247 L248 | P205-S224 PolarHBondContact O-N 2.89Å; E207-S224 VanDerWaalsContact CG-CA 3.46Å; E207-S224 WeakPolarHBondContact OE1-CB 3.49Å; E207-S224 PolarHBondContact OE1-OG 2.78Å; S224-G226 PolarHBondContact O-N 2.81Å; S224-Q247 CarbonylContact O-C 3.54Å; S224-Q247 VanDerWaalsContact O-CA 3.22Å; S224-Q247 WeakPolarHBondContact O-CA 3.15Å; S224-Q247 WeakPolarHBondContact O-CG 3.31Å; S224-Q247 PolarHBondContact OG-NE2 3.1Å; S224-L248 PolarHBondContact O-N 3.05Å |
| 225 | R | 89.1 | Confident | 90.1 | Very high | 85 Ų | 85 | 28.5 Ų | 28.5 | 32% | 0.321 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | 3.7 | 179.1 | -170.4 | 166.9 | 165.6 | -151.2 | -14.3 | 114.9 | E196 Y197 L203 Y223 | E196-R225 PolarHBondContact O-NH2 2.94Å; Y197-R225 HydrophobicContact CE1-CG 4.34Å; L203-R225 WeakPolarHBondContact O-CB 3.42Å; L203-R225 PolarHBondContact O-N 3.15Å; L203-R225 VanDerWaalsContact O-N 3.13Å; Y223-R225 PolarHBondContact O-N 2.78Å |
| 226 | G | 88.6 | Confident | 89.9 | Confident | 2 Ų | 2 | 28.6 Ų | 28.6 | 2% | 0.021 | 17% | 0.17 | C | C | . | . | S | Bend | trans | 91.3 | -0.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y223 S224 G244 Q246 | Y223-G226 PolarHBondContact O-N 2.94Å; S224-G226 PolarHBondContact O-N 2.81Å; G226-G244 WeakPolarHBondContact O-CA 3.43Å; G226-G244 PolarHBondContact O-N 3.33Å; G226-Q246 WeakPolarHBondContact CA-O 3.09Å |
| 227 | L | 90.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 127.2 | 170.1 | 177.3 | 65.7 | 0 | 0 | 0 | 109.4 | L193 Y197 L203 Y223 V229 L243 | L193-L227 HydrophobicContact CD2-CD1 3.94Å; L193-L227 HydrophobicContact CD2-CD2 3.89Å; Y197-L227 HydrophobicContact CD1-CB 4.17Å; Y197-L227 HydrophobicContact CD1-CD2 4.34Å; Y197-L227 HydrophobicContact CE1-CB 3.81Å; L203-L227 HydrophobicContact CD1-CD2 3.97Å; L203-L227 HydrophobicContact CD2-CD2 3.75Å; L203-L227 HydrophobicContact CG-CD2 4.48Å; Y223-L227 HydrophobicContact CD2-CB 4.39Å; Y223-L227 HydrophobicContact CD2-CD2 4.18Å; Y223-L227 HydrophobicContact CD2-CG 4.26Å; Y223-L227 PolarHBondContact N-O 2.87Å; L227-V229 HydrophobicContact CD1-CG2 4.36Å; L227-V229 HydrophobicContact CD2-CG2 4.11Å; L227-V229 HydrophobicContact CG-CG2 3.98Å; L227-L243 HydrophobicContact CD1-CD2 3.77Å |
| 228 | V | 92.9 | Very high | 89.8 | Confident | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.024 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 137 | 168.6 | -171.3 | 0 | 0 | 0 | 0 | 109.1 | L220 I221 F242 L248 L251 F260 | L220-V228 HydrophobicContact CD1-CG1 3.58Å; L220-V228 HydrophobicContact CD2-CG1 4.1Å; L220-V228 HydrophobicContact CG-CG1 3.59Å; I221-V228 CarbonylContact O-C 3.55Å; I221-V228 WeakPolarHBondContact O-CA 3.4Å; V228-F242 HydrophobicContact CB-CB 4.19Å; V228-F242 HydrophobicContact CB-CD2 4.27Å; V228-F242 HydrophobicContact CG1-CD2 4.41Å; V228-F242 PolarHBondContact N-O 2.98Å; V228-F242 PolarHBondContact O-N 3.46Å; V228-L248 HydrophobicContact CG2-CD2 4.15Å; V228-L251 HydrophobicContact CG1-CD1 3.76Å; V228-L251 HydrophobicContact CG2-CD1 4.29Å; V228-L251 HydrophobicContact CG2-CD2 4.02Å; V228-F260 HydrophobicContact CB-CZ 4.3Å; V228-F260 HydrophobicContact CG1-CE2 4.31Å; V228-F260 HydrophobicContact CG1-CZ 4.07Å; V228-F260 HydrophobicContact CG2-CE2 4.46Å |
| 229 | V | 91.2 | Very high | 89.6 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 121.7 | -175.9 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | V187 L220 I221 Y223 L227 W231 A238 L241 | V187-V229 HydrophobicContact CG1-CG2 4.28Å; L220-V229 WeakPolarHBondContact CA-O 3.32Å; I221-V229 PolarHBondContact N-O 2.85Å; I221-V229 PolarHBondContact O-N 2.88Å; Y223-V229 HydrophobicContact CD2-CG2 4.44Å; Y223-V229 HydrophobicContact CE2-CG2 4.01Å; L227-V229 HydrophobicContact CD1-CG2 4.36Å; L227-V229 HydrophobicContact CD2-CG2 4.11Å; L227-V229 HydrophobicContact CG-CG2 3.98Å; V229-W231 HydrophobicContact CG1-CB 4.44Å; V229-W231 HydrophobicContact CG1-CE3 4.39Å; V229-A238 HydrophobicContact CG1-CB 3.75Å; V229-L241 HydrophobicContact CB-CD2 4.26Å; V229-L241 HydrophobicContact CG1-CD2 3.93Å; V229-L241 HydrophobicContact CG2-CD2 3.79Å |
| 230 | L | 92.2 | Very high | 89.3 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 117.3 | 163.7 | -179 | 64 | 0 | 0 | 0 | 108.3 | K218 L220 A238 D239 Q240 F242 W253 V274 | K218-L230 HydrophobicContact CB-CD1 4.31Å; L220-L230 HydrophobicContact CD1-CB 4.16Å; L220-L230 HydrophobicContact CD1-CD1 4.35Å; L230-A238 CarbonylContact O-C 3.57Å; L230-A238 WeakPolarHBondContact O-CA 3.21Å; L230-D239 HydrophobicContact CD2-CB 4.05Å; L230-D239 HydrophobicContact CG-CB 4.15Å; L230-D239 PolarHBondContact O-N 2.85Å; L230-Q240 HydrophobicContact CB-CB 4.35Å; L230-Q240 HydrophobicContact CD2-CB 4.49Å; L230-Q240 PolarHBondContact N-O 3.36Å; L230-F242 HydrophobicContact CB-CE2 4.24Å; L230-W253 HydrophobicContact CD1-CH2 4.19Å; L230-W253 HydrophobicContact CD1-CZ2 3.99Å; L230-V274 HydrophobicContact CD2-CG1 3.87Å |
| 231 | W | 90.4 | Very high | 89.1 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.008 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 128 | -173.8 | -176 | -82.3 | 0 | 0 | 0 | 111.5 | L182 K218 I219 I221 V229 R236 H237 A238 | L182-W231 HydrophobicContact CD1-CD2 4.22Å; L182-W231 HydrophobicContact CD1-CG 4.24Å; L182-W231 HydrophobicContact CD1-CZ2 4.38Å; L182-W231 HydrophobicContact CD2-CH2 4.11Å; L182-W231 HydrophobicContact CD2-CZ2 3.39Å; K218-W231 WeakPolarHBondContact CA-O 3.45Å; I219-W231 HydrophobicContact CG1-CB 4.18Å; I219-W231 PolarHBondContact N-O 3.1Å; I219-W231 PolarHBondContact O-N 3.22Å; I221-W231 HydrophobicContact CD1-CB 4.1Å; I221-W231 HydrophobicContact CD1-CG 4.47Å; V229-W231 HydrophobicContact CG1-CB 4.44Å; V229-W231 HydrophobicContact CG1-CE3 4.39Å; W231-R236 HydrophobicContact CZ2-CB 4.02Å; W231-R236 VanDerWaalsContact CZ2-O 3.32Å; W231-R236 WeakPolarHBondContact CZ2-O 3.43Å; W231-H237 WeakPolarHBondContact CA-O 3.3Å; W231-A238 HydrophobicContact CE3-CB 4.01Å; W231-A238 HydrophobicContact CZ3-CB 4.28Å |
| 232 | D | 89.6 | Confident | 88.9 | Confident | 28 Ų | 28 | 28 Ų | 28 | 15% | 0.15 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 121 | 171.5 | 171.3 | 26 | 0 | 0 | 0 | 110.5 | K218 G234 T235 R236 H237 | K218-D232 HydrophobicContact CG-CB 4.36Å; D232-G234 VanDerWaalsContact C-N 3.29Å; D232-G234 PolarHBondContact O-N 3.4Å; D232-G234 PolarHBondContact OD1-N 3.11Å; D232-T235 VanDerWaalsContact OD2-CB 3.22Å; D232-T235 WeakPolarHBondContact OD2-CB 3.28Å; D232-T235 WeakPolarHBondContact OD2-CG2 3.39Å; D232-T235 PolarHBondContact OD2-N 2.77Å; D232-T235 PolarHBondContact OD2-OG1 2.82Å; D232-R236 WeakPolarHBondContact O-CA 3.25Å; D232-R236 PolarHBondContact O-N 3.16Å; D232-H237 PolarHBondContact N-O 3.47Å; D232-H237 PolarHBondContact O-N 3.31Å |
| 233 | L | 86.7 | Confident | 88.6 | Confident | 41 Ų | 41 | 28.6 Ų | 28.6 | 22% | 0.215 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -26 | 177.3 | -62.1 | 175.5 | 0 | 0 | 0 | 112.7 | L151 F168 G217 I219 R236 | L151-L233 HydrophobicContact CD1-CD1 3.93Å; F168-L233 HydrophobicContact CE1-CD1 4.18Å; F168-L233 HydrophobicContact CE1-CD2 3.54Å; F168-L233 HydrophobicContact CZ-CD2 3.48Å; F168-L233 VanDerWaalsContact CZ-CD2 3.48Å; G217-L233 VanDerWaalsContact O-CB 3.25Å; G217-L233 WeakPolarHBondContact O-CB 3.34Å; G217-L233 VanDerWaalsContact O-CG 3.25Å; G217-L233 WeakPolarHBondContact O-CG 3.49Å; G217-L233 PolarHBondContact O-N 3.31Å; I219-L233 HydrophobicContact CD1-CD2 3.91Å; I219-L233 HydrophobicContact CG1-CD2 4.22Å; I219-L233 HydrophobicContact CG1-CG 4.45Å; I219-L233 HydrophobicContact CG2-CD1 4.17Å; L233-R236 WeakPolarHBondContact O-CG 3.36Å |
| 234 | G | 85 | Confident | 88.2 | Confident | 66 Ų | 66 | 28.8 Ų | 28.8 | 68% | 0.68 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -59.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D232 R236 | D232-G234 VanDerWaalsContact C-N 3.29Å; D232-G234 PolarHBondContact O-N 3.4Å; D232-G234 PolarHBondContact OD1-N 3.11Å; G234-R236 VanDerWaalsContact C-N 3.25Å; G234-R236 PolarHBondContact O-N 3.35Å |
| 235 | T | 83.9 | Confident | 87.9 | Confident | 97 Ų | 97 | 36.7 Ų | 36.7 | 60% | 0.595 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -13.3 | 174 | 61.9 | 0 | 0 | 0 | 0 | 113.4 | D232 | D232-T235 VanDerWaalsContact OD2-CB 3.22Å; D232-T235 WeakPolarHBondContact OD2-CB 3.28Å; D232-T235 WeakPolarHBondContact OD2-CG2 3.39Å; D232-T235 PolarHBondContact OD2-N 2.77Å; D232-T235 PolarHBondContact OD2-OG1 2.82Å |
| 236 | R | 83.4 | Confident | 88 | Confident | 81 Ų | 81 | 36.8 Ų | 36.8 | 31% | 0.306 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 55.5 | -170.4 | -61.9 | -172.5 | 72.3 | 175 | 9 | 110.9 | S179 Q180 T181 R190 W231 D232 L233 G234 | S179-R236 PolarHBondContact O-NH1 3.39Å; S179-R236 PolarHBondContact O-NH2 2.73Å; Q180-R236 PolarHBondContact O-NH2 2.89Å; T181-R236 PolarHBondContact O-NH2 2.83Å; R190-R236 PolarHBondContact NH1-O 3.19Å; R190-R236 PolarHBondContact NH2-O 2.98Å; W231-R236 HydrophobicContact CZ2-CB 4.02Å; W231-R236 VanDerWaalsContact CZ2-O 3.32Å; W231-R236 WeakPolarHBondContact CZ2-O 3.43Å; D232-R236 WeakPolarHBondContact O-CA 3.25Å; D232-R236 PolarHBondContact O-N 3.16Å; L233-R236 WeakPolarHBondContact O-CG 3.36Å; G234-R236 VanDerWaalsContact C-N 3.25Å; G234-R236 PolarHBondContact O-N 3.35Å |
| 237 | H | 83.3 | Confident | 88.2 | Confident | 75 Ų | 75 | 40.6 Ų | 40.6 | 35% | 0.347 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 157.2 | -179.1 | -163.6 | -89.5 | 0 | 0 | 0 | 111.7 | R190 W231 D232 | R190-H237 PolarHBondContact NH1-CD2 2.79Å; W231-H237 WeakPolarHBondContact CA-O 3.3Å; D232-H237 PolarHBondContact N-O 3.47Å; D232-H237 PolarHBondContact O-N 3.31Å |
| 238 | A | 85.1 | Confident | 88.5 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 112.7 | 171 | 0 | 0 | 0 | 0 | 0 | 109.5 | V229 L230 W231 L241 | V229-A238 HydrophobicContact CG1-CB 3.75Å; L230-A238 CarbonylContact O-C 3.57Å; L230-A238 WeakPolarHBondContact O-CA 3.21Å; W231-A238 HydrophobicContact CE3-CB 4.01Å; W231-A238 HydrophobicContact CZ3-CB 4.28Å; A238-L241 HydrophobicContact CB-CD2 4.26Å |
| 239 | D | 86.4 | Confident | 88.6 | Confident | 60 Ų | 60 | 42.6 Ų | 42.6 | 32% | 0.321 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | -46.3 | -179.6 | -86.2 | 5.5 | 0 | 0 | 0 | 111.6 | K218 L230 | K218-D239 VanDerWaalsContact CE-OD2 3.25Å; K218-D239 WeakPolarHBondContact CE-OD2 3.29Å; K218-D239 IonicContact NZ-OD2 3.87Å; K218-D239 PolarHBondContact NZ-OD2 2.65Å; L230-D239 HydrophobicContact CD2-CB 4.05Å; L230-D239 HydrophobicContact CG-CB 4.15Å; L230-D239 PolarHBondContact O-N 2.85Å |
| 240 | Q | 88.4 | Confident | 88.7 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 137.1 | -175.9 | -174.1 | 172 | 2 | 0 | 0 | 110.1 | L230 F242 P273 N278 T281 | L230-Q240 HydrophobicContact CB-CB 4.35Å; L230-Q240 HydrophobicContact CD2-CB 4.49Å; L230-Q240 PolarHBondContact N-O 3.36Å; Q240-F242 HydrophobicContact CB-CE2 4.09Å; Q240-F242 HydrophobicContact CB-CZ 3.99Å; Q240-F242 VanDerWaalsContact CD-CE1 3.48Å; Q240-F242 HydrophobicContact CG-CE1 3.84Å; Q240-F242 HydrophobicContact CG-CE2 3.83Å; Q240-F242 HydrophobicContact CG-CZ 3.4Å; Q240-F242 VanDerWaalsContact CG-CZ 3.4Å; Q240-P273 PolarHBondContact NE2-O 2.82Å; Q240-P273 VanDerWaalsContact NE2-O 3.12Å; Q240-N278 VanDerWaalsContact CG-O 3.23Å; Q240-N278 WeakPolarHBondContact CG-O 3.48Å; Q240-T281 PolarHBondContact NE2-OG1 3.36Å |
| 241 | L | 89.3 | Confident | 88.9 | Confident | 5 Ų | 5 | 43.1 Ų | 43.1 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 138.6 | 176.8 | -61.6 | 171.2 | 0 | 0 | 0 | 110.4 | S192 L193 V229 A238 A279 C280 T281 | S192-L241 VanDerWaalsContact O-CD1 3.31Å; S192-L241 WeakPolarHBondContact O-CD1 3.27Å; L193-L241 HydrophobicContact CD2-CD1 3.93Å; L193-L241 HydrophobicContact CD2-CD2 4.23Å; L193-L241 HydrophobicContact CG-CD1 4.11Å; V229-L241 HydrophobicContact CB-CD2 4.26Å; V229-L241 HydrophobicContact CG1-CD2 3.93Å; V229-L241 HydrophobicContact CG2-CD2 3.79Å; A238-L241 HydrophobicContact CB-CD2 4.26Å; L241-A279 PolarHBondContact N-O 2.6Å; L241-C280 HydrophobicContact CB-CB 4.48Å; L241-C280 CarbonylContact O-C 3.49Å; L241-C280 WeakPolarHBondContact O-CA 3.37Å; L241-T281 PolarHBondContact O-N 3.44Å |
| 242 | F | 90.6 | Very high | 89.1 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 128.3 | 177.2 | -47.6 | -97.3 | 0 | 0 | 0 | 109.5 | L220 V228 L230 Q240 F260 W272 V274 T281 | L220-F242 HydrophobicContact CD1-CE2 4.3Å; V228-F242 HydrophobicContact CB-CB 4.19Å; V228-F242 HydrophobicContact CB-CD2 4.27Å; V228-F242 HydrophobicContact CG1-CD2 4.41Å; V228-F242 PolarHBondContact N-O 2.98Å; V228-F242 PolarHBondContact O-N 3.46Å; L230-F242 HydrophobicContact CB-CE2 4.24Å; Q240-F242 HydrophobicContact CB-CE2 4.09Å; Q240-F242 HydrophobicContact CB-CZ 3.99Å; Q240-F242 VanDerWaalsContact CD-CE1 3.48Å; Q240-F242 HydrophobicContact CG-CE1 3.84Å; Q240-F242 HydrophobicContact CG-CE2 3.83Å; Q240-F242 HydrophobicContact CG-CZ 3.4Å; Q240-F242 VanDerWaalsContact CG-CZ 3.4Å; F242-F260 HydrophobicContact CB-CZ 4.15Å; F242-F260 AromaticContact CD1-CE1 3.76Å; F242-F260 HydrophobicContact CD1-CE1 3.76Å; F242-F260 AromaticContact CD1-CZ 3.95Å; F242-F260 HydrophobicContact CD1-CZ 3.95Å; F242-F260 AromaticContact CD2-CE1 3.8Å; F242-F260 HydrophobicContact CD2-CE1 3.8Å; F242-F260 AromaticContact CD2-CZ 3.89Å; F242-F260 HydrophobicContact CD2-CZ 3.89Å; F242-F260 AromaticContact CE1-CE1 3.67Å; F242-F260 HydrophobicContact CE1-CE1 3.67Å; F242-F260 HydrophobicContact CE1-CZ 4.33Å; F242-F260 AromaticContact CE2-CE1 3.73Å; F242-F260 HydrophobicContact CE2-CE1 3.73Å; F242-F260 HydrophobicContact CE2-CZ 4.3Å; F242-F260 AromaticContact CG-CE1 3.83Å; F242-F260 HydrophobicContact CG-CE1 3.83Å; F242-F260 AromaticContact CG-CZ 3.72Å; F242-F260 HydrophobicContact CG-CZ 3.72Å; F242-F260 AromaticContact CZ-CE1 3.67Å; F242-F260 HydrophobicContact CZ-CE1 3.67Å; F242-W272 HydrophobicContact CB-CD2 4.44Å; F242-W272 HydrophobicContact CB-CE3 4.09Å; F242-W272 HydrophobicContact CB-CZ3 4.29Å; F242-W272 HydrophobicContact CD1-CB 4.21Å; F242-W272 HydrophobicContact CD1-CD2 4.47Å; F242-W272 HydrophobicContact CD1-CE3 4.02Å; F242-V274 HydrophobicContact CE1-CG2 4.31Å; F242-V274 HydrophobicContact CZ-CG2 3.89Å; F242-T281 HydrophobicContact CD1-CG2 4.17Å |
| 243 | L | 88.1 | Confident | 89.3 | Confident | 12 Ų | 12 | 42.6 Ų | 42.6 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 84.8 | -170.4 | -51 | -178.6 | 0 | 0 | 0 | 110.8 | P194 Y197 L227 T281 | P194-L243 HydrophobicContact CG-CD1 3.86Å; P194-L243 HydrophobicContact CG-CD2 4.45Å; Y197-L243 HydrophobicContact CD2-CD2 4.24Å; Y197-L243 HydrophobicContact CE2-CD2 3.89Å; L227-L243 HydrophobicContact CD1-CD2 3.77Å; L243-T281 PolarHBondContact N-O 3.44Å; L243-T281 VanDerWaalsContact N-O 3.09Å |
| 244 | G | 85.6 | Confident | 89.6 | Confident | 5 Ų | 5 | 42.1 Ų | 42.1 | 5% | 0.052 | 22% | 0.223 | C | C | . | . | trans | -63.4 | 147.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y197 G226 | Y197-G244 PolarHBondContact OH-O 2.9Å; Y197-G244 VanDerWaalsContact OH-O 3.12Å; G226-G244 WeakPolarHBondContact O-CA 3.43Å; G226-G244 PolarHBondContact O-N 3.33Å | ||
| 245 | K | 86.1 | Confident | 89.8 | Confident | 180 Ų | 180 | 40.8 Ų | 40.8 | 78% | 0.783 | 20% | 0.198 | S | C | * | . | S | Bend | trans | -96.1 | -22.1 | 175.5 | -65.8 | -178.8 | -179.4 | 176.8 | 0 | 113.3 | ||
| 246 | Q | 90.8 | Very high | 89.9 | Confident | 87 Ų | 87 | 38 Ų | 38 | 41% | 0.407 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -104.4 | 158.7 | -179 | -56.1 | -65.4 | 30.3 | 0 | 0 | 110.3 | G226 L248 H264 D266 | G226-Q246 WeakPolarHBondContact CA-O 3.09Å; Q246-L248 PolarHBondContact O-N 2.84Å; Q246-H264 HydrophobicContact CB-CB 3.9Å; Q246-D266 WeakPolarHBondContact CG-OD2 3.28Å; Q246-D266 PolarHBondContact NE2-OD2 3.22Å |
| 247 | Q | 93.6 | Very high | 90.1 | Very high | 81 Ų | 81 | 34.3 Ų | 34.3 | 38% | 0.379 | 17% | 0.169 | S | C | . | . | trans | -56.5 | 136.6 | 168.6 | -178.5 | 175.9 | -1.9 | 0 | 0 | 110 | S224 H264 N265 | S224-Q247 CarbonylContact O-C 3.54Å; S224-Q247 VanDerWaalsContact O-CA 3.22Å; S224-Q247 WeakPolarHBondContact O-CA 3.15Å; S224-Q247 WeakPolarHBondContact O-CG 3.31Å; S224-Q247 PolarHBondContact OG-NE2 3.1Å; Q247-H264 VanDerWaalsContact O-CA 3.27Å; Q247-H264 WeakPolarHBondContact O-CA 3.33Å; Q247-H264 WeakPolarHBondContact O-CB 3.46Å; Q247-H264 PolarHBondContact O-ND1 2.78Å; Q247-N265 HydrophobicContact CB-CB 3.98Å; Q247-N265 HydrophobicContact CG-CB 4.4Å; Q247-N265 PolarHBondContact O-N 3.06Å; Q247-N265 PolarHBondContact OE1-ND2 2.93Å | ||
| 248 | L | 95.2 | Very high | 90.4 | Very high | 1 Ų | 1 | 33.6 Ų | 33.6 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 139.6 | 177.3 | -179 | 67.8 | 0 | 0 | 0 | 110 | G222 S224 V228 Q246 L251 | G222-L248 VanDerWaalsContact CA-CD2 3.45Å; S224-L248 PolarHBondContact O-N 3.05Å; V228-L248 HydrophobicContact CG2-CD2 4.15Å; Q246-L248 PolarHBondContact O-N 2.84Å; L248-L251 HydrophobicContact CD1-CD2 3.63Å; L248-L251 HydrophobicContact CD1-CG 4.17Å; L248-L251 HydrophobicContact CD2-CD1 4.36Å; L248-L251 HydrophobicContact CD2-CD2 4.19Å; L248-L251 HydrophobicContact CD2-CG 4.14Å |
| 249 | E | 94.9 | Very high | 90.8 | Very high | 45 Ų | 45 | 35 Ų | 35 | 21% | 0.21 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | -47.8 | 175 | -57.6 | -73.9 | 148.2 | 0 | 0 | 110.6 | S263 N265 A298 I299 | E249-S263 PolarHBondContact N-O 3.39Å; E249-N265 VanDerWaalsContact OE1-CB 3.22Å; E249-N265 WeakPolarHBondContact OE1-CB 3.04Å; E249-A298 HydrophobicContact CG-CB 4.13Å; E249-I299 VanDerWaalsContact CB-O 3.25Å; E249-I299 WeakPolarHBondContact CB-O 3.41Å |
| 250 | S | 95 | Very high | 91.2 | Very high | 18 Ų | 18 | 32.2 Ų | 32.2 | 13% | 0.126 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 152 | -179.1 | -162.4 | 0 | 0 | 0 | 0 | 112.5 | S263 N300 | S250-S263 WeakPolarHBondContact CA-OG 3.38Å; S250-S263 VanDerWaalsContact CB-OG 3.27Å; S250-S263 WeakPolarHBondContact CB-OG 3.43Å; S250-S263 PolarHBondContact N-OG 2.91Å; S250-S263 PolarHBondContact O-N 3.08Å; S250-S263 PolarHBondContact O-OG 2.83Å; S250-N300 WeakPolarHBondContact CB-O 3.47Å |
| 251 | L | 95.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 157 | 173.6 | -63.6 | 176.9 | 0 | 0 | 0 | 110.5 | Q210 L220 V228 L248 F260 V261 | Q210-L251 PolarHBondContact NE2-O 3.43Å; L220-L251 HydrophobicContact CD2-CD1 3.9Å; L220-L251 HydrophobicContact CG-CD1 4.13Å; V228-L251 HydrophobicContact CG1-CD1 3.76Å; V228-L251 HydrophobicContact CG2-CD1 4.29Å; V228-L251 HydrophobicContact CG2-CD2 4.02Å; L248-L251 HydrophobicContact CD1-CD2 3.63Å; L248-L251 HydrophobicContact CD1-CG 4.17Å; L248-L251 HydrophobicContact CD2-CD1 4.36Å; L248-L251 HydrophobicContact CD2-CD2 4.19Å; L248-L251 HydrophobicContact CD2-CG 4.14Å; L251-F260 HydrophobicContact CD2-CD2 4Å; L251-F260 HydrophobicContact CD2-CE2 3.87Å; L251-V261 CarbonylContact C-O 3.57Å; L251-V261 WeakPolarHBondContact CA-O 3.3Å |
| 252 | V | 95.1 | Very high | 91.9 | Very high | 7 Ų | 7 | 31.9 Ų | 31.9 | 4% | 0.042 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.2 | 128.8 | 162.8 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | F260 V261 I302 W304 | V252-F260 CarbonylContact O-C 3.54Å; V252-F260 WeakPolarHBondContact O-CA 3.13Å; V252-F260 WeakPolarHBondContact O-CB 3.45Å; V252-V261 HydrophobicContact CG1-CB 3.94Å; V252-V261 HydrophobicContact CG1-CG2 4.42Å; V252-V261 PolarHBondContact N-O 3.38Å; V252-V261 PolarHBondContact O-N 2.9Å; V252-I302 HydrophobicContact CG1-CG1 4.48Å; V252-I302 HydrophobicContact CG1-CG2 4.03Å; V252-W304 HydrophobicContact CG1-CB 3.86Å |
| 253 | W | 94.1 | Very high | 92.2 | Very high | 13 Ų | 13 | 31.9 Ų | 31.9 | 5% | 0.049 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 142.1 | 168.5 | -77.5 | 108.9 | 0 | 0 | 0 | 112.3 | Q210 H212 P213 L220 L230 G257 F260 V274 | Q210-W253 VanDerWaalsContact OE1-N 3.08Å; H212-W253 HydrophobicContact CB-CZ2 4.14Å; H212-W253 AromaticContact CD2-CH2 3.53Å; H212-W253 AromaticContact CD2-CZ2 3.87Å; P213-W253 HydrophobicContact CG-CB 3.6Å; P213-W253 HydrophobicContact CG-CD2 4.31Å; P213-W253 HydrophobicContact CG-CG 3.89Å; L220-W253 HydrophobicContact CB-CZ2 3.87Å; L220-W253 HydrophobicContact CD1-CZ2 4.09Å; L220-W253 HydrophobicContact CD2-CD2 4.45Å; L220-W253 HydrophobicContact CD2-CZ2 3.97Å; L220-W253 HydrophobicContact CG-CZ2 4.21Å; L230-W253 HydrophobicContact CD1-CH2 4.19Å; L230-W253 HydrophobicContact CD1-CZ2 3.99Å; W253-G257 VanDerWaalsContact CZ3-O 3.26Å; W253-G257 WeakPolarHBondContact CZ3-O 2.88Å; W253-F260 HydrophobicContact CD2-CB 4.26Å; W253-F260 HydrophobicContact CE3-CB 3.96Å; W253-F260 HydrophobicContact CZ3-CB 4.43Å; W253-V274 HydrophobicContact CH2-CG1 4.28Å; W253-V274 HydrophobicContact CH2-CG2 3.86Å; W253-V274 HydrophobicContact CZ3-CB 4.28Å; W253-V274 HydrophobicContact CZ3-CG1 4.47Å; W253-V274 HydrophobicContact CZ3-CG2 3.59Å |
| 254 | E | 92.2 | Very high | 92.5 | Very high | 30 Ų | 30 | 31.8 Ų | 31.8 | 14% | 0.14 | 16% | 0.161 | C | C | . | . | trans | -73.1 | 144.8 | 156.1 | -173.9 | -172.6 | -106.4 | 0 | 0 | 109.8 | S256 G257 L259 W304 T306 | E254-S256 PolarHBondContact O-N 2.85Å; E254-S256 WeakPolarHBondContact OE2-CB 3.29Å; E254-S256 PolarHBondContact OE2-OG 2.95Å; E254-G257 PolarHBondContact O-N 2.89Å; E254-L259 HydrophobicContact CB-CB 4Å; E254-L259 WeakPolarHBondContact CB-O 3.39Å; E254-L259 PolarHBondContact N-O 3.29Å; E254-W304 PolarHBondContact OE1-NE1 2.96Å; E254-T306 HydrophobicContact CG-CG2 3.68Å | ||
| 255 | R | 88.3 | Confident | 93 | Very high | 39 Ų | 39 | 34.3 Ų | 34.3 | 15% | 0.147 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | -31.5 | 177.5 | -163.6 | -177.3 | -174.1 | 91.1 | -4.2 | 115.3 | P213 G257 N356 E358 R361 F363 D364 | P213-R255 WeakPolarHBondContact CB-O 3.35Å; R255-G257 VanDerWaalsContact C-N 3.34Å; R255-N356 PolarHBondContact NH1-O 2.81Å; R255-N356 PolarHBondContact NH2-O 3.13Å; R255-N356 VanDerWaalsContact NH2-O 3.16Å; R255-E358 PolarHBondContact NH2-O 3.41Å; R255-R361 PolarHBondContact NE-O 2.82Å; R255-R361 PolarHBondContact NH2-O 3.06Å; R255-F363 VanDerWaalsContact CZ-O 3.26Å; R255-F363 PolarHBondContact NE-O 2.94Å; R255-D364 WeakPolarHBondContact CD-OD1 3.34Å; R255-D364 IonicContact CZ-OD1 3.89Å; R255-D364 IonicContact NE-OD1 3.28Å; R255-D364 IonicContact NH1-OD1 3.95Å; R255-D364 PolarHBondContact NH1-OD1 3.06Å |
| 256 | S | 86.9 | Confident | 93.3 | Very high | 37 Ų | 37 | 27.8 Ų | 27.8 | 26% | 0.259 | 15% | 0.147 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -25 | 178.1 | 75.5 | 0 | 0 | 0 | 0 | 114.2 | Q214 E254 S258 | Q214-S256 PolarHBondContact NE2-O 3.5Å; Q214-S256 PolarHBondContact OE1-O 3.21Å; E254-S256 PolarHBondContact O-N 2.85Å; E254-S256 WeakPolarHBondContact OE2-CB 3.29Å; E254-S256 PolarHBondContact OE2-OG 2.95Å; S256-S258 PolarHBondContact O-N 3.09Å; S256-S258 WeakPolarHBondContact OG-CB 3.33Å; S256-S258 PolarHBondContact OG-N 3.25Å; S256-S258 PolarHBondContact OG-OG 2.76Å |
| 257 | G | 87.7 | Confident | 93.5 | Very high | 5 Ų | 5 | 23.7 Ų | 23.7 | 5% | 0.052 | 13% | 0.128 | C | C | . | . | S | Bend | trans | 71 | 1.9 | -167.1 | 0 | 0 | 0 | 0 | 0 | 115 | H212 W253 E254 R255 | H212-G257 PolarHBondContact NE2-O 3.06Å; W253-G257 VanDerWaalsContact CZ3-O 3.26Å; W253-G257 WeakPolarHBondContact CZ3-O 2.88Å; E254-G257 PolarHBondContact O-N 2.89Å; R255-G257 VanDerWaalsContact C-N 3.34Å |
| 258 | S | 89.6 | Confident | 93.5 | Very high | 59 Ų | 59 | 19.9 Ų | 19.9 | 41% | 0.413 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -86.2 | -18.5 | 175.4 | 72.9 | 0 | 0 | 0 | 0 | 113.6 | S256 V274 | S256-S258 PolarHBondContact O-N 3.09Å; S256-S258 WeakPolarHBondContact OG-CB 3.33Å; S256-S258 PolarHBondContact OG-N 3.25Å; S256-S258 PolarHBondContact OG-OG 2.76Å; S258-V274 PolarHBondContact O-N 2.57Å |
| 259 | L | 92.9 | Very high | 93.5 | Very high | 46 Ų | 46 | 20.8 Ų | 20.8 | 24% | 0.241 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 146.5 | 178.7 | -64.9 | 172.7 | 0 | 0 | 0 | 110.6 | E254 V271 W272 P273 | E254-L259 HydrophobicContact CB-CB 4Å; E254-L259 WeakPolarHBondContact CB-O 3.39Å; E254-L259 PolarHBondContact N-O 3.29Å; L259-V271 HydrophobicContact CD2-CG1 4.21Å; L259-W272 WeakPolarHBondContact CA-O 3.31Å; L259-P273 HydrophobicContact CD2-CB 4.43Å |
| 260 | F | 95.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 160 | 159.8 | 75.8 | -94.8 | 0 | 0 | 0 | 110.5 | L220 V228 F242 L251 V252 W253 W272 V274 | L220-F260 HydrophobicContact CD1-CE1 4.36Å; L220-F260 HydrophobicContact CD2-CB 4.2Å; L220-F260 HydrophobicContact CD2-CD1 4Å; L220-F260 HydrophobicContact CD2-CD2 4.04Å; L220-F260 HydrophobicContact CD2-CE1 4.36Å; L220-F260 HydrophobicContact CD2-CE2 4.41Å; L220-F260 HydrophobicContact CD2-CG 3.82Å; V228-F260 HydrophobicContact CB-CZ 4.3Å; V228-F260 HydrophobicContact CG1-CE2 4.31Å; V228-F260 HydrophobicContact CG1-CZ 4.07Å; V228-F260 HydrophobicContact CG2-CE2 4.46Å; F242-F260 HydrophobicContact CB-CZ 4.15Å; F242-F260 AromaticContact CD1-CE1 3.76Å; F242-F260 HydrophobicContact CD1-CE1 3.76Å; F242-F260 AromaticContact CD1-CZ 3.95Å; F242-F260 HydrophobicContact CD1-CZ 3.95Å; F242-F260 AromaticContact CD2-CE1 3.8Å; F242-F260 HydrophobicContact CD2-CE1 3.8Å; F242-F260 AromaticContact CD2-CZ 3.89Å; F242-F260 HydrophobicContact CD2-CZ 3.89Å; F242-F260 AromaticContact CE1-CE1 3.67Å; F242-F260 HydrophobicContact CE1-CE1 3.67Å; F242-F260 HydrophobicContact CE1-CZ 4.33Å; F242-F260 AromaticContact CE2-CE1 3.73Å; F242-F260 HydrophobicContact CE2-CE1 3.73Å; F242-F260 HydrophobicContact CE2-CZ 4.3Å; F242-F260 AromaticContact CG-CE1 3.83Å; F242-F260 HydrophobicContact CG-CE1 3.83Å; F242-F260 AromaticContact CG-CZ 3.72Å; F242-F260 HydrophobicContact CG-CZ 3.72Å; F242-F260 AromaticContact CZ-CE1 3.67Å; F242-F260 HydrophobicContact CZ-CE1 3.67Å; L251-F260 HydrophobicContact CD2-CD2 4Å; L251-F260 HydrophobicContact CD2-CE2 3.87Å; V252-F260 CarbonylContact O-C 3.54Å; V252-F260 WeakPolarHBondContact O-CA 3.13Å; V252-F260 WeakPolarHBondContact O-CB 3.45Å; W253-F260 HydrophobicContact CD2-CB 4.26Å; W253-F260 HydrophobicContact CE3-CB 3.96Å; W253-F260 HydrophobicContact CZ3-CB 4.43Å; F260-W272 HydrophobicContact CD1-CB 3.94Å; F260-W272 HydrophobicContact CD2-CB 4.27Å; F260-W272 HydrophobicContact CD2-CG 4.45Å; F260-W272 HydrophobicContact CE1-CB 3.51Å; F260-W272 HydrophobicContact CE1-CG 4.17Å; F260-W272 HydrophobicContact CE2-CB 3.86Å; F260-W272 AromaticContact CE2-CD1 3.43Å; F260-W272 VanDerWaalsContact CE2-CD1 3.43Å; F260-W272 AromaticContact CE2-CG 3.75Å; F260-W272 HydrophobicContact CE2-CG 3.75Å; F260-W272 HydrophobicContact CG-CB 4.3Å; F260-W272 HydrophobicContact CZ-CB 3.47Å; F260-W272 VanDerWaalsContact CZ-CB 3.47Å; F260-W272 AromaticContact CZ-CD1 3.77Å; F260-W272 HydrophobicContact CZ-CD2 4.35Å; F260-W272 AromaticContact CZ-CG 3.59Å; F260-W272 HydrophobicContact CZ-CG 3.59Å; F260-W272 PolarHBondContact N-O 3.34Å; F260-W272 VanDerWaalsContact N-O 3.13Å; F260-W272 PolarHBondContact O-N 2.87Å; F260-V274 HydrophobicContact CD1-CG2 3.71Å; F260-V274 HydrophobicContact CE1-CG2 4.14Å |
| 261 | V | 95.7 | Very high | 93.5 | Very high | 1 Ų | 1 | 18.4 Ų | 18.4 | 1% | 0.006 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 136 | 178.6 | -168.6 | 0 | 0 | 0 | 0 | 109.3 | L251 V252 Y269 A270 V271 I302 W304 | L251-V261 CarbonylContact C-O 3.57Å; L251-V261 WeakPolarHBondContact CA-O 3.3Å; V252-V261 HydrophobicContact CG1-CB 3.94Å; V252-V261 HydrophobicContact CG1-CG2 4.42Å; V252-V261 PolarHBondContact N-O 3.38Å; V252-V261 PolarHBondContact O-N 2.9Å; V261-Y269 HydrophobicContact CG1-CD2 3.8Å; V261-Y269 HydrophobicContact CG1-CG 4.43Å; V261-A270 CarbonylContact C-O 3.53Å; V261-A270 WeakPolarHBondContact CA-O 3.45Å; V261-A270 WeakPolarHBondContact CG1-O 3.34Å; V261-V271 HydrophobicContact CG1-CG2 4.35Å; V261-V271 HydrophobicContact CG2-CG2 4.2Å; V261-I302 HydrophobicContact CG1-CD1 3.73Å; V261-W304 HydrophobicContact CG2-CB 4.27Å; V261-W304 HydrophobicContact CG2-CD2 3.85Å; V261-W304 HydrophobicContact CG2-CE3 3.7Å; V261-W304 HydrophobicContact CG2-CG 4.16Å; V261-W304 HydrophobicContact CG2-CZ3 4.21Å |
| 262 | S | 96.3 | Very high | 93.5 | Very high | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.014 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 146.4 | 171.6 | 61.9 | 0 | 0 | 0 | 0 | 111 | H264 Y269 A270 W272 | S262-H264 PolarHBondContact OG-CE1 2.91Å; S262-H264 PolarHBondContact OG-NE2 3.02Å; S262-Y269 CarbonylContact O-C 3.51Å; S262-Y269 WeakPolarHBondContact O-CA 3.29Å; S262-Y269 VanDerWaalsContact O-CB 3.3Å; S262-Y269 WeakPolarHBondContact O-CB 3.42Å; S262-A270 PolarHBondContact N-O 3.13Å; S262-A270 PolarHBondContact O-N 3.27Å; S262-W272 PolarHBondContact OG-NE1 2.85Å |
| 263 | S | 96.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 152.2 | 175.3 | 53.5 | 0 | 0 | 0 | 0 | 111.3 | E249 S250 I299 I302 | E249-S263 PolarHBondContact N-O 3.39Å; S250-S263 WeakPolarHBondContact CA-OG 3.38Å; S250-S263 VanDerWaalsContact CB-OG 3.27Å; S250-S263 WeakPolarHBondContact CB-OG 3.43Å; S250-S263 PolarHBondContact N-OG 2.91Å; S250-S263 PolarHBondContact O-N 3.08Å; S250-S263 PolarHBondContact O-OG 2.83Å; S263-I299 WeakPolarHBondContact CB-O 3.17Å; S263-I299 PolarHBondContact OG-O 3.25Å; S263-I302 WeakPolarHBondContact OG-CG2 3.33Å |
| 264 | H | 95.9 | Very high | 93.1 | Very high | 10 Ų | 10 | 20.4 Ų | 20.4 | 5% | 0.046 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 157.1 | -159.7 | -62.1 | -63.1 | 0 | 0 | 0 | 114.5 | Q246 Q247 S262 D266 G267 G268 A298 I299 | Q246-H264 HydrophobicContact CB-CB 3.9Å; Q247-H264 VanDerWaalsContact O-CA 3.27Å; Q247-H264 WeakPolarHBondContact O-CA 3.33Å; Q247-H264 WeakPolarHBondContact O-CB 3.46Å; Q247-H264 PolarHBondContact O-ND1 2.78Å; S262-H264 PolarHBondContact OG-CE1 2.91Å; S262-H264 PolarHBondContact OG-NE2 3.02Å; H264-D266 VanDerWaalsContact C-N 3.25Å; H264-D266 VanDerWaalsContact CB-OD1 3.23Å; H264-D266 WeakPolarHBondContact CB-OD1 3.09Å; H264-D266 PolarHBondContact O-N 2.84Å; H264-G267 PolarHBondContact O-N 3.39Å; H264-G267 VanDerWaalsContact O-N 3.09Å; H264-G268 PolarHBondContact N-O 3.36Å; H264-A298 WeakPolarHBondContact O-CA 3.22Å; H264-I299 PolarHBondContact O-N 2.8Å; H264-I299 VanDerWaalsContact O-N 3.14Å |
| 265 | N | 94.7 | Very high | 92.8 | Very high | 58 Ų | 58 | 21.6 Ų | 21.6 | 31% | 0.31 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -25.1 | -179 | -163.5 | -14 | 0 | 0 | 0 | 113.6 | Q247 E249 G267 A298 | Q247-N265 HydrophobicContact CB-CB 3.98Å; Q247-N265 HydrophobicContact CG-CB 4.4Å; Q247-N265 PolarHBondContact O-N 3.06Å; Q247-N265 PolarHBondContact OE1-ND2 2.93Å; E249-N265 VanDerWaalsContact OE1-CB 3.22Å; E249-N265 WeakPolarHBondContact OE1-CB 3.04Å; N265-G267 PolarHBondContact O-N 3.34Å; N265-A298 WeakPolarHBondContact O-CA 3.14Å; N265-A298 PolarHBondContact O-N 3.09Å |
| 266 | D | 93.8 | Very high | 91.9 | Very high | 44 Ų | 44 | 26 Ų | 26 | 24% | 0.235 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -6.2 | 175.2 | 70.3 | -16 | 0 | 0 | 0 | 113.6 | Q246 H264 G268 C296 | Q246-D266 WeakPolarHBondContact CG-OD2 3.28Å; Q246-D266 PolarHBondContact NE2-OD2 3.22Å; H264-D266 VanDerWaalsContact C-N 3.25Å; H264-D266 VanDerWaalsContact CB-OD1 3.23Å; H264-D266 WeakPolarHBondContact CB-OD1 3.09Å; H264-D266 PolarHBondContact O-N 2.84Å; D266-G268 PolarHBondContact OD1-N 2.84Å; D266-C296 WeakPolarHBondContact O-CB 3.38Å |
| 267 | G | 93.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 19% | 0.19 | C | C | . | . | S | Bend | trans | 85.2 | 12.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | H264 N265 P290 K297 I299 | H264-G267 PolarHBondContact O-N 3.39Å; H264-G267 VanDerWaalsContact O-N 3.09Å; N265-G267 PolarHBondContact O-N 3.34Å; G267-P290 WeakPolarHBondContact O-CD 3.4Å; G267-K297 WeakPolarHBondContact CA-O 3.38Å; G267-I299 VanDerWaalsContact O-CD1 3.25Å; G267-I299 WeakPolarHBondContact O-CD1 3.36Å |
| 268 | G | 94.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 32.3 Ų | 32.3 | 2% | 0.021 | 21% | 0.21 | C | C | . | . | trans | -96.5 | 167.8 | 173 | 0 | 0 | 0 | 0 | 0 | 114.6 | H264 D266 T288 | H264-G268 PolarHBondContact N-O 3.36Å; D266-G268 PolarHBondContact OD1-N 2.84Å; G268-T288 CarbonylContact C-O 3.54Å; G268-T288 WeakPolarHBondContact CA-O 3.3Å | ||
| 269 | Y | 95.6 | Very high | 89.5 | Confident | 20 Ų | 20 | 32.7 Ų | 32.7 | 8% | 0.078 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 157.1 | 164 | 72.9 | -94.4 | 0 | 0 | 0 | 110.8 | V261 S262 V271 S287 T288 P290 I302 L314 | V261-Y269 HydrophobicContact CG1-CD2 3.8Å; V261-Y269 HydrophobicContact CG1-CG 4.43Å; S262-Y269 CarbonylContact O-C 3.51Å; S262-Y269 WeakPolarHBondContact O-CA 3.29Å; S262-Y269 VanDerWaalsContact O-CB 3.3Å; S262-Y269 WeakPolarHBondContact O-CB 3.42Å; Y269-V271 HydrophobicContact CD2-CG2 4.46Å; Y269-V271 HydrophobicContact CE2-CG2 4.31Å; Y269-S287 WeakPolarHBondContact O-CA 3.32Å; Y269-T288 HydrophobicContact CE1-CG2 4.33Å; Y269-T288 PolarHBondContact N-O 3.08Å; Y269-T288 PolarHBondContact O-N 3.14Å; Y269-P290 HydrophobicContact CD1-CG 4Å; Y269-P290 HydrophobicContact CE1-CG 3.78Å; Y269-I302 HydrophobicContact CD1-CD1 4.47Å; Y269-I302 HydrophobicContact CD2-CD1 4.4Å; Y269-I302 HydrophobicContact CG-CD1 3.94Å; Y269-L314 HydrophobicContact CD1-CD2 4.42Å; Y269-L314 HydrophobicContact CE1-CD2 3.67Å; Y269-L314 HydrophobicContact CE2-CD2 4.16Å |
| 270 | A | 95.6 | Very high | 88.9 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 2% | 0.017 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 143.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | V261 S262 P284 S286 | V261-A270 CarbonylContact C-O 3.53Å; V261-A270 WeakPolarHBondContact CA-O 3.45Å; V261-A270 WeakPolarHBondContact CG1-O 3.34Å; S262-A270 PolarHBondContact N-O 3.13Å; S262-A270 PolarHBondContact O-N 3.27Å; A270-P284 HydrophobicContact CB-CB 3.92Å; A270-P284 HydrophobicContact CB-CG 4.01Å; A270-S286 CarbonylContact C-O 3.58Å; A270-S286 VanDerWaalsContact CA-O 3.25Å; A270-S286 WeakPolarHBondContact CA-O 3.41Å |
| 271 | V | 94.6 | Very high | 88.3 | Confident | 10 Ų | 10 | 33 Ų | 33 | 6% | 0.061 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.7 | -176.7 | -174 | 0 | 0 | 0 | 0 | 110.2 | L259 V261 Y269 P284 V285 S286 W304 | L259-V271 HydrophobicContact CD2-CG1 4.21Å; V261-V271 HydrophobicContact CG1-CG2 4.35Å; V261-V271 HydrophobicContact CG2-CG2 4.2Å; Y269-V271 HydrophobicContact CD2-CG2 4.46Å; Y269-V271 HydrophobicContact CE2-CG2 4.31Å; V271-P284 CarbonylContact O-C 3.52Å; V271-P284 WeakPolarHBondContact O-CA 3.32Å; V271-P284 WeakPolarHBondContact O-CB 3.47Å; V271-V285 PolarHBondContact O-N 2.9Å; V271-S286 WeakPolarHBondContact CG2-OG 3.3Å; V271-S286 PolarHBondContact N-O 3.36Å; V271-W304 HydrophobicContact CG2-CH2 4.42Å; V271-W304 HydrophobicContact CG2-CZ3 4.48Å |
| 272 | W | 94.3 | Very high | 87.6 | Confident | 8 Ų | 8 | 38.6 Ų | 38.6 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 134.9 | -169.6 | -63.1 | 89.9 | 0 | 0 | 0 | 112.6 | F242 L259 F260 S262 T281 Q283 P284 | F242-W272 HydrophobicContact CB-CD2 4.44Å; F242-W272 HydrophobicContact CB-CE3 4.09Å; F242-W272 HydrophobicContact CB-CZ3 4.29Å; F242-W272 HydrophobicContact CD1-CB 4.21Å; F242-W272 HydrophobicContact CD1-CD2 4.47Å; F242-W272 HydrophobicContact CD1-CE3 4.02Å; L259-W272 WeakPolarHBondContact CA-O 3.31Å; F260-W272 HydrophobicContact CD1-CB 3.94Å; F260-W272 HydrophobicContact CD2-CB 4.27Å; F260-W272 HydrophobicContact CD2-CG 4.45Å; F260-W272 HydrophobicContact CE1-CB 3.51Å; F260-W272 HydrophobicContact CE1-CG 4.17Å; F260-W272 HydrophobicContact CE2-CB 3.86Å; F260-W272 AromaticContact CE2-CD1 3.43Å; F260-W272 VanDerWaalsContact CE2-CD1 3.43Å; F260-W272 AromaticContact CE2-CG 3.75Å; F260-W272 HydrophobicContact CE2-CG 3.75Å; F260-W272 HydrophobicContact CG-CB 4.3Å; F260-W272 HydrophobicContact CZ-CB 3.47Å; F260-W272 VanDerWaalsContact CZ-CB 3.47Å; F260-W272 AromaticContact CZ-CD1 3.77Å; F260-W272 HydrophobicContact CZ-CD2 4.35Å; F260-W272 AromaticContact CZ-CG 3.59Å; F260-W272 HydrophobicContact CZ-CG 3.59Å; F260-W272 PolarHBondContact N-O 3.34Å; F260-W272 VanDerWaalsContact N-O 3.13Å; F260-W272 PolarHBondContact O-N 2.87Å; S262-W272 PolarHBondContact OG-NE1 2.85Å; W272-T281 HydrophobicContact CE3-CG2 3.99Å; W272-T281 HydrophobicContact CZ3-CG2 4.19Å; W272-Q283 VanDerWaalsContact CZ3-C 3.44Å; W272-P284 HydrophobicContact CD2-CB 3.87Å; W272-P284 HydrophobicContact CE3-CB 4.09Å; W272-P284 HydrophobicContact CG-CB 4.39Å; W272-P284 HydrophobicContact CH2-CB 4.34Å; W272-P284 HydrophobicContact CH2-CG 4.45Å; W272-P284 HydrophobicContact CZ2-CB 4.11Å; W272-P284 HydrophobicContact CZ2-CG 4.33Å; W272-P284 HydrophobicContact CZ3-CB 4.33Å |
| 273 | P | 93.1 | Very high | 86.9 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 21% | 0.214 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.1 | -179.7 | 35.5 | -31.1 | 0 | 0 | 0 | 112.1 | Q240 L259 T275 V285 | Q240-P273 PolarHBondContact NE2-O 2.82Å; Q240-P273 VanDerWaalsContact NE2-O 3.12Å; L259-P273 HydrophobicContact CD2-CB 4.43Å; P273-T275 HydrophobicContact CB-CG2 4.42Å; P273-V285 HydrophobicContact CB-CG2 4.08Å; P273-V285 HydrophobicContact CG-CG2 3.8Å |
| 274 | V | 89.2 | Confident | 86.6 | Confident | 23 Ų | 23 | 47.2 Ų | 47.2 | 14% | 0.139 | 29% | 0.292 | C | S | . | . | trans | -93.2 | 119 | 175.6 | -174.5 | 0 | 0 | 0 | 0 | 108.5 | L230 F242 W253 S258 F260 | L230-V274 HydrophobicContact CD2-CG1 3.87Å; F242-V274 HydrophobicContact CE1-CG2 4.31Å; F242-V274 HydrophobicContact CZ-CG2 3.89Å; W253-V274 HydrophobicContact CH2-CG1 4.28Å; W253-V274 HydrophobicContact CH2-CG2 3.86Å; W253-V274 HydrophobicContact CZ3-CB 4.28Å; W253-V274 HydrophobicContact CZ3-CG1 4.47Å; W253-V274 HydrophobicContact CZ3-CG2 3.59Å; S258-V274 PolarHBondContact O-N 2.57Å; F260-V274 HydrophobicContact CD1-CG2 3.71Å; F260-V274 HydrophobicContact CE1-CG2 4.14Å | ||
| 275 | T | 84.1 | Confident | 86.3 | Confident | 54 Ų | 54 | 51.7 Ų | 51.7 | 33% | 0.331 | 32% | 0.32 | S | S | . | . | trans | -138.8 | 112 | -166.6 | 50.3 | 0 | 0 | 0 | 0 | 111.7 | P273 G277 N278 | P273-T275 HydrophobicContact CB-CG2 4.42Å; T275-G277 PolarHBondContact O-N 3.44Å; T275-N278 PolarHBondContact O-N 2.85Å; T275-N278 VanDerWaalsContact O-N 3.12Å; T275-N278 PolarHBondContact OG1-ND2 3.33Å | ||
| 276 | S | 69.7 | Low | 86.1 | Confident | 133 Ų | 133 | 51.3 Ų | 51.3 | 93% | 0.93 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 101.6 | 178.6 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | ||
| 277 | G | 64.7 | Low | 86.1 | Confident | 82 Ų | 82 | 53.3 Ų | 53.3 | 85% | 0.845 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 125.2 | -15.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | T275 | T275-G277 PolarHBondContact O-N 3.44Š|
| 278 | N | 73.4 | Confident | 86 | Confident | 91 Ų | 91 | 56 Ų | 56 | 49% | 0.487 | 36% | 0.355 | S | S | . | . | trans | -90.3 | 116 | 173 | -77.9 | -42.5 | 0 | 0 | 0 | 110.6 | Q240 T275 | Q240-N278 VanDerWaalsContact CG-O 3.23Å; Q240-N278 WeakPolarHBondContact CG-O 3.48Å; T275-N278 PolarHBondContact O-N 2.85Å; T275-N278 VanDerWaalsContact O-N 3.12Å; T275-N278 PolarHBondContact OG1-ND2 3.33Å | ||
| 279 | A | 75.8 | Confident | 86 | Confident | 67 Ų | 67 | 59.4 Ų | 59.4 | 55% | 0.554 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -74.4 | -24.2 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L241 | L241-A279 PolarHBondContact N-O 2.6Š|
| 280 | C | 81 | Confident | 85.9 | Confident | 37 Ų | 37 | 59.4 Ų | 59.4 | 25% | 0.25 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 140.5 | -177.1 | -172.5 | 0 | 0 | 0 | 0 | 112.1 | L241 H282 | L241-C280 HydrophobicContact CB-CB 4.48Å; L241-C280 CarbonylContact O-C 3.49Å; L241-C280 WeakPolarHBondContact O-CA 3.37Å; C280-H282 PolarHBondContact SG-NE2 2.93Å |
| 281 | T | 82.6 | Confident | 85.8 | Confident | 17 Ų | 17 | 59.4 Ų | 59.4 | 10% | 0.104 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 113.1 | -178.5 | -59 | 0 | 0 | 0 | 0 | 109.9 | Q240 L241 F242 L243 W272 Q283 | Q240-T281 PolarHBondContact NE2-OG1 3.36Å; L241-T281 PolarHBondContact O-N 3.44Å; F242-T281 HydrophobicContact CD1-CG2 4.17Å; L243-T281 PolarHBondContact N-O 3.44Å; L243-T281 VanDerWaalsContact N-O 3.09Å; W272-T281 HydrophobicContact CE3-CG2 3.99Å; W272-T281 HydrophobicContact CZ3-CG2 4.19Å; T281-Q283 WeakPolarHBondContact CG2-O 3.19Å |
| 282 | H | 80.6 | Confident | 85.5 | Confident | 117 Ų | 117 | 60.2 Ų | 60.2 | 54% | 0.542 | 39% | 0.385 | S | S | . | . | trans | -91.7 | -12.1 | -171.6 | -70.9 | -100.2 | 0 | 0 | 0 | 114.8 | C280 | C280-H282 PolarHBondContact SG-NE2 2.93Š| ||
| 283 | Q | 82.2 | Confident | 85.3 | Confident | 143 Ų | 143 | 65.9 Ų | 65.9 | 67% | 0.668 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -146.7 | 144.7 | -178.4 | -62.2 | -172.8 | 7.3 | 0 | 0 | 110.4 | W272 T281 | W272-Q283 VanDerWaalsContact CZ3-C 3.44Å; T281-Q283 WeakPolarHBondContact CG2-O 3.19Å |
| 284 | P | 89.6 | Confident | 85.3 | Confident | 40 Ų | 40 | 71.3 Ų | 71.3 | 26% | 0.26 | 44% | 0.443 | S | S | . | . | trans | -75.6 | 165.3 | 171.6 | 33.7 | -36 | 0 | 0 | 0 | 111.5 | A270 V271 W272 S286 | A270-P284 HydrophobicContact CB-CB 3.92Å; A270-P284 HydrophobicContact CB-CG 4.01Å; V271-P284 CarbonylContact O-C 3.52Å; V271-P284 WeakPolarHBondContact O-CA 3.32Å; V271-P284 WeakPolarHBondContact O-CB 3.47Å; W272-P284 HydrophobicContact CD2-CB 3.87Å; W272-P284 HydrophobicContact CE3-CB 4.09Å; W272-P284 HydrophobicContact CG-CB 4.39Å; W272-P284 HydrophobicContact CH2-CB 4.34Å; W272-P284 HydrophobicContact CH2-CG 4.45Å; W272-P284 HydrophobicContact CZ2-CB 4.11Å; W272-P284 HydrophobicContact CZ2-CG 4.33Å; W272-P284 HydrophobicContact CZ3-CB 4.33Å; P284-S286 WeakPolarHBondContact CB-O 3.49Å | ||
| 285 | V | 89.6 | Confident | 85.4 | Confident | 105 Ų | 105 | 75.1 Ų | 75.1 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -68.3 | -37.8 | 171.2 | 167.1 | 0 | 0 | 0 | 0 | 111 | V271 P273 | V271-V285 PolarHBondContact O-N 2.9Å; P273-V285 HydrophobicContact CB-CG2 4.08Å; P273-V285 HydrophobicContact CG-CG2 3.8Å |
| 286 | S | 91.1 | Very high | 85.9 | Confident | 49 Ų | 49 | 72.7 Ų | 72.7 | 34% | 0.343 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.8 | 153.1 | 174.2 | 60.9 | 0 | 0 | 0 | 0 | 110.6 | A270 V271 P284 | A270-S286 CarbonylContact C-O 3.58Å; A270-S286 VanDerWaalsContact CA-O 3.25Å; A270-S286 WeakPolarHBondContact CA-O 3.41Å; V271-S286 WeakPolarHBondContact CG2-OG 3.3Å; V271-S286 PolarHBondContact N-O 3.36Å; P284-S286 WeakPolarHBondContact CB-O 3.49Å |
| 287 | S | 92.9 | Very high | 87.1 | Confident | 86 Ų | 86 | 70.8 Ų | 70.8 | 60% | 0.601 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 123.6 | 175.2 | -168 | 0 | 0 | 0 | 0 | 108 | Y269 | Y269-S287 WeakPolarHBondContact O-CA 3.32Å |
| 288 | T | 93.1 | Very high | 88.6 | Confident | 56 Ų | 56 | 67.5 Ų | 67.5 | 34% | 0.344 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 134 | -169.2 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | G268 Y269 P290 | G268-T288 CarbonylContact C-O 3.54Å; G268-T288 WeakPolarHBondContact CA-O 3.3Å; Y269-T288 HydrophobicContact CE1-CG2 4.33Å; Y269-T288 PolarHBondContact N-O 3.08Å; Y269-T288 PolarHBondContact O-N 3.14Å; T288-P290 HydrophobicContact CG2-CG 4.44Å |
| 289 | I | 94.1 | Very high | 89.7 | Confident | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.385 | 37% | 0.37 | S | S | . | . | trans | -107.2 | 98.7 | 167.1 | -57.4 | 174.9 | 0 | 0 | 0 | 106.2 | Y291 G292 | I289-Y291 VanDerWaalsContact C-N 3.31Å; I289-Y291 PolarHBondContact O-N 3.35Å; I289-G292 PolarHBondContact O-N 2.85Å | ||
| 290 | P | 92.2 | Very high | 90.5 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -38.2 | -164.8 | -28.6 | 38.1 | 0 | 0 | 0 | 114 | G267 Y269 T288 Y316 W508 | G267-P290 WeakPolarHBondContact O-CD 3.4Å; Y269-P290 HydrophobicContact CD1-CG 4Å; Y269-P290 HydrophobicContact CE1-CG 3.78Å; T288-P290 HydrophobicContact CG2-CG 4.44Å; P290-Y316 WeakPolarHBondContact CB-OH 3.33Å; P290-Y316 HydrophobicContact CG-CE2 4.31Å; P290-Y316 VanDerWaalsContact CG-OH 3.31Å; P290-Y316 WeakPolarHBondContact CG-OH 3.24Å; P290-W508 WeakPolarHBondContact O-CZ2 3.21Å |
| 291 | Y | 93.4 | Very high | 91.2 | Very high | 3 Ų | 3 | 65.3 Ų | 65.3 | 1% | 0.012 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | 23.5 | 179.9 | -51.8 | -67.7 | 0 | 0 | 0 | 113 | I289 Y316 G319 M320 T332 H339 T341 W508 P509 | I289-Y291 VanDerWaalsContact C-N 3.31Å; I289-Y291 PolarHBondContact O-N 3.35Å; Y291-Y316 HydrophobicContact CE2-CE2 4.02Å; Y291-G319 WeakPolarHBondContact CD2-O 3.2Å; Y291-M320 HydrophobicContact CD2-CE 3.72Å; Y291-M320 HydrophobicContact CE1-CE 4.42Å; Y291-M320 HydrophobicContact CE2-CE 3.25Å; Y291-M320 HydrophobicContact CG-CE 4.44Å; Y291-T332 WeakPolarHBondContact OH-CG2 3.33Å; Y291-T332 PolarHBondContact OH-OG1 2.62Å; Y291-H339 AromaticContact CE1-CE1 3.9Å; Y291-H339 AromaticContact CE1-NE2 3.37Å; Y291-H339 WeakPolarHBondContact CE1-NE2 3.34Å; Y291-H339 AromaticContact CZ-NE2 3.38Å; Y291-H339 PolarHBondContact OH-NE2 3.32Å; Y291-T341 PolarHBondContact OH-OG1 3.44Å; Y291-T341 VanDerWaalsContact OH-OG1 3.07Å; Y291-W508 AromaticContact CD1-CZ2 3.9Å; Y291-W508 HydrophobicContact CD1-CZ2 3.9Å; Y291-W508 HydrophobicContact CE1-CZ2 4.13Å; Y291-P509 HydrophobicContact CD1-CB 3.85Å; Y291-P509 HydrophobicContact CD1-CG 3.63Å; Y291-P509 HydrophobicContact CE1-CB 3.58Å; Y291-P509 HydrophobicContact CE1-CG 3.89Å; Y291-P509 HydrophobicContact CG-CG 4.2Å |
| 292 | G | 89.5 | Confident | 91.8 | Very high | 27 Ų | 27 | 64.6 Ų | 64.6 | 28% | 0.278 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | 170.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I289 | I289-G292 PolarHBondContact O-N 2.85Š|
| 293 | P | 90.6 | Very high | 92.6 | Very high | 127 Ų | 127 | 59.8 Ų | 59.8 | 83% | 0.825 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.7 | 1.7 | 7.5 | 35.5 | -37.4 | 0 | 0 | 0 | 114.4 | ||
| 294 | F | 91.2 | Very high | 93.2 | Very high | 146 Ų | 146 | 54.5 Ų | 54.5 | 64% | 0.64 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -70.2 | 151.5 | -177.9 | -63.8 | -72 | 0 | 0 | 0 | 112.3 | C296 P321 | F294-C296 PolarHBondContact O-N 3.42Å; F294-C296 PolarHBondContact O-SG 3.07Å; F294-C296 VanDerWaalsContact O-SG 3.38Å; F294-P321 HydrophobicContact CB-CB 4.47Å |
| 295 | P | 92.7 | Very high | 93.4 | Very high | 103 Ų | 103 | 54.2 Ų | 54.2 | 67% | 0.669 | 31% | 0.308 | S | S | * | . | trans | -61.4 | 118.4 | 175 | -23.5 | 34.4 | 0 | 0 | 0 | 111.7 | R322 | P295-R322 WeakPolarHBondContact O-CB 3.39Å; P295-R322 PolarHBondContact O-N 2.75Å | ||
| 296 | C | 94.6 | Very high | 93.5 | Very high | 4 Ų | 4 | 50 Ų | 50 | 3% | 0.027 | 28% | 0.283 | C | S | . | . | B | Isolated β-bridge | trans | -93.2 | 177.6 | -176.7 | -72 | 0 | 0 | 0 | 0 | 113.1 | D266 F294 G319 M320 R322 | D266-C296 WeakPolarHBondContact O-CB 3.38Å; F294-C296 PolarHBondContact O-N 3.42Å; F294-C296 PolarHBondContact O-SG 3.07Å; F294-C296 VanDerWaalsContact O-SG 3.38Å; C296-G319 VanDerWaalsContact CB-O 3.24Å; C296-G319 WeakPolarHBondContact CB-O 3.46Å; C296-G319 PolarHBondContact SG-O 2.79Å; C296-M320 CarbonylContact C-O 3.58Å; C296-M320 WeakPolarHBondContact CA-O 3.05Å; C296-R322 PolarHBondContact O-NE 2.77Å; C296-R322 PolarHBondContact O-NH2 3.36Å |
| 297 | K | 94.8 | Very high | 93.4 | Very high | 93 Ų | 93 | 48.4 Ų | 48.4 | 40% | 0.404 | 27% | 0.272 | S | S | . | . | trans | -89.3 | 156.7 | 158.8 | -77.4 | -168.6 | 158.4 | -167.4 | 0 | 110.2 | G267 G319 M320 R322 G326 | G267-K297 WeakPolarHBondContact CA-O 3.38Å; K297-G319 VanDerWaalsContact O-CA 3.23Å; K297-G319 WeakPolarHBondContact O-CA 3.41Å; K297-G319 PolarHBondContact O-N 2.91Å; K297-M320 PolarHBondContact N-O 2.82Å; K297-R322 HydrophobicContact CG-CG 4.36Å; K297-G326 WeakPolarHBondContact CE-O 3.4Å; K297-G326 PolarHBondContact NZ-O 2.72Å | ||
| 298 | A | 95.4 | Very high | 93.1 | Very high | 12 Ų | 12 | 50.6 Ų | 50.6 | 10% | 0.099 | 27% | 0.272 | C | S | . | . | trans | -45.5 | 151 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E249 H264 N265 N300 G318 G319 | E249-A298 HydrophobicContact CG-CB 4.13Å; H264-A298 WeakPolarHBondContact O-CA 3.22Å; N265-A298 WeakPolarHBondContact O-CA 3.14Å; N265-A298 PolarHBondContact O-N 3.09Å; A298-N300 WeakPolarHBondContact CB-OD1 3.49Å; A298-N300 PolarHBondContact O-OD1 2.93Å; A298-G318 WeakPolarHBondContact O-CA 3.28Å; A298-G319 PolarHBondContact O-N 3.39Å | ||
| 299 | I | 96.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 99.8 | 161.8 | -69.3 | 174.8 | 0 | 0 | 0 | 107.4 | E249 S263 H264 G267 I302 Y316 S317 | E249-I299 VanDerWaalsContact CB-O 3.25Å; E249-I299 WeakPolarHBondContact CB-O 3.41Å; S263-I299 WeakPolarHBondContact CB-O 3.17Å; S263-I299 PolarHBondContact OG-O 3.25Å; H264-I299 PolarHBondContact O-N 2.8Å; H264-I299 VanDerWaalsContact O-N 3.14Å; G267-I299 VanDerWaalsContact O-CD1 3.25Å; G267-I299 WeakPolarHBondContact O-CD1 3.36Å; I299-I302 HydrophobicContact CG2-CB 4.36Å; I299-Y316 HydrophobicContact CD1-CD2 3.67Å; I299-Y316 HydrophobicContact CD1-CE2 3.87Å; I299-Y316 HydrophobicContact CD1-CG 4.37Å; I299-Y316 HydrophobicContact CG1-CD2 3.96Å; I299-Y316 HydrophobicContact CG1-CE2 4.43Å; I299-Y316 HydrophobicContact CG2-CD2 4.15Å; I299-Y316 HydrophobicContact CG2-CG 4.28Å; I299-S317 WeakPolarHBondContact CA-O 3.45Å |
| 300 | N | 93.3 | Very high | 91.8 | Very high | 99 Ų | 99 | 52.1 Ų | 52.1 | 53% | 0.529 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | -29.3 | -168.5 | -64.5 | 38.2 | 0 | 0 | 0 | 113.3 | S250 A298 S317 | S250-N300 WeakPolarHBondContact CB-O 3.47Å; A298-N300 WeakPolarHBondContact CB-OD1 3.49Å; A298-N300 PolarHBondContact O-OD1 2.93Å; N300-S317 PolarHBondContact N-O 3.42Å |
| 301 | K | 95.4 | Very high | 91.5 | Very high | 50 Ų | 50 | 51.5 Ų | 51.5 | 22% | 0.217 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 136.9 | 177.1 | -172.8 | 178.1 | -171.9 | -176.6 | 0 | 109.6 | Y316 S317 D350 F351 | K301-Y316 VanDerWaalsContact O-CA 3.27Å; K301-Y316 WeakPolarHBondContact O-CA 3.15Å; K301-S317 PolarHBondContact N-OG 3.3Å; K301-S317 PolarHBondContact O-N 2.93Å; K301-D350 WeakPolarHBondContact CD-OD1 3.29Å; K301-D350 WeakPolarHBondContact CE-OD1 3.37Å; K301-D350 IonicContact NZ-OD1 2.75Å; K301-D350 PolarHBondContact NZ-OD1 3.4Å; K301-D350 IonicContact NZ-OD2 2.8Å; K301-D350 PolarHBondContact NZ-OD2 3.38Å; K301-F351 HydrophobicContact CB-CE1 3.93Å; K301-F351 HydrophobicContact CB-CZ 4.24Å; K301-F351 HydrophobicContact CD-CD1 4.24Å; K301-F351 HydrophobicContact CD-CE1 3.87Å; K301-F351 HydrophobicContact CD-CZ 4.2Å; K301-F351 HydrophobicContact CG-CE1 4.05Å; K301-F351 HydrophobicContact CG-CZ 4.09Å; K301-F351 PolarHBondContact NZ-O 2.95Å |
| 302 | I | 96.3 | Very high | 91.4 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 138.3 | -178.7 | -172.2 | 158.9 | 0 | 0 | 0 | 110 | V252 V261 S263 Y269 I299 L314 L315 | V252-I302 HydrophobicContact CG1-CG1 4.48Å; V252-I302 HydrophobicContact CG1-CG2 4.03Å; V261-I302 HydrophobicContact CG1-CD1 3.73Å; S263-I302 WeakPolarHBondContact OG-CG2 3.33Å; Y269-I302 HydrophobicContact CD1-CD1 4.47Å; Y269-I302 HydrophobicContact CD2-CD1 4.4Å; Y269-I302 HydrophobicContact CG-CD1 3.94Å; I299-I302 HydrophobicContact CG2-CB 4.36Å; I302-L314 HydrophobicContact CD1-CD1 3.75Å; I302-L314 HydrophobicContact CG1-CD1 3.71Å; I302-L315 CarbonylContact C-O 3.57Å; I302-L315 WeakPolarHBondContact CA-O 3.35Å |
| 303 | L | 95.9 | Very high | 91.6 | Very high | 16 Ų | 16 | 52.4 Ų | 52.4 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 134.5 | 173.4 | -60.9 | -179.9 | 0 | 0 | 0 | 109.3 | L315 F351 T353 | L303-L315 HydrophobicContact CB-CB 4.38Å; L303-L315 HydrophobicContact CB-CD1 4.31Å; L303-L315 PolarHBondContact N-O 3.33Å; L303-L315 PolarHBondContact O-N 2.85Å; L303-F351 HydrophobicContact CD1-CD2 3.82Å; L303-F351 HydrophobicContact CD1-CE2 3.56Å; L303-F351 HydrophobicContact CG-CE2 3.84Å; L303-F351 HydrophobicContact CG-CZ 4.47Å; L303-T353 HydrophobicContact CD1-CG2 4.09Å |
| 304 | W | 94.3 | Very high | 91.9 | Very high | 32 Ų | 32 | 46.7 Ų | 46.7 | 12% | 0.121 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 127.6 | 174.2 | -173.2 | -90.6 | 0 | 0 | 0 | 108.1 | V252 E254 V261 V271 P312 L314 | V252-W304 HydrophobicContact CG1-CB 3.86Å; E254-W304 PolarHBondContact OE1-NE1 2.96Å; V261-W304 HydrophobicContact CG2-CB 4.27Å; V261-W304 HydrophobicContact CG2-CD2 3.85Å; V261-W304 HydrophobicContact CG2-CE3 3.7Å; V261-W304 HydrophobicContact CG2-CG 4.16Å; V261-W304 HydrophobicContact CG2-CZ3 4.21Å; V271-W304 HydrophobicContact CG2-CH2 4.42Å; V271-W304 HydrophobicContact CG2-CZ3 4.48Å; W304-P312 HydrophobicContact CD2-CB 4.17Å; W304-P312 HydrophobicContact CH2-CB 4.49Å; W304-P312 HydrophobicContact CH2-CG 3.87Å; W304-P312 HydrophobicContact CZ2-CB 3.9Å; W304-P312 HydrophobicContact CZ2-CG 3.53Å; W304-L314 HydrophobicContact CE3-CD1 4.3Å |
| 305 | R | 93.9 | Very high | 92.1 | Very high | 34 Ų | 34 | 39.7 Ų | 39.7 | 13% | 0.128 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 123.4 | -178.9 | -62.9 | -65.7 | 171.1 | -117.8 | 15.2 | 110.9 | P312 V313 L315 T353 H355 D364 P366 | R305-P312 CarbonylContact O-C 3.17Å; R305-P312 WeakPolarHBondContact O-CA 3.39Å; R305-V313 HydrophobicContact CB-CB 4.39Å; R305-V313 PolarHBondContact N-O 2.89Å; R305-V313 PolarHBondContact O-N 2.83Å; R305-L315 HydrophobicContact CG-CD1 4.37Å; R305-T353 HydrophobicContact CG-CG2 4.32Å; R305-T353 PolarHBondContact NE-OG1 3.42Å; R305-H355 PolarHBondContact NE-NE2 3.5Å; R305-D364 VanDerWaalsContact CA-OD2 3.28Å; R305-D364 WeakPolarHBondContact CA-OD2 3.37Å; R305-D364 HydrophobicContact CB-CB 4.07Å; R305-P366 HydrophobicContact CB-CB 4.37Å; R305-P366 HydrophobicContact CB-CG 3.86Å; R305-P366 HydrophobicContact CG-CB 4.39Å; R305-P366 HydrophobicContact CG-CG 4.37Å |
| 306 | T | 92.5 | Very high | 92.3 | Very high | 17 Ų | 17 | 34.8 Ų | 34.8 | 10% | 0.104 | 20% | 0.197 | C | C | . | . | trans | -77.7 | 145.7 | 177.8 | 61.4 | 0 | 0 | 0 | 0 | 111 | E254 F363 D364 D365 | E254-T306 HydrophobicContact CG-CG2 3.68Å; T306-F363 WeakPolarHBondContact OG1-CA 3.45Å; T306-D364 PolarHBondContact N-OD2 3.3Å; T306-D364 WeakPolarHBondContact O-CA 3.5Å; T306-D364 WeakPolarHBondContact O-CB 3.43Å; T306-D364 PolarHBondContact O-N 3.27Å; T306-D364 PolarHBondContact OG1-N 2.89Å; T306-D364 VanDerWaalsContact OG1-N 3.13Å; T306-D364 PolarHBondContact OG1-OD2 2.89Å; T306-D365 PolarHBondContact O-N 2.89Å | ||
| 307 | S | 88.9 | Confident | 92.3 | Very high | 15 Ų | 15 | 35.4 Ų | 35.4 | 11% | 0.105 | 20% | 0.201 | C | C | . | . | trans | -130.2 | 143.8 | -177.5 | 173.3 | 0 | 0 | 0 | 0 | 110.4 | T309 G310 S311 F363 D365 | S307-T309 WeakPolarHBondContact CB-OG1 3.47Å; S307-T309 PolarHBondContact O-N 3.35Å; S307-T309 PolarHBondContact OG-N 3.48Å; S307-T309 VanDerWaalsContact OG-N 3.16Å; S307-T309 PolarHBondContact OG-OG1 3Å; S307-G310 PolarHBondContact O-N 3.44Å; S307-S311 VanDerWaalsContact CB-O 3.28Å; S307-S311 WeakPolarHBondContact CB-O 3.46Å; S307-F363 VanDerWaalsContact O-CD1 3.29Å; S307-F363 WeakPolarHBondContact O-CD1 3.23Å; S307-F363 WeakPolarHBondContact O-CE1 3.48Å; S307-D365 WeakPolarHBondContact CA-OD1 3.09Å | ||
| 308 | Q | 85.9 | Confident | 92.2 | Very high | 132 Ų | 132 | 31.9 Ų | 31.9 | 62% | 0.617 | 19% | 0.191 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -16.6 | 170.2 | -73 | 175.7 | 51.3 | 0 | 0 | 113.8 | G310 F363 D365 | Q308-G310 PolarHBondContact O-N 2.86Å; Q308-F363 HydrophobicContact CG-CB 4.1Å; Q308-F363 HydrophobicContact CG-CD2 3.6Å; Q308-F363 HydrophobicContact CG-CE2 4.24Å; Q308-F363 HydrophobicContact CG-CG 3.87Å; Q308-D365 PolarHBondContact N-OD1 2.84Å; Q308-D365 PolarHBondContact NE2-OD2 3.01Å |
| 309 | T | 79.6 | Confident | 92 | Very high | 95 Ų | 95 | 31.3 Ų | 31.3 | 58% | 0.583 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -9.5 | 171.1 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | S307 S311 Q335 | S307-T309 WeakPolarHBondContact CB-OG1 3.47Å; S307-T309 PolarHBondContact O-N 3.35Å; S307-T309 PolarHBondContact OG-N 3.48Å; S307-T309 VanDerWaalsContact OG-N 3.16Å; S307-T309 PolarHBondContact OG-OG1 3Å; T309-S311 VanDerWaalsContact C-N 3.27Å; T309-S311 PolarHBondContact O-N 2.87Å; T309-S311 PolarHBondContact OG1-OG 2.67Å; T309-Q335 PolarHBondContact OG1-NE2 2.8Å |
| 310 | G | 79.9 | Confident | 91.9 | Very high | 69 Ų | 69 | 31.5 Ų | 31.5 | 71% | 0.711 | 19% | 0.187 | S | C | * | . | S | Bend | trans | 85.5 | -7.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | S307 Q308 | S307-G310 PolarHBondContact O-N 3.44Å; Q308-G310 PolarHBondContact O-N 2.86Å |
| 311 | S | 87.1 | Confident | 91.9 | Very high | 6 Ų | 6 | 27.3 Ų | 27.3 | 4% | 0.042 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -113.6 | 122.2 | -176.4 | 52.1 | 0 | 0 | 0 | 0 | 111.5 | S307 T309 D336 | S307-S311 VanDerWaalsContact CB-O 3.28Å; S307-S311 WeakPolarHBondContact CB-O 3.46Å; T309-S311 VanDerWaalsContact C-N 3.27Å; T309-S311 PolarHBondContact O-N 2.87Å; T309-S311 PolarHBondContact OG1-OG 2.67Å; S311-D336 WeakPolarHBondContact CB-OD1 3.35Å; S311-D336 WeakPolarHBondContact CB-OD2 3.39Å; S311-D336 PolarHBondContact OG-OD2 3.44Å |
| 312 | P | 91.8 | Very high | 91.8 | Very high | 43 Ų | 43 | 31.3 Ų | 31.3 | 28% | 0.279 | 18% | 0.179 | S | C | . | . | P | Polyproline II helix | trans | -71.1 | 140.6 | 179.9 | 29.3 | -33.6 | 0 | 0 | 0 | 110.9 | W304 R305 | W304-P312 HydrophobicContact CD2-CB 4.17Å; W304-P312 HydrophobicContact CH2-CB 4.49Å; W304-P312 HydrophobicContact CH2-CG 3.87Å; W304-P312 HydrophobicContact CZ2-CB 3.9Å; W304-P312 HydrophobicContact CZ2-CG 3.53Å; R305-P312 CarbonylContact O-C 3.17Å; R305-P312 WeakPolarHBondContact O-CA 3.39Å |
| 313 | V | 94.1 | Very high | 91.5 | Very high | 6 Ų | 6 | 36.2 Ų | 36.2 | 4% | 0.036 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 116.9 | 167.2 | -166.8 | 0 | 0 | 0 | 0 | 107.8 | R305 L315 I333 Q335 P366 | R305-V313 HydrophobicContact CB-CB 4.39Å; R305-V313 PolarHBondContact N-O 2.89Å; R305-V313 PolarHBondContact O-N 2.83Å; V313-L315 HydrophobicContact CB-CD1 4.26Å; V313-L315 HydrophobicContact CG1-CD1 3.77Å; V313-L315 HydrophobicContact CG1-CG 4.12Å; V313-I333 HydrophobicContact CG1-CG2 4.01Å; V313-Q335 HydrophobicContact CG2-CG 4.3Å; V313-P366 HydrophobicContact CB-CG 4.14Å; V313-P366 HydrophobicContact CG2-CG 3.75Å |
| 314 | L | 94.9 | Very high | 91.2 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.031 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.4 | 175.6 | 167.1 | 59.9 | 0 | 0 | 0 | 108.7 | Y269 I302 W304 Y316 Q334 | Y269-L314 HydrophobicContact CD1-CD2 4.42Å; Y269-L314 HydrophobicContact CE1-CD2 3.67Å; Y269-L314 HydrophobicContact CE2-CD2 4.16Å; I302-L314 HydrophobicContact CD1-CD1 3.75Å; I302-L314 HydrophobicContact CG1-CD1 3.71Å; W304-L314 HydrophobicContact CE3-CD1 4.3Å; L314-Y316 HydrophobicContact CD1-CD1 3.98Å; L314-Y316 HydrophobicContact CD2-CD1 4.28Å; L314-Y316 HydrophobicContact CD2-CE1 4.08Å; L314-Y316 HydrophobicContact CG-CD1 3.83Å; L314-Y316 HydrophobicContact CG-CE1 4.02Å; L314-Q334 HydrophobicContact CB-CB 4.34Å; L314-Q334 PolarHBondContact N-O 2.88Å; L314-Q334 PolarHBondContact O-N 2.82Å |
| 315 | L | 96.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 130.6 | 178.9 | -48.7 | 92.1 | 0 | 0 | 0 | 110.1 | I302 L303 R305 V313 T332 I333 F351 T353 L369 | I302-L315 CarbonylContact C-O 3.57Å; I302-L315 WeakPolarHBondContact CA-O 3.35Å; L303-L315 HydrophobicContact CB-CB 4.38Å; L303-L315 HydrophobicContact CB-CD1 4.31Å; L303-L315 PolarHBondContact N-O 3.33Å; L303-L315 PolarHBondContact O-N 2.85Å; R305-L315 HydrophobicContact CG-CD1 4.37Å; V313-L315 HydrophobicContact CB-CD1 4.26Å; V313-L315 HydrophobicContact CG1-CD1 3.77Å; V313-L315 HydrophobicContact CG1-CG 4.12Å; L315-T332 WeakPolarHBondContact CA-O 3.49Å; L315-I333 HydrophobicContact CD2-CG1 4.3Å; L315-F351 HydrophobicContact CB-CE2 4.15Å; L315-T353 HydrophobicContact CD1-CG2 3.92Å; L315-T353 HydrophobicContact CD2-CG2 3.9Å; L315-L369 HydrophobicContact CD2-CB 4.45Å; L315-L369 HydrophobicContact CD2-CD1 3.98Å; L315-L369 HydrophobicContact CD2-CD2 4.12Å; L315-L369 HydrophobicContact CD2-CG 4.4Å |
| 316 | Y | 96.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 147.5 | -179.1 | 59.2 | -87 | 0 | 0 | 0 | 114.2 | P290 Y291 I299 K301 L314 L331 T332 | P290-Y316 WeakPolarHBondContact CB-OH 3.33Å; P290-Y316 HydrophobicContact CG-CE2 4.31Å; P290-Y316 VanDerWaalsContact CG-OH 3.31Å; P290-Y316 WeakPolarHBondContact CG-OH 3.24Å; Y291-Y316 HydrophobicContact CE2-CE2 4.02Å; I299-Y316 HydrophobicContact CD1-CD2 3.67Å; I299-Y316 HydrophobicContact CD1-CE2 3.87Å; I299-Y316 HydrophobicContact CD1-CG 4.37Å; I299-Y316 HydrophobicContact CG1-CD2 3.96Å; I299-Y316 HydrophobicContact CG1-CE2 4.43Å; I299-Y316 HydrophobicContact CG2-CD2 4.15Å; I299-Y316 HydrophobicContact CG2-CG 4.28Å; K301-Y316 VanDerWaalsContact O-CA 3.27Å; K301-Y316 WeakPolarHBondContact O-CA 3.15Å; L314-Y316 HydrophobicContact CD1-CD1 3.98Å; L314-Y316 HydrophobicContact CD2-CD1 4.28Å; L314-Y316 HydrophobicContact CD2-CE1 4.08Å; L314-Y316 HydrophobicContact CG-CD1 3.83Å; L314-Y316 HydrophobicContact CG-CE1 4.02Å; Y316-L331 CarbonylContact O-C 3.55Å; Y316-L331 WeakPolarHBondContact O-CA 3.18Å; Y316-T332 HydrophobicContact CE1-CG2 3.83Å; Y316-T332 HydrophobicContact CE2-CG2 4.3Å; Y316-T332 WeakPolarHBondContact CE2-OG1 3.41Å; Y316-T332 VanDerWaalsContact CZ-CB 3.46Å; Y316-T332 PolarHBondContact N-O 2.78Å; Y316-T332 PolarHBondContact O-N 2.68Å |
| 317 | S | 95.6 | Very high | 90.6 | Very high | 16 Ų | 16 | 44.4 Ų | 44.4 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 143.3 | 174 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | I299 N300 K301 | I299-S317 WeakPolarHBondContact CA-O 3.45Å; N300-S317 PolarHBondContact N-O 3.42Å; K301-S317 PolarHBondContact N-OG 3.3Å; K301-S317 PolarHBondContact O-N 2.93Å |
| 318 | G | 90.9 | Very high | 90.7 | Very high | 20 Ų | 20 | 48.5 Ų | 48.5 | 21% | 0.206 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 88.3 | -140.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | A298 M320 C330 | A298-G318 WeakPolarHBondContact O-CA 3.28Å; G318-M320 PolarHBondContact O-N 3.44Å; G318-M320 VanDerWaalsContact O-N 3.14Å; G318-C330 PolarHBondContact N-O 2.93Å |
| 319 | G | 92.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | trans | 73.7 | -8.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y291 C296 K297 A298 | Y291-G319 WeakPolarHBondContact CD2-O 3.2Å; C296-G319 VanDerWaalsContact CB-O 3.24Å; C296-G319 WeakPolarHBondContact CB-O 3.46Å; C296-G319 PolarHBondContact SG-O 2.79Å; K297-G319 VanDerWaalsContact O-CA 3.23Å; K297-G319 WeakPolarHBondContact O-CA 3.41Å; K297-G319 PolarHBondContact O-N 2.91Å; A298-G319 PolarHBondContact O-N 3.39Å | ||
| 320 | M | 94.3 | Very high | 91.8 | Very high | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | trans | -62.2 | 141.2 | -171.7 | -70.1 | -61.4 | 104.3 | 0 | 0 | 114.1 | Y291 C296 K297 G318 R322 C330 T341 P509 F511 | Y291-M320 HydrophobicContact CD2-CE 3.72Å; Y291-M320 HydrophobicContact CE1-CE 4.42Å; Y291-M320 HydrophobicContact CE2-CE 3.25Å; Y291-M320 HydrophobicContact CG-CE 4.44Å; C296-M320 CarbonylContact C-O 3.58Å; C296-M320 WeakPolarHBondContact CA-O 3.05Å; K297-M320 PolarHBondContact N-O 2.82Å; G318-M320 PolarHBondContact O-N 3.44Å; G318-M320 VanDerWaalsContact O-N 3.14Å; M320-R322 PolarHBondContact O-N 3.16Å; M320-C330 HydrophobicContact CE-CB 4.04Å; M320-C330 HydrophobicContact CG-CB 4.07Å; M320-C330 HydrophobicContact SD-CB 4.07Å; M320-T341 HydrophobicContact CE-CG2 3.54Å; M320-T341 HydrophobicContact SD-CG2 4.12Å; M320-P509 HydrophobicContact SD-CG 4.27Å; M320-F511 HydrophobicContact SD-CE1 3.79Å; M320-F511 HydrophobicContact SD-CZ 3.91Å | ||
| 321 | P | 94.3 | Very high | 92.6 | Very high | 11 Ų | 11 | 37.8 Ų | 37.8 | 7% | 0.071 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -55 | 118.4 | 172.1 | -27.4 | 35.6 | 0 | 0 | 0 | 112.2 | F294 A323 S324 Y325 G326 | F294-P321 HydrophobicContact CB-CB 4.47Å; P321-A323 VanDerWaalsContact C-N 3.29Å; P321-A323 PolarHBondContact O-N 3.34Å; P321-S324 PolarHBondContact O-N 2.75Å; P321-Y325 HydrophobicContact CB-CD2 4.24Å; P321-Y325 HydrophobicContact CG-CD2 4.16Å; P321-Y325 PolarHBondContact O-N 3.1Å; P321-G326 PolarHBondContact O-N 2.73Å |
| 322 | R | 91.9 | Very high | 93 | Very high | 133 Ų | 133 | 37.5 Ų | 37.5 | 50% | 0.502 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -30.3 | -163.6 | -171.2 | 177.8 | -63 | -130.5 | -0 | 113.9 | P295 C296 K297 M320 | P295-R322 WeakPolarHBondContact O-CB 3.39Å; P295-R322 PolarHBondContact O-N 2.75Å; C296-R322 PolarHBondContact O-NE 2.77Å; C296-R322 PolarHBondContact O-NH2 3.36Å; K297-R322 HydrophobicContact CG-CG 4.36Å; M320-R322 PolarHBondContact O-N 3.16Å |
| 323 | A | 90 | Very high | 93.2 | Very high | 105 Ų | 105 | 35.5 Ų | 35.5 | 87% | 0.868 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | -36.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P321 | P321-A323 VanDerWaalsContact C-N 3.29Å; P321-A323 PolarHBondContact O-N 3.34Å |
| 324 | S | 90.6 | Very high | 93.1 | Very high | 81 Ų | 81 | 37.6 Ų | 37.6 | 57% | 0.566 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.5 | -33 | -170.5 | -50 | 0 | 0 | 0 | 0 | 113.7 | P321 | P321-S324 PolarHBondContact O-N 2.75Š|
| 325 | Y | 92.3 | Very high | 92.9 | Very high | 53 Ų | 53 | 39 Ų | 39 | 21% | 0.208 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -133.9 | 20 | -171.2 | -52.8 | -70.3 | 0 | 0 | 0 | 112.2 | P321 D327 R328 P509 F511 | P321-Y325 HydrophobicContact CB-CD2 4.24Å; P321-Y325 HydrophobicContact CG-CD2 4.16Å; P321-Y325 PolarHBondContact O-N 3.1Å; Y325-D327 PolarHBondContact O-N 2.88Å; Y325-R328 HydrophobicContact CD1-CG 4.42Å; Y325-R328 PolarHBondContact O-N 3.34Å; Y325-P509 HydrophobicContact CD2-CG 4.33Å; Y325-P509 HydrophobicContact CE2-CG 4.43Å; Y325-F511 AromaticContact CD1-CE2 3.6Å; Y325-F511 HydrophobicContact CD1-CE2 3.6Å; Y325-F511 AromaticContact CD1-CZ 3.6Å; Y325-F511 HydrophobicContact CD1-CZ 3.6Å; Y325-F511 HydrophobicContact CD2-CE2 4.35Å; Y325-F511 HydrophobicContact CD2-CZ 4.2Å; Y325-F511 HydrophobicContact CE1-CD2 4.45Å; Y325-F511 AromaticContact CE1-CE2 3.46Å; Y325-F511 HydrophobicContact CE1-CE2 3.46Å; Y325-F511 VanDerWaalsContact CE1-CE2 3.46Å; Y325-F511 AromaticContact CE1-CZ 3.98Å; Y325-F511 HydrophobicContact CE1-CZ 3.98Å; Y325-F511 HydrophobicContact CE2-CE2 4.24Å; Y325-F511 HydrophobicContact CG-CE2 4.05Å; Y325-F511 AromaticContact CG-CZ 3.71Å; Y325-F511 HydrophobicContact CG-CZ 3.71Å; Y325-F511 AromaticContact CZ-CE2 3.81Å |
| 326 | G | 87.4 | Confident | 92.4 | Very high | 16 Ų | 16 | 44.9 Ų | 44.9 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | K297 P321 | K297-G326 WeakPolarHBondContact CE-O 3.4Å; K297-G326 PolarHBondContact NZ-O 2.72Å; P321-G326 PolarHBondContact O-N 2.73Å |
| 327 | D | 88.3 | Confident | 91.9 | Very high | 122 Ų | 122 | 54.6 Ų | 54.6 | 65% | 0.652 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -18.7 | 176.9 | 63 | -27.7 | 0 | 0 | 0 | 113.8 | Y325 H329 | Y325-D327 PolarHBondContact O-N 2.88Å; D327-H329 PolarHBondContact O-CE1 2.9Å |
| 328 | R | 90 | Very high | 91.5 | Very high | 100 Ų | 100 | 58.9 Ų | 58.9 | 38% | 0.377 | 31% | 0.306 | S | S | . | . | trans | -64.7 | 158.4 | 179.8 | -61.8 | -67 | -175.8 | 116.7 | 13.4 | 112.6 | Y325 C330 D343 | Y325-R328 HydrophobicContact CD1-CG 4.42Å; Y325-R328 PolarHBondContact O-N 3.34Å; R328-C330 VanDerWaalsContact CB-SG 3.53Å; R328-D343 WeakPolarHBondContact CD-OD1 3.45Å; R328-D343 IonicContact CZ-OD2 3.53Å; R328-D343 IonicContact NH1-OD2 2.65Å; R328-D343 PolarHBondContact NH1-OD2 2.9Å | ||
| 329 | H | 93.8 | Very high | 91.5 | Very high | 65 Ų | 65 | 59.5 Ų | 59.5 | 30% | 0.301 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 94.2 | 179.8 | -64.3 | -24.3 | 0 | 0 | 0 | 108.7 | D327 F344 S346 R347 | D327-H329 PolarHBondContact O-CE1 2.9Å; H329-F344 HydrophobicContact CB-CB 4.37Å; H329-F344 WeakPolarHBondContact O-CB 3.32Å; H329-F344 VanDerWaalsContact O-CD2 3.3Å; H329-F344 WeakPolarHBondContact O-CD2 3.38Å; H329-F344 PolarHBondContact O-N 2.94Å; H329-S346 WeakPolarHBondContact CB-O 3.27Å; H329-S346 PolarHBondContact CD2-O 3Å; H329-R347 VanDerWaalsContact CD2-CA 3.46Å; H329-R347 WeakPolarHBondContact CD2-CA 3.47Å; H329-R347 PolarHBondContact CD2-N 3.46Å; H329-R347 VanDerWaalsContact CD2-N 3.3Å |
| 330 | C | 94.8 | Very high | 91.6 | Very high | 7 Ų | 7 | 61 Ų | 61 | 5% | 0.047 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 144.4 | -165.1 | -54.5 | 0 | 0 | 0 | 0 | 114.5 | G318 M320 R328 T341 L342 | G318-C330 PolarHBondContact N-O 2.93Å; M320-C330 HydrophobicContact CE-CB 4.04Å; M320-C330 HydrophobicContact CG-CB 4.07Å; M320-C330 HydrophobicContact SD-CB 4.07Å; R328-C330 VanDerWaalsContact CB-SG 3.53Å; C330-T341 HydrophobicContact CB-CG2 3.88Å; C330-L342 WeakPolarHBondContact CA-O 3.06Å |
| 331 | L | 96.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 121.8 | 165.8 | -169.2 | 163.9 | 0 | 0 | 0 | 108.2 | Y316 I333 L342 F344 F351 L369 V371 | Y316-L331 CarbonylContact O-C 3.55Å; Y316-L331 WeakPolarHBondContact O-CA 3.18Å; L331-I333 HydrophobicContact CD2-CG1 4.03Å; L331-L342 HydrophobicContact CD2-CD1 4.29Å; L331-L342 PolarHBondContact N-O 2.72Å; L331-L342 VanDerWaalsContact N-O 3.08Å; L331-L342 VanDerWaalsContact O-CB 3.25Å; L331-L342 WeakPolarHBondContact O-CB 3.3Å; L331-L342 WeakPolarHBondContact O-CG 3.21Å; L331-L342 PolarHBondContact O-N 3.1Å; L331-F344 HydrophobicContact CB-CE2 3.83Å; L331-F351 HydrophobicContact CD1-CB 3.86Å; L331-F351 HydrophobicContact CD1-CD1 3.68Å; L331-F351 HydrophobicContact CD1-CD2 3.76Å; L331-F351 HydrophobicContact CD1-CE1 4.11Å; L331-F351 HydrophobicContact CD1-CE2 4.16Å; L331-F351 HydrophobicContact CD1-CG 3.5Å; L331-F351 VanDerWaalsContact CD1-CG 3.5Å; L331-F351 HydrophobicContact CD1-CZ 4.33Å; L331-L369 HydrophobicContact CD1-CD1 4.41Å; L331-L369 HydrophobicContact CD1-CD2 4.21Å; L331-L369 HydrophobicContact CD2-CD2 3.82Å; L331-V371 HydrophobicContact CD1-CG1 4.18Å; L331-V371 HydrophobicContact CD1-CG2 3.83Å |
| 332 | T | 96.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 134.8 | 177.7 | -47.9 | 0 | 0 | 0 | 0 | 110.3 | Y291 L315 Y316 H339 V340 | Y291-T332 WeakPolarHBondContact OH-CG2 3.33Å; Y291-T332 PolarHBondContact OH-OG1 2.62Å; L315-T332 WeakPolarHBondContact CA-O 3.49Å; Y316-T332 HydrophobicContact CE1-CG2 3.83Å; Y316-T332 HydrophobicContact CE2-CG2 4.3Å; Y316-T332 WeakPolarHBondContact CE2-OG1 3.41Å; Y316-T332 VanDerWaalsContact CZ-CB 3.46Å; Y316-T332 PolarHBondContact N-O 2.78Å; Y316-T332 PolarHBondContact O-N 2.68Å; T332-H339 WeakPolarHBondContact CG2-NE2 3.29Å; T332-V340 WeakPolarHBondContact CA-O 3.34Å |
| 333 | I | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 131.5 | 163.8 | -51.1 | 176.3 | 0 | 0 | 0 | 107.7 | V313 L315 L331 V340 L342 L369 L382 W387 | V313-I333 HydrophobicContact CG1-CG2 4.01Å; L315-I333 HydrophobicContact CD2-CG1 4.3Å; L331-I333 HydrophobicContact CD2-CG1 4.03Å; I333-V340 PolarHBondContact N-O 2.96Å; I333-V340 PolarHBondContact O-N 2.73Å; I333-L342 HydrophobicContact CD1-CD1 3.96Å; I333-L342 HydrophobicContact CG1-CD1 4.27Å; I333-L369 HydrophobicContact CD1-CD2 3.8Å; I333-L369 HydrophobicContact CG1-CD2 4.24Å; I333-L382 HydrophobicContact CD1-CD2 3.96Å; I333-W387 HydrophobicContact CB-CE3 4Å; I333-W387 HydrophobicContact CB-CH2 4.06Å; I333-W387 HydrophobicContact CB-CZ3 3.59Å; I333-W387 HydrophobicContact CD1-CD2 4.46Å; I333-W387 HydrophobicContact CD1-CE3 4.08Å; I333-W387 HydrophobicContact CG2-CD2 4.36Å; I333-W387 HydrophobicContact CG2-CE3 3.97Å; I333-W387 HydrophobicContact CG2-CH2 3.5Å; I333-W387 HydrophobicContact CG2-CZ2 3.89Å; I333-W387 HydrophobicContact CG2-CZ3 3.53Å |
| 334 | Q | 92.9 | Very high | 92.1 | Very high | 50 Ų | 50 | 49.8 Ų | 49.8 | 23% | 0.234 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 125.6 | -180 | -175 | -179.5 | -7.9 | 0 | 0 | 110.3 | L314 E338 | L314-Q334 HydrophobicContact CB-CB 4.34Å; L314-Q334 PolarHBondContact N-O 2.88Å; L314-Q334 PolarHBondContact O-N 2.82Å; Q334-E338 CarbonylContact C-O 3.59Å; Q334-E338 WeakPolarHBondContact CA-O 3.36Å |
| 335 | Q | 90.9 | Very high | 92.2 | Very high | 36 Ų | 36 | 47.5 Ų | 47.5 | 17% | 0.168 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 126.9 | 174.6 | -174.1 | 177 | 11.7 | 0 | 0 | 109.9 | T309 V313 K337 E338 W387 | T309-Q335 PolarHBondContact OG1-NE2 2.8Å; V313-Q335 HydrophobicContact CG2-CG 4.3Å; Q335-K337 PolarHBondContact O-N 3.1Å; Q335-E338 PolarHBondContact N-O 3.16Å; Q335-E338 PolarHBondContact O-N 2.9Å; Q335-W387 HydrophobicContact CB-CZ2 4.3Å |
| 336 | D | 86.1 | Confident | 92.2 | Very high | 123 Ų | 123 | 45.3 Ų | 45.3 | 66% | 0.658 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 50.6 | -94.3 | -173 | -74 | -59.8 | 0 | 0 | 0 | 113.9 | S311 | S311-D336 WeakPolarHBondContact CB-OD1 3.35Å; S311-D336 WeakPolarHBondContact CB-OD2 3.39Å; S311-D336 PolarHBondContact OG-OD2 3.44Å |
| 337 | K | 84.4 | Confident | 92.6 | Very high | 205 Ų | 205 | 49.8 Ų | 49.8 | 89% | 0.891 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -118.1 | -12.1 | 178.1 | -61.4 | -176.7 | -179.1 | -178.5 | 0 | 112.8 | Q335 H339 | Q335-K337 PolarHBondContact O-N 3.1Å; K337-H339 PolarHBondContact O-N 2.83Å |
| 338 | E | 87.8 | Confident | 93 | Very high | 105 Ų | 105 | 45.2 Ų | 45.2 | 49% | 0.491 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 120.7 | 175.8 | -63.5 | -163.5 | 167.1 | 0 | 0 | 108.6 | Q334 Q335 W387 | Q334-E338 CarbonylContact C-O 3.59Å; Q334-E338 WeakPolarHBondContact CA-O 3.36Å; Q335-E338 PolarHBondContact N-O 3.16Å; Q335-E338 PolarHBondContact O-N 2.9Å; E338-W387 HydrophobicContact CB-CH2 3.88Å; E338-W387 HydrophobicContact CB-CZ2 4.36Å |
| 339 | H | 91.8 | Very high | 93.3 | Very high | 34 Ų | 34 | 42.4 Ų | 42.4 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 114.8 | 179.5 | -173.2 | 136.9 | 0 | 0 | 0 | 106.6 | Y291 T332 K337 W508 P510 | Y291-H339 AromaticContact CE1-CE1 3.9Å; Y291-H339 AromaticContact CE1-NE2 3.37Å; Y291-H339 WeakPolarHBondContact CE1-NE2 3.34Å; Y291-H339 AromaticContact CZ-NE2 3.38Å; Y291-H339 PolarHBondContact OH-NE2 3.32Å; T332-H339 WeakPolarHBondContact CG2-NE2 3.29Å; K337-H339 PolarHBondContact O-N 2.83Å; H339-W508 AromaticContact CE1-CH2 3.65Å; H339-W508 AromaticContact ND1-CH2 3.75Å; H339-P510 HydrophobicContact CB-CG 4.46Å; H339-P510 WeakPolarHBondContact O-CG 3.28Å |
| 340 | V | 94.1 | Very high | 93.4 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 18% | 0.182 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 124.5 | -178.7 | -177 | 0 | 0 | 0 | 0 | 109.9 | T332 I333 L342 W387 R512 | T332-V340 WeakPolarHBondContact CA-O 3.34Å; I333-V340 PolarHBondContact N-O 2.96Å; I333-V340 PolarHBondContact O-N 2.73Å; V340-L342 HydrophobicContact CG1-CD2 3.94Å; V340-W387 HydrophobicContact CB-CE3 4.12Å; V340-W387 HydrophobicContact CB-CZ3 3.85Å; V340-W387 HydrophobicContact CG2-CE3 3.92Å; V340-W387 HydrophobicContact CG2-CZ3 3.61Å; V340-R512 HydrophobicContact CG1-CB 3.73Å |
| 341 | T | 95.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 96.7 | 176.6 | -42.5 | 0 | 0 | 0 | 0 | 108.5 | Y291 M320 C330 D343 P509 P510 F511 R512 | Y291-T341 PolarHBondContact OH-OG1 3.44Å; Y291-T341 VanDerWaalsContact OH-OG1 3.07Å; M320-T341 HydrophobicContact CE-CG2 3.54Å; M320-T341 HydrophobicContact SD-CG2 4.12Å; C330-T341 HydrophobicContact CB-CG2 3.88Å; T341-D343 PolarHBondContact O-N 2.8Å; T341-P509 HydrophobicContact CG2-CB 4.35Å; T341-P510 WeakPolarHBondContact CA-O 3.37Å; T341-P510 VanDerWaalsContact CB-O 3.26Å; T341-P510 WeakPolarHBondContact CB-O 3.42Å; T341-P510 PolarHBondContact N-O 2.81Å; T341-P510 WeakPolarHBondContact OG1-CD 3.28Å; T341-P510 PolarHBondContact OG1-O 3.33Å; T341-F511 HydrophobicContact CG2-CD1 3.73Å; T341-F511 HydrophobicContact CG2-CE1 3.66Å; T341-F511 CarbonylContact O-C 3.25Å; T341-F511 WeakPolarHBondContact O-CA 3.36Å; T341-R512 PolarHBondContact O-N 2.93Å |
| 342 | L | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 121.9 | 175.9 | -50.3 | 177.6 | 0 | 0 | 0 | 108.6 | C330 L331 I333 V340 F344 L369 I380 R512 V514 | C330-L342 WeakPolarHBondContact CA-O 3.06Å; L331-L342 HydrophobicContact CD2-CD1 4.29Å; L331-L342 PolarHBondContact N-O 2.72Å; L331-L342 VanDerWaalsContact N-O 3.08Å; L331-L342 VanDerWaalsContact O-CB 3.25Å; L331-L342 WeakPolarHBondContact O-CB 3.3Å; L331-L342 WeakPolarHBondContact O-CG 3.21Å; L331-L342 PolarHBondContact O-N 3.1Å; I333-L342 HydrophobicContact CD1-CD1 3.96Å; I333-L342 HydrophobicContact CG1-CD1 4.27Å; V340-L342 HydrophobicContact CG1-CD2 3.94Å; L342-F344 HydrophobicContact CB-CE1 4.33Å; L342-F344 HydrophobicContact CB-CE2 3.96Å; L342-F344 HydrophobicContact CB-CZ 3.71Å; L342-F344 HydrophobicContact CD1-CZ 4.01Å; L342-L369 HydrophobicContact CD1-CD2 4.15Å; L342-I380 HydrophobicContact CD1-CD1 3.39Å; L342-I380 HydrophobicContact CD2-CD1 4.21Å; L342-I380 HydrophobicContact CG-CD1 4.45Å; L342-R512 WeakPolarHBondContact CA-O 3.24Å; L342-R512 VanDerWaalsContact CD2-NH2 3.29Å; L342-V514 HydrophobicContact CD2-CG2 4.03Å |
| 343 | D | 94.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 42.3 Ų | 42.3 | 8% | 0.075 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 127.9 | 177.5 | -175.1 | 44.5 | 0 | 0 | 0 | 110.7 | R328 T341 F511 R512 K513 V514 | R328-D343 WeakPolarHBondContact CD-OD1 3.45Å; R328-D343 IonicContact CZ-OD2 3.53Å; R328-D343 IonicContact NH1-OD2 2.65Å; R328-D343 PolarHBondContact NH1-OD2 2.9Å; T341-D343 PolarHBondContact O-N 2.8Å; D343-F511 HydrophobicContact CB-CD1 4.17Å; D343-R512 PolarHBondContact N-O 3.4Å; D343-K513 WeakPolarHBondContact O-CA 3.49Å; D343-V514 PolarHBondContact O-N 3.23Å |
| 344 | F | 94.8 | Very high | 93.4 | Very high | 5 Ų | 5 | 43.3 Ų | 43.3 | 2% | 0.022 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 146.6 | -174.1 | -57.9 | -65.9 | 0 | 0 | 0 | 111.7 | H329 L331 L342 S346 V348 V371 L373 V378 V514 | H329-F344 HydrophobicContact CB-CB 4.37Å; H329-F344 WeakPolarHBondContact O-CB 3.32Å; H329-F344 VanDerWaalsContact O-CD2 3.3Å; H329-F344 WeakPolarHBondContact O-CD2 3.38Å; H329-F344 PolarHBondContact O-N 2.94Å; L331-F344 HydrophobicContact CB-CE2 3.83Å; L342-F344 HydrophobicContact CB-CE1 4.33Å; L342-F344 HydrophobicContact CB-CE2 3.96Å; L342-F344 HydrophobicContact CB-CZ 3.71Å; L342-F344 HydrophobicContact CD1-CZ 4.01Å; F344-S346 VanDerWaalsContact C-N 3.3Å; F344-S346 PolarHBondContact O-N 3.28Å; F344-V348 HydrophobicContact CD2-CG2 3.74Å; F344-V348 HydrophobicContact CE2-CG2 4.07Å; F344-V371 HydrophobicContact CE2-CG1 4.19Å; F344-V371 HydrophobicContact CZ-CG1 4.19Å; F344-V371 HydrophobicContact CZ-CG2 4.38Å; F344-L373 HydrophobicContact CB-CD1 3.84Å; F344-L373 HydrophobicContact CB-CD2 4.05Å; F344-L373 HydrophobicContact CD1-CD1 3.61Å; F344-L373 HydrophobicContact CD1-CD2 4.16Å; F344-L373 HydrophobicContact CD1-CG 4.49Å; F344-L373 HydrophobicContact CD2-CD2 3.79Å; F344-L373 HydrophobicContact CE1-CD1 4.3Å; F344-L373 HydrophobicContact CE2-CD2 4.23Å; F344-L373 HydrophobicContact CG-CD1 3.8Å; F344-L373 HydrophobicContact CG-CD2 3.74Å; F344-L373 HydrophobicContact CG-CG 4.45Å; F344-V378 HydrophobicContact CE1-CB 4.43Å; F344-V378 HydrophobicContact CE1-CG1 4.3Å; F344-V378 HydrophobicContact CE1-CG2 4.19Å; F344-V514 HydrophobicContact CD1-CB 4.29Å; F344-V514 WeakPolarHBondContact CD1-O 3.32Å; F344-V514 HydrophobicContact CE1-CB 3.88Å; F344-V514 HydrophobicContact CE1-CG1 3.93Å |
| 345 | T | 92.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 43 Ų | 43 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -82 | -5.5 | -179.9 | 52.5 | 0 | 0 | 0 | 0 | 114.3 | K513 F517 | T345-K513 VanDerWaalsContact CG2-CE 3.48Å; T345-F517 WeakPolarHBondContact CB-O 3.48Å; T345-F517 WeakPolarHBondContact CG2-O 3.3Å; T345-F517 PolarHBondContact OG1-O 3.18Å |
| 346 | S | 93.9 | Very high | 92.8 | Very high | 8 Ų | 8 | 43.3 Ų | 43.3 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -141.3 | 160.3 | 175.8 | 64.5 | 0 | 0 | 0 | 0 | 110.5 | H329 F344 V348 L373 E375 | H329-S346 WeakPolarHBondContact CB-O 3.27Å; H329-S346 PolarHBondContact CD2-O 3Å; F344-S346 VanDerWaalsContact C-N 3.3Å; F344-S346 PolarHBondContact O-N 3.28Å; S346-V348 PolarHBondContact O-N 3.26Å; S346-L373 WeakPolarHBondContact OG-CB 3.25Å; S346-E375 PolarHBondContact OG-N 3.4Å |
| 347 | R | 94.5 | Very high | 92.5 | Very high | 110 Ų | 110 | 42.5 Ų | 42.5 | 42% | 0.415 | 20% | 0.203 | S | C | . | . | trans | -65 | 134.5 | -170 | -161.3 | -168.4 | -46 | 104 | 16.8 | 110.9 | H329 I349 L373 E374 | H329-R347 VanDerWaalsContact CD2-CA 3.46Å; H329-R347 WeakPolarHBondContact CD2-CA 3.47Å; H329-R347 PolarHBondContact CD2-N 3.46Å; H329-R347 VanDerWaalsContact CD2-N 3.3Å; R347-I349 PolarHBondContact O-N 3.44Å; R347-L373 CarbonylContact O-C 3.5Å; R347-L373 VanDerWaalsContact O-CA 3.27Å; R347-L373 WeakPolarHBondContact O-CA 3.14Å; R347-E374 HydrophobicContact CB-CB 4.38Å; R347-E374 IonicContact CZ-OE1 3.55Å; R347-E374 IonicContact CZ-OE2 3.97Å; R347-E374 IonicContact NH1-OE1 3.35Å; R347-E374 PolarHBondContact NH1-OE1 2.97Å; R347-E374 IonicContact NH1-OE2 3.1Å; R347-E374 PolarHBondContact NH1-OE2 3.02Å; R347-E374 VanDerWaalsContact NH1-OE2 3.11Å; R347-E374 IonicContact NH2-OE1 3.13Å; R347-E374 PolarHBondContact NH2-OE1 3.04Å; R347-E374 IonicContact NH2-OE2 2.68Å; R347-E374 PolarHBondContact NH2-OE2 2.78Å; R347-E374 PolarHBondContact O-N 3.49Å | ||
| 348 | V | 96.4 | Very high | 92.2 | Very high | 25 Ų | 25 | 37 Ų | 37 | 15% | 0.152 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 124.2 | 165.2 | -175.9 | 0 | 0 | 0 | 0 | 108.4 | F344 S346 F351 V371 L373 | F344-V348 HydrophobicContact CD2-CG2 3.74Å; F344-V348 HydrophobicContact CE2-CG2 4.07Å; S346-V348 PolarHBondContact O-N 3.26Å; V348-F351 HydrophobicContact CG1-CD1 4.39Å; V348-V371 HydrophobicContact CG1-CG1 4.05Å; V348-V371 HydrophobicContact CG2-CG1 4.49Å; V348-L373 HydrophobicContact CB-CD2 4.26Å; V348-L373 HydrophobicContact CG2-CD2 3.76Å |
| 349 | I | 96.4 | Very high | 91.4 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 21% | 0.21 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | -58.7 | 172.7 | -59.7 | -59.4 | 0 | 0 | 0 | 108.3 | P37 R347 L372 E374 | P37-I349 HydrophobicContact CG-CG1 4.27Å; R347-I349 PolarHBondContact O-N 3.44Å; I349-L372 HydrophobicContact CB-CD2 4.35Å; I349-L372 HydrophobicContact CB-CG 4.29Å; I349-L372 WeakPolarHBondContact CB-O 3.46Å; I349-L372 HydrophobicContact CG2-CD2 4.2Å; I349-L372 PolarHBondContact N-O 3.42Å; I349-E374 HydrophobicContact CD1-CB 4.05Å; I349-E374 HydrophobicContact CD1-CG 4.44Å; I349-E374 HydrophobicContact CG1-CB 4.33Å |
| 350 | D | 96.6 | Very high | 90.5 | Very high | 42 Ų | 42 | 43.5 Ų | 43.5 | 23% | 0.225 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 169.3 | 169.9 | -165.4 | 28.2 | 0 | 0 | 0 | 112.3 | L40 K301 L372 | L40-D350 HydrophobicContact CB-CB 3.99Å; L40-D350 HydrophobicContact CD2-CB 4.3Å; K301-D350 WeakPolarHBondContact CD-OD1 3.29Å; K301-D350 WeakPolarHBondContact CE-OD1 3.37Å; K301-D350 IonicContact NZ-OD1 2.75Å; K301-D350 PolarHBondContact NZ-OD1 3.4Å; K301-D350 IonicContact NZ-OD2 2.8Å; K301-D350 PolarHBondContact NZ-OD2 3.38Å; D350-L372 PolarHBondContact N-O 2.83Å; D350-L372 PolarHBondContact O-N 2.83Å |
| 351 | F | 97.4 | Very high | 89.9 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 155.3 | 176.8 | 67 | -82.8 | 0 | 0 | 0 | 113.5 | K301 L303 L315 L331 V348 L369 V370 V371 | K301-F351 HydrophobicContact CB-CE1 3.93Å; K301-F351 HydrophobicContact CB-CZ 4.24Å; K301-F351 HydrophobicContact CD-CD1 4.24Å; K301-F351 HydrophobicContact CD-CE1 3.87Å; K301-F351 HydrophobicContact CD-CZ 4.2Å; K301-F351 HydrophobicContact CG-CE1 4.05Å; K301-F351 HydrophobicContact CG-CZ 4.09Å; K301-F351 PolarHBondContact NZ-O 2.95Å; L303-F351 HydrophobicContact CD1-CD2 3.82Å; L303-F351 HydrophobicContact CD1-CE2 3.56Å; L303-F351 HydrophobicContact CG-CE2 3.84Å; L303-F351 HydrophobicContact CG-CZ 4.47Å; L315-F351 HydrophobicContact CB-CE2 4.15Å; L331-F351 HydrophobicContact CD1-CB 3.86Å; L331-F351 HydrophobicContact CD1-CD1 3.68Å; L331-F351 HydrophobicContact CD1-CD2 3.76Å; L331-F351 HydrophobicContact CD1-CE1 4.11Å; L331-F351 HydrophobicContact CD1-CE2 4.16Å; L331-F351 HydrophobicContact CD1-CG 3.5Å; L331-F351 VanDerWaalsContact CD1-CG 3.5Å; L331-F351 HydrophobicContact CD1-CZ 4.33Å; V348-F351 HydrophobicContact CG1-CD1 4.39Å; F351-L369 HydrophobicContact CB-CD1 4.14Å; F351-L369 HydrophobicContact CD2-CD1 3.81Å; F351-L369 HydrophobicContact CG-CD1 4.41Å; F351-V370 CarbonylContact C-O 3.59Å; F351-V370 WeakPolarHBondContact CA-O 3.37Å; F351-V370 VanDerWaalsContact CB-O 3.31Å; F351-V370 WeakPolarHBondContact CB-O 3.47Å; F351-V371 HydrophobicContact CB-CB 4.39Å; F351-V371 HydrophobicContact CB-CG1 4.27Å; F351-V371 HydrophobicContact CB-CG2 4.21Å |
| 352 | F | 96 | Very high | 89.4 | Confident | 24 Ų | 24 | 55.8 Ų | 55.8 | 11% | 0.105 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 157.7 | 171.5 | 67.4 | -91.5 | 0 | 0 | 0 | 112.4 | L40 F42 M49 I354 V370 I439 | L40-F352 HydrophobicContact CD1-CE1 4.08Å; L40-F352 HydrophobicContact CD2-CD1 3.57Å; L40-F352 HydrophobicContact CD2-CE1 3.82Å; L40-F352 HydrophobicContact CG-CD1 3.97Å; L40-F352 HydrophobicContact CG-CE1 3.98Å; F42-F352 HydrophobicContact CB-CD1 4.16Å; F42-F352 HydrophobicContact CB-CD2 3.86Å; F42-F352 HydrophobicContact CB-CE1 3.88Å; F42-F352 HydrophobicContact CB-CE2 3.55Å; F42-F352 HydrophobicContact CB-CG 4.16Å; F42-F352 HydrophobicContact CB-CZ 3.57Å; F42-F352 AromaticContact CD1-CD2 3.92Å; F42-F352 HydrophobicContact CD1-CD2 3.92Å; F42-F352 AromaticContact CD1-CE2 3.6Å; F42-F352 HydrophobicContact CD1-CE2 3.6Å; F42-F352 HydrophobicContact CD1-CZ 4.37Å; F42-F352 AromaticContact CD2-CE2 3.68Å; F42-F352 HydrophobicContact CD2-CE2 3.68Å; F42-F352 AromaticContact CD2-CZ 3.71Å; F42-F352 HydrophobicContact CD2-CZ 3.71Å; F42-F352 HydrophobicContact CE1-CE2 4.15Å; F42-F352 HydrophobicContact CE2-CE2 4.24Å; F42-F352 HydrophobicContact CE2-CZ 4.48Å; F42-F352 AromaticContact CG-CD2 3.93Å; F42-F352 HydrophobicContact CG-CD2 3.93Å; F42-F352 HydrophobicContact CG-CE1 4.45Å; F42-F352 AromaticContact CG-CE2 3.33Å; F42-F352 HydrophobicContact CG-CE2 3.33Å; F42-F352 AromaticContact CG-CZ 3.65Å; F42-F352 HydrophobicContact CG-CZ 3.65Å; F42-F352 HydrophobicContact CZ-CE2 4.45Å; M49-F352 HydrophobicContact CG-CE1 4.26Å; M49-F352 HydrophobicContact CG-CZ 4.37Å; M49-F352 HydrophobicContact SD-CE1 4.24Å; M49-F352 HydrophobicContact SD-CZ 4.34Å; F352-I354 HydrophobicContact CD2-CG1 4.2Å; F352-I354 HydrophobicContact CE2-CD1 4.17Å; F352-I354 HydrophobicContact CE2-CG1 3.68Å; F352-V370 HydrophobicContact CD1-CB 4.15Å; F352-V370 HydrophobicContact CD1-CG1 4.35Å; F352-V370 HydrophobicContact CD2-CB 4.34Å; F352-V370 HydrophobicContact CD2-CG2 4.49Å; F352-V370 HydrophobicContact CE1-CB 3.72Å; F352-V370 HydrophobicContact CE1-CG1 3.61Å; F352-V370 HydrophobicContact CE1-CG2 4.34Å; F352-V370 HydrophobicContact CE2-CB 3.93Å; F352-V370 HydrophobicContact CE2-CG2 3.78Å; F352-V370 HydrophobicContact CG-CB 4.43Å; F352-V370 HydrophobicContact CZ-CB 3.6Å; F352-V370 HydrophobicContact CZ-CG1 3.71Å; F352-V370 HydrophobicContact CZ-CG2 3.69Å; F352-V370 PolarHBondContact N-O 3.4Å; F352-V370 PolarHBondContact O-N 2.86Å; F352-I439 HydrophobicContact CZ-CD1 4.44Å |
| 353 | T | 95.6 | Very high | 89.1 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 3% | 0.025 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 136.1 | 171.9 | 54.5 | 0 | 0 | 0 | 0 | 110.8 | L303 R305 L315 H355 A368 | L303-T353 HydrophobicContact CD1-CG2 4.09Å; R305-T353 HydrophobicContact CG-CG2 4.32Å; R305-T353 PolarHBondContact NE-OG1 3.42Å; L315-T353 HydrophobicContact CD1-CG2 3.92Å; L315-T353 HydrophobicContact CD2-CG2 3.9Å; T353-H355 PolarHBondContact O-CE1 2.86Å; T353-H355 PolarHBondContact O-ND1 3.47Å; T353-H355 PolarHBondContact OG1-ND1 2.79Å; T353-A368 CarbonylContact C-O 3.6Å; T353-A368 WeakPolarHBondContact CA-O 3.18Å |
| 354 | I | 93.9 | Very high | 88.8 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 11% | 0.108 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 122.8 | 162.4 | -60.9 | 177.2 | 0 | 0 | 0 | 106.6 | F42 F352 P366 S367 A368 V370 P438 I439 | F42-I354 HydrophobicContact CE1-CG1 4.04Å; F42-I354 HydrophobicContact CE2-CD1 4.49Å; F42-I354 HydrophobicContact CZ-CD1 4.15Å; F42-I354 HydrophobicContact CZ-CG1 4.05Å; F352-I354 HydrophobicContact CD2-CG1 4.2Å; F352-I354 HydrophobicContact CE2-CD1 4.17Å; F352-I354 HydrophobicContact CE2-CG1 3.68Å; I354-P366 CarbonylContact O-C 3.52Å; I354-P366 WeakPolarHBondContact O-CA 3.46Å; I354-S367 PolarHBondContact O-N 3.27Å; I354-S367 PolarHBondContact O-OG 3.07Å; I354-A368 HydrophobicContact CB-CB 4.43Å; I354-A368 PolarHBondContact N-O 2.68Å; I354-A368 PolarHBondContact O-N 3.03Å; I354-V370 HydrophobicContact CD1-CG2 3.98Å; I354-V370 HydrophobicContact CG1-CG2 4.35Å; I354-P438 HydrophobicContact CD1-CB 3.64Å; I354-P438 HydrophobicContact CD1-CG 3.65Å; I354-I439 HydrophobicContact CD1-CG1 4.01Å |
| 355 | H | 90 | Very high | 88.5 | Confident | 42 Ų | 42 | 60.2 Ų | 60.2 | 19% | 0.194 | 30% | 0.297 | C | S | . | . | trans | -156.8 | 167.2 | -167.3 | 61.2 | -59 | 0 | 0 | 0 | 109.6 | R305 T353 M357 D364 P366 | R305-H355 PolarHBondContact NE-NE2 3.5Å; T353-H355 PolarHBondContact O-CE1 2.86Å; T353-H355 PolarHBondContact O-ND1 3.47Å; T353-H355 PolarHBondContact OG1-ND1 2.79Å; H355-M357 PolarHBondContact O-N 3.38Å; H355-D364 HydrophobicContact CB-CB 4.46Å; H355-D364 WeakPolarHBondContact CB-O 3.22Å; H355-D364 IonicContact CD2-OD1 2.67Å; H355-P366 HydrophobicContact CB-CB 4.18Å | ||
| 356 | N | 82.1 | Confident | 88.6 | Confident | 43 Ų | 43 | 59.2 Ų | 59.2 | 23% | 0.23 | 29% | 0.291 | C | S | . | . | trans | -76.9 | 122.6 | -175.5 | -166.2 | -16.2 | 0 | 0 | 0 | 112.1 | R255 E358 D364 | R255-N356 PolarHBondContact NH1-O 2.81Å; R255-N356 PolarHBondContact NH2-O 3.13Å; R255-N356 VanDerWaalsContact NH2-O 3.16Å; N356-E358 PolarHBondContact ND2-OE2 2.88Å; N356-E358 VanDerWaalsContact OD1-CB 3.3Å; N356-E358 WeakPolarHBondContact OD1-CB 3.23Å; N356-E358 VanDerWaalsContact OD1-CG 3.27Å; N356-E358 WeakPolarHBondContact OD1-CG 3.47Å; N356-E358 PolarHBondContact OD1-N 2.87Å; N356-D364 PolarHBondContact N-O 3.02Å | ||
| 357 | M | 78.6 | Confident | 88.5 | Confident | 106 Ų | 106 | 59.8 Ų | 59.8 | 52% | 0.522 | 30% | 0.295 | S | S | . | . | trans | -102.7 | 4.1 | -179.5 | -60.7 | -61.2 | -68.3 | 0 | 0 | 114.1 | P44 H355 P359 | P44-M357 HydrophobicContact CB-CG 3.68Å; P44-M357 HydrophobicContact CG-CE 4.38Å; P44-M357 HydrophobicContact CG-CG 3.86Å; H355-M357 PolarHBondContact O-N 3.38Å; M357-P359 WeakPolarHBondContact O-CD 3.44Å | ||
| 358 | E | 78.8 | Confident | 88.5 | Confident | 90 Ų | 90 | 54.5 Ų | 54.5 | 42% | 0.421 | 28% | 0.275 | S | S | . | . | trans | -61.6 | 118 | 173.2 | -69 | 174.1 | 147.6 | 0 | 0 | 110.1 | R255 N356 D360 R361 | R255-E358 PolarHBondContact NH2-O 3.41Å; N356-E358 PolarHBondContact ND2-OE2 2.88Å; N356-E358 VanDerWaalsContact OD1-CB 3.3Å; N356-E358 WeakPolarHBondContact OD1-CB 3.23Å; N356-E358 VanDerWaalsContact OD1-CG 3.27Å; N356-E358 WeakPolarHBondContact OD1-CG 3.47Å; N356-E358 PolarHBondContact OD1-N 2.87Å; E358-D360 PolarHBondContact O-N 2.98Å; E358-R361 HydrophobicContact CB-CB 4.44Å; E358-R361 HydrophobicContact CB-CG 3.67Å; E358-R361 WeakPolarHBondContact O-CB 3.48Å; E358-R361 PolarHBondContact O-N 3.23Å; E358-R361 VanDerWaalsContact O-N 3.15Å; E358-R361 VanDerWaalsContact OE2-CG 3.32Å; E358-R361 WeakPolarHBondContact OE2-CG 3.34Å; E358-R361 IonicContact OE2-CZ 3.32Å; E358-R361 IonicContact OE2-NE 2.73Å; E358-R361 PolarHBondContact OE2-NE 2.8Å; E358-R361 IonicContact OE2-NH2 3.75Å; E358-R361 PolarHBondContact OE2-NH2 2.97Å | ||
| 359 | P | 71.3 | Confident | 88.5 | Confident | 119 Ų | 119 | 53.3 Ų | 53.3 | 77% | 0.773 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -22.3 | -175.7 | 27.3 | -35.2 | 0 | 0 | 0 | 113.2 | M357 R361 | M357-P359 WeakPolarHBondContact O-CD 3.44Å; P359-R361 PolarHBondContact O-N 2.94Å |
| 360 | D | 73.1 | Confident | 88.6 | Confident | 156 Ų | 156 | 51.4 Ų | 51.4 | 83% | 0.834 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -3.4 | 178.8 | -52.2 | -41.2 | 0 | 0 | 0 | 113.4 | E358 | E358-D360 PolarHBondContact O-N 2.98Š|
| 361 | R | 81.8 | Confident | 88.6 | Confident | 126 Ų | 126 | 49.4 Ų | 49.4 | 48% | 0.475 | 25% | 0.247 | S | C | . | . | trans | -96.8 | 132.5 | -179.6 | -65 | -76.1 | -168 | 158.7 | 4.8 | 111.7 | R255 E358 P359 F363 | R255-R361 PolarHBondContact NE-O 2.82Å; R255-R361 PolarHBondContact NH2-O 3.06Å; E358-R361 HydrophobicContact CB-CB 4.44Å; E358-R361 HydrophobicContact CB-CG 3.67Å; E358-R361 WeakPolarHBondContact O-CB 3.48Å; E358-R361 PolarHBondContact O-N 3.23Å; E358-R361 VanDerWaalsContact O-N 3.15Å; E358-R361 VanDerWaalsContact OE2-CG 3.32Å; E358-R361 WeakPolarHBondContact OE2-CG 3.34Å; E358-R361 IonicContact OE2-CZ 3.32Å; E358-R361 IonicContact OE2-NE 2.73Å; E358-R361 PolarHBondContact OE2-NE 2.8Å; E358-R361 IonicContact OE2-NH2 3.75Å; E358-R361 PolarHBondContact OE2-NH2 2.97Å; P359-R361 PolarHBondContact O-N 2.94Å; R361-F363 VanDerWaalsContact C-N 3.32Å; R361-F363 PolarHBondContact O-N 3.15Å | ||
| 362 | E | 83.4 | Confident | 88.6 | Confident | 162 Ų | 162 | 49.3 Ų | 49.3 | 76% | 0.757 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -70.9 | -23.1 | 179.2 | -61.8 | 179.4 | 161.9 | 0 | 0 | 113.9 | ||
| 363 | F | 88.4 | Confident | 88.7 | Confident | 66 Ų | 66 | 48.2 Ų | 48.2 | 29% | 0.289 | 24% | 0.242 | S | C | . | . | trans | -123.8 | 152.2 | -173 | -58.9 | -83.1 | 0 | 0 | 0 | 112.8 | R255 T306 S307 Q308 R361 | R255-F363 VanDerWaalsContact CZ-O 3.26Å; R255-F363 PolarHBondContact NE-O 2.94Å; T306-F363 WeakPolarHBondContact OG1-CA 3.45Å; S307-F363 VanDerWaalsContact O-CD1 3.29Å; S307-F363 WeakPolarHBondContact O-CD1 3.23Å; S307-F363 WeakPolarHBondContact O-CE1 3.48Å; Q308-F363 HydrophobicContact CG-CB 4.1Å; Q308-F363 HydrophobicContact CG-CD2 3.6Å; Q308-F363 HydrophobicContact CG-CE2 4.24Å; Q308-F363 HydrophobicContact CG-CG 3.87Å; R361-F363 VanDerWaalsContact C-N 3.32Å; R361-F363 PolarHBondContact O-N 3.15Å | ||
| 364 | D | 88.4 | Confident | 88.7 | Confident | 7 Ų | 7 | 49.6 Ų | 49.6 | 4% | 0.037 | 25% | 0.249 | C | C | . | . | trans | -78.3 | -39.5 | 175.1 | -64.8 | -53 | 0 | 0 | 0 | 112.2 | R255 R305 T306 H355 N356 | R255-D364 WeakPolarHBondContact CD-OD1 3.34Å; R255-D364 IonicContact CZ-OD1 3.89Å; R255-D364 IonicContact NE-OD1 3.28Å; R255-D364 IonicContact NH1-OD1 3.95Å; R255-D364 PolarHBondContact NH1-OD1 3.06Å; R305-D364 VanDerWaalsContact CA-OD2 3.28Å; R305-D364 WeakPolarHBondContact CA-OD2 3.37Å; R305-D364 HydrophobicContact CB-CB 4.07Å; T306-D364 PolarHBondContact N-OD2 3.3Å; T306-D364 WeakPolarHBondContact O-CA 3.5Å; T306-D364 WeakPolarHBondContact O-CB 3.43Å; T306-D364 PolarHBondContact O-N 3.27Å; T306-D364 PolarHBondContact OG1-N 2.89Å; T306-D364 VanDerWaalsContact OG1-N 3.13Å; T306-D364 PolarHBondContact OG1-OD2 2.89Å; H355-D364 HydrophobicContact CB-CB 4.46Å; H355-D364 WeakPolarHBondContact CB-O 3.22Å; H355-D364 IonicContact CD2-OD1 2.67Å; N356-D364 PolarHBondContact N-O 3.02Å | ||
| 365 | D | 90.4 | Very high | 88.8 | Confident | 40 Ų | 40 | 51 Ų | 51 | 21% | 0.214 | 25% | 0.254 | C | S | . | . | trans | 45.1 | 67.2 | -179.2 | -59.3 | -45.6 | 0 | 0 | 0 | 113.3 | T306 S307 Q308 S367 | T306-D365 PolarHBondContact O-N 2.89Å; S307-D365 WeakPolarHBondContact CA-OD1 3.09Å; Q308-D365 PolarHBondContact N-OD1 2.84Å; Q308-D365 PolarHBondContact NE2-OD2 3.01Å; D365-S367 PolarHBondContact O-N 3.19Å | ||
| 366 | P | 92.8 | Very high | 89 | Confident | 10 Ų | 10 | 49.2 Ų | 49.2 | 7% | 0.065 | 25% | 0.246 | C | C | . | . | trans | -65.7 | 128.4 | -175.1 | 29.8 | -36 | 0 | 0 | 0 | 111.6 | R305 V313 I354 H355 L382 | R305-P366 HydrophobicContact CB-CB 4.37Å; R305-P366 HydrophobicContact CB-CG 3.86Å; R305-P366 HydrophobicContact CG-CB 4.39Å; R305-P366 HydrophobicContact CG-CG 4.37Å; V313-P366 HydrophobicContact CB-CG 4.14Å; V313-P366 HydrophobicContact CG2-CG 3.75Å; I354-P366 CarbonylContact O-C 3.52Å; I354-P366 WeakPolarHBondContact O-CA 3.46Å; H355-P366 HydrophobicContact CB-CB 4.18Å; P366-L382 HydrophobicContact CB-CD1 3.97Å; P366-L382 HydrophobicContact CG-CD1 4.44Å | ||
| 367 | S | 92.6 | Very high | 89.7 | Confident | 20 Ų | 20 | 47.4 Ų | 47.4 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | trans | -100.1 | -33.1 | -174.8 | 63.8 | 0 | 0 | 0 | 0 | 113.5 | I354 D365 L382 | I354-S367 PolarHBondContact O-N 3.27Å; I354-S367 PolarHBondContact O-OG 3.07Å; D365-S367 PolarHBondContact O-N 3.19Å; S367-L382 PolarHBondContact O-N 3.04Å | ||
| 368 | A | 94.9 | Very high | 90.5 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 150.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T353 I354 V379 I380 M435 P438 | T353-A368 CarbonylContact C-O 3.6Å; T353-A368 WeakPolarHBondContact CA-O 3.18Å; I354-A368 HydrophobicContact CB-CB 4.43Å; I354-A368 PolarHBondContact N-O 2.68Å; I354-A368 PolarHBondContact O-N 3.03Å; A368-V379 HydrophobicContact CB-CG1 4.36Å; A368-I380 CarbonylContact C-O 3.55Å; A368-I380 WeakPolarHBondContact CA-O 3.39Å; A368-I380 WeakPolarHBondContact CB-O 3.46Å; A368-M435 HydrophobicContact CB-CE 4.03Å; A368-M435 HydrophobicContact CB-SD 4.09Å; A368-P438 HydrophobicContact CB-CG 4.13Å |
| 369 | L | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 129.3 | 167 | 168.7 | 65.2 | 0 | 0 | 0 | 109 | L315 L331 I333 L342 F351 V371 V379 I380 L382 | L315-L369 HydrophobicContact CD2-CB 4.45Å; L315-L369 HydrophobicContact CD2-CD1 3.98Å; L315-L369 HydrophobicContact CD2-CD2 4.12Å; L315-L369 HydrophobicContact CD2-CG 4.4Å; L331-L369 HydrophobicContact CD1-CD1 4.41Å; L331-L369 HydrophobicContact CD1-CD2 4.21Å; L331-L369 HydrophobicContact CD2-CD2 3.82Å; I333-L369 HydrophobicContact CD1-CD2 3.8Å; I333-L369 HydrophobicContact CG1-CD2 4.24Å; L342-L369 HydrophobicContact CD1-CD2 4.15Å; F351-L369 HydrophobicContact CB-CD1 4.14Å; F351-L369 HydrophobicContact CD2-CD1 3.81Å; F351-L369 HydrophobicContact CG-CD1 4.41Å; L369-V371 HydrophobicContact CD1-CG2 4.04Å; L369-V371 HydrophobicContact CD2-CG2 3.84Å; L369-V371 HydrophobicContact CG-CG2 3.69Å; L369-V379 CarbonylContact O-C 3.6Å; L369-V379 WeakPolarHBondContact O-CA 3.47Å; L369-I380 HydrophobicContact CB-CB 4.4Å; L369-I380 HydrophobicContact CD2-CD1 4.46Å; L369-I380 PolarHBondContact N-O 3.19Å; L369-I380 PolarHBondContact O-N 2.85Å; L369-L382 HydrophobicContact CB-CD1 4.13Å; L369-L382 HydrophobicContact CB-CD2 4.24Å; L369-L382 HydrophobicContact CB-CG 4.31Å |
| 370 | V | 97.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 124.4 | 172.5 | -179.9 | 0 | 0 | 0 | 0 | 108.4 | M49 F351 F352 I354 L377 V379 I439 | M49-V370 HydrophobicContact SD-CG1 4.09Å; F351-V370 CarbonylContact C-O 3.59Å; F351-V370 WeakPolarHBondContact CA-O 3.37Å; F351-V370 VanDerWaalsContact CB-O 3.31Å; F351-V370 WeakPolarHBondContact CB-O 3.47Å; F352-V370 HydrophobicContact CD1-CB 4.15Å; F352-V370 HydrophobicContact CD1-CG1 4.35Å; F352-V370 HydrophobicContact CD2-CB 4.34Å; F352-V370 HydrophobicContact CD2-CG2 4.49Å; F352-V370 HydrophobicContact CE1-CB 3.72Å; F352-V370 HydrophobicContact CE1-CG1 3.61Å; F352-V370 HydrophobicContact CE1-CG2 4.34Å; F352-V370 HydrophobicContact CE2-CB 3.93Å; F352-V370 HydrophobicContact CE2-CG2 3.78Å; F352-V370 HydrophobicContact CG-CB 4.43Å; F352-V370 HydrophobicContact CZ-CB 3.6Å; F352-V370 HydrophobicContact CZ-CG1 3.71Å; F352-V370 HydrophobicContact CZ-CG2 3.69Å; F352-V370 PolarHBondContact N-O 3.4Å; F352-V370 PolarHBondContact O-N 2.86Å; I354-V370 HydrophobicContact CD1-CG2 3.98Å; I354-V370 HydrophobicContact CG1-CG2 4.35Å; V370-L377 HydrophobicContact CG1-CD1 3.92Å; V370-V379 HydrophobicContact CG1-CG2 4.27Å; V370-V379 HydrophobicContact CG2-CG1 4.08Å; V370-V379 HydrophobicContact CG2-CG2 4.14Å; V370-I439 HydrophobicContact CG2-CD1 4.28Å |
| 371 | V | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 119.2 | -179 | -167.3 | 0 | 0 | 0 | 0 | 109.3 | L331 F344 V348 F351 L369 L373 V378 | L331-V371 HydrophobicContact CD1-CG1 4.18Å; L331-V371 HydrophobicContact CD1-CG2 3.83Å; F344-V371 HydrophobicContact CE2-CG1 4.19Å; F344-V371 HydrophobicContact CZ-CG1 4.19Å; F344-V371 HydrophobicContact CZ-CG2 4.38Å; V348-V371 HydrophobicContact CG1-CG1 4.05Å; V348-V371 HydrophobicContact CG2-CG1 4.49Å; F351-V371 HydrophobicContact CB-CB 4.39Å; F351-V371 HydrophobicContact CB-CG1 4.27Å; F351-V371 HydrophobicContact CB-CG2 4.21Å; L369-V371 HydrophobicContact CD1-CG2 4.04Å; L369-V371 HydrophobicContact CD2-CG2 3.84Å; L369-V371 HydrophobicContact CG-CG2 3.69Å; V371-L373 HydrophobicContact CG1-CD2 3.68Å; V371-L373 HydrophobicContact CG1-CG 4.43Å; V371-V378 HydrophobicContact CB-CB 4.39Å; V371-V378 PolarHBondContact N-O 2.92Å; V371-V378 PolarHBondContact O-N 3.31Å |
| 372 | L | 97.9 | Very high | 93.9 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 117.9 | 170.4 | -176.5 | 66.9 | 0 | 0 | 0 | 108.9 | F33 P37 L40 I51 I349 D350 L377 | F33-L372 HydrophobicContact CE2-CD1 3.77Å; F33-L372 HydrophobicContact CZ-CD1 3.69Å; P37-L372 HydrophobicContact CB-CD1 4.23Å; P37-L372 HydrophobicContact CB-CD2 3.87Å; P37-L372 HydrophobicContact CB-CG 4.19Å; P37-L372 HydrophobicContact CG-CD1 4.37Å; P37-L372 HydrophobicContact CG-CG 4.42Å; L40-L372 HydrophobicContact CB-CB 4.48Å; L40-L372 HydrophobicContact CB-CD2 3.9Å; L40-L372 HydrophobicContact CD1-CB 4.2Å; L40-L372 HydrophobicContact CD1-CD2 4.06Å; L40-L372 HydrophobicContact CD2-CB 3.83Å; L40-L372 HydrophobicContact CG-CB 4.4Å; L40-L372 HydrophobicContact CG-CD2 4.43Å; I51-L372 HydrophobicContact CD1-CD1 3.93Å; I51-L372 HydrophobicContact CG1-CD1 4.34Å; I51-L372 HydrophobicContact CG1-CD2 4.33Å; I51-L372 HydrophobicContact CG2-CD2 4.18Å; I349-L372 HydrophobicContact CB-CD2 4.35Å; I349-L372 HydrophobicContact CB-CG 4.29Å; I349-L372 WeakPolarHBondContact CB-O 3.46Å; I349-L372 HydrophobicContact CG2-CD2 4.2Å; I349-L372 PolarHBondContact N-O 3.42Å; D350-L372 PolarHBondContact N-O 2.83Å; D350-L372 PolarHBondContact O-N 2.83Å; L372-L377 HydrophobicContact CB-CD1 4.47Å; L372-L377 HydrophobicContact CD1-CD1 4.16Å |
| 373 | L | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 169.3 | 172.2 | -48.6 | 176.1 | 0 | 0 | 0 | 109.8 | F33 P37 F344 S346 R347 V348 V371 E375 E376 V378 | F33-L373 WeakPolarHBondContact CZ-O 3.2Å; P37-L373 VanDerWaalsContact CG-O 3.32Å; P37-L373 WeakPolarHBondContact CG-O 3.15Å; F344-L373 HydrophobicContact CB-CD1 3.84Å; F344-L373 HydrophobicContact CB-CD2 4.05Å; F344-L373 HydrophobicContact CD1-CD1 3.61Å; F344-L373 HydrophobicContact CD1-CD2 4.16Å; F344-L373 HydrophobicContact CD1-CG 4.49Å; F344-L373 HydrophobicContact CD2-CD2 3.79Å; F344-L373 HydrophobicContact CE1-CD1 4.3Å; F344-L373 HydrophobicContact CE2-CD2 4.23Å; F344-L373 HydrophobicContact CG-CD1 3.8Å; F344-L373 HydrophobicContact CG-CD2 3.74Å; F344-L373 HydrophobicContact CG-CG 4.45Å; S346-L373 WeakPolarHBondContact OG-CB 3.25Å; R347-L373 CarbonylContact O-C 3.5Å; R347-L373 VanDerWaalsContact O-CA 3.27Å; R347-L373 WeakPolarHBondContact O-CA 3.14Å; V348-L373 HydrophobicContact CB-CD2 4.26Å; V348-L373 HydrophobicContact CG2-CD2 3.76Å; V371-L373 HydrophobicContact CG1-CD2 3.68Å; V371-L373 HydrophobicContact CG1-CG 4.43Å; L373-E375 PolarHBondContact O-N 3Å; L373-E376 WeakPolarHBondContact CA-O 3.3Å; L373-E376 VanDerWaalsContact CB-O 3.31Å; L373-E376 WeakPolarHBondContact CB-O 3.09Å; L373-E376 HydrophobicContact CD1-CG 3.81Å; L373-E376 PolarHBondContact N-O 3.26Å; L373-V378 HydrophobicContact CD1-CG2 3.9Å |
| 374 | E | 95.6 | Very high | 94.2 | Very high | 34 Ų | 34 | 17.3 Ų | 17.3 | 16% | 0.159 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -65.8 | -21.2 | 178.4 | -169.5 | 161.5 | -126.9 | 0 | 0 | 112.8 | P37 K54 R347 I349 | P37-E374 VanDerWaalsContact CD-O 3.29Å; P37-E374 WeakPolarHBondContact CD-O 3.49Å; K54-E374 IonicContact NZ-OE1 3.8Å; K54-E374 PolarHBondContact NZ-OE1 3.27Å; R347-E374 HydrophobicContact CB-CB 4.38Å; R347-E374 IonicContact CZ-OE1 3.55Å; R347-E374 IonicContact CZ-OE2 3.97Å; R347-E374 IonicContact NH1-OE1 3.35Å; R347-E374 PolarHBondContact NH1-OE1 2.97Å; R347-E374 IonicContact NH1-OE2 3.1Å; R347-E374 PolarHBondContact NH1-OE2 3.02Å; R347-E374 VanDerWaalsContact NH1-OE2 3.11Å; R347-E374 IonicContact NH2-OE1 3.13Å; R347-E374 PolarHBondContact NH2-OE1 3.04Å; R347-E374 IonicContact NH2-OE2 2.68Å; R347-E374 PolarHBondContact NH2-OE2 2.78Å; R347-E374 PolarHBondContact O-N 3.49Å; I349-E374 HydrophobicContact CD1-CB 4.05Å; I349-E374 HydrophobicContact CD1-CG 4.44Å; I349-E374 HydrophobicContact CG1-CB 4.33Å |
| 375 | E | 95.4 | Very high | 94.2 | Very high | 49 Ų | 49 | 22.4 Ų | 22.4 | 23% | 0.229 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -128.3 | -8.4 | -174.3 | -58.5 | -82.3 | -156 | 0 | 0 | 114.7 | S346 L373 H399 F517 | S346-E375 PolarHBondContact OG-N 3.4Å; L373-E375 PolarHBondContact O-N 3Å; E375-H399 PolarHBondContact O-CE1 2.8Å; E375-H399 PolarHBondContact O-NE2 3.24Å; E375-H399 IonicContact OE2-CD2 2.65Å; E375-H399 PolarHBondContact OE2-CD2 3.24Å; E375-H399 IonicContact OE2-CE1 2.64Å; E375-H399 IonicContact OE2-NE2 3.56Å; E375-H399 PolarHBondContact OE2-NE2 3.11Å; E375-F517 HydrophobicContact CB-CB 4.45Å; E375-F517 HydrophobicContact CB-CD1 3.69Å; E375-F517 HydrophobicContact CB-CD2 3.84Å; E375-F517 HydrophobicContact CB-CE1 3.77Å; E375-F517 HydrophobicContact CB-CE2 3.93Å; E375-F517 HydrophobicContact CB-CG 3.72Å; E375-F517 HydrophobicContact CB-CZ 3.88Å; E375-F517 HydrophobicContact CG-CD1 4.05Å; E375-F517 HydrophobicContact CG-CD2 4.48Å; E375-F517 HydrophobicContact CG-CE1 3.59Å; E375-F517 HydrophobicContact CG-CE2 4.08Å; E375-F517 HydrophobicContact CG-CG 4.47Å; E375-F517 HydrophobicContact CG-CZ 3.61Å |
| 376 | E | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 22.7 Ų | 22.7 | 2% | 0.023 | 14% | 0.135 | C | C | . | . | trans | -158.2 | 166 | 172.8 | 67.2 | -174.6 | 136.9 | 0 | 0 | 114.2 | F33 L373 V378 P397 G515 C516 F517 | F33-E376 VanDerWaalsContact CZ-C 3.47Å; L373-E376 WeakPolarHBondContact CA-O 3.3Å; L373-E376 VanDerWaalsContact CB-O 3.31Å; L373-E376 WeakPolarHBondContact CB-O 3.09Å; L373-E376 HydrophobicContact CD1-CG 3.81Å; L373-E376 PolarHBondContact N-O 3.26Å; E376-V378 HydrophobicContact CG-CG2 4.2Å; E376-P397 HydrophobicContact CB-CB 3.7Å; E376-P397 HydrophobicContact CB-CG 3.71Å; E376-G515 WeakPolarHBondContact OE1-CA 3.33Å; E376-C516 VanDerWaalsContact CD-N 3.27Å; E376-C516 PolarHBondContact OE1-N 3.35Å; E376-C516 PolarHBondContact OE2-N 3.4Å; E376-C516 PolarHBondContact OE2-SG 2.93Å; E376-F517 HydrophobicContact CG-CB 4.32Å; E376-F517 VanDerWaalsContact OE1-CB 3.3Å; E376-F517 WeakPolarHBondContact OE1-CB 3.45Å; E376-F517 PolarHBondContact OE1-N 3.3Å; E376-F517 PolarHBondContact OE2-N 2.9Å | ||
| 377 | L | 96.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 22.6 Ų | 22.6 | 3% | 0.031 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 124.2 | 169.5 | -174.7 | 75.1 | 0 | 0 | 0 | 109.6 | F33 M49 V370 L372 V379 T392 L395 W437 | F33-L377 HydrophobicContact CD2-CB 4.37Å; F33-L377 HydrophobicContact CE2-CB 3.98Å; M49-L377 HydrophobicContact CE-CD2 3.97Å; M49-L377 HydrophobicContact SD-CD1 4.33Å; V370-L377 HydrophobicContact CG1-CD1 3.92Å; L372-L377 HydrophobicContact CB-CD1 4.47Å; L372-L377 HydrophobicContact CD1-CD1 4.16Å; L377-V379 HydrophobicContact CD2-CG2 4.41Å; L377-V379 HydrophobicContact CG-CG2 4.42Å; L377-T392 HydrophobicContact CD2-CG2 4.33Å; L377-L395 HydrophobicContact CD2-CB 4.28Å; L377-L395 HydrophobicContact CD2-CD1 3.85Å; L377-W437 HydrophobicContact CD2-CH2 4.14Å |
| 378 | V | 95.9 | Very high | 93.8 | Very high | 7 Ų | 7 | 22.6 Ų | 22.6 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 132.8 | 173.8 | 177.1 | 0 | 0 | 0 | 0 | 109.2 | F344 V371 L373 E376 I380 T389 V514 | F344-V378 HydrophobicContact CE1-CB 4.43Å; F344-V378 HydrophobicContact CE1-CG1 4.3Å; F344-V378 HydrophobicContact CE1-CG2 4.19Å; V371-V378 HydrophobicContact CB-CB 4.39Å; V371-V378 PolarHBondContact N-O 2.92Å; V371-V378 PolarHBondContact O-N 3.31Å; L373-V378 HydrophobicContact CD1-CG2 3.9Å; E376-V378 HydrophobicContact CG-CG2 4.2Å; V378-I380 HydrophobicContact CG1-CD1 4.17Å; V378-I380 HydrophobicContact CG1-CG1 4.01Å; V378-T389 HydrophobicContact CG1-CG2 4.43Å; V378-V514 HydrophobicContact CG1-CG1 3.65Å |
| 379 | V | 95.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 137.9 | 169.7 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | A368 L369 V370 L377 T389 L390 W437 P438 | A368-V379 HydrophobicContact CB-CG1 4.36Å; L369-V379 CarbonylContact O-C 3.6Å; L369-V379 WeakPolarHBondContact O-CA 3.47Å; V370-V379 HydrophobicContact CG1-CG2 4.27Å; V370-V379 HydrophobicContact CG2-CG1 4.08Å; V370-V379 HydrophobicContact CG2-CG2 4.14Å; L377-V379 HydrophobicContact CD2-CG2 4.41Å; L377-V379 HydrophobicContact CG-CG2 4.42Å; V379-T389 CarbonylContact O-C 3.59Å; V379-T389 WeakPolarHBondContact O-CA 3.4Å; V379-L390 HydrophobicContact CB-CB 4.27Å; V379-L390 HydrophobicContact CG1-CB 4.33Å; V379-L390 HydrophobicContact CG1-CD1 3.99Å; V379-L390 PolarHBondContact O-N 3.17Å; V379-W437 HydrophobicContact CB-CZ3 4.09Å; V379-W437 HydrophobicContact CG2-CH2 3.59Å; V379-W437 HydrophobicContact CG2-CZ3 3.66Å; V379-P438 HydrophobicContact CG1-CG 4.36Å |
| 380 | I | 94.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 130.2 | -175.8 | -66.6 | 171.7 | 0 | 0 | 0 | 109 | L342 A368 L369 V378 L382 W387 P388 T389 V514 | L342-I380 HydrophobicContact CD1-CD1 3.39Å; L342-I380 HydrophobicContact CD2-CD1 4.21Å; L342-I380 HydrophobicContact CG-CD1 4.45Å; A368-I380 CarbonylContact C-O 3.55Å; A368-I380 WeakPolarHBondContact CA-O 3.39Å; A368-I380 WeakPolarHBondContact CB-O 3.46Å; L369-I380 HydrophobicContact CB-CB 4.4Å; L369-I380 HydrophobicContact CD2-CD1 4.46Å; L369-I380 PolarHBondContact N-O 3.19Å; L369-I380 PolarHBondContact O-N 2.85Å; V378-I380 HydrophobicContact CG1-CD1 4.17Å; V378-I380 HydrophobicContact CG1-CG1 4.01Å; I380-L382 HydrophobicContact CG2-CD2 4.31Å; I380-W387 HydrophobicContact CG2-CB 3.78Å; I380-P388 WeakPolarHBondContact CA-O 3.36Å; I380-T389 HydrophobicContact CG1-CG2 4.25Å; I380-V514 HydrophobicContact CD1-CG1 4.37Å |
| 381 | D | 93.6 | Very high | 92.8 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.011 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 124.5 | 170.1 | 178.6 | -13.9 | 0 | 0 | 0 | 108.7 | Q383 T384 W387 P388 L390 | D381-Q383 WeakPolarHBondContact OD1-CA 3.33Å; D381-Q383 PolarHBondContact OD1-N 3.25Å; D381-T384 PolarHBondContact OD1-N 3.32Å; D381-T384 VanDerWaalsContact OD2-CB 3.29Å; D381-T384 WeakPolarHBondContact OD2-CB 3.44Å; D381-T384 PolarHBondContact OD2-OG1 3.15Å; D381-W387 VanDerWaalsContact O-CA 3.28Å; D381-W387 WeakPolarHBondContact O-CA 3.49Å; D381-P388 HydrophobicContact CB-CG 4.16Å; D381-P388 PolarHBondContact N-O 3.15Å; D381-L390 HydrophobicContact CB-CD1 4.45Å; D381-L390 HydrophobicContact CB-CD2 4.26Å; D381-L390 HydrophobicContact CB-CG 4.22Å |
| 382 | L | 92 | Very high | 92.5 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 9% | 0.094 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -98.8 | -7.8 | 178.7 | -62.7 | 176.5 | 0 | 0 | 0 | 112.9 | I333 P366 S367 L369 I380 W387 | I333-L382 HydrophobicContact CD1-CD2 3.96Å; P366-L382 HydrophobicContact CB-CD1 3.97Å; P366-L382 HydrophobicContact CG-CD1 4.44Å; S367-L382 PolarHBondContact O-N 3.04Å; L369-L382 HydrophobicContact CB-CD1 4.13Å; L369-L382 HydrophobicContact CB-CD2 4.24Å; L369-L382 HydrophobicContact CB-CG 4.31Å; I380-L382 HydrophobicContact CG2-CD2 4.31Å; L382-W387 HydrophobicContact CD2-CG 4.38Å |
| 383 | Q | 89.4 | Confident | 92.1 | Very high | 130 Ų | 130 | 30.2 Ų | 30.2 | 61% | 0.607 | 18% | 0.181 | S | C | * | . | S | Bend | trans | -92.1 | -33.1 | -179.2 | -55.1 | -170.3 | -30.9 | 0 | 0 | 112 | D381 | D381-Q383 WeakPolarHBondContact OD1-CA 3.33Å; D381-Q383 PolarHBondContact OD1-N 3.25Å |
| 384 | T | 89.6 | Confident | 91.8 | Very high | 34 Ų | 34 | 30.7 Ų | 30.7 | 21% | 0.209 | 18% | 0.183 | C | C | . | . | S | Bend | trans | -79.3 | 125.2 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 110.4 | D381 W387 P388 | D381-T384 PolarHBondContact OD1-N 3.32Å; D381-T384 VanDerWaalsContact OD2-CB 3.29Å; D381-T384 WeakPolarHBondContact OD2-CB 3.44Å; D381-T384 PolarHBondContact OD2-OG1 3.15Å; T384-W387 PolarHBondContact O-N 2.69Å; T384-W387 VanDerWaalsContact O-N 3.1Å; T384-P388 HydrophobicContact CG2-CG 3.8Å; T384-P388 WeakPolarHBondContact O-CD 3.37Å |
| 385 | P | 86.6 | Confident | 91.7 | Very high | 114 Ų | 114 | 29.2 Ų | 29.2 | 74% | 0.74 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | 144.1 | 178.2 | -28.1 | 35.9 | 0 | 0 | 0 | 113.4 | W387 | P385-W387 PolarHBondContact O-N 2.92Š|
| 386 | G | 85.9 | Confident | 91.5 | Very high | 47 Ų | 47 | 27.1 Ų | 27.1 | 49% | 0.485 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 9.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | R512 | G386-R512 PolarHBondContact O-NH1 3.13Š|
| 387 | W | 90.9 | Very high | 91.2 | Very high | 8 Ų | 8 | 27.4 Ų | 27.4 | 3% | 0.03 | 17% | 0.169 | C | C | . | . | trans | 44.3 | 68 | 168.7 | -56.2 | -34.5 | 0 | 0 | 0 | 115.1 | I333 Q335 E338 V340 I380 D381 L382 T384 P385 R512 | I333-W387 HydrophobicContact CB-CE3 4Å; I333-W387 HydrophobicContact CB-CH2 4.06Å; I333-W387 HydrophobicContact CB-CZ3 3.59Å; I333-W387 HydrophobicContact CD1-CD2 4.46Å; I333-W387 HydrophobicContact CD1-CE3 4.08Å; I333-W387 HydrophobicContact CG2-CD2 4.36Å; I333-W387 HydrophobicContact CG2-CE3 3.97Å; I333-W387 HydrophobicContact CG2-CH2 3.5Å; I333-W387 HydrophobicContact CG2-CZ2 3.89Å; I333-W387 HydrophobicContact CG2-CZ3 3.53Å; Q335-W387 HydrophobicContact CB-CZ2 4.3Å; E338-W387 HydrophobicContact CB-CH2 3.88Å; E338-W387 HydrophobicContact CB-CZ2 4.36Å; V340-W387 HydrophobicContact CB-CE3 4.12Å; V340-W387 HydrophobicContact CB-CZ3 3.85Å; V340-W387 HydrophobicContact CG2-CE3 3.92Å; V340-W387 HydrophobicContact CG2-CZ3 3.61Å; I380-W387 HydrophobicContact CG2-CB 3.78Å; D381-W387 VanDerWaalsContact O-CA 3.28Å; D381-W387 WeakPolarHBondContact O-CA 3.49Å; L382-W387 HydrophobicContact CD2-CG 4.38Å; T384-W387 PolarHBondContact O-N 2.69Å; T384-W387 VanDerWaalsContact O-N 3.1Å; P385-W387 PolarHBondContact O-N 2.92Å; W387-R512 PolarHBondContact O-NH1 2.7Å; W387-R512 PolarHBondContact O-NH2 2.69Å | ||
| 388 | P | 91.1 | Very high | 91.1 | Very high | 20 Ų | 20 | 27.1 Ų | 27.1 | 13% | 0.13 | 17% | 0.168 | C | C | . | . | P | Polyproline II helix | trans | -74.1 | 155.2 | -176.9 | 30.2 | -34.7 | 0 | 0 | 0 | 113.4 | I380 D381 T384 T433 | I380-P388 WeakPolarHBondContact CA-O 3.36Å; D381-P388 HydrophobicContact CB-CG 4.16Å; D381-P388 PolarHBondContact N-O 3.15Å; T384-P388 HydrophobicContact CG2-CG 3.8Å; T384-P388 WeakPolarHBondContact O-CD 3.37Å; P388-T433 HydrophobicContact CB-CG2 3.71Å; P388-T433 HydrophobicContact CG-CG2 3.5Å |
| 389 | T | 90.7 | Very high | 90.9 | Very high | 37 Ų | 37 | 27.6 Ų | 27.6 | 23% | 0.227 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 131.8 | 176.4 | 48 | 0 | 0 | 0 | 0 | 112.4 | V378 V379 I380 Q431 V514 | V378-T389 HydrophobicContact CG1-CG2 4.43Å; V379-T389 CarbonylContact O-C 3.59Å; V379-T389 WeakPolarHBondContact O-CA 3.4Å; I380-T389 HydrophobicContact CG1-CG2 4.25Å; T389-Q431 PolarHBondContact OG1-NE2 2.8Å; T389-V514 HydrophobicContact CG2-CG1 3.59Å |
| 390 | L | 89.9 | Confident | 90.7 | Very high | 12 Ų | 12 | 27.8 Ų | 27.8 | 6% | 0.063 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 133.5 | 172.5 | -66.2 | 176.2 | 0 | 0 | 0 | 111.2 | V379 D381 T433 M435 | V379-L390 HydrophobicContact CB-CB 4.27Å; V379-L390 HydrophobicContact CG1-CB 4.33Å; V379-L390 HydrophobicContact CG1-CD1 3.99Å; V379-L390 PolarHBondContact O-N 3.17Å; D381-L390 HydrophobicContact CB-CD1 4.45Å; D381-L390 HydrophobicContact CB-CD2 4.26Å; D381-L390 HydrophobicContact CB-CG 4.22Å; L390-T433 HydrophobicContact CD2-CG2 3.82Å; L390-T433 VanDerWaalsContact CD2-OG1 3.22Å; L390-T433 WeakPolarHBondContact CD2-OG1 3.21Å; L390-M435 HydrophobicContact CD1-CB 4.39Å; L390-M435 HydrophobicContact CD1-CG 4.48Å; L390-M435 HydrophobicContact CD1-SD 3.78Å; L390-M435 HydrophobicContact CD2-CB 4.13Å |
| 391 | P | 87.7 | Confident | 90.5 | Very high | 72 Ų | 72 | 28 Ų | 28 | 47% | 0.468 | 17% | 0.173 | S | C | . | . | P | Polyproline II helix | trans | -73 | 129.1 | 176.4 | 29.5 | -33.4 | 0 | 0 | 0 | 110.7 | ||
| 392 | T | 90.1 | Very high | 90.5 | Very high | 18 Ų | 18 | 30.2 Ų | 30.2 | 11% | 0.11 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -74.2 | 136.9 | 179.5 | 70.5 | 0 | 0 | 0 | 0 | 111.3 | L377 Y394 W437 | L377-T392 HydrophobicContact CD2-CG2 4.33Å; T392-Y394 WeakPolarHBondContact CB-O 3.26Å; T392-Y394 PolarHBondContact OG1-O 3.33Å; T392-W437 HydrophobicContact CG2-CH2 3.87Å; T392-W437 HydrophobicContact CG2-CZ3 3.91Å |
| 393 | P | 89.9 | Confident | 90.6 | Very high | 20 Ų | 20 | 31 Ų | 31 | 13% | 0.13 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -82.3 | -18.4 | 176.8 | 32.4 | -34.9 | 0 | 0 | 0 | 113 | P64 W437 T475 | P64-P393 HydrophobicContact CG-CB 3.91Å; P64-P393 HydrophobicContact CG-CG 4.02Å; P393-W437 VanDerWaalsContact CD-CE3 3.47Å; P393-W437 HydrophobicContact CG-CD2 3.76Å; P393-W437 HydrophobicContact CG-CE3 4.35Å; P393-W437 HydrophobicContact CG-CG 3.8Å; P393-W437 HydrophobicContact CG-CZ2 4.45Å; P393-T475 PolarHBondContact O-OG1 2.86Å |
| 394 | Y | 91.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 27.3 Ų | 27.3 | 4% | 0.039 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -143 | -171.1 | 175.3 | 45.8 | -119.8 | 0 | 0 | 0 | 107.8 | Y61 G62 P64 T392 A396 W437 I439 | Y61-Y394 HydrophobicContact CD1-CD2 4.35Å; Y61-Y394 HydrophobicContact CD1-CE2 4.43Å; Y61-Y394 HydrophobicContact CG-CE2 4.36Å; G62-Y394 WeakPolarHBondContact O-CE1 3.4Å; G62-Y394 VanDerWaalsContact O-CZ 3.25Å; G62-Y394 PolarHBondContact O-OH 2.82Å; P64-Y394 HydrophobicContact CG-CE1 4.47Å; T392-Y394 WeakPolarHBondContact CB-O 3.26Å; T392-Y394 PolarHBondContact OG1-O 3.33Å; Y394-A396 PolarHBondContact O-N 2.81Å; Y394-W437 AromaticContact CE2-CZ2 3.69Å; Y394-W437 HydrophobicContact CE2-CZ2 3.69Å; Y394-W437 AromaticContact CZ-CE2 3.93Å; Y394-W437 AromaticContact CZ-CZ2 3.92Å; Y394-W437 AromaticContact CZ-NE1 3.47Å; Y394-W437 PolarHBondContact OH-NE1 3.47Å; Y394-I439 PolarHBondContact OH-O 3.47Å |
| 395 | L | 93.1 | Very high | 91.1 | Very high | 4 Ų | 4 | 26.6 Ų | 26.6 | 2% | 0.021 | 18% | 0.177 | C | C | . | . | trans | 55.3 | 24.2 | 177.9 | -69.4 | 171.8 | 0 | 0 | 0 | 114.4 | G32 F33 P34 M49 I51 Y61 L377 | G32-L395 WeakPolarHBondContact O-CA 3.35Å; F33-L395 HydrophobicContact CD2-CB 4.48Å; F33-L395 HydrophobicContact CD2-CD2 4.48Å; P34-L395 HydrophobicContact CG-CD2 3.89Å; M49-L395 HydrophobicContact CE-CD1 3.43Å; M49-L395 VanDerWaalsContact CE-CD1 3.43Å; I51-L395 HydrophobicContact CD1-CD1 3.78Å; I51-L395 HydrophobicContact CD1-CD2 4.16Å; Y61-L395 HydrophobicContact CD1-CD1 4.45Å; Y61-L395 HydrophobicContact CD1-CG 4.46Å; Y61-L395 HydrophobicContact CD2-CD1 3.8Å; Y61-L395 HydrophobicContact CD2-CD2 4.44Å; Y61-L395 HydrophobicContact CD2-CG 4.41Å; Y61-L395 HydrophobicContact CE1-CD2 4.19Å; Y61-L395 HydrophobicContact CE1-CG 4.24Å; Y61-L395 HydrophobicContact CE2-CD1 3.93Å; Y61-L395 HydrophobicContact CE2-CD2 3.74Å; Y61-L395 HydrophobicContact CE2-CG 4.17Å; Y61-L395 HydrophobicContact CG-CD1 4.06Å; L377-L395 HydrophobicContact CD2-CB 4.28Å; L377-L395 HydrophobicContact CD2-CD1 3.85Å | ||
| 396 | A | 90.6 | Very high | 91.6 | Very high | 5 Ų | 5 | 22.2 Ų | 22.2 | 4% | 0.041 | 15% | 0.149 | C | C | . | . | trans | -71.1 | 133.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y394 L398 W467 | Y394-A396 PolarHBondContact O-N 2.81Å; A396-L398 HydrophobicContact CB-CD2 4.3Å; A396-L398 WeakPolarHBondContact O-CD2 3.28Å; A396-L398 WeakPolarHBondContact O-CG 3.32Å; A396-L398 PolarHBondContact O-N 3.15Å; A396-W467 HydrophobicContact CB-CH2 3.96Å; A396-W467 HydrophobicContact CB-CZ3 3.54Å | ||
| 397 | P | 90.9 | Very high | 92 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 7% | 0.065 | 14% | 0.136 | C | C | . | . | trans | -72.9 | 90.3 | 178.5 | 30.4 | -36.2 | 0 | 0 | 0 | 110.3 | E376 H399 S400 C516 | E376-P397 HydrophobicContact CB-CB 3.7Å; E376-P397 HydrophobicContact CB-CG 3.71Å; P397-H399 PolarHBondContact O-N 2.91Å; P397-S400 WeakPolarHBondContact O-CB 3.23Å; P397-S400 PolarHBondContact O-N 3.19Å; P397-S400 PolarHBondContact O-OG 3.44Å; P397-C516 WeakPolarHBondContact CG-SG 3.24Å | ||
| 398 | L | 92.8 | Very high | 92.3 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -27.8 | -177.7 | -50.4 | -172.8 | 0 | 0 | 0 | 111.9 | H31 A396 S400 I403 H459 W467 L474 Y945 | H31-L398 WeakPolarHBondContact O-CD1 3.48Å; A396-L398 HydrophobicContact CB-CD2 4.3Å; A396-L398 WeakPolarHBondContact O-CD2 3.28Å; A396-L398 WeakPolarHBondContact O-CG 3.32Å; A396-L398 PolarHBondContact O-N 3.15Å; L398-S400 VanDerWaalsContact C-N 3.34Å; L398-I403 HydrophobicContact CB-CD1 3.9Å; L398-I403 WeakPolarHBondContact O-CG1 3.46Å; L398-H459 PolarHBondContact O-CE1 3.19Å; L398-W467 HydrophobicContact CD2-CD2 4.3Å; L398-W467 HydrophobicContact CD2-CE3 4.16Å; L398-W467 HydrophobicContact CD2-CH2 3.39Å; L398-W467 HydrophobicContact CD2-CZ2 3.5Å; L398-W467 VanDerWaalsContact CD2-CZ2 3.5Å; L398-W467 HydrophobicContact CD2-CZ3 3.73Å; L398-L474 HydrophobicContact CD1-CD2 3.96Å; L398-L474 HydrophobicContact CD2-CD2 3.92Å; L398-Y945 HydrophobicContact CD1-CD2 3.64Å; L398-Y945 HydrophobicContact CD1-CE2 4.14Å |
| 399 | H | 91.7 | Very high | 92.5 | Very high | 17 Ų | 17 | 22.1 Ų | 22.1 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 10.5 | 175.9 | 64.8 | -46.5 | 0 | 0 | 0 | 114.4 | E375 P397 S401 F517 P942 S943 | E375-H399 PolarHBondContact O-CE1 2.8Å; E375-H399 PolarHBondContact O-NE2 3.24Å; E375-H399 IonicContact OE2-CD2 2.65Å; E375-H399 PolarHBondContact OE2-CD2 3.24Å; E375-H399 IonicContact OE2-CE1 2.64Å; E375-H399 IonicContact OE2-NE2 3.56Å; E375-H399 PolarHBondContact OE2-NE2 3.11Å; P397-H399 PolarHBondContact O-N 2.91Å; H399-S401 CarbonylContact C-O 3.43Å; H399-S401 CarbonylContact O-C 3.47Å; H399-S401 VanDerWaalsContact O-C 3.24Å; H399-S401 WeakPolarHBondContact O-CA 3.36Å; H399-S401 PolarHBondContact O-N 3.03Å; H399-F517 AromaticContact CD2-CE2 3.65Å; H399-F517 AromaticContact NE2-CE2 3.87Å; H399-P942 WeakPolarHBondContact CB-O 3.48Å; H399-S943 WeakPolarHBondContact CE1-CB 3.47Å; H399-S943 WeakPolarHBondContact ND1-CB 3.48Å |
| 400 | S | 91 | Very high | 92.5 | Very high | 4 Ų | 4 | 20.7 Ų | 20.7 | 3% | 0.028 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -51.7 | -24.3 | 174.8 | 44.3 | 0 | 0 | 0 | 0 | 113.9 | P397 L398 R465 C516 D518 | P397-S400 WeakPolarHBondContact O-CB 3.23Å; P397-S400 PolarHBondContact O-N 3.19Å; P397-S400 PolarHBondContact O-OG 3.44Å; L398-S400 VanDerWaalsContact C-N 3.34Å; S400-R465 VanDerWaalsContact OG-CZ 3.29Å; S400-R465 PolarHBondContact OG-NE 3.04Å; S400-R465 VanDerWaalsContact OG-NE 3.15Å; S400-R465 PolarHBondContact OG-NH2 2.84Å; S400-C516 VanDerWaalsContact CB-O 3.3Å; S400-C516 WeakPolarHBondContact CB-O 3.32Å; S400-D518 PolarHBondContact O-N 3.34Å |
| 401 | S | 92.4 | Very high | 92.5 | Very high | 6 Ų | 6 | 22.3 Ų | 22.3 | 4% | 0.042 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -132.7 | 151.6 | 142.5 | 178.3 | 0 | 0 | 0 | 0 | 108.2 | H399 I403 H459 D461 | H399-S401 CarbonylContact C-O 3.43Å; H399-S401 CarbonylContact O-C 3.47Å; H399-S401 VanDerWaalsContact O-C 3.24Å; H399-S401 WeakPolarHBondContact O-CA 3.36Å; H399-S401 PolarHBondContact O-N 3.03Å; S401-I403 PolarHBondContact O-N 2.94Å; S401-H459 PolarHBondContact O-ND1 2.98Å; S401-D461 VanDerWaalsContact CB-OD2 3.24Å; S401-D461 WeakPolarHBondContact CB-OD2 3.5Å; S401-D461 WeakPolarHBondContact OG-CB 3.48Å; S401-D461 VanDerWaalsContact OG-CG 3.31Å; S401-D461 PolarHBondContact OG-N 2.62Å; S401-D461 VanDerWaalsContact OG-N 3.15Å |
| 402 | A | 92 | Very high | 92.8 | Very high | 47 Ų | 47 | 19.2 Ų | 19.2 | 39% | 0.388 | 12% | 0.122 | S | C | . | . | trans | -57.8 | 127 | -173 | 0 | 0 | 0 | 0 | 0 | 112.2 | T404 H459 E460 | A402-T404 PolarHBondContact O-N 3.37Å; A402-H459 CarbonylContact O-C 3.6Å; A402-H459 WeakPolarHBondContact O-CA 3.44Å; A402-E460 HydrophobicContact CB-CB 4.25Å; A402-E460 PolarHBondContact O-N 2.72Å | ||
| 403 | I | 94.4 | Very high | 93 | Very high | 36 Ų | 36 | 19.9 Ų | 19.9 | 19% | 0.185 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 121.7 | -177.2 | -55.6 | 169.6 | 0 | 0 | 0 | 109.9 | L398 S401 T457 L939 Y945 | L398-I403 HydrophobicContact CB-CD1 3.9Å; L398-I403 WeakPolarHBondContact O-CG1 3.46Å; S401-I403 PolarHBondContact O-N 2.94Å; I403-T457 HydrophobicContact CG2-CG2 4.44Å; I403-L939 HydrophobicContact CB-CD1 4.48Å; I403-L939 HydrophobicContact CD1-CD1 4.18Å; I403-L939 HydrophobicContact CD1-CD2 4.07Å; I403-Y945 HydrophobicContact CD1-CE2 4.19Å |
| 404 | T | 94.6 | Very high | 93.2 | Very high | 51 Ų | 51 | 22.6 Ų | 22.6 | 31% | 0.313 | 14% | 0.144 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | -29 | -178.2 | 47.6 | 0 | 0 | 0 | 0 | 113 | A402 G458 H459 E460 I528 | A402-T404 PolarHBondContact O-N 3.37Å; T404-G458 PolarHBondContact N-O 3.48Å; T404-G458 VanDerWaalsContact OG1-C 3.25Å; T404-G458 PolarHBondContact OG1-O 2.96Å; T404-G458 VanDerWaalsContact OG1-O 3.09Å; T404-H459 WeakPolarHBondContact OG1-CA 3.34Å; T404-H459 PolarHBondContact OG1-N 2.88Å; T404-E460 HydrophobicContact CG2-CB 4.17Å; T404-I528 VanDerWaalsContact CB-O 3.25Å; T404-I528 WeakPolarHBondContact CB-O 3.36Å; T404-I528 PolarHBondContact OG1-O 2.98Å |
| 405 | C | 95.3 | Very high | 93.3 | Very high | 19 Ų | 19 | 30.4 Ų | 30.4 | 13% | 0.128 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 160.4 | 172 | 72.3 | 0 | 0 | 0 | 0 | 113.7 | T457 G458 I528 Q529 | C405-T457 WeakPolarHBondContact O-CA 3.42Å; C405-G458 PolarHBondContact N-O 3.09Å; C405-G458 PolarHBondContact O-N 3.42Å; C405-I528 PolarHBondContact SG-O 2.63Å; C405-I528 VanDerWaalsContact SG-O 3.37Å; C405-Q529 WeakPolarHBondContact CB-O 3.2Å |
| 406 | S | 96.4 | Very high | 93.3 | Very high | 22 Ų | 22 | 30.3 Ų | 30.3 | 15% | 0.154 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 144.4 | 176.5 | 59.8 | 0 | 0 | 0 | 0 | 112.2 | L456 S927 Y945 | S406-L456 WeakPolarHBondContact CA-O 3.28Å; S406-S927 PolarHBondContact OG-O 3.12Å; S406-S927 VanDerWaalsContact OG-O 3.1Å; S406-Y945 WeakPolarHBondContact CB-OH 3.47Å |
| 407 | C | 95.1 | Very high | 93.6 | Very high | 30 Ų | 30 | 31.1 Ų | 31.1 | 20% | 0.203 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 138.4 | 175.2 | -177.1 | 0 | 0 | 0 | 0 | 109.6 | L456 I531 | C407-L456 HydrophobicContact CB-CB 4.34Å; C407-L456 PolarHBondContact N-O 2.9Å; C407-L456 PolarHBondContact O-N 3.03Å; C407-I531 HydrophobicContact CB-CB 4.14Å; C407-I531 HydrophobicContact CB-CG2 4.19Å |
| 408 | H | 96.6 | Very high | 93.7 | Very high | 24 Ų | 24 | 36.1 Ų | 36.1 | 11% | 0.111 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 140.9 | -177.7 | -174.7 | -83.6 | 0 | 0 | 0 | 111.5 | S410 E453 L454 V929 T931 F937 | H408-S410 PolarHBondContact CE1-OG 3.02Å; H408-E453 IonicContact CE1-OE1 2.74Å; H408-E453 PolarHBondContact CE1-OE1 2.91Å; H408-L454 WeakPolarHBondContact CA-O 3.42Å; H408-V929 HydrophobicContact CB-CG2 3.92Å; H408-T931 VanDerWaalsContact CE1-CG2 3.42Å; H408-T931 WeakPolarHBondContact CE1-CG2 3.45Å; H408-F937 AromaticContact CD2-CE2 3.48Å; H408-F937 VanDerWaalsContact CD2-CE2 3.48Å; H408-F937 WeakPolarHBondContact CD2-CE2 3.34Å; H408-F937 AromaticContact NE2-CE2 3.71Å |
| 409 | I | 95.1 | Very high | 93.9 | Very high | 19 Ų | 19 | 39 Ų | 39 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 110 | -178.1 | -57.5 | 176.5 | 0 | 0 | 0 | 109.7 | V412 E453 L454 L456 L533 K535 | I409-V412 HydrophobicContact CB-CG2 4.48Å; I409-V412 HydrophobicContact CG2-CG2 3.97Å; I409-E453 WeakPolarHBondContact O-CA 3.39Å; I409-L454 HydrophobicContact CB-CB 4.41Å; I409-L454 PolarHBondContact N-O 3.34Å; I409-L454 PolarHBondContact O-N 2.81Å; I409-L456 HydrophobicContact CD1-CD1 4.16Å; I409-L533 HydrophobicContact CD1-CB 3.76Å; I409-L533 HydrophobicContact CD1-CD2 3.79Å; I409-L533 HydrophobicContact CD1-CG 3.79Å; I409-K535 HydrophobicContact CG2-CB 4.05Å; I409-K535 HydrophobicContact CG2-CD 3.82Å; I409-K535 HydrophobicContact CG2-CG 4.45Å |
| 410 | S | 92 | Very high | 94 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | trans | -82.9 | 147.9 | 173.6 | -60.5 | 0 | 0 | 0 | 0 | 112 | H408 E453 K535 K932 | H408-S410 PolarHBondContact CE1-OG 3.02Å; S410-E453 WeakPolarHBondContact CA-OE1 3.32Å; S410-E453 WeakPolarHBondContact CB-OE1 3.3Å; S410-E453 PolarHBondContact OG-OE1 2.77Å; S410-K535 PolarHBondContact O-NZ 2.84Å; S410-K932 PolarHBondContact OG-N 3.05Å | ||
| 411 | S | 90.4 | Very high | 94.2 | Very high | 45 Ų | 45 | 40.2 Ų | 40.2 | 32% | 0.315 | 22% | 0.219 | S | C | . | . | S | Bend | trans | 58 | 62.2 | 172.3 | -30.5 | 0 | 0 | 0 | 0 | 112.3 | Q451 Q452 K535 | S411-Q451 VanDerWaalsContact OG-CD 3.3Å; S411-Q451 PolarHBondContact OG-OE1 3.12Å; S411-Q452 WeakPolarHBondContact CA-O 3.16Å; S411-Q452 PolarHBondContact N-O 2.87Å; S411-Q452 VanDerWaalsContact N-O 3.13Å; S411-K535 PolarHBondContact O-NZ 3.25Å |
| 412 | V | 94.1 | Very high | 94.2 | Very high | 8 Ų | 8 | 44.4 Ų | 44.4 | 5% | 0.048 | 24% | 0.241 | C | C | . | . | trans | -73.2 | 136.5 | 179.3 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | I409 L416 W417 Q452 L454 | I409-V412 HydrophobicContact CB-CG2 4.48Å; I409-V412 HydrophobicContact CG2-CG2 3.97Å; V412-L416 HydrophobicContact CG1-CB 4.28Å; V412-L416 HydrophobicContact CG1-CD2 4.09Å; V412-L416 HydrophobicContact CG1-CG 4.18Å; V412-W417 HydrophobicContact CB-CE3 4.43Å; V412-W417 HydrophobicContact CG1-CE3 4.19Å; V412-Q452 HydrophobicContact CB-CB 4.17Å; V412-Q452 PolarHBondContact N-O 3.08Å; V412-L454 HydrophobicContact CG1-CD1 4.1Å; V412-L454 HydrophobicContact CG2-CB 4.25Å; V412-L454 HydrophobicContact CG2-CD1 3.9Å; V412-L454 HydrophobicContact CG2-CG 3.93Å | ||
| 413 | P | 93.6 | Very high | 94.3 | Very high | 32 Ų | 32 | 42.4 Ų | 42.4 | 21% | 0.208 | 23% | 0.225 | C | C | . | . | trans | -67.9 | 136.9 | 176.3 | -22.6 | 35.4 | 0 | 0 | 0 | 112.2 | K415 L416 W417 K535 Y536 | P413-K415 VanDerWaalsContact C-N 3.25Å; P413-K415 PolarHBondContact O-N 3.02Å; P413-K415 VanDerWaalsContact O-N 3.13Å; P413-L416 WeakPolarHBondContact O-CB 3.21Å; P413-L416 PolarHBondContact O-N 3.29Å; P413-W417 PolarHBondContact O-N 2.91Å; P413-K535 WeakPolarHBondContact CD-O 3.5Å; P413-K535 WeakPolarHBondContact CG-O 3.5Å; P413-Y536 HydrophobicContact CG-CD1 4.11Å; P413-Y536 HydrophobicContact CG-CE1 4.25Å | ||
| 414 | P | 92.9 | Very high | 94.2 | Very high | 77 Ų | 77 | 40.8 Ų | 40.8 | 50% | 0.5 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -54.5 | -36.6 | -178.7 | -30.1 | 36.1 | 0 | 0 | 0 | 114.4 | L416 W417 E418 | P414-L416 VanDerWaalsContact C-N 3.27Å; P414-L416 PolarHBondContact O-N 3.09Å; P414-W417 WeakPolarHBondContact O-CB 3.46Å; P414-W417 PolarHBondContact O-N 3.17Å; P414-W417 VanDerWaalsContact O-N 3.12Å; P414-E418 WeakPolarHBondContact O-CG 3.45Å; P414-E418 PolarHBondContact O-N 2.75Å |
| 415 | K | 93.4 | Very high | 93.9 | Very high | 173 Ų | 173 | 44.6 Ų | 44.6 | 75% | 0.752 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -61.1 | -31.5 | 176.1 | -65.4 | -173.5 | 178.6 | -176.9 | 0 | 113.8 | P413 R419 | P413-K415 VanDerWaalsContact C-N 3.25Å; P413-K415 PolarHBondContact O-N 3.02Å; P413-K415 VanDerWaalsContact O-N 3.13Å; K415-R419 VanDerWaalsContact O-CD 3.26Å; K415-R419 WeakPolarHBondContact O-CD 3.25Å; K415-R419 WeakPolarHBondContact O-CG 3.39Å |
| 416 | L | 94.7 | Very high | 93.5 | Very high | 3 Ų | 3 | 45.7 Ų | 45.7 | 2% | 0.016 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -76.7 | -44.6 | 173.3 | 172.9 | 55.4 | 0 | 0 | 0 | 109.6 | V412 P413 P414 E418 R419 L420 K535 L554 | V412-L416 HydrophobicContact CG1-CB 4.28Å; V412-L416 HydrophobicContact CG1-CD2 4.09Å; V412-L416 HydrophobicContact CG1-CG 4.18Å; P413-L416 WeakPolarHBondContact O-CB 3.21Å; P413-L416 PolarHBondContact O-N 3.29Å; P414-L416 VanDerWaalsContact C-N 3.27Å; P414-L416 PolarHBondContact O-N 3.09Å; L416-E418 PolarHBondContact O-N 3.19Å; L416-R419 PolarHBondContact O-N 3.31Å; L416-L420 HydrophobicContact CD1-CD1 3.91Å; L416-L420 HydrophobicContact CD1-CD2 4.32Å; L416-L420 HydrophobicContact CD1-CG 3.93Å; L416-L420 HydrophobicContact CG-CD1 3.96Å; L416-L420 HydrophobicContact CG-CG 4.43Å; L416-L420 VanDerWaalsContact O-CG 3.29Å; L416-L420 WeakPolarHBondContact O-CG 3.43Å; L416-L420 PolarHBondContact O-N 3.11Å; L416-K535 HydrophobicContact CD2-CB 4.13Å; L416-K535 WeakPolarHBondContact CD2-O 3.13Å; L416-L554 HydrophobicContact CD1-CD2 3.37Å |
| 417 | W | 95.4 | Very high | 93.1 | Very high | 21 Ų | 21 | 48 Ų | 48 | 8% | 0.08 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.9 | -50.1 | 179.7 | -168.6 | -98.3 | 0 | 0 | 0 | 113.5 | V412 P413 P414 R419 L420 I421 Q452 L454 D468 L477 | V412-W417 HydrophobicContact CB-CE3 4.43Å; V412-W417 HydrophobicContact CG1-CE3 4.19Å; P413-W417 PolarHBondContact O-N 2.91Å; P414-W417 WeakPolarHBondContact O-CB 3.46Å; P414-W417 PolarHBondContact O-N 3.17Å; P414-W417 VanDerWaalsContact O-N 3.12Å; W417-R419 PolarHBondContact O-N 3.2Å; W417-L420 PolarHBondContact O-N 2.92Å; W417-I421 HydrophobicContact CG-CD1 4.47Å; W417-I421 PolarHBondContact O-N 2.9Å; W417-Q452 VanDerWaalsContact CB-OE1 3.31Å; W417-Q452 VanDerWaalsContact CD1-NE2 3.27Å; W417-Q452 HydrophobicContact CD2-CB 4.1Å; W417-Q452 HydrophobicContact CD2-CG 3.91Å; W417-Q452 HydrophobicContact CE3-CB 3.8Å; W417-Q452 HydrophobicContact CE3-CG 4.14Å; W417-Q452 VanDerWaalsContact CG-CD 3.44Å; W417-Q452 HydrophobicContact CG-CG 4.34Å; W417-Q452 VanDerWaalsContact CG-OE1 3.29Å; W417-Q452 HydrophobicContact CH2-CB 4.31Å; W417-Q452 HydrophobicContact CH2-CG 4.42Å; W417-Q452 HydrophobicContact CZ2-CG 4.24Å; W417-Q452 HydrophobicContact CZ3-CB 3.9Å; W417-Q452 HydrophobicContact CZ3-CG 4.37Å; W417-L454 HydrophobicContact CE3-CD2 4.29Å; W417-L454 HydrophobicContact CE3-CG 4.33Å; W417-L454 HydrophobicContact CZ3-CD2 3.71Å; W417-L454 HydrophobicContact CZ3-CG 3.88Å; W417-D468 HydrophobicContact CH2-CB 3.8Å; W417-D468 VanDerWaalsContact CH2-CG 3.42Å; W417-D468 WeakPolarHBondContact CH2-OD1 3.4Å; W417-D468 HydrophobicContact CZ2-CB 4.14Å; W417-D468 WeakPolarHBondContact CZ2-OD2 3.49Å; W417-L477 HydrophobicContact CH2-CD1 3.94Å; W417-L477 HydrophobicContact CZ2-CD1 4.27Å; W417-L477 HydrophobicContact CZ3-CD1 4.12Å |
| 418 | E | 94.9 | Very high | 92.2 | Very high | 115 Ų | 115 | 51.1 Ų | 51.1 | 54% | 0.537 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 179.4 | -71.5 | 166.3 | -172.2 | 0 | 0 | 112 | P414 L416 I421 N422 | P414-E418 WeakPolarHBondContact O-CG 3.45Å; P414-E418 PolarHBondContact O-N 2.75Å; L416-E418 PolarHBondContact O-N 3.19Å; E418-I421 PolarHBondContact O-N 3.02Å; E418-N422 WeakPolarHBondContact O-CB 3.5Å; E418-N422 PolarHBondContact O-N 3.24Å; E418-N422 PolarHBondContact O-ND2 2.73Å |
| 419 | R | 95.6 | Very high | 90.5 | Very high | 61 Ų | 61 | 53 Ų | 53 | 23% | 0.23 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65.4 | -39.4 | 177.9 | -66.7 | 175.2 | 78.8 | -141 | 0.1 | 112.1 | K415 L416 W417 N422 A423 L554 D556 | K415-R419 VanDerWaalsContact O-CD 3.26Å; K415-R419 WeakPolarHBondContact O-CD 3.25Å; K415-R419 WeakPolarHBondContact O-CG 3.39Å; L416-R419 PolarHBondContact O-N 3.31Å; W417-R419 PolarHBondContact O-N 3.2Å; R419-N422 PolarHBondContact O-N 2.77Å; R419-A423 WeakPolarHBondContact O-CB 3.49Å; R419-A423 PolarHBondContact O-N 3.2Å; R419-L554 HydrophobicContact CB-CD2 3.78Å; R419-L554 HydrophobicContact CB-CG 4.44Å; R419-L554 PolarHBondContact NH1-O 2.72Å; R419-L554 PolarHBondContact NH2-O 3.07Å; R419-D556 IonicContact CZ-OD1 3.56Å; R419-D556 IonicContact CZ-OD2 2.79Å; R419-D556 VanDerWaalsContact CZ-OD2 3.24Å; R419-D556 VanDerWaalsContact NE-CG 3.27Å; R419-D556 IonicContact NE-OD1 3.36Å; R419-D556 PolarHBondContact NE-OD1 2.94Å; R419-D556 IonicContact NE-OD2 2.87Å; R419-D556 PolarHBondContact NE-OD2 2.89Å; R419-D556 IonicContact NH2-OD1 3.67Å; R419-D556 PolarHBondContact NH2-OD1 2.87Å; R419-D556 VanDerWaalsContact NH2-OD1 3.14Å; R419-D556 IonicContact NH2-OD2 3.87Å; R419-D556 PolarHBondContact NH2-OD2 3.33Å |
| 420 | L | 95.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.1 | -42.1 | 174 | -66.6 | 171.9 | 0 | 0 | 0 | 112.2 | L416 W417 G424 L454 F466 L554 F598 | L416-L420 HydrophobicContact CD1-CD1 3.91Å; L416-L420 HydrophobicContact CD1-CD2 4.32Å; L416-L420 HydrophobicContact CD1-CG 3.93Å; L416-L420 HydrophobicContact CG-CD1 3.96Å; L416-L420 HydrophobicContact CG-CG 4.43Å; L416-L420 VanDerWaalsContact O-CG 3.29Å; L416-L420 WeakPolarHBondContact O-CG 3.43Å; L416-L420 PolarHBondContact O-N 3.11Å; W417-L420 PolarHBondContact O-N 2.92Å; L420-G424 PolarHBondContact O-N 2.63Å; L420-L454 HydrophobicContact CD1-CD1 3.72Å; L420-L454 HydrophobicContact CD1-CD2 4.46Å; L420-F466 HydrophobicContact CD1-CD1 4.29Å; L420-F466 HydrophobicContact CD2-CD1 4.2Å; L420-F466 HydrophobicContact CD2-CE1 4.21Å; L420-L554 HydrophobicContact CD2-CD1 4.36Å; L420-L554 HydrophobicContact CD2-CD2 4.08Å; L420-L554 HydrophobicContact CG-CD2 4.36Å; L420-F598 HydrophobicContact CD2-CD2 4.33Å; L420-F598 HydrophobicContact CD2-CE2 3.56Å; L420-F598 HydrophobicContact CD2-CZ 4.3Å |
| 421 | I | 93.7 | Very high | 87.2 | Confident | 47 Ų | 47 | 68.6 Ų | 68.6 | 24% | 0.241 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -42.9 | 174.7 | -74.6 | 174 | 0 | 0 | 0 | 110.9 | W417 E418 G424 K425 L477 | W417-I421 HydrophobicContact CG-CD1 4.47Å; W417-I421 PolarHBondContact O-N 2.9Å; E418-I421 PolarHBondContact O-N 3.02Å; I421-G424 PolarHBondContact O-N 2.88Å; I421-K425 HydrophobicContact CG2-CD 4.01Å; I421-K425 WeakPolarHBondContact O-CG 3.47Å; I421-K425 PolarHBondContact O-N 2.9Å; I421-L477 HydrophobicContact CG1-CD2 4.17Å |
| 422 | N | 93.6 | Very high | 85.7 | Confident | 94 Ų | 94 | 72.4 Ų | 72.4 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.4 | -42.6 | -179.2 | -68.9 | -16.1 | 0 | 0 | 0 | 111.8 | E418 R419 G424 K425 A426 | E418-N422 WeakPolarHBondContact O-CB 3.5Å; E418-N422 PolarHBondContact O-N 3.24Å; E418-N422 PolarHBondContact O-ND2 2.73Å; R419-N422 PolarHBondContact O-N 2.77Å; N422-G424 PolarHBondContact O-N 2.82Å; N422-K425 PolarHBondContact O-N 2.89Å; N422-A426 WeakPolarHBondContact O-CB 3.11Å; N422-A426 PolarHBondContact O-N 3.04Å |
| 423 | A | 93.3 | Very high | 84.4 | Confident | 5 Ų | 5 | 73.6 Ų | 73.6 | 4% | 0.041 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112 | R419 K425 A426 Q427 Y478 | R419-A423 WeakPolarHBondContact O-CB 3.49Å; R419-A423 PolarHBondContact O-N 3.2Å; A423-K425 PolarHBondContact O-N 2.98Å; A423-A426 PolarHBondContact O-N 2.87Å; A423-Q427 WeakPolarHBondContact O-CG 3.33Å; A423-Q427 PolarHBondContact O-N 3.44Å; A423-Y478 HydrophobicContact CB-CD2 3.82Å; A423-Y478 HydrophobicContact CB-CE2 3.87Å |
| 424 | G | 91.6 | Very high | 83.3 | Confident | 3 Ų | 3 | 80 Ų | 80 | 3% | 0.031 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -62.7 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L420 I421 N422 R428 L477 | L420-G424 PolarHBondContact O-N 2.63Å; I421-G424 PolarHBondContact O-N 2.88Å; N422-G424 PolarHBondContact O-N 2.82Å; G424-R428 WeakPolarHBondContact O-CG 3.48Å; G424-R428 PolarHBondContact O-N 2.92Å; G424-L477 WeakPolarHBondContact CA-O 3.44Å |
| 425 | K | 88.7 | Confident | 82.8 | Confident | 130 Ų | 130 | 78.2 Ų | 78.2 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -66.8 | -43 | 172.2 | -73.7 | 169.5 | 179.4 | 173.1 | 0 | 111.7 | I421 N422 A423 Q427 R428 S429 | I421-K425 HydrophobicContact CG2-CD 4.01Å; I421-K425 WeakPolarHBondContact O-CG 3.47Å; I421-K425 PolarHBondContact O-N 2.9Å; N422-K425 PolarHBondContact O-N 2.89Å; A423-K425 PolarHBondContact O-N 2.98Å; K425-Q427 VanDerWaalsContact C-N 3.31Å; K425-Q427 PolarHBondContact O-N 3.05Å; K425-R428 PolarHBondContact O-N 3.28Å; K425-R428 VanDerWaalsContact O-N 3.13Å; K425-S429 PolarHBondContact O-N 2.96Å |
| 426 | A | 88.4 | Confident | 82.5 | Confident | 43 Ų | 43 | 74.6 Ų | 74.6 | 36% | 0.355 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -59.2 | -42 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N422 A423 R428 S429 P596 | N422-A426 WeakPolarHBondContact O-CB 3.11Å; N422-A426 PolarHBondContact O-N 3.04Å; A423-A426 PolarHBondContact O-N 2.87Å; A426-R428 PolarHBondContact O-N 2.82Å; A426-S429 WeakPolarHBondContact O-CB 3.41Å; A426-S429 PolarHBondContact O-N 3.38Å; A426-S429 PolarHBondContact O-OG 2.98Å; A426-P596 HydrophobicContact CB-CB 4.4Å; A426-P596 HydrophobicContact CB-CG 4.4Å |
| 427 | Q | 86.5 | Confident | 82.3 | Confident | 71 Ų | 71 | 76.3 Ų | 76.3 | 33% | 0.332 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 173.4 | -72.9 | -175.6 | -30.8 | 0 | 0 | 113.4 | A423 K425 Y478 K479 | A423-Q427 WeakPolarHBondContact O-CG 3.33Å; A423-Q427 PolarHBondContact O-N 3.44Å; K425-Q427 VanDerWaalsContact C-N 3.31Å; K425-Q427 PolarHBondContact O-N 3.05Å; Q427-Y478 VanDerWaalsContact CD-CE2 3.41Å; Q427-Y478 HydrophobicContact CG-CD2 4.49Å; Q427-Y478 HydrophobicContact CG-CE2 4.28Å; Q427-Y478 VanDerWaalsContact OE1-CD2 3.26Å; Q427-K479 PolarHBondContact NE2-O 2.84Å; Q427-K479 PolarHBondContact OE1-O 3.27Å |
| 428 | R | 76.3 | Confident | 82.1 | Confident | 94 Ų | 94 | 75.9 Ų | 75.9 | 36% | 0.355 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -81.4 | -14.5 | -179 | -64.6 | 179.1 | -147.4 | -168.9 | 7.4 | 114.2 | G424 K425 A426 R430 Q431 P476 L477 | G424-R428 WeakPolarHBondContact O-CG 3.48Å; G424-R428 PolarHBondContact O-N 2.92Å; K425-R428 PolarHBondContact O-N 3.28Å; K425-R428 VanDerWaalsContact O-N 3.13Å; A426-R428 PolarHBondContact O-N 2.82Å; R428-R430 PolarHBondContact O-N 3.35Å; R428-Q431 PolarHBondContact O-N 3.02Å; R428-P476 PolarHBondContact NH2-O 3.22Å; R428-L477 PolarHBondContact NH2-O 3.28Å |
| 429 | S | 60.2 | Low | 82.1 | Confident | 64 Ų | 64 | 70.4 Ų | 70.4 | 45% | 0.448 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -25.7 | -173.2 | 64.6 | 0 | 0 | 0 | 0 | 115.7 | K425 A426 Q431 H432 | K425-S429 PolarHBondContact O-N 2.96Å; A426-S429 WeakPolarHBondContact O-CB 3.41Å; A426-S429 PolarHBondContact O-N 3.38Å; A426-S429 PolarHBondContact O-OG 2.98Å; S429-Q431 VanDerWaalsContact C-N 3.27Å; S429-Q431 PolarHBondContact O-N 2.64Å; S429-H432 PolarHBondContact O-ND1 2.97Å |
| 430 | R | 57 | Low | 81.9 | Confident | 239 Ų | 239 | 70.3 Ų | 70.3 | 90% | 0.902 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -17.8 | 175.2 | -66.5 | -175.6 | 175.5 | -171.2 | -2.1 | 114.3 | R428 | R428-R430 PolarHBondContact O-N 3.35Š|
| 431 | Q | 60.8 | Low | 81.8 | Confident | 116 Ų | 116 | 70.4 Ų | 70.4 | 54% | 0.542 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -112.4 | 77.6 | 174.7 | -68.4 | 179.2 | -38.7 | 0 | 0 | 108.4 | T389 R428 S429 T433 | T389-Q431 PolarHBondContact OG1-NE2 2.8Å; R428-Q431 PolarHBondContact O-N 3.02Å; S429-Q431 VanDerWaalsContact C-N 3.27Å; S429-Q431 PolarHBondContact O-N 2.64Å; Q431-T433 PolarHBondContact O-N 2.65Å |
| 432 | H | 59.1 | Low | 81.7 | Confident | 124 Ų | 124 | 69.3 Ų | 69.3 | 57% | 0.574 | 35% | 0.352 | S | S | * | . | trans | -73.1 | 117.2 | 177.8 | -110.8 | 73.9 | 0 | 0 | 0 | 110.5 | S429 H434 | S429-H432 PolarHBondContact O-ND1 2.97Å; H432-H434 AromaticContact CD2-CE1 3.97Å; H432-H434 AromaticContact CD2-NE2 3.88Å | ||
| 433 | T | 67 | Low | 81.5 | Confident | 33 Ų | 33 | 71.2 Ų | 71.2 | 20% | 0.202 | 36% | 0.356 | C | S | . | . | trans | -125.4 | 136.7 | 165.7 | 79.1 | 0 | 0 | 0 | 0 | 107.4 | P388 L390 Q431 | P388-T433 HydrophobicContact CB-CG2 3.71Å; P388-T433 HydrophobicContact CG-CG2 3.5Å; L390-T433 HydrophobicContact CD2-CG2 3.82Å; L390-T433 VanDerWaalsContact CD2-OG1 3.22Å; L390-T433 WeakPolarHBondContact CD2-OG1 3.21Å; Q431-T433 PolarHBondContact O-N 2.65Å | ||
| 434 | H | 70.1 | Confident | 81.3 | Confident | 166 Ų | 166 | 74.4 Ų | 74.4 | 77% | 0.769 | 37% | 0.372 | S | S | * | . | trans | -93.8 | -5.5 | 172 | -70 | -72.4 | 0 | 0 | 0 | 113.2 | H432 | H432-H434 AromaticContact CD2-CE1 3.97Å; H432-H434 AromaticContact CD2-NE2 3.88Å | ||
| 435 | M | 82.5 | Confident | 81 | Confident | 41 Ų | 41 | 78.5 Ų | 78.5 | 20% | 0.202 | 39% | 0.393 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 139 | 179.7 | -154.4 | -173.8 | -170.3 | 0 | 0 | 112.3 | A368 L390 P438 | A368-M435 HydrophobicContact CB-CE 4.03Å; A368-M435 HydrophobicContact CB-SD 4.09Å; L390-M435 HydrophobicContact CD1-CB 4.39Å; L390-M435 HydrophobicContact CD1-CG 4.48Å; L390-M435 HydrophobicContact CD1-SD 3.78Å; L390-M435 HydrophobicContact CD2-CB 4.13Å; M435-P438 HydrophobicContact CE-CB 4Å |
| 436 | S | 87.1 | Confident | 80.7 | Confident | 96 Ų | 96 | 73.8 Ų | 73.8 | 67% | 0.671 | 38% | 0.378 | S | S | * | . | P | Polyproline II helix | trans | -79.5 | 164.7 | 165.9 | 51.7 | 0 | 0 | 0 | 0 | 111.1 | P438 | S436-P438 WeakPolarHBondContact O-CD 3.43Š|
| 437 | W | 91.3 | Very high | 80.3 | Confident | 39 Ų | 39 | 76.4 Ų | 76.4 | 15% | 0.148 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -59.9 | 120.2 | 175.7 | 178.7 | -105 | 0 | 0 | 0 | 111 | L377 V379 T392 P393 Y394 I439 | L377-W437 HydrophobicContact CD2-CH2 4.14Å; V379-W437 HydrophobicContact CB-CZ3 4.09Å; V379-W437 HydrophobicContact CG2-CH2 3.59Å; V379-W437 HydrophobicContact CG2-CZ3 3.66Å; T392-W437 HydrophobicContact CG2-CH2 3.87Å; T392-W437 HydrophobicContact CG2-CZ3 3.91Å; P393-W437 VanDerWaalsContact CD-CE3 3.47Å; P393-W437 HydrophobicContact CG-CD2 3.76Å; P393-W437 HydrophobicContact CG-CE3 4.35Å; P393-W437 HydrophobicContact CG-CG 3.8Å; P393-W437 HydrophobicContact CG-CZ2 4.45Å; Y394-W437 AromaticContact CE2-CZ2 3.69Å; Y394-W437 HydrophobicContact CE2-CZ2 3.69Å; Y394-W437 AromaticContact CZ-CE2 3.93Å; Y394-W437 AromaticContact CZ-CZ2 3.92Å; Y394-W437 AromaticContact CZ-NE1 3.47Å; Y394-W437 PolarHBondContact OH-NE1 3.47Å; W437-I439 HydrophobicContact CZ2-CB 4.32Å; W437-I439 HydrophobicContact CZ2-CD1 3.97Å; W437-I439 HydrophobicContact CZ2-CG1 4.39Å; W437-I439 PolarHBondContact NE1-O 3.47Å |
| 438 | P | 91.7 | Very high | 79.9 | Confident | 12 Ų | 12 | 78.4 Ų | 78.4 | 8% | 0.078 | 41% | 0.411 | C | S | . | . | S | Bend | trans | -87 | -11.8 | -164.4 | 34 | -37.9 | 0 | 0 | 0 | 114.6 | I354 A368 V379 M435 S436 C440 | I354-P438 HydrophobicContact CD1-CB 3.64Å; I354-P438 HydrophobicContact CD1-CG 3.65Å; A368-P438 HydrophobicContact CB-CG 4.13Å; V379-P438 HydrophobicContact CG1-CG 4.36Å; M435-P438 HydrophobicContact CE-CB 4Å; S436-P438 WeakPolarHBondContact O-CD 3.43Å; P438-C440 PolarHBondContact O-N 2.88Å |
| 439 | I | 93.8 | Very high | 80.1 | Confident | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 42% | 0.416 | C | S | . | . | trans | -94.1 | 79.3 | 174.6 | -52.7 | 171.2 | 0 | 0 | 0 | 107.2 | F42 Q47 M49 G62 F352 I354 V370 Y394 W437 | F42-I439 HydrophobicContact CE2-CG1 4.28Å; F42-I439 HydrophobicContact CE2-CG2 4.41Å; Q47-I439 WeakPolarHBondContact O-CG2 3.07Å; M49-I439 HydrophobicContact CB-CD1 4.04Å; M49-I439 HydrophobicContact CB-CG2 4.01Å; M49-I439 HydrophobicContact CE-CD1 4.08Å; M49-I439 HydrophobicContact CG-CD1 4.44Å; M49-I439 HydrophobicContact SD-CD1 3.66Å; G62-I439 CarbonylContact C-O 3.57Å; G62-I439 VanDerWaalsContact C-O 3.25Å; F352-I439 HydrophobicContact CZ-CD1 4.44Å; I354-I439 HydrophobicContact CD1-CG1 4.01Å; V370-I439 HydrophobicContact CG2-CD1 4.28Å; Y394-I439 PolarHBondContact OH-O 3.47Å; W437-I439 HydrophobicContact CZ2-CB 4.32Å; W437-I439 HydrophobicContact CZ2-CD1 3.97Å; W437-I439 HydrophobicContact CZ2-CG1 4.39Å; W437-I439 PolarHBondContact NE1-O 3.47Å | ||
| 440 | C | 92.7 | Very high | 80.9 | Confident | 59 Ų | 59 | 84.4 Ų | 84.4 | 40% | 0.399 | 44% | 0.439 | S | S | . | . | trans | -114.2 | 22.7 | -170 | 54.5 | 0 | 0 | 0 | 0 | 114.2 | Q47 P438 | Q47-C440 PolarHBondContact OE1-SG 2.97Å; P438-C440 PolarHBondContact O-N 2.88Å | ||
| 441 | G | 92.1 | Very high | 82.2 | Confident | 2 Ų | 2 | 77.8 Ų | 77.8 | 2% | 0.021 | 42% | 0.418 | C | S | . | . | trans | -63 | 147.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | L46 Q47 G62 A63 | L46-G441 WeakPolarHBondContact O-CA 3.23Å; Q47-G441 WeakPolarHBondContact O-CA 3.25Å; Q47-G441 PolarHBondContact O-N 2.78Å; G62-G441 CarbonylContact C-O 3.56Å; G62-G441 WeakPolarHBondContact CA-O 3.2Å; A63-G441 PolarHBondContact N-O 3.44Å | ||
| 442 | G | 90.9 | Very high | 83.7 | Confident | 25 Ų | 25 | 74.9 Ų | 74.9 | 26% | 0.258 | 40% | 0.404 | S | S | . | . | S | Bend | trans | 70.5 | -171.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | S961 | G442-S961 CarbonylContact C-O 3.59Å; G442-S961 WeakPolarHBondContact CA-O 3.46Å |
| 443 | K | 90.1 | Very high | 85.4 | Confident | 134 Ų | 134 | 69.4 Ų | 69.4 | 58% | 0.583 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 129.3 | -178.4 | -67 | 175.5 | -176 | 166.8 | 0 | 110.6 | C960 S961 | K443-C960 CarbonylContact O-C 3.53Å; K443-C960 WeakPolarHBondContact O-CA 3.47Å; K443-C960 VanDerWaalsContact O-CB 3.24Å; K443-C960 WeakPolarHBondContact O-CB 3.47Å; K443-S961 PolarHBondContact N-O 2.89Å; K443-S961 PolarHBondContact O-N 3.48Å |
| 444 | N | 88.9 | Confident | 86.8 | Confident | 71 Ų | 71 | 67.9 Ų | 67.9 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 125.9 | 170.9 | -174.2 | -11.5 | 0 | 0 | 0 | 109.3 | P64 V66 A446 L959 | P64-N444 PolarHBondContact O-ND2 2.9Å; V66-N444 HydrophobicContact CG2-CB 4.45Å; N444-A446 VanDerWaalsContact OD1-CB 3.28Å; N444-A446 WeakPolarHBondContact OD1-CB 3.3Å; N444-A446 PolarHBondContact OD1-N 2.67Å; N444-L959 PolarHBondContact OD1-O 3.05Å |
| 445 | L | 86.8 | Confident | 88.1 | Confident | 90 Ų | 90 | 60 Ų | 60 | 47% | 0.471 | 33% | 0.333 | S | S | . | . | trans | -109 | -2.3 | 179.6 | -58.8 | -178.5 | 0 | 0 | 0 | 112.5 | L959 | L445-L959 WeakPolarHBondContact CA-O 3.39Å; L445-L959 PolarHBondContact N-O 3.1Å | ||
| 446 | A | 81.5 | Confident | 88.9 | Confident | 31 Ų | 31 | 58 Ų | 58 | 26% | 0.256 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -65.7 | 136.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | N444 L959 | N444-A446 VanDerWaalsContact OD1-CB 3.28Å; N444-A446 WeakPolarHBondContact OD1-CB 3.3Å; N444-A446 PolarHBondContact OD1-N 2.67Å; A446-L959 HydrophobicContact CB-CB 4.29Å; A446-L959 PolarHBondContact N-O 2.69Å |
| 447 | P | 80.4 | Confident | 89.4 | Confident | 97 Ų | 97 | 53.4 Ų | 53.4 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -64 | 148.6 | 174.7 | 28.5 | -34.8 | 0 | 0 | 0 | 110.2 | ||
| 448 | P | 78.4 | Confident | 89.7 | Confident | 113 Ų | 113 | 51.6 Ų | 51.6 | 73% | 0.734 | 28% | 0.284 | S | S | * | . | P | Polyproline II helix | trans | -58.2 | 143.1 | 176.6 | 25.2 | -34.3 | 0 | 0 | 0 | 110.6 | K450 | P448-K450 PolarHBondContact O-N 3Š|
| 449 | P | 79.9 | Confident | 89.9 | Confident | 73 Ų | 73 | 51 Ų | 51 | 47% | 0.474 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 127.1 | -172.4 | 25.8 | -34.3 | 0 | 0 | 0 | 111.3 | Q451 S470 | P449-Q451 PolarHBondContact O-N 2.91Å; P449-S470 WeakPolarHBondContact CB-O 3.28Å |
| 450 | K | 77.9 | Confident | 89.8 | Confident | 212 Ų | 212 | 53.1 Ų | 53.1 | 92% | 0.922 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -64.8 | -18.9 | -179.2 | -67.3 | -173 | 177.1 | -175.1 | 0 | 113.7 | P448 | P448-K450 PolarHBondContact O-N 3Š|
| 451 | Q | 83.3 | Confident | 89.8 | Confident | 99 Ų | 99 | 52.7 Ų | 52.7 | 46% | 0.463 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -143.2 | 140.6 | 179.7 | -68.2 | -176.1 | -11.7 | 0 | 0 | 108.9 | S411 P449 | S411-Q451 VanDerWaalsContact OG-CD 3.3Å; S411-Q451 PolarHBondContact OG-OE1 3.12Å; P449-Q451 PolarHBondContact O-N 2.91Å |
| 452 | Q | 92.5 | Very high | 89.8 | Confident | 55 Ų | 55 | 52.6 Ų | 52.6 | 26% | 0.257 | 28% | 0.283 | S | S | . | . | trans | -80 | 133.3 | 172.3 | -73.8 | 162.4 | -12.6 | 0 | 0 | 109.9 | S411 V412 W417 S470 | S411-Q452 WeakPolarHBondContact CA-O 3.16Å; S411-Q452 PolarHBondContact N-O 2.87Å; S411-Q452 VanDerWaalsContact N-O 3.13Å; V412-Q452 HydrophobicContact CB-CB 4.17Å; V412-Q452 PolarHBondContact N-O 3.08Å; W417-Q452 VanDerWaalsContact CB-OE1 3.31Å; W417-Q452 VanDerWaalsContact CD1-NE2 3.27Å; W417-Q452 HydrophobicContact CD2-CB 4.1Å; W417-Q452 HydrophobicContact CD2-CG 3.91Å; W417-Q452 HydrophobicContact CE3-CB 3.8Å; W417-Q452 HydrophobicContact CE3-CG 4.14Å; W417-Q452 VanDerWaalsContact CG-CD 3.44Å; W417-Q452 HydrophobicContact CG-CG 4.34Å; W417-Q452 VanDerWaalsContact CG-OE1 3.29Å; W417-Q452 HydrophobicContact CH2-CB 4.31Å; W417-Q452 HydrophobicContact CH2-CG 4.42Å; W417-Q452 HydrophobicContact CZ2-CG 4.24Å; W417-Q452 HydrophobicContact CZ3-CB 3.9Å; W417-Q452 HydrophobicContact CZ3-CG 4.37Å; Q452-S470 WeakPolarHBondContact CA-OG 3.11Å | ||
| 453 | E | 94.4 | Very high | 90.1 | Very high | 10 Ų | 10 | 51.9 Ų | 51.9 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | trans | -126.1 | 136.2 | 178.4 | -54.2 | -152.8 | 101.5 | 0 | 0 | 110.6 | H408 I409 S410 A469 S470 N933 | H408-E453 IonicContact CE1-OE1 2.74Å; H408-E453 PolarHBondContact CE1-OE1 2.91Å; I409-E453 WeakPolarHBondContact O-CA 3.39Å; S410-E453 WeakPolarHBondContact CA-OE1 3.32Å; S410-E453 WeakPolarHBondContact CB-OE1 3.3Å; S410-E453 PolarHBondContact OG-OE1 2.77Å; E453-A469 HydrophobicContact CB-CB 4.4Å; E453-A469 PolarHBondContact O-N 3.43Å; E453-S470 PolarHBondContact N-OG 2.8Å; E453-N933 PolarHBondContact OE1-ND2 3.26Å; E453-N933 PolarHBondContact OE2-ND2 3.41Å | ||
| 454 | L | 96.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 128.7 | 176.1 | -77.9 | 169.2 | 0 | 0 | 0 | 110.5 | H408 I409 V412 W417 L420 L456 L477 | H408-L454 WeakPolarHBondContact CA-O 3.42Å; I409-L454 HydrophobicContact CB-CB 4.41Å; I409-L454 PolarHBondContact N-O 3.34Å; I409-L454 PolarHBondContact O-N 2.81Å; V412-L454 HydrophobicContact CG1-CD1 4.1Å; V412-L454 HydrophobicContact CG2-CB 4.25Å; V412-L454 HydrophobicContact CG2-CD1 3.9Å; V412-L454 HydrophobicContact CG2-CG 3.93Å; W417-L454 HydrophobicContact CE3-CD2 4.29Å; W417-L454 HydrophobicContact CE3-CG 4.33Å; W417-L454 HydrophobicContact CZ3-CD2 3.71Å; W417-L454 HydrophobicContact CZ3-CG 3.88Å; L420-L454 HydrophobicContact CD1-CD1 3.72Å; L420-L454 HydrophobicContact CD1-CD2 4.46Å; L454-L456 HydrophobicContact CB-CD2 4.44Å; L454-L477 HydrophobicContact CD2-CD1 3.65Å |
| 455 | L | 97.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.9 | 158.3 | -179.9 | 65.1 | 0 | 0 | 0 | 108.4 | W467 A469 L474 V929 Y945 | L455-W467 HydrophobicContact CB-CB 4.33Å; L455-W467 PolarHBondContact N-O 2.81Å; L455-W467 VanDerWaalsContact N-O 3.11Å; L455-W467 PolarHBondContact O-N 3.13Å; L455-A469 HydrophobicContact CB-CB 3.83Å; L455-L474 HydrophobicContact CB-CD1 4.42Å; L455-L474 HydrophobicContact CD2-CD1 4.18Å; L455-L474 HydrophobicContact CD2-CD2 4.36Å; L455-V929 HydrophobicContact CD1-CG1 4.23Å; L455-Y945 HydrophobicContact CD2-CD2 4.21Å; L455-Y945 HydrophobicContact CD2-CE2 4.17Å |
| 456 | L | 98 | Very high | 91.3 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 128.4 | 174.3 | -51 | -178.3 | 0 | 0 | 0 | 108.6 | S406 C407 I409 L454 V464 R465 F466 I531 L533 | S406-L456 WeakPolarHBondContact CA-O 3.28Å; C407-L456 HydrophobicContact CB-CB 4.34Å; C407-L456 PolarHBondContact N-O 2.9Å; C407-L456 PolarHBondContact O-N 3.03Å; I409-L456 HydrophobicContact CD1-CD1 4.16Å; L454-L456 HydrophobicContact CB-CD2 4.44Å; L456-V464 HydrophobicContact CB-CG1 4.49Å; L456-R465 WeakPolarHBondContact CA-O 3.47Å; L456-F466 HydrophobicContact CD1-CE1 4.42Å; L456-F466 HydrophobicContact CD2-CB 4.19Å; L456-F466 HydrophobicContact CD2-CD1 3.23Å; L456-F466 HydrophobicContact CD2-CD2 4.19Å; L456-F466 HydrophobicContact CD2-CE1 3.46Å; L456-F466 VanDerWaalsContact CD2-CE1 3.46Å; L456-F466 HydrophobicContact CD2-CE2 4.38Å; L456-F466 HydrophobicContact CD2-CG 3.61Å; L456-F466 HydrophobicContact CD2-CZ 4.04Å; L456-I531 HydrophobicContact CB-CD1 4.36Å; L456-I531 HydrophobicContact CB-CG2 4.35Å; L456-I531 HydrophobicContact CD1-CG2 3.69Å; L456-L533 HydrophobicContact CD1-CB 4.21Å; L456-L533 HydrophobicContact CD1-CD2 4.03Å |
| 457 | T | 98 | Very high | 92 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 130.3 | 173 | 55.4 | 0 | 0 | 0 | 0 | 110.1 | I403 C405 H459 V464 R465 W467 Y945 | I403-T457 HydrophobicContact CG2-CG2 4.44Å; C405-T457 WeakPolarHBondContact O-CA 3.42Å; T457-H459 WeakPolarHBondContact CB-NE2 3.38Å; T457-H459 PolarHBondContact O-CD2 3.31Å; T457-H459 VanDerWaalsContact O-CD2 3.22Å; T457-H459 PolarHBondContact O-NE2 2.59Å; T457-H459 PolarHBondContact OG1-CE1 3.3Å; T457-H459 PolarHBondContact OG1-NE2 3.18Å; T457-V464 CarbonylContact O-C 3.59Å; T457-V464 VanDerWaalsContact O-CA 3.27Å; T457-V464 WeakPolarHBondContact O-CA 3.27Å; T457-R465 PolarHBondContact N-O 3.42Å; T457-R465 PolarHBondContact O-N 3.44Å; T457-W467 PolarHBondContact OG1-NE1 2.83Å; T457-Y945 HydrophobicContact CG2-CE2 4.09Å |
| 458 | G | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 148.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | T404 C405 | T404-G458 PolarHBondContact N-O 3.48Å; T404-G458 VanDerWaalsContact OG1-C 3.25Å; T404-G458 PolarHBondContact OG1-O 2.96Å; T404-G458 VanDerWaalsContact OG1-O 3.09Å; C405-G458 PolarHBondContact N-O 3.09Å; C405-G458 PolarHBondContact O-N 3.42Å |
| 459 | H | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 165.5 | -168.5 | -54.8 | -101.7 | 0 | 0 | 0 | 113.3 | L398 S401 A402 T404 T457 D461 G462 T463 R465 G527 I528 | L398-H459 PolarHBondContact O-CE1 3.19Å; S401-H459 PolarHBondContact O-ND1 2.98Å; A402-H459 CarbonylContact O-C 3.6Å; A402-H459 WeakPolarHBondContact O-CA 3.44Å; T404-H459 WeakPolarHBondContact OG1-CA 3.34Å; T404-H459 PolarHBondContact OG1-N 2.88Å; T457-H459 WeakPolarHBondContact CB-NE2 3.38Å; T457-H459 PolarHBondContact O-CD2 3.31Å; T457-H459 VanDerWaalsContact O-CD2 3.22Å; T457-H459 PolarHBondContact O-NE2 2.59Å; T457-H459 PolarHBondContact OG1-CE1 3.3Å; T457-H459 PolarHBondContact OG1-NE2 3.18Å; H459-D461 VanDerWaalsContact C-N 3.29Å; H459-D461 VanDerWaalsContact CB-OD1 3.3Å; H459-D461 WeakPolarHBondContact CB-OD1 3.47Å; H459-D461 PolarHBondContact O-N 2.98Å; H459-G462 PolarHBondContact O-N 2.85Å; H459-T463 PolarHBondContact CD2-O 2.78Å; H459-T463 PolarHBondContact N-O 3.4Å; H459-T463 VanDerWaalsContact N-O 3.13Å; H459-R465 PolarHBondContact CD2-NH1 3.05Å; H459-R465 PolarHBondContact CE1-NH1 3Å; H459-R465 VanDerWaalsContact CE1-NH1 3.34Å; H459-R465 PolarHBondContact ND1-NH1 3.24Å; H459-R465 WeakPolarHBondContact NE2-CD 3.47Å; H459-R465 PolarHBondContact NE2-NH1 3.44Å; H459-R465 VanDerWaalsContact NE2-NH1 3.18Å; H459-G527 WeakPolarHBondContact O-CA 3.43Å; H459-I528 PolarHBondContact O-N 2.89Å |
| 460 | E | 93.4 | Very high | 94.2 | Very high | 45 Ų | 45 | 26.6 Ų | 26.6 | 21% | 0.21 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -28.2 | -179.5 | -163.8 | 172.8 | -170.1 | 0 | 0 | 112.6 | A402 T404 G462 S521 G527 K669 | A402-E460 HydrophobicContact CB-CB 4.25Å; A402-E460 PolarHBondContact O-N 2.72Å; T404-E460 HydrophobicContact CG2-CB 4.17Å; E460-G462 PolarHBondContact O-N 2.9Å; E460-S521 VanDerWaalsContact CD-OG 3.32Å; E460-S521 WeakPolarHBondContact CG-OG 3.12Å; E460-S521 PolarHBondContact OE1-OG 2.79Å; E460-G527 WeakPolarHBondContact O-CA 3.26Å; E460-G527 PolarHBondContact O-N 3.02Å; E460-K669 IonicContact OE1-NZ 2.71Å; E460-K669 PolarHBondContact OE1-NZ 2.85Å; E460-K669 VanDerWaalsContact OE1-NZ 3.09Å |
| 461 | D | 91.1 | Very high | 94.7 | Very high | 49 Ų | 49 | 17.5 Ų | 17.5 | 26% | 0.262 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | 3.9 | 175 | 69.4 | -5.4 | 0 | 0 | 0 | 115.2 | S401 H459 T463 R465 | S401-D461 VanDerWaalsContact CB-OD2 3.24Å; S401-D461 WeakPolarHBondContact CB-OD2 3.5Å; S401-D461 WeakPolarHBondContact OG-CB 3.48Å; S401-D461 VanDerWaalsContact OG-CG 3.31Å; S401-D461 PolarHBondContact OG-N 2.62Å; S401-D461 VanDerWaalsContact OG-N 3.15Å; H459-D461 VanDerWaalsContact C-N 3.29Å; H459-D461 VanDerWaalsContact CB-OD1 3.3Å; H459-D461 WeakPolarHBondContact CB-OD1 3.47Å; H459-D461 PolarHBondContact O-N 2.98Å; D461-T463 VanDerWaalsContact C-N 3.29Å; D461-T463 VanDerWaalsContact CG-CG2 3.44Å; D461-T463 PolarHBondContact O-N 3.44Å; D461-T463 VanDerWaalsContact OD1-CB 3.22Å; D461-T463 WeakPolarHBondContact OD1-CB 3.19Å; D461-T463 WeakPolarHBondContact OD1-CG2 3.33Å; D461-T463 PolarHBondContact OD1-N 3.31Å; D461-T463 PolarHBondContact OD1-OG1 3.01Å; D461-T463 VanDerWaalsContact OD2-CG2 3.29Å; D461-T463 WeakPolarHBondContact OD2-CG2 3.22Å; D461-T463 PolarHBondContact OD2-OG1 3.36Å; D461-T463 VanDerWaalsContact OD2-OG1 3.04Å; D461-R465 IonicContact OD2-NH1 2.78Å; D461-R465 IonicContact OD2-NH2 3.77Å |
| 462 | G | 93.6 | Very high | 95 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.072 | C | C | . | . | S | Bend | trans | 72.1 | 18.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | H459 E460 T482 L526 | H459-G462 PolarHBondContact O-N 2.85Å; E460-G462 PolarHBondContact O-N 2.9Å; G462-T482 PolarHBondContact O-N 3.01Å; G462-T482 PolarHBondContact O-OG1 2.56Å; G462-L526 VanDerWaalsContact CA-O 3.26Å; G462-L526 WeakPolarHBondContact CA-O 3.36Å |
| 463 | T | 95.8 | Very high | 94.9 | Very high | 10 Ų | 10 | 11.5 Ų | 11.5 | 6% | 0.061 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 156.4 | 175 | 68.5 | 0 | 0 | 0 | 0 | 112 | H459 D461 R465 L480 | H459-T463 PolarHBondContact CD2-O 2.78Å; H459-T463 PolarHBondContact N-O 3.4Å; H459-T463 VanDerWaalsContact N-O 3.13Å; D461-T463 VanDerWaalsContact C-N 3.29Å; D461-T463 VanDerWaalsContact CG-CG2 3.44Å; D461-T463 PolarHBondContact O-N 3.44Å; D461-T463 VanDerWaalsContact OD1-CB 3.22Å; D461-T463 WeakPolarHBondContact OD1-CB 3.19Å; D461-T463 WeakPolarHBondContact OD1-CG2 3.33Å; D461-T463 PolarHBondContact OD1-N 3.31Å; D461-T463 PolarHBondContact OD1-OG1 3.01Å; D461-T463 VanDerWaalsContact OD2-CG2 3.29Å; D461-T463 WeakPolarHBondContact OD2-CG2 3.22Å; D461-T463 PolarHBondContact OD2-OG1 3.36Å; D461-T463 VanDerWaalsContact OD2-OG1 3.04Å; T463-R465 PolarHBondContact OG1-NH1 2.98Å; T463-L480 CarbonylContact C-O 3.48Å; T463-L480 WeakPolarHBondContact CA-O 3.2Å; T463-L480 WeakPolarHBondContact CB-O 3.22Å |
| 464 | V | 97.8 | Very high | 94.9 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 118.3 | 168.4 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | L456 T457 F466 L480 I528 I531 V542 | L456-V464 HydrophobicContact CB-CG1 4.49Å; T457-V464 CarbonylContact O-C 3.59Å; T457-V464 VanDerWaalsContact O-CA 3.27Å; T457-V464 WeakPolarHBondContact O-CA 3.27Å; V464-F466 HydrophobicContact CB-CE2 4.44Å; V464-F466 HydrophobicContact CG1-CD2 4.28Å; V464-F466 HydrophobicContact CG1-CE2 3.83Å; V464-L480 HydrophobicContact CB-CB 4.25Å; V464-L480 HydrophobicContact CB-CD2 4.48Å; V464-L480 PolarHBondContact N-O 2.9Å; V464-L480 PolarHBondContact O-N 2.81Å; V464-I528 HydrophobicContact CG2-CG1 4.01Å; V464-I528 HydrophobicContact CG2-CG2 4.13Å; V464-I531 HydrophobicContact CG1-CD1 3.75Å; V464-I531 HydrophobicContact CG2-CD1 3.96Å; V464-I531 HydrophobicContact CG2-CG1 4.28Å; V464-V542 HydrophobicContact CG2-CG1 3.9Å |
| 465 | R | 97 | Very high | 94.7 | Very high | 21 Ų | 21 | 13.3 Ų | 13.3 | 8% | 0.079 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 136.3 | 177.5 | -62.3 | 175.2 | 178.8 | 61.4 | -0.7 | 109.6 | S400 L456 T457 H459 D461 T463 W467 K479 | S400-R465 VanDerWaalsContact OG-CZ 3.29Å; S400-R465 PolarHBondContact OG-NE 3.04Å; S400-R465 VanDerWaalsContact OG-NE 3.15Å; S400-R465 PolarHBondContact OG-NH2 2.84Å; L456-R465 WeakPolarHBondContact CA-O 3.47Å; T457-R465 PolarHBondContact N-O 3.42Å; T457-R465 PolarHBondContact O-N 3.44Å; H459-R465 PolarHBondContact CD2-NH1 3.05Å; H459-R465 PolarHBondContact CE1-NH1 3Å; H459-R465 VanDerWaalsContact CE1-NH1 3.34Å; H459-R465 PolarHBondContact ND1-NH1 3.24Å; H459-R465 WeakPolarHBondContact NE2-CD 3.47Å; H459-R465 PolarHBondContact NE2-NH1 3.44Å; H459-R465 VanDerWaalsContact NE2-NH1 3.18Å; D461-R465 IonicContact OD2-NH1 2.78Å; D461-R465 IonicContact OD2-NH2 3.77Å; T463-R465 PolarHBondContact OG1-NH1 2.98Å; R465-W467 HydrophobicContact CB-CZ2 3.7Å; R465-W467 VanDerWaalsContact CD-CZ2 3.48Å; R465-W467 HydrophobicContact CG-CZ2 4.22Å; R465-K479 HydrophobicContact CG-CG 4.47Å |
| 466 | F | 97.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 125.7 | 179.9 | -73 | -116.9 | 0 | 0 | 0 | 109.2 | L420 L456 V464 L477 Y478 L480 L533 L540 F598 | L420-F466 HydrophobicContact CD1-CD1 4.29Å; L420-F466 HydrophobicContact CD2-CD1 4.2Å; L420-F466 HydrophobicContact CD2-CE1 4.21Å; L456-F466 HydrophobicContact CD1-CE1 4.42Å; L456-F466 HydrophobicContact CD2-CB 4.19Å; L456-F466 HydrophobicContact CD2-CD1 3.23Å; L456-F466 HydrophobicContact CD2-CD2 4.19Å; L456-F466 HydrophobicContact CD2-CE1 3.46Å; L456-F466 VanDerWaalsContact CD2-CE1 3.46Å; L456-F466 HydrophobicContact CD2-CE2 4.38Å; L456-F466 HydrophobicContact CD2-CG 3.61Å; L456-F466 HydrophobicContact CD2-CZ 4.04Å; V464-F466 HydrophobicContact CB-CE2 4.44Å; V464-F466 HydrophobicContact CG1-CD2 4.28Å; V464-F466 HydrophobicContact CG1-CE2 3.83Å; F466-L477 HydrophobicContact CB-CB 4.42Å; F466-L477 PolarHBondContact O-N 3.41Å; F466-Y478 WeakPolarHBondContact CB-O 3.46Å; F466-Y478 AromaticContact CD2-CD1 3.72Å; F466-Y478 HydrophobicContact CD2-CD1 3.72Å; F466-Y478 AromaticContact CE2-CD1 3.93Å; F466-Y478 HydrophobicContact CE2-CD1 3.93Å; F466-Y478 HydrophobicContact CE2-CE1 4.32Å; F466-Y478 HydrophobicContact CG-CD1 4.22Å; F466-Y478 PolarHBondContact N-O 3.42Å; F466-L480 HydrophobicContact CE2-CB 4.5Å; F466-L533 HydrophobicContact CE1-CD2 3.99Å; F466-L540 HydrophobicContact CZ-CD2 4.15Å; F466-F598 HydrophobicContact CE1-CD2 4.17Å; F466-F598 AromaticContact CE1-CE2 3.45Å; F466-F598 HydrophobicContact CE1-CE2 3.45Å; F466-F598 VanDerWaalsContact CE1-CE2 3.45Å; F466-F598 HydrophobicContact CE1-CZ 4.25Å; F466-F598 HydrophobicContact CE2-CD2 4.27Å; F466-F598 HydrophobicContact CE2-CE2 4.35Å; F466-F598 AromaticContact CZ-CD2 3.63Å; F466-F598 HydrophobicContact CZ-CD2 3.63Å; F466-F598 AromaticContact CZ-CE2 3.35Å; F466-F598 HydrophobicContact CZ-CE2 3.35Å; F466-F598 HydrophobicContact CZ-CZ 4.28Å |
| 467 | W | 96.4 | Very high | 94.2 | Very high | 8 Ų | 8 | 15.7 Ų | 15.7 | 3% | 0.03 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 138.2 | -174.2 | -48.4 | 94.9 | 0 | 0 | 0 | 111.6 | A396 L398 L455 T457 R465 A469 L474 T475 P476 | A396-W467 HydrophobicContact CB-CH2 3.96Å; A396-W467 HydrophobicContact CB-CZ3 3.54Å; L398-W467 HydrophobicContact CD2-CD2 4.3Å; L398-W467 HydrophobicContact CD2-CE3 4.16Å; L398-W467 HydrophobicContact CD2-CH2 3.39Å; L398-W467 HydrophobicContact CD2-CZ2 3.5Å; L398-W467 VanDerWaalsContact CD2-CZ2 3.5Å; L398-W467 HydrophobicContact CD2-CZ3 3.73Å; L455-W467 HydrophobicContact CB-CB 4.33Å; L455-W467 PolarHBondContact N-O 2.81Å; L455-W467 VanDerWaalsContact N-O 3.11Å; L455-W467 PolarHBondContact O-N 3.13Å; T457-W467 PolarHBondContact OG1-NE1 2.83Å; R465-W467 HydrophobicContact CB-CZ2 3.7Å; R465-W467 VanDerWaalsContact CD-CZ2 3.48Å; R465-W467 HydrophobicContact CG-CZ2 4.22Å; W467-A469 PolarHBondContact O-N 3.26Å; W467-L474 HydrophobicContact CB-CD1 3.54Å; W467-L474 HydrophobicContact CB-CD2 4.47Å; W467-L474 HydrophobicContact CB-CG 3.87Å; W467-L474 HydrophobicContact CD2-CD2 4.38Å; W467-L474 HydrophobicContact CD2-CG 4.38Å; W467-L474 HydrophobicContact CE3-CD2 4.49Å; W467-L474 HydrophobicContact CE3-CG 4.28Å; W467-L474 HydrophobicContact CG-CD1 4.28Å; W467-L474 HydrophobicContact CG-CD2 4.38Å; W467-L474 HydrophobicContact CG-CG 4.24Å; W467-T475 WeakPolarHBondContact CA-O 3.29Å; W467-P476 HydrophobicContact CE3-CB 3.89Å; W467-P476 HydrophobicContact CH2-CB 4.49Å; W467-P476 HydrophobicContact CZ3-CB 3.62Å; W467-P476 HydrophobicContact CZ3-CG 4.22Å |
| 468 | D | 95.6 | Very high | 94.1 | Very high | 37 Ų | 37 | 16.2 Ų | 16.2 | 20% | 0.198 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 107.1 | 166.1 | -176.3 | -7.5 | 0 | 0 | 0 | 109.3 | W417 S470 L474 T475 L477 | W417-D468 HydrophobicContact CH2-CB 3.8Å; W417-D468 VanDerWaalsContact CH2-CG 3.42Å; W417-D468 WeakPolarHBondContact CH2-OD1 3.4Å; W417-D468 HydrophobicContact CZ2-CB 4.14Å; W417-D468 WeakPolarHBondContact CZ2-OD2 3.49Å; D468-S470 WeakPolarHBondContact OD1-CB 3.36Å; D468-S470 PolarHBondContact OD1-N 3.18Å; D468-S470 PolarHBondContact OD1-OG 3.34Å; D468-L474 WeakPolarHBondContact O-CA 3.17Å; D468-T475 PolarHBondContact N-O 3.25Å; D468-T475 PolarHBondContact O-N 2.81Å; D468-L477 HydrophobicContact CB-CD1 4.19Å; D468-L477 HydrophobicContact CB-CD2 4.28Å; D468-L477 HydrophobicContact CB-CG 4.28Å |
| 469 | A | 94.8 | Very high | 94 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -103.1 | 14.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | E453 L455 W467 G471 L474 F937 R947 | E453-A469 HydrophobicContact CB-CB 4.4Å; E453-A469 PolarHBondContact O-N 3.43Å; L455-A469 HydrophobicContact CB-CB 3.83Å; W467-A469 PolarHBondContact O-N 3.26Å; A469-G471 VanDerWaalsContact C-N 3.32Å; A469-G471 PolarHBondContact O-N 3.35Å; A469-L474 HydrophobicContact CB-CD1 4.16Å; A469-F937 HydrophobicContact CB-CZ 4.08Å; A469-R947 PolarHBondContact O-NH1 3.41Å; A469-R947 PolarHBondContact O-NH2 2.96Å | ||
| 470 | S | 92.6 | Very high | 94 | Very high | 12 Ų | 12 | 21.1 Ų | 21.1 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -73.4 | -22.7 | -174.7 | -39.5 | 0 | 0 | 0 | 0 | 113.2 | P449 Q452 E453 D468 | P449-S470 WeakPolarHBondContact CB-O 3.28Å; Q452-S470 WeakPolarHBondContact CA-OG 3.11Å; E453-S470 PolarHBondContact N-OG 2.8Å; D468-S470 WeakPolarHBondContact OD1-CB 3.36Å; D468-S470 PolarHBondContact OD1-N 3.18Å; D468-S470 PolarHBondContact OD1-OG 3.34Å |
| 471 | G | 89.1 | Confident | 94 | Very high | 21 Ų | 21 | 20.6 Ų | 20.6 | 22% | 0.216 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -138.5 | -153.8 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115 | A469 R947 | A469-G471 VanDerWaalsContact C-N 3.32Å; A469-G471 PolarHBondContact O-N 3.35Å; G471-R947 PolarHBondContact O-NH2 2.8Å |
| 472 | V | 90.3 | Very high | 94.2 | Very high | 12 Ų | 12 | 18.5 Ų | 18.5 | 7% | 0.073 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -77.1 | -41 | -177.6 | 179.8 | 0 | 0 | 0 | 0 | 111.7 | V29 H31 E67 T956 P958 | V29-V472 HydrophobicContact CG2-CG1 4.14Å; H31-V472 PolarHBondContact CE1-O 3.43Å; H31-V472 PolarHBondContact ND1-O 3.11Å; E67-V472 VanDerWaalsContact CD-CG1 3.42Å; E67-V472 HydrophobicContact CG-CG1 3.97Å; E67-V472 WeakPolarHBondContact OE1-CG1 3.41Å; V472-T956 HydrophobicContact CG2-CG2 4.46Å; V472-P958 HydrophobicContact CG1-CB 4.1Å |
| 473 | A | 90.8 | Very high | 94 | Very high | 16 Ų | 16 | 19.7 Ų | 19.7 | 13% | 0.132 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -92.7 | 109.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | P64 T475 | P64-A473 HydrophobicContact CB-CB 4.29Å; A473-T475 PolarHBondContact O-N 2.82Å; A473-T475 PolarHBondContact O-OG1 3.09Å; A473-T475 VanDerWaalsContact O-OG1 3.13Å |
| 474 | L | 93.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 23.1 Ų | 23.1 | 5% | 0.047 | 14% | 0.14 | C | C | . | . | trans | -69.1 | 88.3 | 174.2 | -173 | 73.4 | 0 | 0 | 0 | 111.2 | H31 L398 L455 W467 D468 A469 | H31-L474 HydrophobicContact CB-CB 3.74Å; H31-L474 HydrophobicContact CB-CD2 3.75Å; H31-L474 HydrophobicContact CB-CG 4.28Å; L398-L474 HydrophobicContact CD1-CD2 3.96Å; L398-L474 HydrophobicContact CD2-CD2 3.92Å; L455-L474 HydrophobicContact CB-CD1 4.42Å; L455-L474 HydrophobicContact CD2-CD1 4.18Å; L455-L474 HydrophobicContact CD2-CD2 4.36Å; W467-L474 HydrophobicContact CB-CD1 3.54Å; W467-L474 HydrophobicContact CB-CD2 4.47Å; W467-L474 HydrophobicContact CB-CG 3.87Å; W467-L474 HydrophobicContact CD2-CD2 4.38Å; W467-L474 HydrophobicContact CD2-CG 4.38Å; W467-L474 HydrophobicContact CE3-CD2 4.49Å; W467-L474 HydrophobicContact CE3-CG 4.28Å; W467-L474 HydrophobicContact CG-CD1 4.28Å; W467-L474 HydrophobicContact CG-CD2 4.38Å; W467-L474 HydrophobicContact CG-CG 4.24Å; D468-L474 WeakPolarHBondContact O-CA 3.17Å; A469-L474 HydrophobicContact CB-CD1 4.16Å | ||
| 475 | T | 92.1 | Very high | 93.3 | Very high | 40 Ų | 40 | 23.5 Ų | 23.5 | 25% | 0.245 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 130.4 | -170 | -53.2 | 0 | 0 | 0 | 0 | 111.3 | P393 W467 D468 A473 L477 | P393-T475 PolarHBondContact O-OG1 2.86Å; W467-T475 WeakPolarHBondContact CA-O 3.29Å; D468-T475 PolarHBondContact N-O 3.25Å; D468-T475 PolarHBondContact O-N 2.81Å; A473-T475 PolarHBondContact O-N 2.82Å; A473-T475 PolarHBondContact O-OG1 3.09Å; A473-T475 VanDerWaalsContact O-OG1 3.13Å; T475-L477 PolarHBondContact O-N 3.36Å |
| 476 | P | 92.8 | Very high | 93.1 | Very high | 31 Ų | 31 | 22.5 Ų | 22.5 | 20% | 0.201 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 129 | 173.8 | 24.6 | -31.4 | 0 | 0 | 0 | 111.3 | R428 W467 | R428-P476 PolarHBondContact NH2-O 3.22Å; W467-P476 HydrophobicContact CE3-CB 3.89Å; W467-P476 HydrophobicContact CH2-CB 4.49Å; W467-P476 HydrophobicContact CZ3-CB 3.62Å; W467-P476 HydrophobicContact CZ3-CG 4.22Å |
| 477 | L | 93.9 | Very high | 92.6 | Very high | 18 Ų | 18 | 26.9 Ų | 26.9 | 9% | 0.094 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -65.6 | 177.1 | -60.1 | 176.5 | 0 | 0 | 0 | 111.4 | W417 I421 G424 R428 L454 F466 D468 T475 | W417-L477 HydrophobicContact CH2-CD1 3.94Å; W417-L477 HydrophobicContact CZ2-CD1 4.27Å; W417-L477 HydrophobicContact CZ3-CD1 4.12Å; I421-L477 HydrophobicContact CG1-CD2 4.17Å; G424-L477 WeakPolarHBondContact CA-O 3.44Å; R428-L477 PolarHBondContact NH2-O 3.28Å; L454-L477 HydrophobicContact CD2-CD1 3.65Å; F466-L477 HydrophobicContact CB-CB 4.42Å; F466-L477 PolarHBondContact O-N 3.41Å; D468-L477 HydrophobicContact CB-CD1 4.19Å; D468-L477 HydrophobicContact CB-CD2 4.28Å; D468-L477 HydrophobicContact CB-CG 4.28Å; T475-L477 PolarHBondContact O-N 3.36Å |
| 478 | Y | 95.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 5% | 0.047 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 148.3 | -169.3 | 173 | -100.1 | 0 | 0 | 0 | 111.7 | A423 Q427 F466 L480 G597 F598 | A423-Y478 HydrophobicContact CB-CD2 3.82Å; A423-Y478 HydrophobicContact CB-CE2 3.87Å; Q427-Y478 VanDerWaalsContact CD-CE2 3.41Å; Q427-Y478 HydrophobicContact CG-CD2 4.49Å; Q427-Y478 HydrophobicContact CG-CE2 4.28Å; Q427-Y478 VanDerWaalsContact OE1-CD2 3.26Å; F466-Y478 WeakPolarHBondContact CB-O 3.46Å; F466-Y478 AromaticContact CD2-CD1 3.72Å; F466-Y478 HydrophobicContact CD2-CD1 3.72Å; F466-Y478 AromaticContact CE2-CD1 3.93Å; F466-Y478 HydrophobicContact CE2-CD1 3.93Å; F466-Y478 HydrophobicContact CE2-CE1 4.32Å; F466-Y478 HydrophobicContact CG-CD1 4.22Å; F466-Y478 PolarHBondContact N-O 3.42Å; Y478-L480 HydrophobicContact CE1-CB 4Å; Y478-G597 WeakPolarHBondContact OH-CA 3.36Å; Y478-F598 HydrophobicContact CD1-CD2 4.45Å; Y478-F598 HydrophobicContact CE1-CB 4.49Å; Y478-F598 AromaticContact CE1-CD2 3.97Å; Y478-F598 HydrophobicContact CE1-CD2 3.97Å; Y478-F598 PolarHBondContact OH-N 2.75Å |
| 479 | K | 95.1 | Very high | 89.8 | Confident | 93 Ų | 93 | 31.9 Ų | 31.9 | 40% | 0.404 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 116.5 | 175.2 | -177.3 | 179.6 | 179.3 | 179.4 | 0 | 110.4 | Q427 R465 | Q427-K479 PolarHBondContact NE2-O 2.84Å; Q427-K479 PolarHBondContact OE1-O 3.27Å; R465-K479 HydrophobicContact CG-CG 4.47Å |
| 480 | L | 95.8 | Very high | 87.9 | Confident | 9 Ų | 9 | 35.9 Ų | 35.9 | 5% | 0.047 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 139.3 | 164.5 | 176.3 | 62 | 0 | 0 | 0 | 109.4 | T463 V464 F466 Y478 L540 V542 L552 F598 | T463-L480 CarbonylContact C-O 3.48Å; T463-L480 WeakPolarHBondContact CA-O 3.2Å; T463-L480 WeakPolarHBondContact CB-O 3.22Å; V464-L480 HydrophobicContact CB-CB 4.25Å; V464-L480 HydrophobicContact CB-CD2 4.48Å; V464-L480 PolarHBondContact N-O 2.9Å; V464-L480 PolarHBondContact O-N 2.81Å; F466-L480 HydrophobicContact CE2-CB 4.5Å; Y478-L480 HydrophobicContact CE1-CB 4Å; L480-L540 HydrophobicContact CD2-CD2 3.62Å; L480-V542 HydrophobicContact CD2-CG1 4.41Å; L480-L552 HydrophobicContact CD1-CD2 3.78Å; L480-L552 HydrophobicContact CD2-CD1 4.32Å; L480-L552 HydrophobicContact CD2-CD2 3.76Å; L480-L552 HydrophobicContact CG-CD2 4.41Å; L480-F598 HydrophobicContact CD1-CB 4.27Å; L480-F598 WeakPolarHBondContact CD1-O 3.44Å; L480-F598 HydrophobicContact CD2-CB 4.41Å |
| 481 | G | 94.2 | Very high | 86 | Confident | 35 Ų | 35 | 38.5 Ų | 38.5 | 36% | 0.361 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 127.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 482 | T | 93.9 | Very high | 83.8 | Confident | 4 Ų | 4 | 45.5 Ų | 45.5 | 3% | 0.025 | 25% | 0.254 | C | S | . | . | trans | -91.2 | -15.9 | -179.7 | 66.3 | 0 | 0 | 0 | 0 | 113.7 | G462 N484 V485 I528 V542 I550 | G462-T482 PolarHBondContact O-N 3.01Å; G462-T482 PolarHBondContact O-OG1 2.56Å; T482-N484 PolarHBondContact O-N 2.88Å; T482-N484 VanDerWaalsContact O-N 3.17Å; T482-V485 WeakPolarHBondContact O-CB 3.24Å; T482-V485 PolarHBondContact O-N 3.01Å; T482-V485 VanDerWaalsContact O-N 3.1Å; T482-I528 HydrophobicContact CG2-CD1 4.26Å; T482-V542 HydrophobicContact CG2-CG2 3.87Å; T482-I550 HydrophobicContact CG2-CD1 4.03Å | ||
| 483 | A | 90.8 | Very high | 81.4 | Confident | 26 Ų | 26 | 50.3 Ų | 50.3 | 22% | 0.215 | 29% | 0.285 | C | S | . | . | G | 310 helix | trans | -54.1 | -35.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V485 F486 L526 | A483-V485 PolarHBondContact O-N 3.1Å; A483-F486 PolarHBondContact O-N 3.17Å; A483-F486 VanDerWaalsContact O-O 3.07Å; A483-L526 HydrophobicContact CB-CD1 4.15Å; A483-L526 HydrophobicContact CB-CD2 4.28Å |
| 484 | N | 88.1 | Confident | 79 | Confident | 82 Ų | 82 | 55.1 Ų | 55.1 | 44% | 0.439 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -59.5 | -15.3 | 179.7 | -60.2 | 23.6 | 0 | 0 | 0 | 114.6 | T482 | T482-N484 PolarHBondContact O-N 2.88Å; T482-N484 VanDerWaalsContact O-N 3.17Å |
| 485 | V | 90.8 | Very high | 76.2 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 5% | 0.048 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -81.2 | -17.5 | 175.2 | -176.5 | 0 | 0 | 0 | 0 | 111.7 | T482 A483 V563 A587 R588 F594 P600 L603 | T482-V485 WeakPolarHBondContact O-CB 3.24Å; T482-V485 PolarHBondContact O-N 3.01Å; T482-V485 VanDerWaalsContact O-N 3.1Å; A483-V485 PolarHBondContact O-N 3.1Å; V485-V563 HydrophobicContact CG1-CG2 4.35Å; V485-A587 CarbonylContact O-C 3.5Å; V485-A587 WeakPolarHBondContact O-CA 3.44Å; V485-R588 PolarHBondContact O-N 3.46Å; V485-F594 HydrophobicContact CG2-CE1 4.23Å; V485-F594 HydrophobicContact CG2-CZ 4.43Å; V485-P600 HydrophobicContact CG2-CB 4.26Å; V485-P600 HydrophobicContact CG2-CG 3.84Å; V485-L603 HydrophobicContact CG1-CD2 4.39Å |
| 486 | F | 92 | Very high | 73.8 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 152.8 | -172.2 | -53.7 | -75 | 0 | 0 | 0 | 112.3 | A483 L526 Q548 I550 L585 E586 R588 L603 | A483-F486 PolarHBondContact O-N 3.17Å; A483-F486 VanDerWaalsContact O-O 3.07Å; F486-L526 HydrophobicContact CD2-CD2 3.95Å; F486-Q548 HydrophobicContact CE1-CB 4.49Å; F486-Q548 HydrophobicContact CE2-CG 4.42Å; F486-Q548 HydrophobicContact CZ-CB 4.09Å; F486-Q548 HydrophobicContact CZ-CG 3.85Å; F486-I550 HydrophobicContact CE2-CD1 3.98Å; F486-I550 HydrophobicContact CZ-CD1 4Å; F486-L585 HydrophobicContact CB-CB 4.31Å; F486-L585 HydrophobicContact CD1-CB 3.43Å; F486-L585 VanDerWaalsContact CD1-CB 3.43Å; F486-L585 HydrophobicContact CD1-CD1 4.26Å; F486-L585 HydrophobicContact CD1-CG 4.42Å; F486-L585 HydrophobicContact CD2-CD1 4.11Å; F486-L585 HydrophobicContact CE1-CB 3.83Å; F486-L585 HydrophobicContact CE1-CD1 4.35Å; F486-L585 HydrophobicContact CE2-CD1 4.22Å; F486-L585 HydrophobicContact CG-CB 3.89Å; F486-L585 HydrophobicContact CG-CD1 4.13Å; F486-L585 HydrophobicContact CG-CG 4.48Å; F486-L585 HydrophobicContact CZ-CD1 4.34Å; F486-E586 CarbonylContact C-O 3.59Å; F486-E586 VanDerWaalsContact CA-O 3.23Å; F486-E586 WeakPolarHBondContact CA-O 3.43Å; F486-R588 VanDerWaalsContact O-CZ 3.31Å; F486-R588 PolarHBondContact O-NE 2.68Å; F486-R588 PolarHBondContact O-NH2 3.38Å; F486-L603 HydrophobicContact CE1-CD1 4.29Å; F486-L603 HydrophobicContact CE1-CD2 3.69Å; F486-L603 HydrophobicContact CZ-CD1 4.17Å; F486-L603 HydrophobicContact CZ-CD2 4.22Å |
| 487 | H | 85.9 | Confident | 71.3 | Confident | 92 Ų | 92 | 66.4 Ų | 66.4 | 43% | 0.426 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 131.1 | 157.1 | -68.2 | -78.2 | 0 | 0 | 0 | 108.2 | D491 E586 | H487-D491 WeakPolarHBondContact CA-OD2 3.17Å; H487-E586 PolarHBondContact N-O 3.03Å |
| 488 | T | 73.9 | Confident | 68.7 | Low | 28 Ų | 28 | 71 Ų | 71 | 17% | 0.172 | 41% | 0.411 | C | S | . | . | trans | -115.9 | 158.8 | 175.5 | 64.9 | 0 | 0 | 0 | 0 | 109.9 | C490 D491 L526 | T488-C490 PolarHBondContact O-N 3.32Å; T488-D491 PolarHBondContact N-OD2 2.98Å; T488-D491 PolarHBondContact O-N 2.84Å; T488-L526 HydrophobicContact CG2-CD1 4.23Å | ||
| 489 | D | 61.2 | Low | 65.8 | Low | 121 Ų | 121 | 74.9 Ų | 74.9 | 65% | 0.647 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -2.1 | -178.6 | -53.8 | -2.3 | 0 | 0 | 0 | 112.8 | R525 | D489-R525 IonicContact OD1-NH2 3.73Å; D489-R525 PolarHBondContact OD1-NH2 3.27Å; D489-R525 IonicContact OD2-NH2 2.65Å; D489-R525 PolarHBondContact OD2-NH2 3.33Å |
| 490 | C | 53.9 | Low | 63.4 | Low | 84 Ų | 84 | 75 Ų | 75 | 57% | 0.568 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -7.5 | 172.5 | -56.1 | 0 | 0 | 0 | 0 | 113.7 | T488 E492 | T488-C490 PolarHBondContact O-N 3.32Å; C490-E492 PolarHBondContact O-N 2.88Å; C490-E492 VanDerWaalsContact O-N 3.09Å |
| 491 | D | 51.8 | Low | 60.6 | Low | 68 Ų | 68 | 81.1 Ų | 81.1 | 36% | 0.364 | 48% | 0.476 | S | S | . | . | trans | -78.5 | 38.9 | 172.6 | -65.3 | -69.4 | 0 | 0 | 0 | 111.8 | H487 T488 R588 | H487-D491 WeakPolarHBondContact CA-OD2 3.17Å; T488-D491 PolarHBondContact N-OD2 2.98Å; T488-D491 PolarHBondContact O-N 2.84Å; D491-R588 IonicContact OD1-CZ 2.69Å; D491-R588 IonicContact OD1-NH1 2.7Å; D491-R588 PolarHBondContact OD1-NH1 3.36Å; D491-R588 VanDerWaalsContact OD1-NH1 3.1Å; D491-R588 IonicContact OD1-NH2 3.78Å; D491-R588 PolarHBondContact OD1-NH2 2.96Å; D491-R588 IonicContact OD2-CZ 3.53Å; D491-R588 IonicContact OD2-NH1 3.33Å; D491-R588 IonicContact OD2-NH2 2.81Å; D491-R588 PolarHBondContact OD2-NH2 3.42Å | ||
| 492 | E | 43.2 | Very low | 57.9 | Low | 168 Ų | 168 | 85.7 Ų | 85.7 | 79% | 0.785 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -61.4 | 134.9 | 169.8 | -76.9 | -161.7 | 147 | 0 | 0 | 109.2 | C490 | C490-E492 PolarHBondContact O-N 2.88Å; C490-E492 VanDerWaalsContact O-N 3.09Å |
| 493 | P | 40.4 | Very low | 55.4 | Low | 112 Ų | 112 | 92.8 Ų | 92.8 | 73% | 0.727 | 52% | 0.522 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 140 | 178.9 | 27.4 | -34 | 0 | 0 | 0 | 109.3 | D495 | P493-D495 PolarHBondContact O-N 3.24Å; P493-D495 VanDerWaalsContact O-N 3.09Å |
| 494 | P | 40.5 | Very low | 52.8 | Low | 118 Ų | 118 | 99.6 Ų | 99.6 | 77% | 0.766 | 55% | 0.549 | S | S | * | . | P | Polyproline II helix | trans | -57.9 | 120.6 | 178.5 | 24.1 | -33.4 | 0 | 0 | 0 | 109.5 | P496 | P494-P496 WeakPolarHBondContact O-CD 3.31Š|
| 495 | D | 34.9 | Very low | 50.6 | Low | 106 Ų | 106 | 103.2 Ų | 103.2 | 57% | 0.567 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 121.1 | -178.2 | -165.2 | 1.8 | 0 | 0 | 0 | 108.8 | P493 S497 N498 | P493-D495 PolarHBondContact O-N 3.24Å; P493-D495 VanDerWaalsContact O-N 3.09Å; D495-S497 PolarHBondContact O-N 3.29Å; D495-S497 PolarHBondContact OD2-OG 3.32Å; D495-N498 PolarHBondContact O-N 3.49Å |
| 496 | P | 41.6 | Very low | 49 | Very low | 129 Ų | 129 | 111.9 Ų | 111.9 | 84% | 0.838 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.5 | 7.1 | -171.9 | 25.9 | -36.2 | 0 | 0 | 0 | 114.9 | P494 | P494-P496 WeakPolarHBondContact O-CD 3.31Š|
| 497 | S | 40.7 | Very low | 48.1 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 57% | 0.573 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -18.9 | 163.2 | 55.2 | 0 | 0 | 0 | 0 | 114.1 | D495 D499 | D495-S497 PolarHBondContact O-N 3.29Å; D495-S497 PolarHBondContact OD2-OG 3.32Å; S497-D499 VanDerWaalsContact C-N 3.29Å; S497-D499 PolarHBondContact O-N 2.75Å |
| 498 | N | 38.7 | Very low | 48 | Very low | 114 Ų | 114 | 119.7 Ų | 119.7 | 61% | 0.61 | 64% | 0.635 | S | S | * | * | trans | -79.7 | 78.7 | 172.8 | -83.1 | -15.6 | 0 | 0 | 0 | 110 | D495 | D495-N498 PolarHBondContact O-N 3.49Š| ||
| 499 | D | 35.3 | Very low | 48.7 | Very low | 93 Ų | 93 | 118.4 Ų | 118.4 | 50% | 0.497 | 63% | 0.627 | S | S | . | * | trans | -61.9 | 122.8 | 168.2 | -162.3 | -29.6 | 0 | 0 | 0 | 109.3 | S497 D501 M502 | S497-D499 VanDerWaalsContact C-N 3.29Å; S497-D499 PolarHBondContact O-N 2.75Å; D499-D501 PolarHBondContact O-N 3.24Å; D499-D501 VanDerWaalsContact O-N 3.16Å; D499-D501 PolarHBondContact OD1-N 3.27Å; D499-M502 HydrophobicContact CB-CG 4.37Å; D499-M502 PolarHBondContact O-N 2.83Å | ||
| 500 | P | 43.3 | Very low | 50.2 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 63% | 0.63 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -60.2 | -25.1 | -177.4 | 23 | -34.4 | 0 | 0 | 0 | 113.6 | M502 Q503 | P500-M502 PolarHBondContact O-N 3.3Å; P500-Q503 PolarHBondContact O-N 2.93Å |
| 501 | D | 37.7 | Very low | 52 | Low | 137 Ų | 137 | 112 Ų | 112 | 73% | 0.733 | 59% | 0.587 | S | S | * | * | G | 310 helix | trans | -73.5 | -11.3 | 175.6 | -80.5 | -10 | 0 | 0 | 0 | 113.1 | D499 | D499-D501 PolarHBondContact O-N 3.24Å; D499-D501 VanDerWaalsContact O-N 3.16Å; D499-D501 PolarHBondContact OD1-N 3.27Å |
| 502 | M | 37.4 | Very low | 53.9 | Low | 131 Ų | 131 | 112 Ų | 112 | 65% | 0.645 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -86.4 | -5 | 170.5 | -69.2 | -151.8 | 73.7 | 0 | 0 | 114.1 | D499 P500 Q504 | D499-M502 HydrophobicContact CB-CG 4.37Å; D499-M502 PolarHBondContact O-N 2.83Å; P500-M502 PolarHBondContact O-N 3.3Å; M502-Q504 PolarHBondContact O-N 3.14Å; M502-Q504 VanDerWaalsContact O-N 3.13Å |
| 503 | Q | 40.2 | Very low | 56.2 | Low | 153 Ų | 153 | 110.5 Ų | 110.5 | 72% | 0.715 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 20.9 | 173.4 | -62.2 | -170.5 | -15.8 | 0 | 0 | 113.4 | P500 | P500-Q503 PolarHBondContact O-N 2.93Š|
| 504 | Q | 36.8 | Very low | 58.6 | Low | 168 Ų | 168 | 105.7 Ų | 105.7 | 79% | 0.785 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.1 | 19.4 | 174.3 | -71.9 | -173.2 | 33.4 | 0 | 0 | 113.8 | M502 E506 | M502-Q504 PolarHBondContact O-N 3.14Å; M502-Q504 VanDerWaalsContact O-N 3.13Å; Q504-E506 PolarHBondContact O-N 3.43Å |
| 505 | E | 43.3 | Very low | 60.9 | Low | 158 Ų | 158 | 101.9 Ų | 101.9 | 74% | 0.738 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -67.6 | 123.9 | 146.5 | -69 | -164.9 | 159.3 | 0 | 0 | 107.5 | E507 | E505-E507 PolarHBondContact O-N 3.24Š|
| 506 | E | 55.9 | Low | 63.4 | Low | 190 Ų | 190 | 100.4 Ų | 100.4 | 89% | 0.888 | 52% | 0.521 | S | S | * | . | trans | -63.4 | 103 | 177.8 | -68.2 | -178.5 | 129.5 | 0 | 0 | 109.2 | Q504 W508 | Q504-E506 PolarHBondContact O-N 3.43Å; E506-W508 PolarHBondContact O-N 2.84Å | ||
| 507 | E | 74.3 | Confident | 65.8 | Low | 123 Ų | 123 | 95 Ų | 95 | 58% | 0.575 | 48% | 0.484 | S | S | * | . | trans | -58 | 114.9 | 178.1 | -171.5 | -180 | 180 | 0 | 0 | 108.9 | E505 P509 P510 | E505-E507 PolarHBondContact O-N 3.24Å; E507-P509 CarbonylContact C-O 3.46Å; E507-P509 CarbonylContact O-C 3.47Å; E507-P509 VanDerWaalsContact O-O 3.06Å; E507-P510 WeakPolarHBondContact O-CA 3.22Å | ||
| 508 | W | 82.8 | Confident | 67.9 | Low | 133 Ų | 133 | 93.9 Ų | 93.9 | 50% | 0.504 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -121 | 118.8 | -176.6 | -174 | -95.6 | 0 | 0 | 0 | 110.5 | P290 Y291 H339 E506 P510 | P290-W508 WeakPolarHBondContact O-CZ2 3.21Å; Y291-W508 AromaticContact CD1-CZ2 3.9Å; Y291-W508 HydrophobicContact CD1-CZ2 3.9Å; Y291-W508 HydrophobicContact CE1-CZ2 4.13Å; H339-W508 AromaticContact CE1-CH2 3.65Å; H339-W508 AromaticContact ND1-CH2 3.75Å; E506-W508 PolarHBondContact O-N 2.84Å; W508-P510 HydrophobicContact CE3-CG 4.29Å; W508-P510 HydrophobicContact CZ3-CG 4.09Å |
| 509 | P | 89.6 | Confident | 69.8 | Low | 1 Ų | 1 | 89.9 Ų | 89.9 | 1% | 0.006 | 45% | 0.452 | C | S | . | . | S | Bend | cis | -62.4 | 148.8 | 2.8 | -24.5 | 35 | 0 | 0 | 0 | 115.4 | Y291 M320 Y325 T341 E507 F511 | Y291-P509 HydrophobicContact CD1-CB 3.85Å; Y291-P509 HydrophobicContact CD1-CG 3.63Å; Y291-P509 HydrophobicContact CE1-CB 3.58Å; Y291-P509 HydrophobicContact CE1-CG 3.89Å; Y291-P509 HydrophobicContact CG-CG 4.2Å; M320-P509 HydrophobicContact SD-CG 4.27Å; Y325-P509 HydrophobicContact CD2-CG 4.33Å; Y325-P509 HydrophobicContact CE2-CG 4.43Å; T341-P509 HydrophobicContact CG2-CB 4.35Å; E507-P509 CarbonylContact C-O 3.46Å; E507-P509 CarbonylContact O-C 3.47Å; E507-P509 VanDerWaalsContact O-O 3.06Å; P509-F511 VanDerWaalsContact C-N 3.34Å; P509-F511 HydrophobicContact CB-CD2 4.37Å; P509-F511 HydrophobicContact CB-CE1 4.13Å; P509-F511 HydrophobicContact CB-CE2 3.87Å; P509-F511 HydrophobicContact CB-CZ 3.73Å; P509-F511 HydrophobicContact CG-CE2 4.02Å; P509-F511 HydrophobicContact CG-CZ 3.78Å; P509-F511 WeakPolarHBondContact O-CD2 3.38Å; P509-F511 PolarHBondContact O-N 3.42Å |
| 510 | P | 91.4 | Very high | 71.8 | Confident | 33 Ų | 33 | 93.9 Ų | 93.9 | 21% | 0.214 | 46% | 0.461 | C | S | . | . | trans | -75.1 | 84.5 | -178.3 | 30.2 | -34.8 | 0 | 0 | 0 | 110.5 | H339 T341 E507 W508 | H339-P510 HydrophobicContact CB-CG 4.46Å; H339-P510 WeakPolarHBondContact O-CG 3.28Å; T341-P510 WeakPolarHBondContact CA-O 3.37Å; T341-P510 VanDerWaalsContact CB-O 3.26Å; T341-P510 WeakPolarHBondContact CB-O 3.42Å; T341-P510 PolarHBondContact N-O 2.81Å; T341-P510 WeakPolarHBondContact OG1-CD 3.28Å; T341-P510 PolarHBondContact OG1-O 3.33Å; E507-P510 WeakPolarHBondContact O-CA 3.22Å; W508-P510 HydrophobicContact CE3-CG 4.29Å; W508-P510 HydrophobicContact CZ3-CG 4.09Å | ||
| 511 | F | 91.9 | Very high | 73 | Confident | 38 Ų | 38 | 91.3 Ų | 91.3 | 17% | 0.167 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 137 | -173.9 | -70.5 | -66.2 | 0 | 0 | 0 | 113.2 | M320 Y325 T341 D343 P509 | M320-F511 HydrophobicContact SD-CE1 3.79Å; M320-F511 HydrophobicContact SD-CZ 3.91Å; Y325-F511 AromaticContact CD1-CE2 3.6Å; Y325-F511 HydrophobicContact CD1-CE2 3.6Å; Y325-F511 AromaticContact CD1-CZ 3.6Å; Y325-F511 HydrophobicContact CD1-CZ 3.6Å; Y325-F511 HydrophobicContact CD2-CE2 4.35Å; Y325-F511 HydrophobicContact CD2-CZ 4.2Å; Y325-F511 HydrophobicContact CE1-CD2 4.45Å; Y325-F511 AromaticContact CE1-CE2 3.46Å; Y325-F511 HydrophobicContact CE1-CE2 3.46Å; Y325-F511 VanDerWaalsContact CE1-CE2 3.46Å; Y325-F511 AromaticContact CE1-CZ 3.98Å; Y325-F511 HydrophobicContact CE1-CZ 3.98Å; Y325-F511 HydrophobicContact CE2-CE2 4.24Å; Y325-F511 HydrophobicContact CG-CE2 4.05Å; Y325-F511 AromaticContact CG-CZ 3.71Å; Y325-F511 HydrophobicContact CG-CZ 3.71Å; Y325-F511 AromaticContact CZ-CE2 3.81Å; T341-F511 HydrophobicContact CG2-CD1 3.73Å; T341-F511 HydrophobicContact CG2-CE1 3.66Å; T341-F511 CarbonylContact O-C 3.25Å; T341-F511 WeakPolarHBondContact O-CA 3.36Å; D343-F511 HydrophobicContact CB-CD1 4.17Å; P509-F511 VanDerWaalsContact C-N 3.34Å; P509-F511 HydrophobicContact CB-CD2 4.37Å; P509-F511 HydrophobicContact CB-CE1 4.13Å; P509-F511 HydrophobicContact CB-CE2 3.87Å; P509-F511 HydrophobicContact CB-CZ 3.73Å; P509-F511 HydrophobicContact CG-CE2 4.02Å; P509-F511 HydrophobicContact CG-CZ 3.78Å; P509-F511 WeakPolarHBondContact O-CD2 3.38Å; P509-F511 PolarHBondContact O-N 3.42Å |
| 512 | R | 92.6 | Very high | 74.8 | Confident | 67 Ų | 67 | 90.5 Ų | 90.5 | 25% | 0.253 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 106.7 | 169.8 | -171.7 | 177.1 | 76 | 156.4 | 4.6 | 109.2 | V340 T341 L342 D343 G386 W387 V514 | V340-R512 HydrophobicContact CG1-CB 3.73Å; T341-R512 PolarHBondContact O-N 2.93Å; L342-R512 WeakPolarHBondContact CA-O 3.24Å; L342-R512 VanDerWaalsContact CD2-NH2 3.29Å; D343-R512 PolarHBondContact N-O 3.4Å; G386-R512 PolarHBondContact O-NH1 3.13Å; W387-R512 PolarHBondContact O-NH1 2.7Å; W387-R512 PolarHBondContact O-NH2 2.69Å; R512-V514 HydrophobicContact CG-CG2 4.18Å; R512-V514 PolarHBondContact O-N 2.94Å |
| 513 | K | 90.9 | Very high | 77.2 | Confident | 138 Ų | 138 | 84.7 Ų | 84.7 | 60% | 0.6 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 126.2 | 175.6 | -170.6 | 178.5 | -180 | -175.8 | 0 | 109.9 | D343 T345 | D343-K513 WeakPolarHBondContact O-CA 3.49Å; T345-K513 VanDerWaalsContact CG2-CE 3.48Å |
| 514 | V | 90.9 | Very high | 79.4 | Confident | 10 Ų | 10 | 78.8 Ų | 78.8 | 6% | 0.061 | 39% | 0.388 | C | S | . | . | trans | -134.1 | 155.6 | -179.5 | 177.3 | 0 | 0 | 0 | 0 | 110 | L342 D343 F344 V378 I380 T389 R512 | L342-V514 HydrophobicContact CD2-CG2 4.03Å; D343-V514 PolarHBondContact O-N 3.23Å; F344-V514 HydrophobicContact CD1-CB 4.29Å; F344-V514 WeakPolarHBondContact CD1-O 3.32Å; F344-V514 HydrophobicContact CE1-CB 3.88Å; F344-V514 HydrophobicContact CE1-CG1 3.93Å; V378-V514 HydrophobicContact CG1-CG1 3.65Å; I380-V514 HydrophobicContact CD1-CG1 4.37Å; T389-V514 HydrophobicContact CG2-CG1 3.59Å; R512-V514 HydrophobicContact CG-CG2 4.18Å; R512-V514 PolarHBondContact O-N 2.94Å | ||
| 515 | G | 88.8 | Confident | 82 | Confident | 39 Ų | 39 | 72.5 Ų | 72.5 | 40% | 0.402 | 36% | 0.357 | S | S | . | . | trans | 101.8 | 177.2 | -170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E376 | E376-G515 WeakPolarHBondContact OE1-CA 3.33Š| ||
| 516 | C | 88.2 | Confident | 84.4 | Confident | 75 Ų | 75 | 65.5 Ų | 65.5 | 51% | 0.507 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -133.5 | -2.3 | 176.5 | 72.8 | 0 | 0 | 0 | 0 | 113.8 | E376 P397 S400 D518 | E376-C516 VanDerWaalsContact CD-N 3.27Å; E376-C516 PolarHBondContact OE1-N 3.35Å; E376-C516 PolarHBondContact OE2-N 3.4Å; E376-C516 PolarHBondContact OE2-SG 2.93Å; P397-C516 WeakPolarHBondContact CG-SG 3.24Å; S400-C516 VanDerWaalsContact CB-O 3.3Å; S400-C516 WeakPolarHBondContact CB-O 3.32Å; C516-D518 PolarHBondContact O-N 2.8Å |
| 517 | F | 90.7 | Very high | 86.3 | Confident | 15 Ų | 15 | 56.4 Ų | 56.4 | 7% | 0.066 | 28% | 0.282 | C | S | . | . | trans | -70.2 | 124.1 | 172.7 | 174.5 | -105.6 | 0 | 0 | 0 | 111.2 | T345 E375 E376 H399 P519 | T345-F517 WeakPolarHBondContact CB-O 3.48Å; T345-F517 WeakPolarHBondContact CG2-O 3.3Å; T345-F517 PolarHBondContact OG1-O 3.18Å; E375-F517 HydrophobicContact CB-CB 4.45Å; E375-F517 HydrophobicContact CB-CD1 3.69Å; E375-F517 HydrophobicContact CB-CD2 3.84Å; E375-F517 HydrophobicContact CB-CE1 3.77Å; E375-F517 HydrophobicContact CB-CE2 3.93Å; E375-F517 HydrophobicContact CB-CG 3.72Å; E375-F517 HydrophobicContact CB-CZ 3.88Å; E375-F517 HydrophobicContact CG-CD1 4.05Å; E375-F517 HydrophobicContact CG-CD2 4.48Å; E375-F517 HydrophobicContact CG-CE1 3.59Å; E375-F517 HydrophobicContact CG-CE2 4.08Å; E375-F517 HydrophobicContact CG-CG 4.47Å; E375-F517 HydrophobicContact CG-CZ 3.61Å; E376-F517 HydrophobicContact CG-CB 4.32Å; E376-F517 VanDerWaalsContact OE1-CB 3.3Å; E376-F517 WeakPolarHBondContact OE1-CB 3.45Å; E376-F517 PolarHBondContact OE1-N 3.3Å; E376-F517 PolarHBondContact OE2-N 2.9Å; H399-F517 AromaticContact CD2-CE2 3.65Å; H399-F517 AromaticContact NE2-CE2 3.87Å; F517-P519 HydrophobicContact CE1-CB 3.75Å; F517-P519 HydrophobicContact CE1-CG 4.26Å; F517-P519 HydrophobicContact CZ-CB 4.16Å | ||
| 518 | D | 85.8 | Confident | 87.4 | Confident | 59 Ų | 59 | 50.7 Ų | 50.7 | 32% | 0.316 | 26% | 0.256 | S | S | . | . | trans | -107.9 | 115 | 169.6 | -151.4 | -42.9 | 0 | 0 | 0 | 111.5 | S400 C516 Y520 | S400-D518 PolarHBondContact O-N 3.34Å; C516-D518 PolarHBondContact O-N 2.8Å; D518-Y520 PolarHBondContact O-N 2.99Å; D518-Y520 WeakPolarHBondContact OD1-CA 3.38Å; D518-Y520 VanDerWaalsContact OD1-CB 3.3Å; D518-Y520 WeakPolarHBondContact OD1-CB 3.23Å; D518-Y520 VanDerWaalsContact OD1-CD2 3.32Å; D518-Y520 WeakPolarHBondContact OD1-CD2 3.33Å; D518-Y520 PolarHBondContact OD1-N 3.12Å | ||
| 519 | P | 78.1 | Confident | 88 | Confident | 30 Ų | 30 | 45.8 Ų | 45.8 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -75.1 | -5.4 | 175 | 29.6 | -33.7 | 0 | 0 | 0 | 113.5 | F517 K668 | F517-P519 HydrophobicContact CE1-CB 3.75Å; F517-P519 HydrophobicContact CE1-CG 4.26Å; F517-P519 HydrophobicContact CZ-CB 4.16Å; P519-K668 PolarHBondContact O-NZ 2.96Å |
| 520 | Y | 76.7 | Confident | 88.4 | Confident | 176 Ų | 176 | 49.2 Ų | 49.2 | 69% | 0.69 | 25% | 0.253 | S | S | * | . | trans | -105.1 | 171.9 | -178.6 | -52.9 | -67.7 | 0 | 0 | 0 | 112.5 | D518 | D518-Y520 PolarHBondContact O-N 2.99Å; D518-Y520 WeakPolarHBondContact OD1-CA 3.38Å; D518-Y520 VanDerWaalsContact OD1-CB 3.3Å; D518-Y520 WeakPolarHBondContact OD1-CB 3.23Å; D518-Y520 VanDerWaalsContact OD1-CD2 3.32Å; D518-Y520 WeakPolarHBondContact OD1-CD2 3.33Å; D518-Y520 PolarHBondContact OD1-N 3.12Å | ||
| 521 | S | 69.3 | Low | 88.7 | Confident | 44 Ų | 44 | 48.5 Ų | 48.5 | 31% | 0.308 | 25% | 0.247 | S | C | . | . | trans | -146 | 106.6 | 173 | 165.2 | 0 | 0 | 0 | 0 | 105.8 | E460 | E460-S521 VanDerWaalsContact CD-OG 3.32Å; E460-S521 WeakPolarHBondContact CG-OG 3.12Å; E460-S521 PolarHBondContact OE1-OG 2.79Å | ||
| 522 | D | 74.9 | Confident | 88.9 | Confident | 119 Ų | 119 | 48.3 Ų | 48.3 | 64% | 0.636 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -65.7 | -53.8 | -174.3 | -59.7 | -22.1 | 0 | 0 | 0 | 110.5 | ||
| 523 | D | 87.5 | Confident | 89.1 | Confident | 9 Ų | 9 | 45.9 Ų | 45.9 | 5% | 0.048 | 24% | 0.242 | C | C | . | . | trans | -140 | 109.5 | -179.9 | -174.2 | -1.9 | 0 | 0 | 0 | 112.7 | R525 L526 L585 | D523-R525 VanDerWaalsContact CG-NE 3.3Å; D523-R525 PolarHBondContact O-N 2.75Å; D523-R525 WeakPolarHBondContact OD1-CB 3.49Å; D523-R525 VanDerWaalsContact OD1-CG 3.22Å; D523-R525 WeakPolarHBondContact OD1-CG 3.33Å; D523-R525 IonicContact OD1-CZ 3.11Å; D523-R525 PolarHBondContact OD1-N 2.97Å; D523-R525 IonicContact OD1-NE 2.82Å; D523-R525 PolarHBondContact OD1-NE 2.83Å; D523-R525 VanDerWaalsContact OD1-NE 3.1Å; D523-R525 IonicContact OD1-NH2 2.75Å; D523-R525 IonicContact OD2-CZ 2.78Å; D523-R525 IonicContact OD2-NE 2.77Å; D523-R525 PolarHBondContact OD2-NE 3.37Å; D523-R525 IonicContact OD2-NH2 3.46Å; D523-R525 PolarHBondContact OD2-NH2 3.33Å; D523-L526 HydrophobicContact CB-CD1 4.18Å; D523-L526 HydrophobicContact CB-CG 4.4Å; D523-L526 WeakPolarHBondContact O-CB 3.01Å; D523-L526 PolarHBondContact O-N 3.1Å; D523-L585 WeakPolarHBondContact OD2-CD2 3.34Å | ||
| 524 | P | 86.8 | Confident | 89.3 | Confident | 30 Ų | 30 | 39.9 Ų | 39.9 | 20% | 0.195 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -68.7 | -12.2 | 179 | 30.6 | -36.5 | 0 | 0 | 0 | 113.9 | L526 G527 T545 | P524-L526 PolarHBondContact O-N 3.28Å; P524-G527 PolarHBondContact O-N 2.83Å; P524-T545 VanDerWaalsContact O-CB 3.29Å; P524-T545 WeakPolarHBondContact O-CB 3.27Å; P524-T545 PolarHBondContact O-OG1 3.05Å; P524-T545 VanDerWaalsContact O-OG1 3.11Å |
| 525 | R | 91.5 | Very high | 89.4 | Confident | 36 Ų | 36 | 40.2 Ų | 40.2 | 14% | 0.136 | 22% | 0.218 | C | C | . | . | G | 310 helix | trans | -59.2 | -33.9 | 172.4 | -68 | 179.4 | -69.1 | -166.3 | -3 | 111.3 | D489 D523 G527 T545 A546 Q548 H582 D583 L585 | D489-R525 IonicContact OD1-NH2 3.73Å; D489-R525 PolarHBondContact OD1-NH2 3.27Å; D489-R525 IonicContact OD2-NH2 2.65Å; D489-R525 PolarHBondContact OD2-NH2 3.33Å; D523-R525 VanDerWaalsContact CG-NE 3.3Å; D523-R525 PolarHBondContact O-N 2.75Å; D523-R525 WeakPolarHBondContact OD1-CB 3.49Å; D523-R525 VanDerWaalsContact OD1-CG 3.22Å; D523-R525 WeakPolarHBondContact OD1-CG 3.33Å; D523-R525 IonicContact OD1-CZ 3.11Å; D523-R525 PolarHBondContact OD1-N 2.97Å; D523-R525 IonicContact OD1-NE 2.82Å; D523-R525 PolarHBondContact OD1-NE 2.83Å; D523-R525 VanDerWaalsContact OD1-NE 3.1Å; D523-R525 IonicContact OD1-NH2 2.75Å; D523-R525 IonicContact OD2-CZ 2.78Å; D523-R525 IonicContact OD2-NE 2.77Å; D523-R525 PolarHBondContact OD2-NE 3.37Å; D523-R525 IonicContact OD2-NH2 3.46Å; D523-R525 PolarHBondContact OD2-NH2 3.33Å; R525-G527 VanDerWaalsContact C-N 3.29Å; R525-G527 PolarHBondContact O-N 3.39Å; R525-T545 PolarHBondContact O-N 2.79Å; R525-A546 HydrophobicContact CB-CB 3.77Å; R525-A546 HydrophobicContact CG-CB 4.02Å; R525-A546 PolarHBondContact O-N 3.22Å; R525-Q548 PolarHBondContact O-NE2 3.07Å; R525-H582 HydrophobicContact CG-CB 3.97Å; R525-D583 WeakPolarHBondContact CD-O 3.44Å; R525-L585 HydrophobicContact CB-CD1 4.08Å; R525-L585 HydrophobicContact CB-CD2 3.89Å; R525-L585 HydrophobicContact CB-CG 3.89Å |
| 526 | L | 93.4 | Very high | 89.6 | Confident | 10 Ų | 10 | 41.5 Ų | 41.5 | 5% | 0.052 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -66.9 | -26.5 | -179.7 | -69.2 | 170.1 | 0 | 0 | 0 | 113.4 | G462 A483 F486 T488 D523 P524 I528 L585 | G462-L526 VanDerWaalsContact CA-O 3.26Å; G462-L526 WeakPolarHBondContact CA-O 3.36Å; A483-L526 HydrophobicContact CB-CD1 4.15Å; A483-L526 HydrophobicContact CB-CD2 4.28Å; F486-L526 HydrophobicContact CD2-CD2 3.95Å; T488-L526 HydrophobicContact CG2-CD1 4.23Å; D523-L526 HydrophobicContact CB-CD1 4.18Å; D523-L526 HydrophobicContact CB-CG 4.4Å; D523-L526 WeakPolarHBondContact O-CB 3.01Å; D523-L526 PolarHBondContact O-N 3.1Å; P524-L526 PolarHBondContact O-N 3.28Å; L526-I528 PolarHBondContact O-N 2.82Å; L526-L585 HydrophobicContact CD2-CD1 3.79Å; L526-L585 HydrophobicContact CD2-CD2 4.46Å; L526-L585 HydrophobicContact CG-CD1 4.38Å |
| 527 | G | 95.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -53.5 | 129.9 | -167.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | H459 E460 P524 R525 Q529 G544 T545 | H459-G527 WeakPolarHBondContact O-CA 3.43Å; E460-G527 WeakPolarHBondContact O-CA 3.26Å; E460-G527 PolarHBondContact O-N 3.02Å; P524-G527 PolarHBondContact O-N 2.83Å; R525-G527 VanDerWaalsContact C-N 3.29Å; R525-G527 PolarHBondContact O-N 3.39Å; G527-Q529 PolarHBondContact O-N 2.86Å; G527-G544 CarbonylContact O-C 3.57Å; G527-G544 WeakPolarHBondContact O-CA 3.33Å; G527-T545 PolarHBondContact O-N 3.37Å; G527-T545 PolarHBondContact O-OG1 2.86Å | ||
| 528 | I | 97.5 | Very high | 89.9 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.015 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 116.6 | -172.7 | -52.6 | -59.5 | 0 | 0 | 0 | 111.1 | T404 C405 H459 V464 T482 L526 I531 V542 | T404-I528 VanDerWaalsContact CB-O 3.25Å; T404-I528 WeakPolarHBondContact CB-O 3.36Å; T404-I528 PolarHBondContact OG1-O 2.98Å; C405-I528 PolarHBondContact SG-O 2.63Å; C405-I528 VanDerWaalsContact SG-O 3.37Å; H459-I528 PolarHBondContact O-N 2.89Å; V464-I528 HydrophobicContact CG2-CG1 4.01Å; V464-I528 HydrophobicContact CG2-CG2 4.13Å; T482-I528 HydrophobicContact CG2-CD1 4.26Å; L526-I528 PolarHBondContact O-N 2.82Å; I528-I531 HydrophobicContact CG2-CD1 4.22Å; I528-I531 HydrophobicContact CG2-CG1 3.78Å; I528-V542 HydrophobicContact CD1-CB 4.5Å; I528-V542 HydrophobicContact CG2-CB 4.41Å |
| 529 | Q | 96.4 | Very high | 90.4 | Very high | 30 Ų | 30 | 39 Ų | 39 | 14% | 0.14 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | -33.3 | -176.6 | -62.1 | -64.5 | -25.1 | 0 | 0 | 113.1 | C405 G527 A543 T545 S611 V612 | C405-Q529 WeakPolarHBondContact CB-O 3.2Å; G527-Q529 PolarHBondContact O-N 2.86Å; Q529-A543 PolarHBondContact N-O 2.65Å; Q529-T545 PolarHBondContact NE2-OG1 3.49Å; Q529-S611 WeakPolarHBondContact CG-OG 3.46Å; Q529-V612 WeakPolarHBondContact CB-O 3.49Å |
| 530 | K | 97.2 | Very high | 91.4 | Very high | 73 Ų | 73 | 37.5 Ų | 37.5 | 32% | 0.317 | 19% | 0.187 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 147.1 | 179.6 | -62.6 | -69.6 | 162.3 | -88.5 | 0 | 111.3 | V542 A543 T613 V615 | K530-V542 WeakPolarHBondContact O-CA 3.38Å; K530-A543 HydrophobicContact CB-CB 4.39Å; K530-A543 PolarHBondContact N-O 3.13Å; K530-A543 VanDerWaalsContact N-O 3.15Å; K530-A543 PolarHBondContact O-N 2.8Å; K530-T613 WeakPolarHBondContact CE-O 3Å; K530-V615 HydrophobicContact CB-CB 4.02Å; K530-V615 HydrophobicContact CB-CG2 3.7Å; K530-V615 HydrophobicContact CG-CB 4.48Å; K530-V615 HydrophobicContact CG-CG2 4.13Å |
| 531 | I | 97.9 | Very high | 92.4 | Very high | 18 Ų | 18 | 29.2 Ų | 29.2 | 9% | 0.092 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 137.5 | 176.5 | -64.1 | 166.8 | 0 | 0 | 0 | 107.9 | C407 L456 V464 I528 L540 V541 V542 | C407-I531 HydrophobicContact CB-CB 4.14Å; C407-I531 HydrophobicContact CB-CG2 4.19Å; L456-I531 HydrophobicContact CB-CD1 4.36Å; L456-I531 HydrophobicContact CB-CG2 4.35Å; L456-I531 HydrophobicContact CD1-CG2 3.69Å; V464-I531 HydrophobicContact CG1-CD1 3.75Å; V464-I531 HydrophobicContact CG2-CD1 3.96Å; V464-I531 HydrophobicContact CG2-CG1 4.28Å; I528-I531 HydrophobicContact CG2-CD1 4.22Å; I528-I531 HydrophobicContact CG2-CG1 3.78Å; I531-L540 HydrophobicContact CG2-CD1 3.9Å; I531-V541 WeakPolarHBondContact CA-O 3.43Å; I531-V542 HydrophobicContact CG1-CG1 4.46Å |
| 532 | S | 96.7 | Very high | 93.7 | Very high | 33 Ų | 33 | 27.2 Ų | 27.2 | 23% | 0.231 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 123.3 | 170.7 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | L540 V541 | S532-L540 CarbonylContact O-C 3.58Å; S532-L540 WeakPolarHBondContact O-CA 3.38Å; S532-V541 PolarHBondContact N-O 2.73Å; S532-V541 PolarHBondContact O-N 3.05Å |
| 533 | L | 96.3 | Very high | 94.8 | Very high | 16 Ų | 16 | 21.6 Ų | 21.6 | 8% | 0.084 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 120.8 | -178.1 | 162.4 | 60.5 | 0 | 0 | 0 | 110.2 | I409 L456 F466 K535 K539 L540 F598 | I409-L533 HydrophobicContact CD1-CB 3.76Å; I409-L533 HydrophobicContact CD1-CD2 3.79Å; I409-L533 HydrophobicContact CD1-CG 3.79Å; L456-L533 HydrophobicContact CD1-CB 4.21Å; L456-L533 HydrophobicContact CD1-CD2 4.03Å; F466-L533 HydrophobicContact CE1-CD2 3.99Å; L533-K535 PolarHBondContact O-N 3.4Å; L533-K539 WeakPolarHBondContact CA-O 3.33Å; L533-K539 WeakPolarHBondContact CD1-O 3.49Å; L533-L540 HydrophobicContact CB-CD1 3.94Å; L533-L540 HydrophobicContact CD1-CB 4.3Å; L533-F598 HydrophobicContact CD1-CE1 4.08Å; L533-F598 HydrophobicContact CD1-CZ 3.81Å; L533-F598 HydrophobicContact CD2-CZ 4.23Å |
| 534 | C | 95.1 | Very high | 95.2 | Very high | 13 Ų | 13 | 21.2 Ų | 21.2 | 9% | 0.088 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 108.7 | 167.9 | 179.9 | 0 | 0 | 0 | 0 | 110 | Y536 S538 K539 L617 T619 | C534-Y536 PolarHBondContact O-N 2.95Å; C534-S538 PolarHBondContact O-N 3.43Å; C534-S538 VanDerWaalsContact O-N 3.08Å; C534-K539 PolarHBondContact N-O 3.09Å; C534-L617 HydrophobicContact CB-CD2 4.3Å; C534-T619 HydrophobicContact CB-CG2 3.51Å; C534-T619 PolarHBondContact SG-OG1 3.37Å |
| 535 | K | 93.4 | Very high | 95.6 | Very high | 16 Ų | 16 | 21.2 Ų | 21.2 | 7% | 0.07 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -17.9 | -178.9 | 67 | -179.3 | 179.5 | 168.3 | 0 | 114.7 | I409 S410 S411 P413 L416 L533 | I409-K535 HydrophobicContact CG2-CB 4.05Å; I409-K535 HydrophobicContact CG2-CD 3.82Å; I409-K535 HydrophobicContact CG2-CG 4.45Å; S410-K535 PolarHBondContact O-NZ 2.84Å; S411-K535 PolarHBondContact O-NZ 3.25Å; P413-K535 WeakPolarHBondContact CD-O 3.5Å; P413-K535 WeakPolarHBondContact CG-O 3.5Å; L416-K535 HydrophobicContact CD2-CB 4.13Å; L416-K535 WeakPolarHBondContact CD2-O 3.13Å; L533-K535 PolarHBondContact O-N 3.4Å |
| 536 | Y | 92.3 | Very high | 95.8 | Very high | 67 Ų | 67 | 19.6 Ų | 19.6 | 26% | 0.263 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | -52 | 179.9 | -60.1 | -72.4 | 0 | 0 | 0 | 112.4 | P413 C534 S538 P819 E821 Q824 | P413-Y536 HydrophobicContact CG-CD1 4.11Å; P413-Y536 HydrophobicContact CG-CE1 4.25Å; C534-Y536 PolarHBondContact O-N 2.95Å; Y536-S538 VanDerWaalsContact C-N 3.29Å; Y536-S538 PolarHBondContact O-N 2.64Å; Y536-P819 WeakPolarHBondContact CD2-O 3.29Å; Y536-E821 HydrophobicContact CE2-CB 3.96Å; Y536-E821 HydrophobicContact CE2-CG 4.47Å; Y536-Q824 HydrophobicContact CD1-CG 3.75Å; Y536-Q824 HydrophobicContact CE1-CB 4.23Å; Y536-Q824 HydrophobicContact CE1-CG 3.73Å; Y536-Q824 HydrophobicContact CG-CG 4.47Å |
| 537 | S | 92.3 | Very high | 95.8 | Very high | 37 Ų | 37 | 19.1 Ų | 19.1 | 26% | 0.259 | 10% | 0.1 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -1.5 | -178.7 | 81.5 | 0 | 0 | 0 | 0 | 114 | K539 T619 | S537-K539 PolarHBondContact O-N 3.38Å; S537-T619 WeakPolarHBondContact OG-CG2 3.42Å |
| 538 | S | 94.6 | Very high | 95.9 | Very high | 16 Ų | 16 | 19.2 Ų | 19.2 | 11% | 0.112 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 37.6 | -174.8 | -47.8 | 0 | 0 | 0 | 0 | 113.8 | C534 Y536 L554 F598 | C534-S538 PolarHBondContact O-N 3.43Å; C534-S538 VanDerWaalsContact O-N 3.08Å; Y536-S538 VanDerWaalsContact C-N 3.29Å; Y536-S538 PolarHBondContact O-N 2.64Å; S538-L554 PolarHBondContact O-N 2.95Å; S538-L554 VanDerWaalsContact O-N 3.08Å; S538-F598 WeakPolarHBondContact O-CE1 3.47Å |
| 539 | K | 95.9 | Very high | 95.9 | Very high | 42 Ų | 42 | 19.1 Ų | 19.1 | 18% | 0.183 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131.4 | 175.7 | -70.4 | -174 | 179.2 | -175.3 | 0 | 110.8 | L533 C534 S537 L552 T619 N622 Y637 | L533-K539 WeakPolarHBondContact CA-O 3.33Å; L533-K539 WeakPolarHBondContact CD1-O 3.49Å; C534-K539 PolarHBondContact N-O 3.09Å; S537-K539 PolarHBondContact O-N 3.38Å; K539-L552 WeakPolarHBondContact CA-O 3.5Å; K539-T619 HydrophobicContact CB-CG2 4.02Å; K539-T619 HydrophobicContact CD-CG2 4.27Å; K539-N622 PolarHBondContact NZ-OD1 3.12Å; K539-Y637 HydrophobicContact CD-CE2 4.27Å; K539-Y637 VanDerWaalsContact NZ-CE2 3.26Å; K539-Y637 PolarHBondContact NZ-OH 2.76Å |
| 540 | L | 97.7 | Very high | 96 | Very high | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 139.5 | -176.3 | 170.6 | 69.9 | 0 | 0 | 0 | 109.2 | F466 L480 I531 S532 L533 V542 L552 F598 | F466-L540 HydrophobicContact CZ-CD2 4.15Å; L480-L540 HydrophobicContact CD2-CD2 3.62Å; I531-L540 HydrophobicContact CG2-CD1 3.9Å; S532-L540 CarbonylContact O-C 3.58Å; S532-L540 WeakPolarHBondContact O-CA 3.38Å; L533-L540 HydrophobicContact CB-CD1 3.94Å; L533-L540 HydrophobicContact CD1-CB 4.3Å; L540-V542 HydrophobicContact CD1-CG1 4.09Å; L540-V542 HydrophobicContact CD2-CG1 4.09Å; L540-V542 HydrophobicContact CG-CG1 3.99Å; L540-L552 HydrophobicContact CB-CB 4.32Å; L540-L552 HydrophobicContact CD2-CD1 4.13Å; L540-L552 HydrophobicContact CG-CD1 4.21Å; L540-L552 PolarHBondContact N-O 3.42Å; L540-L552 PolarHBondContact O-N 3.37Å; L540-F598 HydrophobicContact CB-CD1 3.61Å; L540-F598 HydrophobicContact CB-CE1 3.53Å; L540-F598 HydrophobicContact CB-CG 4.34Å; L540-F598 HydrophobicContact CB-CZ 4.2Å; L540-F598 HydrophobicContact CD2-CB 4.1Å; L540-F598 HydrophobicContact CD2-CD1 3.88Å; L540-F598 HydrophobicContact CD2-CD2 4.03Å; L540-F598 HydrophobicContact CD2-CE1 4.3Å; L540-F598 HydrophobicContact CD2-CE2 4.41Å; L540-F598 HydrophobicContact CD2-CG 3.74Å; L540-F598 HydrophobicContact CG-CD1 4.42Å |
| 541 | V | 98 | Very high | 96 | Very high | 1 Ų | 1 | 14.4 Ų | 14.4 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 130.6 | 166.2 | 178.8 | 0 | 0 | 0 | 0 | 108.2 | I531 S532 V549 I550 V551 V615 L617 I624 | I531-V541 WeakPolarHBondContact CA-O 3.43Å; S532-V541 PolarHBondContact N-O 2.73Å; S532-V541 PolarHBondContact O-N 3.05Å; V541-V549 HydrophobicContact CG1-CG1 3.71Å; V541-I550 WeakPolarHBondContact CA-O 3.42Å; V541-V551 HydrophobicContact CG2-CG2 4.35Å; V541-V615 HydrophobicContact CB-CG1 4.42Å; V541-V615 HydrophobicContact CG1-CG1 3.8Å; V541-L617 HydrophobicContact CG2-CB 4.28Å; V541-L617 HydrophobicContact CG2-CD1 3.87Å; V541-L617 HydrophobicContact CG2-CD2 4.01Å; V541-L617 HydrophobicContact CG2-CG 4.26Å; V541-I624 HydrophobicContact CG2-CG2 3.65Å |
| 542 | V | 98 | Very high | 96 | Very high | 3 Ų | 3 | 13.7 Ų | 13.7 | 2% | 0.018 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 140.3 | 170.7 | -57.8 | 0 | 0 | 0 | 0 | 108.4 | V464 L480 T482 I528 K530 I531 L540 I550 L552 | V464-V542 HydrophobicContact CG2-CG1 3.9Å; L480-V542 HydrophobicContact CD2-CG1 4.41Å; T482-V542 HydrophobicContact CG2-CG2 3.87Å; I528-V542 HydrophobicContact CD1-CB 4.5Å; I528-V542 HydrophobicContact CG2-CB 4.41Å; K530-V542 WeakPolarHBondContact O-CA 3.38Å; I531-V542 HydrophobicContact CG1-CG1 4.46Å; L540-V542 HydrophobicContact CD1-CG1 4.09Å; L540-V542 HydrophobicContact CD2-CG1 4.09Å; L540-V542 HydrophobicContact CG-CG1 3.99Å; V542-I550 HydrophobicContact CG2-CB 3.93Å; V542-I550 HydrophobicContact CG2-CD1 4.42Å; V542-I550 PolarHBondContact N-O 2.82Å; V542-I550 VanDerWaalsContact N-O 3.07Å; V542-I550 PolarHBondContact O-N 3.32Å; V542-L552 HydrophobicContact CG1-CD1 4.36Å; V542-L552 HydrophobicContact CG2-CD1 3.77Å |
| 543 | A | 97.7 | Very high | 95.9 | Very high | 1 Ų | 1 | 13 Ų | 13 | 1% | 0.008 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 140.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q529 K530 Q548 V549 V612 V615 | Q529-A543 PolarHBondContact N-O 2.65Å; K530-A543 HydrophobicContact CB-CB 4.39Å; K530-A543 PolarHBondContact N-O 3.13Å; K530-A543 VanDerWaalsContact N-O 3.15Å; K530-A543 PolarHBondContact O-N 2.8Å; A543-Q548 CarbonylContact C-O 3.49Å; A543-Q548 VanDerWaalsContact CA-O 3.3Å; A543-Q548 WeakPolarHBondContact CA-O 3.4Å; A543-V549 HydrophobicContact CB-CB 4.42Å; A543-V549 HydrophobicContact CB-CG1 4.33Å; A543-V549 HydrophobicContact CB-CG2 3.91Å; A543-V612 HydrophobicContact CB-CB 3.78Å; A543-V612 HydrophobicContact CB-CG1 3.71Å; A543-V612 HydrophobicContact CB-CG2 4.05Å; A543-V615 HydrophobicContact CB-CG2 3.65Å |
| 544 | G | 96.1 | Very high | 95.9 | Very high | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.01 | 7% | 0.07 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | -170.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | G527 Q548 V612 | G527-G544 CarbonylContact O-C 3.57Å; G527-G544 WeakPolarHBondContact O-CA 3.33Å; G544-Q548 PolarHBondContact N-O 3.33Å; G544-V612 PolarHBondContact O-N 3.29Å |
| 545 | T | 95.1 | Very high | 95.9 | Very high | 29 Ų | 29 | 15.2 Ų | 15.2 | 18% | 0.178 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -27.6 | -174.2 | -48.8 | 0 | 0 | 0 | 0 | 113.9 | P524 R525 G527 Q529 A610 S611 | P524-T545 VanDerWaalsContact O-CB 3.29Å; P524-T545 WeakPolarHBondContact O-CB 3.27Å; P524-T545 PolarHBondContact O-OG1 3.05Å; P524-T545 VanDerWaalsContact O-OG1 3.11Å; R525-T545 PolarHBondContact O-N 2.79Å; G527-T545 PolarHBondContact O-N 3.37Å; G527-T545 PolarHBondContact O-OG1 2.86Å; Q529-T545 PolarHBondContact NE2-OG1 3.49Å; T545-A610 CarbonylContact O-C 3.46Å; T545-S611 WeakPolarHBondContact O-CA 3.46Å; T545-S611 WeakPolarHBondContact O-CB 3.38Å; T545-S611 PolarHBondContact O-N 3.22Å |
| 546 | A | 94.4 | Very high | 95.9 | Very high | 2 Ų | 2 | 18 Ų | 18 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | 30.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R525 Q548 L585 Q605 P609 | R525-A546 HydrophobicContact CB-CB 3.77Å; R525-A546 HydrophobicContact CG-CB 4.02Å; R525-A546 PolarHBondContact O-N 3.22Å; A546-Q548 VanDerWaalsContact C-OE1 3.24Å; A546-Q548 PolarHBondContact O-N 3.1Å; A546-L585 HydrophobicContact CB-CG 4.48Å; A546-Q605 PolarHBondContact O-NE2 2.94Å; A546-P609 CarbonylContact C-O 3.6Å; A546-P609 VanDerWaalsContact CA-O 3.3Å; A546-P609 WeakPolarHBondContact CA-O 3.26Å; A546-P609 CarbonylContact O-C 3.54Å; A546-P609 WeakPolarHBondContact O-CA 3.47Å; A546-P609 VanDerWaalsContact O-CB 3.27Å; A546-P609 WeakPolarHBondContact O-CB 3.19Å |
| 547 | G | 94.7 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 73.7 | 6.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | C606 A610 | G547-C606 WeakPolarHBondContact O-CB 3.32Å; G547-C606 PolarHBondContact O-N 3.27Å; G547-C606 PolarHBondContact O-SG 3.04Å; G547-A610 WeakPolarHBondContact CA-O 3.1Å; G547-A610 PolarHBondContact N-O 3.04Å |
| 548 | Q | 96.6 | Very high | 95.8 | Very high | 3 Ų | 3 | 23.2 Ų | 23.2 | 1% | 0.014 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 133.8 | 177 | 77.5 | -76.6 | 26.7 | 0 | 0 | 111.6 | F486 R525 A543 G544 A546 L585 L603 | F486-Q548 HydrophobicContact CE1-CB 4.49Å; F486-Q548 HydrophobicContact CE2-CG 4.42Å; F486-Q548 HydrophobicContact CZ-CB 4.09Å; F486-Q548 HydrophobicContact CZ-CG 3.85Å; R525-Q548 PolarHBondContact O-NE2 3.07Å; A543-Q548 CarbonylContact C-O 3.49Å; A543-Q548 VanDerWaalsContact CA-O 3.3Å; A543-Q548 WeakPolarHBondContact CA-O 3.4Å; G544-Q548 PolarHBondContact N-O 3.33Å; A546-Q548 VanDerWaalsContact C-OE1 3.24Å; A546-Q548 PolarHBondContact O-N 3.1Å; Q548-L585 HydrophobicContact CG-CD1 4.44Å; Q548-L603 HydrophobicContact CB-CD1 3.9Å |
| 549 | V | 98 | Very high | 95.7 | Very high | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 118.3 | 176 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | V541 A543 V604 V612 I624 F626 | V541-V549 HydrophobicContact CG1-CG1 3.71Å; A543-V549 HydrophobicContact CB-CB 4.42Å; A543-V549 HydrophobicContact CB-CG1 4.33Å; A543-V549 HydrophobicContact CB-CG2 3.91Å; V549-V604 HydrophobicContact CB-CB 4.35Å; V549-V604 PolarHBondContact N-O 3.27Å; V549-V604 PolarHBondContact O-N 3.46Å; V549-V612 HydrophobicContact CG2-CG1 4.46Å; V549-V612 HydrophobicContact CG2-CG2 4Å; V549-I624 HydrophobicContact CG1-CD1 4.17Å; V549-F626 HydrophobicContact CG2-CB 4.07Å; V549-F626 HydrophobicContact CG2-CG 4.13Å |
| 550 | I | 97.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 128.1 | -175.9 | -52 | 171.6 | 0 | 0 | 0 | 109.3 | T482 F486 V541 V542 L552 P600 V602 L603 | T482-I550 HydrophobicContact CG2-CD1 4.03Å; F486-I550 HydrophobicContact CE2-CD1 3.98Å; F486-I550 HydrophobicContact CZ-CD1 4Å; V541-I550 WeakPolarHBondContact CA-O 3.42Å; V542-I550 HydrophobicContact CG2-CB 3.93Å; V542-I550 HydrophobicContact CG2-CD1 4.42Å; V542-I550 PolarHBondContact N-O 2.82Å; V542-I550 VanDerWaalsContact N-O 3.07Å; V542-I550 PolarHBondContact O-N 3.32Å; I550-L552 HydrophobicContact CB-CD1 4.14Å; I550-L552 HydrophobicContact CG2-CD1 3.78Å; I550-L552 HydrophobicContact CG2-CG 3.91Å; I550-P600 HydrophobicContact CG2-CB 3.7Å; I550-V602 WeakPolarHBondContact CA-O 3.47Å; I550-L603 HydrophobicContact CG1-CD1 3.97Å |
| 551 | V | 97.5 | Very high | 94.9 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 124.8 | 168.9 | -173 | 0 | 0 | 0 | 0 | 108.5 | V541 Q601 V602 I624 Y637 | V541-V551 HydrophobicContact CG2-CG2 4.35Å; V551-Q601 PolarHBondContact O-N 3.48Å; V551-V602 PolarHBondContact N-O 3.07Å; V551-V602 PolarHBondContact O-N 2.88Å; V551-I624 HydrophobicContact CG2-CD1 3.8Å; V551-I624 HydrophobicContact CG2-CG2 4.48Å; V551-Y637 HydrophobicContact CG1-CD1 4.3Å; V551-Y637 HydrophobicContact CG1-CG 4.2Å; V551-Y637 HydrophobicContact CG2-CD1 4.43Å; V551-Y637 HydrophobicContact CG2-CG 4.42Å |
| 552 | L | 97.2 | Very high | 94.5 | Very high | 3 Ų | 3 | 34.6 Ų | 34.6 | 2% | 0.016 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 151.7 | 178.6 | -53.1 | 96.5 | 0 | 0 | 0 | 111.5 | L480 K539 L540 V542 I550 F598 Q599 P600 | L480-L552 HydrophobicContact CD1-CD2 3.78Å; L480-L552 HydrophobicContact CD2-CD1 4.32Å; L480-L552 HydrophobicContact CD2-CD2 3.76Å; L480-L552 HydrophobicContact CG-CD2 4.41Å; K539-L552 WeakPolarHBondContact CA-O 3.5Å; L540-L552 HydrophobicContact CB-CB 4.32Å; L540-L552 HydrophobicContact CD2-CD1 4.13Å; L540-L552 HydrophobicContact CG-CD1 4.21Å; L540-L552 PolarHBondContact N-O 3.42Å; L540-L552 PolarHBondContact O-N 3.37Å; V542-L552 HydrophobicContact CG1-CD1 4.36Å; V542-L552 HydrophobicContact CG2-CD1 3.77Å; I550-L552 HydrophobicContact CB-CD1 4.14Å; I550-L552 HydrophobicContact CG2-CD1 3.78Å; I550-L552 HydrophobicContact CG2-CG 3.91Å; L552-F598 HydrophobicContact CB-CB 4.11Å; L552-F598 HydrophobicContact CB-CD1 4.26Å; L552-F598 HydrophobicContact CD2-CB 4.11Å; L552-Q599 WeakPolarHBondContact CA-O 3.43Å; L552-Q599 WeakPolarHBondContact CB-O 3.46Å; L552-P600 HydrophobicContact CD2-CB 4.23Å; L552-P600 HydrophobicContact CG-CB 4.31Å |
| 553 | A | 96 | Very high | 94.1 | Very high | 17 Ų | 17 | 35.3 Ų | 35.3 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 146.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | N555 F598 Q599 Q601 | A553-N555 PolarHBondContact O-N 2.73Å; A553-F598 WeakPolarHBondContact O-CA 3.43Å; A553-Q599 PolarHBondContact N-O 3.15Å; A553-Q599 PolarHBondContact O-N 3.46Å; A553-Q601 HydrophobicContact CB-CG 4.27Å |
| 554 | L | 95.9 | Very high | 93.8 | Very high | 12 Ų | 12 | 37.5 Ų | 37.5 | 6% | 0.063 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 117.7 | 175.3 | -177.5 | 57 | 0 | 0 | 0 | 110.9 | L416 R419 L420 S538 G597 F598 | L416-L554 HydrophobicContact CD1-CD2 3.37Å; R419-L554 HydrophobicContact CB-CD2 3.78Å; R419-L554 HydrophobicContact CB-CG 4.44Å; R419-L554 PolarHBondContact NH1-O 2.72Å; R419-L554 PolarHBondContact NH2-O 3.07Å; L420-L554 HydrophobicContact CD2-CD1 4.36Å; L420-L554 HydrophobicContact CD2-CD2 4.08Å; L420-L554 HydrophobicContact CG-CD2 4.36Å; S538-L554 PolarHBondContact O-N 2.95Å; S538-L554 VanDerWaalsContact O-N 3.08Å; L554-G597 WeakPolarHBondContact CA-O 3.27Å; L554-G597 VanDerWaalsContact CD1-C 3.48Å; L554-F598 HydrophobicContact CB-CD1 4.13Å; L554-F598 HydrophobicContact CB-CE1 3.87Å; L554-F598 HydrophobicContact CB-CZ 4.2Å; L554-F598 HydrophobicContact CD1-CD2 4.47Å |
| 555 | N | 95.4 | Very high | 93.7 | Very high | 64 Ų | 64 | 41.3 Ų | 41.3 | 34% | 0.342 | 23% | 0.233 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 149.9 | 175.6 | -168.2 | 13.3 | 0 | 0 | 0 | 110.3 | A553 E557 G597 Q599 | A553-N555 PolarHBondContact O-N 2.73Å; N555-E557 PolarHBondContact ND2-O 2.9Å; N555-G597 PolarHBondContact N-O 2.99Å; N555-G597 PolarHBondContact O-N 2.75Å; N555-Q599 HydrophobicContact CB-CG 4.39Å; N555-Q599 VanDerWaalsContact CB-OE1 3.28Å; N555-Q599 PolarHBondContact ND2-OE1 3.16Å |
| 556 | D | 92.9 | Very high | 93.7 | Very high | 75 Ų | 75 | 41 Ų | 41 | 40% | 0.401 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -96.9 | -20.4 | -173.7 | -56.4 | -49.5 | 0 | 0 | 0 | 113 | R419 P596 | R419-D556 IonicContact CZ-OD1 3.56Å; R419-D556 IonicContact CZ-OD2 2.79Å; R419-D556 VanDerWaalsContact CZ-OD2 3.24Å; R419-D556 VanDerWaalsContact NE-CG 3.27Å; R419-D556 IonicContact NE-OD1 3.36Å; R419-D556 PolarHBondContact NE-OD1 2.94Å; R419-D556 IonicContact NE-OD2 2.87Å; R419-D556 PolarHBondContact NE-OD2 2.89Å; R419-D556 IonicContact NH2-OD1 3.67Å; R419-D556 PolarHBondContact NH2-OD1 2.87Å; R419-D556 VanDerWaalsContact NH2-OD1 3.14Å; R419-D556 IonicContact NH2-OD2 3.87Å; R419-D556 PolarHBondContact NH2-OD2 3.33Å; D556-P596 WeakPolarHBondContact O-CB 3.42Å; D556-P596 WeakPolarHBondContact O-CG 3.19Å |
| 557 | E | 91.9 | Very high | 93.7 | Very high | 134 Ų | 134 | 45 Ų | 45 | 63% | 0.626 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -107.7 | 153.3 | 177.5 | -66.3 | -60.5 | 157.1 | 0 | 0 | 111.4 | N555 Q599 | N555-E557 PolarHBondContact ND2-O 2.9Å; E557-Q599 PolarHBondContact O-NE2 3.4Å |
| 558 | P | 91.8 | Very high | 93.8 | Very high | 80 Ų | 80 | 45.1 Ų | 45.1 | 52% | 0.519 | 26% | 0.257 | S | S | . | . | trans | -65.9 | 155.9 | 172.1 | 29.6 | -34.6 | 0 | 0 | 0 | 112.1 | F594 | P558-F594 CarbonylContact C-O 3.49Å; P558-F594 WeakPolarHBondContact CA-O 3.41Å; P558-F594 WeakPolarHBondContact CB-O 3.39Å | ||
| 559 | S | 90.8 | Very high | 93.7 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 13% | 0.133 | 27% | 0.268 | C | S | . | . | B | Isolated β-bridge | trans | -148.3 | 148.4 | -178.6 | 60.4 | 0 | 0 | 0 | 0 | 113.1 | H561 P593 F594 Q599 | S559-H561 WeakPolarHBondContact CB-ND1 3.49Å; S559-H561 PolarHBondContact OG-CE1 3.17Å; S559-H561 VanDerWaalsContact OG-CE1 3.22Å; S559-H561 PolarHBondContact OG-ND1 2.88Å; S559-H561 VanDerWaalsContact OG-ND1 3.14Å; S559-P593 CarbonylContact O-C 3.58Å; S559-P593 WeakPolarHBondContact O-CA 3.39Å; S559-F594 PolarHBondContact N-O 3.41Å; S559-F594 PolarHBondContact O-N 3.07Å; S559-Q599 PolarHBondContact OG-NE2 2.84Å; S559-Q599 PolarHBondContact OG-OE1 2.87Å |
| 560 | D | 89.1 | Confident | 93.4 | Very high | 139 Ų | 139 | 47.4 Ų | 47.4 | 74% | 0.743 | 27% | 0.269 | S | S | * | . | trans | -114.8 | 20 | -176.7 | 65.3 | -26.1 | 0 | 0 | 0 | 113.2 | P593 | D560-P593 HydrophobicContact CB-CB 4.41Å; D560-P593 HydrophobicContact CB-CG 4.31Å | ||
| 561 | H | 89.1 | Confident | 93 | Very high | 65 Ų | 65 | 47.8 Ų | 47.8 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -70.1 | 148.6 | -177.6 | 65.8 | -92 | 0 | 0 | 0 | 113.2 | S559 P600 | S559-H561 WeakPolarHBondContact CB-ND1 3.49Å; S559-H561 PolarHBondContact OG-CE1 3.17Å; S559-H561 VanDerWaalsContact OG-CE1 3.22Å; S559-H561 PolarHBondContact OG-ND1 2.88Å; S559-H561 VanDerWaalsContact OG-ND1 3.14Å; H561-P600 PolarHBondContact NE2-O 3.3Å |
| 562 | S | 87.9 | Confident | 92.2 | Very high | 74 Ų | 74 | 54.2 Ų | 54.2 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -71.1 | 141.2 | 170.8 | 54 | 0 | 0 | 0 | 0 | 111.8 | ||
| 563 | V | 91.1 | Very high | 91.3 | Very high | 18 Ų | 18 | 60.5 Ų | 60.5 | 11% | 0.109 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -84.1 | 124.7 | 171.8 | -176.1 | 0 | 0 | 0 | 0 | 109.4 | V485 F594 P600 L603 | V485-V563 HydrophobicContact CG1-CG2 4.35Å; V563-F594 HydrophobicContact CG2-CE2 4.1Å; V563-F594 HydrophobicContact CG2-CZ 3.83Å; V563-P600 HydrophobicContact CG1-CB 4.35Å; V563-P600 HydrophobicContact CG2-CB 3.86Å; V563-P600 HydrophobicContact CG2-CG 3.61Å; V563-L603 HydrophobicContact CG1-CB 3.95Å |
| 564 | D | 90.7 | Very high | 90.4 | Very high | 48 Ų | 48 | 62.7 Ų | 62.7 | 26% | 0.257 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 129.1 | 176.4 | -64.4 | -96.3 | 0 | 0 | 0 | 111.1 | Q601 V602 L603 R640 | D564-Q601 PolarHBondContact N-O 2.94Å; D564-V602 WeakPolarHBondContact O-CA 3.16Å; D564-L603 PolarHBondContact O-N 2.99Å; D564-R640 IonicContact OD1-CZ 3.37Å; D564-R640 IonicContact OD1-NH1 2.69Å; D564-R640 PolarHBondContact OD1-NH1 2.91Å; D564-R640 IonicContact OD1-NH2 3.76Å; D564-R640 IonicContact OD2-CZ 2.88Å; D564-R640 IonicContact OD2-NE 3.35Å; D564-R640 IonicContact OD2-NH1 2.82Å; D564-R640 PolarHBondContact OD2-NH1 2.83Å; D564-R640 VanDerWaalsContact OD2-NH1 3.15Å; D564-R640 IonicContact OD2-NH2 3.24Å; D564-R640 PolarHBondContact OD2-NH2 2.82Å |
| 565 | V | 94.3 | Very high | 89.3 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 49% | 0.485 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 125.9 | -178.1 | -171.1 | 0 | 0 | 0 | 0 | 110.1 | A587 L603 | V565-A587 HydrophobicContact CG2-CB 3.88Å; V565-L603 CarbonylContact C-O 3.54Å; V565-L603 WeakPolarHBondContact CA-O 3.18Å; V565-L603 HydrophobicContact CG1-CD2 4.17Å; V565-L603 HydrophobicContact CG1-CG 4.28Å; V565-L603 HydrophobicContact CG2-CD2 4.16Å |
| 566 | S | 94.9 | Very high | 88.3 | Confident | 22 Ų | 22 | 72 Ų | 72 | 15% | 0.154 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 139.8 | 175.5 | -64 | 0 | 0 | 0 | 0 | 110.2 | L603 V604 Q605 F635 | S566-L603 PolarHBondContact N-O 3.46Å; S566-V604 CarbonylContact O-C 3.53Å; S566-V604 WeakPolarHBondContact O-CA 3.44Å; S566-Q605 PolarHBondContact O-N 3.47Å; S566-F635 WeakPolarHBondContact OG-CZ 3.12Å |
| 567 | V | 95.4 | Very high | 87.6 | Confident | 88 Ų | 88 | 70.5 Ų | 70.5 | 53% | 0.533 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 128.6 | -179 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | Q605 L607 | V567-Q605 WeakPolarHBondContact CA-O 3.37Å; V567-L607 HydrophobicContact CG1-CD1 3.5Å; V567-L607 VanDerWaalsContact CG1-CD1 3.5Å; V567-L607 HydrophobicContact CG1-CG 3.77Å |
| 568 | V | 95.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.006 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 103.9 | 177.4 | -179.7 | 0 | 0 | 0 | 0 | 109.1 | L570 V604 Q605 C606 L607 F626 F635 T642 A645 | V568-L570 HydrophobicContact CG1-CD2 4.27Å; V568-V604 HydrophobicContact CB-CG1 4.26Å; V568-V604 HydrophobicContact CG2-CG1 3.62Å; V568-Q605 PolarHBondContact N-O 2.88Å; V568-C606 CarbonylContact O-C 3.47Å; V568-C606 WeakPolarHBondContact O-CA 3.39Å; V568-L607 PolarHBondContact O-N 2.67Å; V568-F626 HydrophobicContact CB-CE2 4.33Å; V568-F626 HydrophobicContact CB-CZ 3.94Å; V568-F626 HydrophobicContact CG1-CE2 4.18Å; V568-F626 HydrophobicContact CG1-CZ 3.91Å; V568-F626 HydrophobicContact CG2-CZ 4.01Å; V568-F635 HydrophobicContact CG2-CD2 4.29Å; V568-T642 HydrophobicContact CG1-CG2 3.99Å; V568-T642 HydrophobicContact CG2-CG2 4Å; V568-T642 WeakPolarHBondContact CG2-OG1 3.3Å; V568-A645 HydrophobicContact CG1-CB 4.07Å |
| 569 | D | 94.3 | Very high | 86.5 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 121.4 | 173.1 | 178.7 | 14.2 | 0 | 0 | 0 | 110.3 | L571 Q572 L607 A645 | D569-L571 VanDerWaalsContact C-N 3.34Å; D569-L571 WeakPolarHBondContact OD1-CA 3.39Å; D569-L571 PolarHBondContact OD1-N 2.98Å; D569-Q572 HydrophobicContact CB-CG 3.7Å; D569-Q572 WeakPolarHBondContact OD2-CG 3.47Å; D569-L607 HydrophobicContact CB-CB 4.16Å; D569-A645 VanDerWaalsContact O-CB 3.31Å; D569-A645 WeakPolarHBondContact O-CB 3.02Å |
| 570 | L | 92.8 | Very high | 86 | Confident | 3 Ų | 3 | 71.4 Ų | 71.4 | 2% | 0.016 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -87.6 | -4.7 | 179.7 | -61.2 | 176.2 | 0 | 0 | 0 | 112.6 | V568 L607 T628 A645 C647 | V568-L570 HydrophobicContact CG1-CD2 4.27Å; L570-L607 PolarHBondContact N-O 2.89Å; L570-T628 HydrophobicContact CD1-CG2 3.88Å; L570-T628 WeakPolarHBondContact CD1-OG1 3.39Å; L570-A645 HydrophobicContact CD2-CB 4.43Å; L570-C647 WeakPolarHBondContact O-CA 3.3Å; L570-C647 WeakPolarHBondContact O-CB 3.48Å; L570-C647 PolarHBondContact O-N 2.88Å |
| 571 | L | 88.1 | Confident | 85.5 | Confident | 11 Ų | 11 | 66 Ų | 66 | 6% | 0.058 | 36% | 0.364 | C | S | . | . | trans | -121.6 | 19.2 | -175.1 | -62 | -176.6 | 0 | 0 | 0 | 113.5 | D569 D573 R574 F577 P608 H630 C647 L649 | D569-L571 VanDerWaalsContact C-N 3.34Å; D569-L571 WeakPolarHBondContact OD1-CA 3.39Å; D569-L571 PolarHBondContact OD1-N 2.98Å; L571-D573 PolarHBondContact O-N 2.74Å; L571-R574 HydrophobicContact CB-CB 4.46Å; L571-R574 WeakPolarHBondContact O-CA 3.36Å; L571-R574 PolarHBondContact O-N 2.91Å; L571-F577 HydrophobicContact CD1-CB 4.07Å; L571-F577 HydrophobicContact CD1-CD1 3.38Å; L571-F577 HydrophobicContact CD1-CD2 4.02Å; L571-F577 HydrophobicContact CD1-CE1 3.73Å; L571-F577 HydrophobicContact CD1-CE2 4.31Å; L571-F577 HydrophobicContact CD1-CG 3.54Å; L571-F577 HydrophobicContact CD1-CZ 4.18Å; L571-P608 HydrophobicContact CD1-CG 3.51Å; L571-P608 HydrophobicContact CG-CG 4.31Å; L571-H630 HydrophobicContact CD2-CB 4.29Å; L571-C647 HydrophobicContact CD2-CB 4.35Å; L571-C647 VanDerWaalsContact CD2-SG 3.58Å; L571-L649 HydrophobicContact CD2-CD1 4.14Å | ||
| 572 | Q | 81.3 | Confident | 85.3 | Confident | 137 Ų | 137 | 67.2 Ų | 67.2 | 64% | 0.64 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.3 | -36 | 179 | -66.8 | 178.5 | -7.6 | 0 | 0 | 113.5 | D569 R574 | D569-Q572 HydrophobicContact CB-CG 3.7Å; D569-Q572 WeakPolarHBondContact OD2-CG 3.47Å; Q572-R574 PolarHBondContact O-N 2.84Å |
| 573 | D | 77.5 | Confident | 85.4 | Confident | 134 Ų | 134 | 69.3 Ų | 69.3 | 72% | 0.717 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | 8.2 | 177.2 | -57.7 | -43.1 | 0 | 0 | 0 | 114.2 | L571 | L571-D573 PolarHBondContact O-N 2.74Š|
| 574 | R | 76.7 | Confident | 85.4 | Confident | 63 Ų | 63 | 73.1 Ų | 73.1 | 24% | 0.238 | 39% | 0.389 | C | S | . | . | trans | -136.9 | 97.5 | -170.5 | -67.8 | -161.5 | 179 | -158.7 | 2.4 | 114.8 | L571 Q572 C647 L649 H650 | L571-R574 HydrophobicContact CB-CB 4.46Å; L571-R574 WeakPolarHBondContact O-CA 3.36Å; L571-R574 PolarHBondContact O-N 2.91Å; Q572-R574 PolarHBondContact O-N 2.84Å; R574-C647 PolarHBondContact NE-SG 2.79Å; R574-C647 VanDerWaalsContact NE-SG 3.4Å; R574-L649 PolarHBondContact NH2-O 3.04Å; R574-H650 PolarHBondContact NH1-O 3.18Å; R574-H650 PolarHBondContact NH2-O 2.79Å | ||
| 575 | E | 73.6 | Confident | 85.5 | Confident | 199 Ų | 199 | 71.1 Ų | 71.1 | 93% | 0.93 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 151.7 | 166.3 | -60.2 | -176.9 | 178.8 | 0 | 0 | 112.4 | F577 | E575-F577 PolarHBondContact O-N 2.85Š|
| 576 | G | 74.4 | Confident | 85.4 | Confident | 74 Ų | 74 | 73.2 Ų | 73.2 | 76% | 0.763 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -3.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 577 | F | 77.7 | Confident | 85.2 | Confident | 42 Ų | 42 | 73.5 Ų | 73.5 | 18% | 0.184 | 39% | 0.387 | C | S | . | . | trans | -68.4 | 137.9 | 171.7 | -177.2 | -89.5 | 0 | 0 | 0 | 111.3 | L571 E575 W579 P608 H630 L649 A656 | L571-F577 HydrophobicContact CD1-CB 4.07Å; L571-F577 HydrophobicContact CD1-CD1 3.38Å; L571-F577 HydrophobicContact CD1-CD2 4.02Å; L571-F577 HydrophobicContact CD1-CE1 3.73Å; L571-F577 HydrophobicContact CD1-CE2 4.31Å; L571-F577 HydrophobicContact CD1-CG 3.54Å; L571-F577 HydrophobicContact CD1-CZ 4.18Å; E575-F577 PolarHBondContact O-N 2.85Å; F577-W579 HydrophobicContact CE1-CB 4.44Å; F577-W579 HydrophobicContact CE1-CE3 4.48Å; F577-P608 HydrophobicContact CD1-CG 4.18Å; F577-P608 HydrophobicContact CE1-CB 4.44Å; F577-P608 HydrophobicContact CE1-CG 3.58Å; F577-P608 HydrophobicContact CZ-CG 4.31Å; F577-H630 AromaticContact CZ-CD2 3.69Å; F577-H630 AromaticContact CZ-NE2 3.48Å; F577-H630 WeakPolarHBondContact CZ-NE2 3.39Å; F577-L649 HydrophobicContact CE2-CD1 4.41Å; F577-A656 HydrophobicContact CE2-CB 4.1Å; F577-A656 HydrophobicContact CZ-CB 4.13Å | ||
| 578 | T | 78.4 | Confident | 84.9 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 43% | 0.429 | 37% | 0.374 | S | S | . | . | trans | -119.7 | 119.2 | 175.3 | 60.5 | 0 | 0 | 0 | 0 | 110.8 | K580 | T578-K580 VanDerWaalsContact OG1-CE 3.32Å; T578-K580 WeakPolarHBondContact OG1-CE 3.43Å | ||
| 579 | W | 83.3 | Confident | 84.1 | Confident | 62 Ų | 62 | 80.1 Ų | 80.1 | 24% | 0.235 | 41% | 0.413 | C | S | . | . | trans | -65.4 | 139.1 | 173 | 179.7 | -123.1 | 0 | 0 | 0 | 111.4 | F577 G581 H582 P608 P609 A610 H630 | F577-W579 HydrophobicContact CE1-CB 4.44Å; F577-W579 HydrophobicContact CE1-CE3 4.48Å; W579-G581 PolarHBondContact NE1-O 2.79Å; W579-H582 PolarHBondContact NE1-O 3.42Å; W579-P608 HydrophobicContact CB-CB 4.43Å; W579-P608 HydrophobicContact CD2-CB 3.8Å; W579-P608 HydrophobicContact CE3-CB 3.54Å; W579-P608 HydrophobicContact CE3-CG 4.35Å; W579-P608 HydrophobicContact CG-CB 4.2Å; W579-P608 HydrophobicContact CZ3-CB 4.12Å; W579-P609 HydrophobicContact CZ2-CG 4.31Å; W579-A610 HydrophobicContact CH2-CB 3.72Å; W579-A610 HydrophobicContact CZ3-CB 4.02Å; W579-H630 AromaticContact CZ3-CE1 3.66Å; W579-H630 AromaticContact CZ3-NE2 3.92Å | ||
| 580 | K | 79 | Confident | 83.5 | Confident | 120 Ų | 120 | 86.9 Ų | 86.9 | 52% | 0.522 | 44% | 0.44 | S | S | . | . | trans | -145.4 | 61.6 | -176.2 | -67.6 | -179.1 | -177.9 | 166.4 | 0 | 110.4 | T578 L655 | T578-K580 VanDerWaalsContact OG1-CE 3.32Å; T578-K580 WeakPolarHBondContact OG1-CE 3.43Å; K580-L655 HydrophobicContact CD-CD2 4.19Å | ||
| 581 | G | 80.4 | Confident | 82.9 | Confident | 27 Ų | 27 | 87.7 Ų | 87.7 | 28% | 0.278 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -154.9 | -160.5 | 175 | 0 | 0 | 0 | 0 | 0 | 110.5 | W579 E658 | W579-G581 PolarHBondContact NE1-O 2.79Å; G581-E658 WeakPolarHBondContact CA-OE2 3.43Å |
| 582 | H | 83.7 | Confident | 82.6 | Confident | 90 Ų | 90 | 89.9 Ų | 89.9 | 42% | 0.417 | 47% | 0.466 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 141.4 | 175.3 | -75.9 | -92.4 | 0 | 0 | 0 | 112.6 | R525 W579 E658 | R525-H582 HydrophobicContact CG-CB 3.97Å; W579-H582 PolarHBondContact NE1-O 3.42Å; H582-E658 IonicContact CD2-OE1 2.73Å |
| 583 | D | 89.6 | Confident | 83 | Confident | 117 Ų | 117 | 87.8 Ų | 87.8 | 63% | 0.626 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -70.2 | 159.8 | 170.9 | -73.2 | -58.9 | 0 | 0 | 0 | 112 | R525 | R525-D583 WeakPolarHBondContact CD-O 3.44Š|
| 584 | K | 92.3 | Very high | 83.7 | Confident | 98 Ų | 98 | 82 Ų | 82 | 43% | 0.426 | 43% | 0.432 | S | S | . | . | P | Polyproline II helix | trans | -56 | 155.3 | 174.6 | 67.4 | 177.2 | -175.2 | 174.5 | 0 | 111.2 | Q605 P609 | K584-Q605 HydrophobicContact CB-CG 4.42Å; K584-P609 HydrophobicContact CB-CB 3.92Å; K584-P609 HydrophobicContact CB-CG 4.43Å |
| 585 | L | 92.2 | Very high | 84.4 | Confident | 7 Ų | 7 | 81.9 Ų | 81.9 | 4% | 0.037 | 44% | 0.44 | C | S | . | . | P | Polyproline II helix | trans | -76.8 | 142.3 | 164.9 | -71.5 | 164.4 | 0 | 0 | 0 | 110.1 | F486 D523 R525 L526 A546 Q548 | F486-L585 HydrophobicContact CB-CB 4.31Å; F486-L585 HydrophobicContact CD1-CB 3.43Å; F486-L585 VanDerWaalsContact CD1-CB 3.43Å; F486-L585 HydrophobicContact CD1-CD1 4.26Å; F486-L585 HydrophobicContact CD1-CG 4.42Å; F486-L585 HydrophobicContact CD2-CD1 4.11Å; F486-L585 HydrophobicContact CE1-CB 3.83Å; F486-L585 HydrophobicContact CE1-CD1 4.35Å; F486-L585 HydrophobicContact CE2-CD1 4.22Å; F486-L585 HydrophobicContact CG-CB 3.89Å; F486-L585 HydrophobicContact CG-CD1 4.13Å; F486-L585 HydrophobicContact CG-CG 4.48Å; F486-L585 HydrophobicContact CZ-CD1 4.34Å; D523-L585 WeakPolarHBondContact OD2-CD2 3.34Å; R525-L585 HydrophobicContact CB-CD1 4.08Å; R525-L585 HydrophobicContact CB-CD2 3.89Å; R525-L585 HydrophobicContact CB-CG 3.89Å; L526-L585 HydrophobicContact CD2-CD1 3.79Å; L526-L585 HydrophobicContact CD2-CD2 4.46Å; L526-L585 HydrophobicContact CG-CD1 4.38Å; A546-L585 HydrophobicContact CB-CG 4.48Å; Q548-L585 HydrophobicContact CG-CD1 4.44Å |
| 586 | E | 91.3 | Very high | 85.4 | Confident | 124 Ų | 124 | 73.7 Ų | 73.7 | 58% | 0.579 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 121 | 177.6 | -57.7 | -146.9 | 132.7 | 0 | 0 | 110.4 | F486 H487 | F486-E586 CarbonylContact C-O 3.59Å; F486-E586 VanDerWaalsContact CA-O 3.23Å; F486-E586 WeakPolarHBondContact CA-O 3.43Å; H487-E586 PolarHBondContact N-O 3.03Å |
| 587 | A | 91.1 | Very high | 86.4 | Confident | 28 Ų | 28 | 70.2 Ų | 70.2 | 23% | 0.231 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 135.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V485 V565 L589 L603 | V485-A587 CarbonylContact O-C 3.5Å; V485-A587 WeakPolarHBondContact O-CA 3.44Å; V565-A587 HydrophobicContact CG2-CB 3.88Å; A587-L589 PolarHBondContact O-N 3.25Å; A587-L603 HydrophobicContact CB-CD2 3.7Å |
| 588 | R | 89.2 | Confident | 87.2 | Confident | 67 Ų | 67 | 68.5 Ų | 68.5 | 25% | 0.253 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 123.2 | 176.4 | -58.6 | -168.4 | -168 | -136.4 | -3.1 | 110 | V485 F486 D491 K590 | V485-R588 PolarHBondContact O-N 3.46Å; F486-R588 VanDerWaalsContact O-CZ 3.31Å; F486-R588 PolarHBondContact O-NE 2.68Å; F486-R588 PolarHBondContact O-NH2 3.38Å; D491-R588 IonicContact OD1-CZ 2.69Å; D491-R588 IonicContact OD1-NH1 2.7Å; D491-R588 PolarHBondContact OD1-NH1 3.36Å; D491-R588 VanDerWaalsContact OD1-NH1 3.1Å; D491-R588 IonicContact OD1-NH2 3.78Å; D491-R588 PolarHBondContact OD1-NH2 2.96Å; D491-R588 IonicContact OD2-CZ 3.53Å; D491-R588 IonicContact OD2-NH1 3.33Å; D491-R588 IonicContact OD2-NH2 2.81Å; D491-R588 PolarHBondContact OD2-NH2 3.42Å; R588-K590 PolarHBondContact O-N 3.13Å |
| 589 | L | 80.1 | Confident | 88.1 | Confident | 161 Ų | 161 | 65.5 Ų | 65.5 | 84% | 0.843 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -61.7 | -26.4 | 174.1 | -66.6 | 175 | 0 | 0 | 0 | 113 | A587 | A587-L589 PolarHBondContact O-N 3.25Š|
| 590 | K | 80.1 | Confident | 88.6 | Confident | 190 Ų | 190 | 62.8 Ų | 62.8 | 83% | 0.826 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -137.9 | 97.8 | 170.9 | -67.5 | -172.5 | 178.4 | -175 | 0 | 108.4 | R588 | R588-K590 PolarHBondContact O-N 3.13Š|
| 591 | P | 80.4 | Confident | 89.3 | Confident | 21 Ų | 21 | 60.8 Ų | 60.8 | 14% | 0.136 | 32% | 0.324 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 163.7 | 172.3 | 30.3 | -34.5 | 0 | 0 | 0 | 110.7 | F594 | P591-F594 HydrophobicContact CB-CE1 4.23Å; P591-F594 HydrophobicContact CB-CE2 4.31Å; P591-F594 HydrophobicContact CB-CZ 3.66Å; P591-F594 HydrophobicContact CG-CE2 3.76Å; P591-F594 HydrophobicContact CG-CZ 3.52Å |
| 592 | A | 82.9 | Confident | 90.1 | Very high | 57 Ų | 57 | 59.7 Ų | 59.7 | 47% | 0.471 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 152.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | F594 | A592-F594 PolarHBondContact O-N 2.96Š|
| 593 | P | 88.8 | Confident | 90.7 | Very high | 93 Ų | 93 | 55.5 Ų | 55.5 | 60% | 0.604 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -52.8 | 128.7 | -179.8 | -27.6 | 35.3 | 0 | 0 | 0 | 112.7 | S559 D560 | S559-P593 CarbonylContact O-C 3.58Å; S559-P593 WeakPolarHBondContact O-CA 3.39Å; D560-P593 HydrophobicContact CB-CB 4.41Å; D560-P593 HydrophobicContact CB-CG 4.31Å |
| 594 | F | 91.8 | Very high | 91 | Very high | 12 Ų | 12 | 50 Ų | 50 | 5% | 0.053 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -75.5 | 133.1 | 178.9 | -58 | -68.8 | 0 | 0 | 0 | 110.2 | V485 P558 S559 V563 P591 A592 Q599 P600 | V485-F594 HydrophobicContact CG2-CE1 4.23Å; V485-F594 HydrophobicContact CG2-CZ 4.43Å; P558-F594 CarbonylContact C-O 3.49Å; P558-F594 WeakPolarHBondContact CA-O 3.41Å; P558-F594 WeakPolarHBondContact CB-O 3.39Å; S559-F594 PolarHBondContact N-O 3.41Å; S559-F594 PolarHBondContact O-N 3.07Å; V563-F594 HydrophobicContact CG2-CE2 4.1Å; V563-F594 HydrophobicContact CG2-CZ 3.83Å; P591-F594 HydrophobicContact CB-CE1 4.23Å; P591-F594 HydrophobicContact CB-CE2 4.31Å; P591-F594 HydrophobicContact CB-CZ 3.66Å; P591-F594 HydrophobicContact CG-CE2 3.76Å; P591-F594 HydrophobicContact CG-CZ 3.52Å; A592-F594 PolarHBondContact O-N 2.96Å; F594-Q599 HydrophobicContact CB-CB 4.45Å; F594-Q599 HydrophobicContact CB-CG 3.89Å; F594-P600 HydrophobicContact CD1-CG 4.05Å; F594-P600 HydrophobicContact CD2-CG 4.37Å; F594-P600 HydrophobicContact CE1-CG 3.47Å; F594-P600 VanDerWaalsContact CE1-CG 3.47Å; F594-P600 HydrophobicContact CE2-CG 3.82Å; F594-P600 HydrophobicContact CG-CG 4.48Å; F594-P600 HydrophobicContact CZ-CG 3.33Å |
| 595 | P | 92.2 | Very high | 91.3 | Very high | 61 Ų | 61 | 45.7 Ų | 45.7 | 40% | 0.396 | 25% | 0.245 | S | C | . | . | P | Polyproline II helix | trans | -71.2 | 171.2 | 174.5 | 31.6 | -36.2 | 0 | 0 | 0 | 111.7 | Q599 | P595-Q599 PolarHBondContact O-NE2 2.89Š|
| 596 | P | 93.9 | Very high | 91.4 | Very high | 27 Ų | 27 | 45.4 Ų | 45.4 | 18% | 0.175 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -48.3 | 144 | 163.7 | -30.5 | 38.3 | 0 | 0 | 0 | 113 | A426 D556 | A426-P596 HydrophobicContact CB-CB 4.4Å; A426-P596 HydrophobicContact CB-CG 4.4Å; D556-P596 WeakPolarHBondContact O-CB 3.42Å; D556-P596 WeakPolarHBondContact O-CG 3.19Å |
| 597 | G | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 121.3 | -148.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y478 L554 N555 Q599 | Y478-G597 WeakPolarHBondContact OH-CA 3.36Å; L554-G597 WeakPolarHBondContact CA-O 3.27Å; L554-G597 VanDerWaalsContact CD1-C 3.48Å; N555-G597 PolarHBondContact N-O 2.99Å; N555-G597 PolarHBondContact O-N 2.75Å; G597-Q599 PolarHBondContact O-N 2.96Å |
| 598 | F | 96.5 | Very high | 91.5 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.026 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 112 | 179.4 | -78.5 | -76.9 | 0 | 0 | 0 | 111.1 | L420 F466 Y478 L480 L533 S538 L540 L552 A553 L554 | L420-F598 HydrophobicContact CD2-CD2 4.33Å; L420-F598 HydrophobicContact CD2-CE2 3.56Å; L420-F598 HydrophobicContact CD2-CZ 4.3Å; F466-F598 HydrophobicContact CE1-CD2 4.17Å; F466-F598 AromaticContact CE1-CE2 3.45Å; F466-F598 HydrophobicContact CE1-CE2 3.45Å; F466-F598 VanDerWaalsContact CE1-CE2 3.45Å; F466-F598 HydrophobicContact CE1-CZ 4.25Å; F466-F598 HydrophobicContact CE2-CD2 4.27Å; F466-F598 HydrophobicContact CE2-CE2 4.35Å; F466-F598 AromaticContact CZ-CD2 3.63Å; F466-F598 HydrophobicContact CZ-CD2 3.63Å; F466-F598 AromaticContact CZ-CE2 3.35Å; F466-F598 HydrophobicContact CZ-CE2 3.35Å; F466-F598 HydrophobicContact CZ-CZ 4.28Å; Y478-F598 HydrophobicContact CD1-CD2 4.45Å; Y478-F598 HydrophobicContact CE1-CB 4.49Å; Y478-F598 AromaticContact CE1-CD2 3.97Å; Y478-F598 HydrophobicContact CE1-CD2 3.97Å; Y478-F598 PolarHBondContact OH-N 2.75Å; L480-F598 HydrophobicContact CD1-CB 4.27Å; L480-F598 WeakPolarHBondContact CD1-O 3.44Å; L480-F598 HydrophobicContact CD2-CB 4.41Å; L533-F598 HydrophobicContact CD1-CE1 4.08Å; L533-F598 HydrophobicContact CD1-CZ 3.81Å; L533-F598 HydrophobicContact CD2-CZ 4.23Å; S538-F598 WeakPolarHBondContact O-CE1 3.47Å; L540-F598 HydrophobicContact CB-CD1 3.61Å; L540-F598 HydrophobicContact CB-CE1 3.53Å; L540-F598 HydrophobicContact CB-CG 4.34Å; L540-F598 HydrophobicContact CB-CZ 4.2Å; L540-F598 HydrophobicContact CD2-CB 4.1Å; L540-F598 HydrophobicContact CD2-CD1 3.88Å; L540-F598 HydrophobicContact CD2-CD2 4.03Å; L540-F598 HydrophobicContact CD2-CE1 4.3Å; L540-F598 HydrophobicContact CD2-CE2 4.41Å; L540-F598 HydrophobicContact CD2-CG 3.74Å; L540-F598 HydrophobicContact CG-CD1 4.42Å; L552-F598 HydrophobicContact CB-CB 4.11Å; L552-F598 HydrophobicContact CB-CD1 4.26Å; L552-F598 HydrophobicContact CD2-CB 4.11Å; A553-F598 WeakPolarHBondContact O-CA 3.43Å; L554-F598 HydrophobicContact CB-CD1 4.13Å; L554-F598 HydrophobicContact CB-CE1 3.87Å; L554-F598 HydrophobicContact CB-CZ 4.2Å; L554-F598 HydrophobicContact CD1-CD2 4.47Å |
| 599 | Q | 95.5 | Very high | 91.7 | Very high | 8 Ų | 8 | 38.7 Ų | 38.7 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 133.6 | -178 | -63.5 | 173.6 | -8.6 | 0 | 0 | 110 | L552 A553 N555 E557 S559 F594 P595 G597 | L552-Q599 WeakPolarHBondContact CA-O 3.43Å; L552-Q599 WeakPolarHBondContact CB-O 3.46Å; A553-Q599 PolarHBondContact N-O 3.15Å; A553-Q599 PolarHBondContact O-N 3.46Å; N555-Q599 HydrophobicContact CB-CG 4.39Å; N555-Q599 VanDerWaalsContact CB-OE1 3.28Å; N555-Q599 PolarHBondContact ND2-OE1 3.16Å; E557-Q599 PolarHBondContact O-NE2 3.4Å; S559-Q599 PolarHBondContact OG-NE2 2.84Å; S559-Q599 PolarHBondContact OG-OE1 2.87Å; F594-Q599 HydrophobicContact CB-CB 4.45Å; F594-Q599 HydrophobicContact CB-CG 3.89Å; P595-Q599 PolarHBondContact O-NE2 2.89Å; G597-Q599 PolarHBondContact O-N 2.96Å |
| 600 | P | 95.1 | Very high | 92.3 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 135.2 | -178.3 | 29.6 | -34.7 | 0 | 0 | 0 | 111.3 | V485 I550 L552 H561 V563 F594 | V485-P600 HydrophobicContact CG2-CB 4.26Å; V485-P600 HydrophobicContact CG2-CG 3.84Å; I550-P600 HydrophobicContact CG2-CB 3.7Å; L552-P600 HydrophobicContact CD2-CB 4.23Å; L552-P600 HydrophobicContact CG-CB 4.31Å; H561-P600 PolarHBondContact NE2-O 3.3Å; V563-P600 HydrophobicContact CG1-CB 4.35Å; V563-P600 HydrophobicContact CG2-CB 3.86Å; V563-P600 HydrophobicContact CG2-CG 3.61Å; F594-P600 HydrophobicContact CD1-CG 4.05Å; F594-P600 HydrophobicContact CD2-CG 4.37Å; F594-P600 HydrophobicContact CE1-CG 3.47Å; F594-P600 VanDerWaalsContact CE1-CG 3.47Å; F594-P600 HydrophobicContact CE2-CG 3.82Å; F594-P600 HydrophobicContact CG-CG 4.48Å; F594-P600 HydrophobicContact CZ-CG 3.33Å |
| 601 | Q | 93.9 | Very high | 92.9 | Very high | 78 Ų | 78 | 23.3 Ų | 23.3 | 36% | 0.364 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | -44.5 | 179.6 | -59.5 | -166.8 | -46.3 | 0 | 0 | 111.6 | V551 A553 D564 | V551-Q601 PolarHBondContact O-N 3.48Å; A553-Q601 HydrophobicContact CB-CG 4.27Å; D564-Q601 PolarHBondContact N-O 2.94Å |
| 602 | V | 95.5 | Very high | 93.7 | Very high | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.024 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 136.1 | -179.4 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | I550 V551 D564 V604 F635 R640 | I550-V602 WeakPolarHBondContact CA-O 3.47Å; V551-V602 PolarHBondContact N-O 3.07Å; V551-V602 PolarHBondContact O-N 2.88Å; D564-V602 WeakPolarHBondContact O-CA 3.16Å; V602-V604 HydrophobicContact CG1-CG2 4.29Å; V602-F635 HydrophobicContact CG1-CE1 3.92Å; V602-F635 HydrophobicContact CG1-CZ 4.14Å; V602-R640 HydrophobicContact CG2-CG 4.37Å |
| 603 | L | 96.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 21.3 Ų | 21.3 | 2% | 0.016 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118.5 | 169.1 | 165 | 60.5 | 0 | 0 | 0 | 108.9 | V485 F486 Q548 I550 V563 D564 V565 S566 A587 | V485-L603 HydrophobicContact CG1-CD2 4.39Å; F486-L603 HydrophobicContact CE1-CD1 4.29Å; F486-L603 HydrophobicContact CE1-CD2 3.69Å; F486-L603 HydrophobicContact CZ-CD1 4.17Å; F486-L603 HydrophobicContact CZ-CD2 4.22Å; Q548-L603 HydrophobicContact CB-CD1 3.9Å; I550-L603 HydrophobicContact CG1-CD1 3.97Å; V563-L603 HydrophobicContact CG1-CB 3.95Å; D564-L603 PolarHBondContact O-N 2.99Å; V565-L603 CarbonylContact C-O 3.54Å; V565-L603 WeakPolarHBondContact CA-O 3.18Å; V565-L603 HydrophobicContact CG1-CD2 4.17Å; V565-L603 HydrophobicContact CG1-CG 4.28Å; V565-L603 HydrophobicContact CG2-CD2 4.16Å; S566-L603 PolarHBondContact N-O 3.46Å; A587-L603 HydrophobicContact CB-CD2 3.7Å |
| 604 | V | 97.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 119.7 | 169.6 | -175.2 | 0 | 0 | 0 | 0 | 108.7 | V549 S566 V568 V602 I624 F626 F635 | V549-V604 HydrophobicContact CB-CB 4.35Å; V549-V604 PolarHBondContact N-O 3.27Å; V549-V604 PolarHBondContact O-N 3.46Å; S566-V604 CarbonylContact O-C 3.53Å; S566-V604 WeakPolarHBondContact O-CA 3.44Å; V568-V604 HydrophobicContact CB-CG1 4.26Å; V568-V604 HydrophobicContact CG2-CG1 3.62Å; V602-V604 HydrophobicContact CG1-CG2 4.29Å; V604-I624 HydrophobicContact CG2-CD1 4.17Å; V604-F626 HydrophobicContact CG1-CE1 3.85Å; V604-F626 HydrophobicContact CG1-CZ 3.72Å; V604-F635 HydrophobicContact CG2-CD1 3.6Å; V604-F635 HydrophobicContact CG2-CD2 4.2Å; V604-F635 HydrophobicContact CG2-CE1 3.54Å; V604-F635 HydrophobicContact CG2-CE2 4.18Å; V604-F635 HydrophobicContact CG2-CG 3.94Å; V604-F635 HydrophobicContact CG2-CZ 3.85Å |
| 605 | Q | 96.9 | Very high | 95 | Very high | 9 Ų | 9 | 17.7 Ų | 17.7 | 4% | 0.042 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.3 | 177.7 | 178.3 | 58.4 | 57.6 | 0 | 0 | 110 | A546 S566 V567 V568 K584 | A546-Q605 PolarHBondContact O-NE2 2.94Å; S566-Q605 PolarHBondContact O-N 3.47Å; V567-Q605 WeakPolarHBondContact CA-O 3.37Å; V568-Q605 PolarHBondContact N-O 2.88Å; K584-Q605 HydrophobicContact CB-CG 4.42Å |
| 606 | C | 95.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 143.3 | 171.9 | -57.6 | 0 | 0 | 0 | 0 | 110.9 | G547 V568 P608 P609 F626 T628 | G547-C606 WeakPolarHBondContact O-CB 3.32Å; G547-C606 PolarHBondContact O-N 3.27Å; G547-C606 PolarHBondContact O-SG 3.04Å; V568-C606 CarbonylContact O-C 3.47Å; V568-C606 WeakPolarHBondContact O-CA 3.39Å; C606-P608 CarbonylContact C-O 3.56Å; C606-P608 CarbonylContact O-C 3.51Å; C606-P609 WeakPolarHBondContact O-CA 3.37Å; C606-F626 VanDerWaalsContact SG-CD2 3.54Å; C606-F626 VanDerWaalsContact SG-CE2 3.55Å; C606-T628 HydrophobicContact CB-CG2 4.4Å |
| 607 | L | 92.7 | Very high | 95.3 | Very high | 61 Ų | 61 | 14.9 Ų | 14.9 | 32% | 0.319 | 8% | 0.084 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 133.9 | 158.8 | -64.7 | 177.9 | 0 | 0 | 0 | 109.5 | V567 V568 D569 L570 | V567-L607 HydrophobicContact CG1-CD1 3.5Å; V567-L607 VanDerWaalsContact CG1-CD1 3.5Å; V567-L607 HydrophobicContact CG1-CG 3.77Å; V568-L607 PolarHBondContact O-N 2.67Å; D569-L607 HydrophobicContact CB-CB 4.16Å; L570-L607 PolarHBondContact N-O 2.89Å |
| 608 | P | 92.1 | Very high | 95.3 | Very high | 9 Ų | 9 | 15.8 Ų | 15.8 | 6% | 0.058 | 9% | 0.088 | C | C | . | . | S | Bend | cis | -56.1 | 155.2 | -14 | -21.7 | 33.4 | 0 | 0 | 0 | 112.5 | L571 F577 W579 C606 A610 | L571-P608 HydrophobicContact CD1-CG 3.51Å; L571-P608 HydrophobicContact CG-CG 4.31Å; F577-P608 HydrophobicContact CD1-CG 4.18Å; F577-P608 HydrophobicContact CE1-CB 4.44Å; F577-P608 HydrophobicContact CE1-CG 3.58Å; F577-P608 HydrophobicContact CZ-CG 4.31Å; W579-P608 HydrophobicContact CB-CB 4.43Å; W579-P608 HydrophobicContact CD2-CB 3.8Å; W579-P608 HydrophobicContact CE3-CB 3.54Å; W579-P608 HydrophobicContact CE3-CG 4.35Å; W579-P608 HydrophobicContact CG-CB 4.2Å; W579-P608 HydrophobicContact CZ3-CB 4.12Å; C606-P608 CarbonylContact C-O 3.56Å; C606-P608 CarbonylContact O-C 3.51Å; P608-A610 PolarHBondContact O-N 3.34Å |
| 609 | P | 93.6 | Very high | 95.2 | Very high | 9 Ų | 9 | 15.6 Ų | 15.6 | 6% | 0.058 | 9% | 0.087 | C | C | . | . | trans | -75.9 | 55.4 | -177.1 | 33.8 | -37.6 | 0 | 0 | 0 | 112 | A546 W579 K584 C606 | A546-P609 CarbonylContact C-O 3.6Å; A546-P609 VanDerWaalsContact CA-O 3.3Å; A546-P609 WeakPolarHBondContact CA-O 3.26Å; A546-P609 CarbonylContact O-C 3.54Å; A546-P609 WeakPolarHBondContact O-CA 3.47Å; A546-P609 VanDerWaalsContact O-CB 3.27Å; A546-P609 WeakPolarHBondContact O-CB 3.19Å; W579-P609 HydrophobicContact CZ2-CG 4.31Å; K584-P609 HydrophobicContact CB-CB 3.92Å; K584-P609 HydrophobicContact CB-CG 4.43Å; C606-P609 WeakPolarHBondContact O-CA 3.37Å | ||
| 610 | A | 91.8 | Very high | 94.9 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.017 | 10% | 0.101 | C | C | . | . | trans | -92.6 | 149.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | T545 G547 W579 P608 V612 H630 | T545-A610 CarbonylContact O-C 3.46Å; G547-A610 WeakPolarHBondContact CA-O 3.1Å; G547-A610 PolarHBondContact N-O 3.04Å; W579-A610 HydrophobicContact CH2-CB 3.72Å; W579-A610 HydrophobicContact CZ3-CB 4.02Å; P608-A610 PolarHBondContact O-N 3.34Å; A610-V612 PolarHBondContact O-N 3.01Å; A610-H630 VanDerWaalsContact CB-CE1 3.43Å; A610-H630 WeakPolarHBondContact CB-CE1 3.06Å | ||
| 611 | S | 93.8 | Very high | 94.8 | Very high | 25 Ų | 25 | 19.2 Ų | 19.2 | 18% | 0.175 | 10% | 0.103 | C | C | . | . | trans | -48.6 | 130.5 | -179.6 | -179 | 0 | 0 | 0 | 0 | 113.4 | Q529 T545 T613 | Q529-S611 WeakPolarHBondContact CG-OG 3.46Å; T545-S611 WeakPolarHBondContact O-CA 3.46Å; T545-S611 WeakPolarHBondContact O-CB 3.38Å; T545-S611 PolarHBondContact O-N 3.22Å; S611-T613 PolarHBondContact O-N 2.73Å | ||
| 612 | V | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -79.5 | 109.9 | -176.9 | -174.6 | 0 | 0 | 0 | 0 | 110.4 | Q529 A543 G544 V549 A610 A614 V615 F626 G627 | Q529-V612 WeakPolarHBondContact CB-O 3.49Å; A543-V612 HydrophobicContact CB-CB 3.78Å; A543-V612 HydrophobicContact CB-CG1 3.71Å; A543-V612 HydrophobicContact CB-CG2 4.05Å; G544-V612 PolarHBondContact O-N 3.29Å; V549-V612 HydrophobicContact CG2-CG1 4.46Å; V549-V612 HydrophobicContact CG2-CG2 4Å; A610-V612 PolarHBondContact O-N 3.01Å; V612-A614 WeakPolarHBondContact CG1-O 3.19Å; V612-V615 HydrophobicContact CG1-CG2 3.7Å; V612-F626 HydrophobicContact CG1-CB 4.25Å; V612-G627 CarbonylContact C-O 3.57Å; V612-G627 WeakPolarHBondContact CA-O 3.48Å; V612-G627 WeakPolarHBondContact CG1-O 3.26Å | ||
| 613 | T | 96.3 | Very high | 94.9 | Very high | 37 Ų | 37 | 17.3 Ų | 17.3 | 23% | 0.227 | 10% | 0.095 | C | C | . | . | trans | -88 | -22.6 | -172.7 | 52.3 | 0 | 0 | 0 | 0 | 113.6 | K530 S611 G627 T628 V729 V730 | K530-T613 WeakPolarHBondContact CE-O 3Å; S611-T613 PolarHBondContact O-N 2.73Å; T613-G627 PolarHBondContact N-O 3.07Å; T613-G627 PolarHBondContact OG1-O 2.68Å; T613-G627 VanDerWaalsContact OG1-O 3.13Å; T613-T628 WeakPolarHBondContact OG1-CA 3.01Å; T613-T628 PolarHBondContact OG1-O 2.82Å; T613-V729 HydrophobicContact CG2-CG1 4.13Å; T613-V730 WeakPolarHBondContact CB-O 3.29Å; T613-V730 PolarHBondContact OG1-O 3.39Å | ||
| 614 | A | 96.8 | Very high | 94.9 | Very high | 4 Ų | 4 | 17.1 Ų | 17.1 | 3% | 0.033 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 147.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | V612 F626 G627 V730 L733 | V612-A614 WeakPolarHBondContact CG1-O 3.19Å; A614-F626 CarbonylContact O-C 3.58Å; A614-F626 WeakPolarHBondContact O-CA 3.38Å; A614-G627 PolarHBondContact N-O 3.01Å; A614-G627 PolarHBondContact O-N 2.87Å; A614-V730 HydrophobicContact CB-CG1 4.32Å; A614-L733 HydrophobicContact CB-CD1 3.92Å; A614-L733 HydrophobicContact CB-CG 3.98Å |
| 615 | V | 97.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 17.1 Ų | 17.1 | 15% | 0.152 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 142.7 | 173.6 | 172 | 0 | 0 | 0 | 0 | 109.1 | K530 V541 A543 V612 A625 F626 | K530-V615 HydrophobicContact CB-CB 4.02Å; K530-V615 HydrophobicContact CB-CG2 3.7Å; K530-V615 HydrophobicContact CG-CB 4.48Å; K530-V615 HydrophobicContact CG-CG2 4.13Å; V541-V615 HydrophobicContact CB-CG1 4.42Å; V541-V615 HydrophobicContact CG1-CG1 3.8Å; A543-V615 HydrophobicContact CB-CG2 3.65Å; V612-V615 HydrophobicContact CG1-CG2 3.7Å; V615-A625 CarbonylContact C-O 3.55Å; V615-A625 WeakPolarHBondContact CA-O 3.48Å; V615-F626 HydrophobicContact CG2-CB 4.46Å |
| 616 | A | 96.9 | Very high | 95 | Very high | 12 Ų | 12 | 16.8 Ų | 16.8 | 10% | 0.099 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 148.2 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | I624 A625 L733 F735 | A616-I624 WeakPolarHBondContact O-CA 3.22Å; A616-A625 PolarHBondContact N-O 3.39Å; A616-A625 PolarHBondContact O-N 3.22Å; A616-L733 HydrophobicContact CB-CB 3.93Å; A616-F735 HydrophobicContact CB-CD2 3.78Å; A616-F735 HydrophobicContact CB-CE2 3.89Å |
| 617 | L | 96.2 | Very high | 95.1 | Very high | 17 Ų | 17 | 16.8 Ų | 16.8 | 9% | 0.089 | 9% | 0.093 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 127.3 | -177.8 | 167.2 | 65.7 | 0 | 0 | 0 | 109.1 | C534 V541 T619 I624 Y637 | C534-L617 HydrophobicContact CB-CD2 4.3Å; V541-L617 HydrophobicContact CG2-CB 4.28Å; V541-L617 HydrophobicContact CG2-CD1 3.87Å; V541-L617 HydrophobicContact CG2-CD2 4.01Å; V541-L617 HydrophobicContact CG2-CG 4.26Å; L617-T619 HydrophobicContact CD1-CG2 3.79Å; L617-T619 HydrophobicContact CD2-CG2 3.84Å; L617-T619 HydrophobicContact CG-CG2 3.76Å; L617-I624 HydrophobicContact CB-CG2 4.4Å; L617-I624 HydrophobicContact CD1-CG2 3.55Å; L617-Y637 HydrophobicContact CD1-CE1 3.82Å |
| 618 | H | 95.4 | Very high | 95.2 | Very high | 18 Ų | 18 | 13.9 Ų | 13.9 | 8% | 0.083 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 94.4 | 171.8 | -152.7 | -79.7 | 0 | 0 | 0 | 110.8 | E620 W621 N622 L623 F735 | H618-E620 IonicContact CE1-OE2 3.15Å; H618-E620 PolarHBondContact CE1-OE2 3Å; H618-E620 PolarHBondContact O-N 2.79Å; H618-W621 HydrophobicContact CB-CB 4.48Å; H618-W621 HydrophobicContact CB-CD2 4.34Å; H618-W621 HydrophobicContact CB-CE3 3.96Å; H618-W621 AromaticContact CD2-CE3 3.99Å; H618-W621 AromaticContact CD2-CZ3 3.94Å; H618-W621 AromaticContact CE1-CD1 3.89Å; H618-W621 AromaticContact CE1-CD2 3.49Å; H618-W621 VanDerWaalsContact CE1-CD2 3.49Å; H618-W621 AromaticContact CE1-CE2 3.25Å; H618-W621 AromaticContact CE1-CE3 3.99Å; H618-W621 AromaticContact CE1-CG 3.88Å; H618-W621 AromaticContact CE1-CZ2 3.56Å; H618-W621 AromaticContact CE1-NE1 3.51Å; H618-W621 AromaticContact CG-CD2 3.64Å; H618-W621 AromaticContact CG-CE3 3.51Å; H618-W621 AromaticContact CG-CZ3 3.94Å; H618-W621 AromaticContact ND1-CD1 3.61Å; H618-W621 AromaticContact ND1-CD2 3.1Å; H618-W621 AromaticContact ND1-CE2 3.42Å; H618-W621 AromaticContact ND1-CE3 3.52Å; H618-W621 AromaticContact ND1-CG 3.24Å; H618-W621 AromaticContact ND1-NE1 3.69Å; H618-W621 AromaticContact NE2-CE2 3.92Å; H618-W621 AromaticContact NE2-CH2 3.9Å; H618-W621 AromaticContact NE2-CZ2 3.79Å; H618-W621 PolarHBondContact O-N 2.9Å; H618-N622 PolarHBondContact O-N 3.49Å; H618-N622 VanDerWaalsContact O-N 3.08Å; H618-L623 PolarHBondContact N-O 2.82Å; H618-L623 PolarHBondContact O-N 2.98Å; H618-L623 VanDerWaalsContact O-N 3.14Å; H618-F735 HydrophobicContact CB-CB 4.24Å; H618-F735 HydrophobicContact CB-CD1 4.37Å; H618-F735 HydrophobicContact CB-CD2 3.71Å; H618-F735 HydrophobicContact CB-CE2 4.03Å; H618-F735 HydrophobicContact CB-CG 3.88Å; H618-F735 HydrophobicContact CB-CZ 4.49Å |
| 619 | T | 92.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 9% | 0.085 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -30.2 | -169.3 | 45.4 | 0 | 0 | 0 | 0 | 114.4 | C534 S537 K539 L617 W621 N622 Y637 Y820 | C534-T619 HydrophobicContact CB-CG2 3.51Å; C534-T619 PolarHBondContact SG-OG1 3.37Å; S537-T619 WeakPolarHBondContact OG-CG2 3.42Å; K539-T619 HydrophobicContact CB-CG2 4.02Å; K539-T619 HydrophobicContact CD-CG2 4.27Å; L617-T619 HydrophobicContact CD1-CG2 3.79Å; L617-T619 HydrophobicContact CD2-CG2 3.84Å; L617-T619 HydrophobicContact CG-CG2 3.76Å; T619-W621 VanDerWaalsContact C-N 3.3Å; T619-W621 PolarHBondContact O-N 3.35Å; T619-N622 PolarHBondContact O-N 3.44Å; T619-N622 PolarHBondContact O-OD1 3.43Å; T619-Y637 PolarHBondContact O-OH 2.98Å; T619-Y820 WeakPolarHBondContact OG1-CD2 3.46Å; T619-Y820 VanDerWaalsContact OG1-CE2 3.28Å; T619-Y820 WeakPolarHBondContact OG1-CE2 3.23Å |
| 620 | E | 90.9 | Very high | 95 | Very high | 71 Ų | 71 | 14.6 Ų | 14.6 | 33% | 0.332 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -32.3 | 175.4 | -65.9 | 176.2 | 154.3 | 0 | 0 | 112.5 | H618 P819 Y820 | H618-E620 IonicContact CE1-OE2 3.15Å; H618-E620 PolarHBondContact CE1-OE2 3Å; H618-E620 PolarHBondContact O-N 2.79Å; E620-P819 HydrophobicContact CG-CB 4.47Å; E620-Y820 HydrophobicContact CG-CD1 3.78Å; E620-Y820 HydrophobicContact CG-CD2 3.9Å; E620-Y820 HydrophobicContact CG-CE1 3.65Å; E620-Y820 HydrophobicContact CG-CE2 3.77Å; E620-Y820 HydrophobicContact CG-CG 3.9Å; E620-Y820 WeakPolarHBondContact OE1-CA 3.31Å; E620-Y820 PolarHBondContact OE1-N 3.03Å |
| 621 | W | 92.8 | Very high | 95.1 | Very high | 18 Ų | 18 | 14.5 Ų | 14.5 | 7% | 0.068 | 8% | 0.082 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -5.4 | -179.2 | -54.4 | -17.4 | 0 | 0 | 0 | 111.9 | H618 T619 L623 F735 D737 P748 L764 V766 | H618-W621 HydrophobicContact CB-CB 4.48Å; H618-W621 HydrophobicContact CB-CD2 4.34Å; H618-W621 HydrophobicContact CB-CE3 3.96Å; H618-W621 AromaticContact CD2-CE3 3.99Å; H618-W621 AromaticContact CD2-CZ3 3.94Å; H618-W621 AromaticContact CE1-CD1 3.89Å; H618-W621 AromaticContact CE1-CD2 3.49Å; H618-W621 VanDerWaalsContact CE1-CD2 3.49Å; H618-W621 AromaticContact CE1-CE2 3.25Å; H618-W621 AromaticContact CE1-CE3 3.99Å; H618-W621 AromaticContact CE1-CG 3.88Å; H618-W621 AromaticContact CE1-CZ2 3.56Å; H618-W621 AromaticContact CE1-NE1 3.51Å; H618-W621 AromaticContact CG-CD2 3.64Å; H618-W621 AromaticContact CG-CE3 3.51Å; H618-W621 AromaticContact CG-CZ3 3.94Å; H618-W621 AromaticContact ND1-CD1 3.61Å; H618-W621 AromaticContact ND1-CD2 3.1Å; H618-W621 AromaticContact ND1-CE2 3.42Å; H618-W621 AromaticContact ND1-CE3 3.52Å; H618-W621 AromaticContact ND1-CG 3.24Å; H618-W621 AromaticContact ND1-NE1 3.69Å; H618-W621 AromaticContact NE2-CE2 3.92Å; H618-W621 AromaticContact NE2-CH2 3.9Å; H618-W621 AromaticContact NE2-CZ2 3.79Å; H618-W621 PolarHBondContact O-N 2.9Å; T619-W621 VanDerWaalsContact C-N 3.3Å; T619-W621 PolarHBondContact O-N 3.35Å; W621-L623 VanDerWaalsContact C-N 3.25Å; W621-L623 HydrophobicContact CB-CD1 4.03Å; W621-L623 HydrophobicContact CB-CG 4.05Å; W621-L623 HydrophobicContact CE3-CD1 4.38Å; W621-L623 PolarHBondContact O-N 2.95Å; W621-F735 HydrophobicContact CE3-CD1 4.13Å; W621-F735 HydrophobicContact CZ3-CB 3.97Å; W621-F735 AromaticContact CZ3-CD1 3.86Å; W621-F735 HydrophobicContact CZ3-CD1 3.86Å; W621-F735 HydrophobicContact CZ3-CG 4.26Å; W621-D737 HydrophobicContact CZ2-CB 4.31Å; W621-P748 HydrophobicContact CD2-CB 4.04Å; W621-P748 HydrophobicContact CD2-CG 4.28Å; W621-P748 HydrophobicContact CE3-CB 3.91Å; W621-P748 HydrophobicContact CH2-CB 3.6Å; W621-P748 HydrophobicContact CH2-CG 4.19Å; W621-P748 HydrophobicContact CZ2-CB 3.71Å; W621-P748 HydrophobicContact CZ2-CG 3.78Å; W621-P748 HydrophobicContact CZ3-CB 3.69Å; W621-L764 HydrophobicContact CE3-CD1 4.46Å; W621-L764 HydrophobicContact CZ3-CD1 4.45Å; W621-V766 HydrophobicContact CB-CG1 4.08Å; W621-V766 HydrophobicContact CB-CG2 4.44Å; W621-V766 HydrophobicContact CG-CG1 4.35Å; W621-V766 HydrophobicContact CG-CG2 4.44Å |
| 622 | N | 93.9 | Very high | 95.2 | Very high | 41 Ų | 41 | 13.3 Ų | 13.3 | 22% | 0.219 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 34.2 | -170.8 | -61.3 | -75.8 | 0 | 0 | 0 | 115.5 | K539 H618 T619 Y637 H638 | K539-N622 PolarHBondContact NZ-OD1 3.12Å; H618-N622 PolarHBondContact O-N 3.49Å; H618-N622 VanDerWaalsContact O-N 3.08Å; T619-N622 PolarHBondContact O-N 3.44Å; T619-N622 PolarHBondContact O-OD1 3.43Å; N622-Y637 VanDerWaalsContact C-CE1 3.46Å; N622-Y637 VanDerWaalsContact CA-CZ 3.42Å; N622-Y637 WeakPolarHBondContact CA-OH 3.47Å; N622-Y637 HydrophobicContact CB-CD2 4.26Å; N622-Y637 HydrophobicContact CB-CE1 4.32Å; N622-Y637 HydrophobicContact CB-CE2 3.6Å; N622-Y637 VanDerWaalsContact O-CD1 3.31Å; N622-Y637 WeakPolarHBondContact O-CD1 3.5Å; N622-Y637 PolarHBondContact O-N 2.86Å; N622-Y637 VanDerWaalsContact O-N 3.07Å; N622-Y637 WeakPolarHBondContact OD1-CE2 3.36Å; N622-Y637 VanDerWaalsContact OD1-CZ 3.25Å; N622-Y637 PolarHBondContact OD1-OH 2.93Å; N622-H638 HydrophobicContact CB-CB 3.64Å |
| 623 | L | 96.3 | Very high | 95.2 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 143.2 | -179.1 | -64.6 | 176.7 | 0 | 0 | 0 | 112.3 | H618 W621 L634 D636 V643 F735 L764 V766 V787 | H618-L623 PolarHBondContact N-O 2.82Å; H618-L623 PolarHBondContact O-N 2.98Å; H618-L623 VanDerWaalsContact O-N 3.14Å; W621-L623 VanDerWaalsContact C-N 3.25Å; W621-L623 HydrophobicContact CB-CD1 4.03Å; W621-L623 HydrophobicContact CB-CG 4.05Å; W621-L623 HydrophobicContact CE3-CD1 4.38Å; W621-L623 PolarHBondContact O-N 2.95Å; L623-L634 HydrophobicContact CB-CD1 3.98Å; L623-L634 HydrophobicContact CD1-CD1 4.21Å; L623-L634 HydrophobicContact CD2-CD1 4.25Å; L623-L634 HydrophobicContact CD2-CG 4.44Å; L623-L634 HydrophobicContact CG-CD1 4.38Å; L623-D636 HydrophobicContact CD2-CB 4.05Å; L623-V643 HydrophobicContact CD2-CG2 4.31Å; L623-F735 HydrophobicContact CB-CE1 4.18Å; L623-F735 HydrophobicContact CB-CZ 3.86Å; L623-F735 HydrophobicContact CD1-CE1 4.28Å; L623-L764 HydrophobicContact CD1-CD1 3.85Å; L623-V766 HydrophobicContact CD1-CG2 4.27Å; L623-V787 HydrophobicContact CD1-CG1 4.26Å; L623-V787 HydrophobicContact CD2-CG1 4.29Å; L623-V787 HydrophobicContact CD2-CG2 4.3Å |
| 624 | I | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.5 Ų | 11.5 | 0% | 0 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 140.5 | 161.1 | 49.7 | 162.1 | 0 | 0 | 0 | 110.3 | V541 V549 V551 V604 A616 L617 F626 L634 F635 Y637 | V541-I624 HydrophobicContact CG2-CG2 3.65Å; V549-I624 HydrophobicContact CG1-CD1 4.17Å; V551-I624 HydrophobicContact CG2-CD1 3.8Å; V551-I624 HydrophobicContact CG2-CG2 4.48Å; V604-I624 HydrophobicContact CG2-CD1 4.17Å; A616-I624 WeakPolarHBondContact O-CA 3.22Å; L617-I624 HydrophobicContact CB-CG2 4.4Å; L617-I624 HydrophobicContact CD1-CG2 3.55Å; I624-F626 HydrophobicContact CD1-CD1 4.39Å; I624-L634 WeakPolarHBondContact O-CA 3.18Å; I624-L634 WeakPolarHBondContact O-CD1 3.32Å; I624-F635 HydrophobicContact CD1-CB 4.49Å; I624-F635 HydrophobicContact CD1-CD1 4.19Å; I624-F635 HydrophobicContact CG1-CB 4.11Å; I624-F635 HydrophobicContact CG1-CD1 4.2Å; I624-F635 PolarHBondContact N-O 2.81Å; I624-F635 PolarHBondContact O-N 2.7Å; I624-Y637 HydrophobicContact CG1-CD1 4.47Å; I624-Y637 HydrophobicContact CG2-CD1 3.95Å; I624-Y637 HydrophobicContact CG2-CE1 4.33Å |
| 625 | A | 98.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 139.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | V615 A616 G633 L634 L733 F735 L750 | V615-A625 CarbonylContact C-O 3.55Å; V615-A625 WeakPolarHBondContact CA-O 3.48Å; A616-A625 PolarHBondContact N-O 3.39Å; A616-A625 PolarHBondContact O-N 3.22Å; A625-G633 VanDerWaalsContact CA-O 3.28Å; A625-G633 WeakPolarHBondContact CA-O 3.42Å; A625-L634 HydrophobicContact CB-CD1 4.24Å; A625-L733 HydrophobicContact CB-CD1 4.07Å; A625-F735 HydrophobicContact CB-CE2 3.98Å; A625-F735 HydrophobicContact CB-CZ 3.76Å; A625-L750 HydrophobicContact CB-CD1 3.67Å; A625-L750 HydrophobicContact CB-CD2 4.07Å |
| 626 | F | 98.2 | Very high | 95.2 | Very high | 1 Ų | 1 | 10.6 Ų | 10.6 | 0% | 0.004 | 6% | 0.056 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 147.2 | -179.6 | 52.1 | -92.2 | 0 | 0 | 0 | 110.4 | V549 V568 V604 C606 V612 A614 V615 I624 F632 G633 F635 L733 | V549-F626 HydrophobicContact CG2-CB 4.07Å; V549-F626 HydrophobicContact CG2-CG 4.13Å; V568-F626 HydrophobicContact CB-CE2 4.33Å; V568-F626 HydrophobicContact CB-CZ 3.94Å; V568-F626 HydrophobicContact CG1-CE2 4.18Å; V568-F626 HydrophobicContact CG1-CZ 3.91Å; V568-F626 HydrophobicContact CG2-CZ 4.01Å; V604-F626 HydrophobicContact CG1-CE1 3.85Å; V604-F626 HydrophobicContact CG1-CZ 3.72Å; C606-F626 VanDerWaalsContact SG-CD2 3.54Å; C606-F626 VanDerWaalsContact SG-CE2 3.55Å; V612-F626 HydrophobicContact CG1-CB 4.25Å; A614-F626 CarbonylContact O-C 3.58Å; A614-F626 WeakPolarHBondContact O-CA 3.38Å; V615-F626 HydrophobicContact CG2-CB 4.46Å; I624-F626 HydrophobicContact CD1-CD1 4.39Å; F626-F632 CarbonylContact O-C 2.91Å; F626-F632 WeakPolarHBondContact O-CA 3.42Å; F626-F632 VanDerWaalsContact O-CB 3.24Å; F626-F632 WeakPolarHBondContact O-CB 3.03Å; F626-G633 PolarHBondContact N-O 2.92Å; F626-G633 VanDerWaalsContact N-O 3.1Å; F626-G633 PolarHBondContact O-N 2.92Å; F626-F635 HydrophobicContact CE1-CB 4.02Å; F626-L733 VanDerWaalsContact C-CD1 3.5Å |
| 627 | G | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.053 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 149.1 | -177 | 0 | 0 | 0 | 0 | 0 | 112.1 | V612 T613 A614 G631 | V612-G627 CarbonylContact C-O 3.57Å; V612-G627 WeakPolarHBondContact CA-O 3.48Å; V612-G627 WeakPolarHBondContact CG1-O 3.26Å; T613-G627 PolarHBondContact N-O 3.07Å; T613-G627 PolarHBondContact OG1-O 2.68Å; T613-G627 VanDerWaalsContact OG1-O 3.13Å; A614-G627 PolarHBondContact N-O 3.01Å; A614-G627 PolarHBondContact O-N 2.87Å; G627-G631 WeakPolarHBondContact CA-O 3.32Å |
| 628 | T | 95.5 | Very high | 94.8 | Very high | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -127.3 | -167.7 | 176.8 | 70.8 | 0 | 0 | 0 | 0 | 110.2 | L570 C606 T613 H630 G631 V730 | L570-T628 HydrophobicContact CD1-CG2 3.88Å; L570-T628 WeakPolarHBondContact CD1-OG1 3.39Å; C606-T628 HydrophobicContact CB-CG2 4.4Å; T613-T628 WeakPolarHBondContact OG1-CA 3.01Å; T613-T628 PolarHBondContact OG1-O 2.82Å; T628-H630 PolarHBondContact O-N 3.45Å; T628-H630 PolarHBondContact OG1-N 2.99Å; T628-H630 VanDerWaalsContact OG1-N 3.09Å; T628-G631 PolarHBondContact N-O 3.49Å; T628-V730 PolarHBondContact O-N 2.91Å | ||
| 629 | S | 91.1 | Very high | 94.5 | Very high | 32 Ų | 32 | 20.3 Ų | 20.3 | 22% | 0.224 | 9% | 0.094 | C | C | . | . | S | Bend | trans | -66.3 | -18.6 | 167.4 | 46 | 0 | 0 | 0 | 0 | 115 | ||
| 630 | H | 90.1 | Very high | 94.5 | Very high | 1 Ų | 1 | 26.3 Ų | 26.3 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -104 | -24.7 | -170.1 | -54.6 | 81.3 | 0 | 0 | 0 | 114.2 | L571 F577 W579 A610 T628 T648 L649 | L571-H630 HydrophobicContact CD2-CB 4.29Å; F577-H630 AromaticContact CZ-CD2 3.69Å; F577-H630 AromaticContact CZ-NE2 3.48Å; F577-H630 WeakPolarHBondContact CZ-NE2 3.39Å; W579-H630 AromaticContact CZ3-CE1 3.66Å; W579-H630 AromaticContact CZ3-NE2 3.92Å; A610-H630 VanDerWaalsContact CB-CE1 3.43Å; A610-H630 WeakPolarHBondContact CB-CE1 3.06Å; T628-H630 PolarHBondContact O-N 3.45Å; T628-H630 PolarHBondContact OG1-N 2.99Å; T628-H630 VanDerWaalsContact OG1-N 3.09Å; H630-T648 PolarHBondContact O-N 3.5Å; H630-T648 PolarHBondContact O-OG1 3.22Å; H630-L649 HydrophobicContact CB-CD1 4.46Å |
| 631 | G | 93.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 171.4 | -174.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113 | G627 T628 R646 T648 V730 | G627-G631 WeakPolarHBondContact CA-O 3.32Å; T628-G631 PolarHBondContact N-O 3.49Å; G631-R646 CarbonylContact C-O 3.24Å; G631-R646 WeakPolarHBondContact CA-O 3.24Å; G631-T648 VanDerWaalsContact CA-OG1 3.3Å; G631-T648 WeakPolarHBondContact CA-OG1 3.17Å; G631-T648 PolarHBondContact N-OG1 3.31Å; G631-V730 WeakPolarHBondContact O-CG2 3.47Å |
| 632 | F | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 154.9 | 170.9 | 60 | -81.6 | 0 | 0 | 0 | 112 | F626 L644 R646 T648 V730 L733 L750 A752 Y760 Y762 | F626-F632 CarbonylContact O-C 2.91Å; F626-F632 WeakPolarHBondContact O-CA 3.42Å; F626-F632 VanDerWaalsContact O-CB 3.24Å; F626-F632 WeakPolarHBondContact O-CB 3.03Å; F632-L644 HydrophobicContact CE2-CD2 3.87Å; F632-R646 HydrophobicContact CD1-CB 4.39Å; F632-R646 HydrophobicContact CE1-CB 4.04Å; F632-R646 HydrophobicContact CE1-CG 3.86Å; F632-R646 HydrophobicContact CE2-CB 4.21Å; F632-R646 HydrophobicContact CZ-CB 3.93Å; F632-R646 HydrophobicContact CZ-CG 3.86Å; F632-R646 PolarHBondContact N-O 3.3Å; F632-R646 PolarHBondContact O-N 2.73Å; F632-T648 HydrophobicContact CD1-CG2 3.86Å; F632-T648 HydrophobicContact CE1-CG2 3.71Å; F632-V730 HydrophobicContact CB-CG1 4.41Å; F632-V730 HydrophobicContact CB-CG2 4.12Å; F632-V730 HydrophobicContact CD1-CG2 3.9Å; F632-V730 HydrophobicContact CG-CG2 4.48Å; F632-L733 HydrophobicContact CB-CD2 4.35Å; F632-L733 HydrophobicContact CD2-CD2 4.41Å; F632-L733 HydrophobicContact CG-CD2 4.44Å; F632-L750 HydrophobicContact CE2-CD2 4.49Å; F632-A752 HydrophobicContact CD1-CB 4.07Å; F632-A752 HydrophobicContact CD2-CB 4.16Å; F632-A752 HydrophobicContact CE1-CB 3.83Å; F632-A752 HydrophobicContact CE2-CB 3.93Å; F632-A752 HydrophobicContact CG-CB 4.23Å; F632-A752 HydrophobicContact CZ-CB 3.75Å; F632-Y760 HydrophobicContact CE1-CD2 4.12Å; F632-Y760 HydrophobicContact CE1-CG 4.49Å; F632-Y760 HydrophobicContact CZ-CD2 4.44Å; F632-Y760 HydrophobicContact CZ-CG 4.37Å; F632-Y762 HydrophobicContact CE2-CE2 4.08Å; F632-Y762 AromaticContact CZ-CE2 3.86Å; F632-Y762 HydrophobicContact CZ-CE2 3.86Å |
| 633 | G | 96.5 | Very high | 94.7 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 158.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | A625 F626 L644 | A625-G633 VanDerWaalsContact CA-O 3.28Å; A625-G633 WeakPolarHBondContact CA-O 3.42Å; F626-G633 PolarHBondContact N-O 2.92Å; F626-G633 VanDerWaalsContact N-O 3.1Å; F626-G633 PolarHBondContact O-N 2.92Å; G633-L644 CarbonylContact C-O 3.51Å; G633-L644 WeakPolarHBondContact CA-O 3.35Å |
| 634 | L | 97.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 130.1 | 167.3 | -179.5 | 61.5 | 0 | 0 | 0 | 107.9 | L623 I624 A625 V643 L644 F735 L750 L764 A789 | L623-L634 HydrophobicContact CB-CD1 3.98Å; L623-L634 HydrophobicContact CD1-CD1 4.21Å; L623-L634 HydrophobicContact CD2-CD1 4.25Å; L623-L634 HydrophobicContact CD2-CG 4.44Å; L623-L634 HydrophobicContact CG-CD1 4.38Å; I624-L634 WeakPolarHBondContact O-CA 3.18Å; I624-L634 WeakPolarHBondContact O-CD1 3.32Å; A625-L634 HydrophobicContact CB-CD1 4.24Å; L634-V643 HydrophobicContact CB-CB 4.29Å; L634-V643 HydrophobicContact CD2-CB 4.12Å; L634-V643 HydrophobicContact CD2-CG1 3.77Å; L634-V643 HydrophobicContact CG-CB 3.98Å; L634-V643 HydrophobicContact CG-CG1 4.2Å; L634-V643 PolarHBondContact O-N 3.01Å; L634-L644 HydrophobicContact CB-CB 3.88Å; L634-L644 PolarHBondContact N-O 3.01Å; L634-L644 PolarHBondContact O-N 2.82Å; L634-L644 VanDerWaalsContact O-N 3.11Å; L634-F735 HydrophobicContact CD1-CE1 3.71Å; L634-F735 HydrophobicContact CD1-CZ 3.55Å; L634-L750 HydrophobicContact CB-CD2 4.24Å; L634-L750 HydrophobicContact CD1-CD2 4.26Å; L634-L750 HydrophobicContact CD2-CD2 4.28Å; L634-L764 HydrophobicContact CD2-CD1 4.19Å; L634-L764 HydrophobicContact CD2-CD2 3.55Å; L634-L764 HydrophobicContact CD2-CG 4.5Å; L634-A789 HydrophobicContact CD2-CB 4.15Å |
| 635 | F | 97.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 0% | 0.004 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 131.5 | -174.3 | -178.1 | -91.1 | 0 | 0 | 0 | 110.6 | S566 V568 V602 V604 I624 F626 R640 N641 | S566-F635 WeakPolarHBondContact OG-CZ 3.12Å; V568-F635 HydrophobicContact CG2-CD2 4.29Å; V602-F635 HydrophobicContact CG1-CE1 3.92Å; V602-F635 HydrophobicContact CG1-CZ 4.14Å; V604-F635 HydrophobicContact CG2-CD1 3.6Å; V604-F635 HydrophobicContact CG2-CD2 4.2Å; V604-F635 HydrophobicContact CG2-CE1 3.54Å; V604-F635 HydrophobicContact CG2-CE2 4.18Å; V604-F635 HydrophobicContact CG2-CG 3.94Å; V604-F635 HydrophobicContact CG2-CZ 3.85Å; I624-F635 HydrophobicContact CD1-CB 4.49Å; I624-F635 HydrophobicContact CD1-CD1 4.19Å; I624-F635 HydrophobicContact CG1-CB 4.11Å; I624-F635 HydrophobicContact CG1-CD1 4.2Å; I624-F635 PolarHBondContact N-O 2.81Å; I624-F635 PolarHBondContact O-N 2.7Å; F626-F635 HydrophobicContact CE1-CB 4.02Å; F635-R640 VanDerWaalsContact CZ-C 3.49Å; F635-R640 HydrophobicContact CZ-CB 4.45Å; F635-N641 VanDerWaalsContact CD2-C 3.47Å; F635-N641 VanDerWaalsContact CD2-O 3.31Å; F635-N641 WeakPolarHBondContact CD2-O 3.47Å |
| 636 | D | 95.6 | Very high | 94.3 | Very high | 8 Ų | 8 | 33.9 Ų | 33.9 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 106.4 | 171.4 | 176.4 | -16 | 0 | 0 | 0 | 107.9 | L623 H638 R639 R640 N641 V643 | L623-D636 HydrophobicContact CD2-CB 4.05Å; D636-H638 VanDerWaalsContact C-N 3.26Å; D636-H638 PolarHBondContact O-N 2.82Å; D636-H638 WeakPolarHBondContact OD1-CA 3.18Å; D636-H638 WeakPolarHBondContact OD1-CB 3.27Å; D636-H638 PolarHBondContact OD1-N 2.72Å; D636-R639 PolarHBondContact OD1-N 2.95Å; D636-R639 WeakPolarHBondContact OD2-CB 3.38Å; D636-R639 WeakPolarHBondContact OD2-CD 3.47Å; D636-R639 WeakPolarHBondContact OD2-CG 3.48Å; D636-R640 CarbonylContact O-C 3.59Å; D636-R640 WeakPolarHBondContact O-CA 3.24Å; D636-R640 PolarHBondContact O-N 2.89Å; D636-N641 PolarHBondContact N-O 3.38Å; D636-N641 PolarHBondContact O-N 2.9Å; D636-V643 HydrophobicContact CB-CG2 4.05Å |
| 637 | Y | 93.6 | Very high | 94 | Very high | 10 Ų | 10 | 34.7 Ų | 34.7 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.9 | -11.5 | -178.6 | 66.7 | -115.4 | 0 | 0 | 0 | 113.1 | K539 V551 L617 T619 N622 I624 | K539-Y637 HydrophobicContact CD-CE2 4.27Å; K539-Y637 VanDerWaalsContact NZ-CE2 3.26Å; K539-Y637 PolarHBondContact NZ-OH 2.76Å; V551-Y637 HydrophobicContact CG1-CD1 4.3Å; V551-Y637 HydrophobicContact CG1-CG 4.2Å; V551-Y637 HydrophobicContact CG2-CD1 4.43Å; V551-Y637 HydrophobicContact CG2-CG 4.42Å; L617-Y637 HydrophobicContact CD1-CE1 3.82Å; T619-Y637 PolarHBondContact O-OH 2.98Å; N622-Y637 VanDerWaalsContact C-CE1 3.46Å; N622-Y637 VanDerWaalsContact CA-CZ 3.42Å; N622-Y637 WeakPolarHBondContact CA-OH 3.47Å; N622-Y637 HydrophobicContact CB-CD2 4.26Å; N622-Y637 HydrophobicContact CB-CE1 4.32Å; N622-Y637 HydrophobicContact CB-CE2 3.6Å; N622-Y637 VanDerWaalsContact O-CD1 3.31Å; N622-Y637 WeakPolarHBondContact O-CD1 3.5Å; N622-Y637 PolarHBondContact O-N 2.86Å; N622-Y637 VanDerWaalsContact O-N 3.07Å; N622-Y637 WeakPolarHBondContact OD1-CE2 3.36Å; N622-Y637 VanDerWaalsContact OD1-CZ 3.25Å; N622-Y637 PolarHBondContact OD1-OH 2.93Å; I624-Y637 HydrophobicContact CG1-CD1 4.47Å; I624-Y637 HydrophobicContact CG2-CD1 3.95Å; I624-Y637 HydrophobicContact CG2-CE1 4.33Å |
| 638 | H | 90.4 | Very high | 93.7 | Very high | 136 Ų | 136 | 35.6 Ų | 35.6 | 63% | 0.63 | 17% | 0.172 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -46.6 | 179.4 | 176.8 | 55.4 | 0 | 0 | 0 | 111.2 | N622 D636 R640 | N622-H638 HydrophobicContact CB-CB 3.64Å; D636-H638 VanDerWaalsContact C-N 3.26Å; D636-H638 PolarHBondContact O-N 2.82Å; D636-H638 WeakPolarHBondContact OD1-CA 3.18Å; D636-H638 WeakPolarHBondContact OD1-CB 3.27Å; D636-H638 PolarHBondContact OD1-N 2.72Å; H638-R640 VanDerWaalsContact C-N 3.31Å |
| 639 | R | 89.3 | Confident | 93.2 | Very high | 105 Ų | 105 | 36.2 Ų | 36.2 | 40% | 0.396 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -9.1 | 169.4 | -63.6 | -175.1 | 177.4 | -101.5 | 3.3 | 113.4 | D636 G783 T785 | D636-R639 PolarHBondContact OD1-N 2.95Å; D636-R639 WeakPolarHBondContact OD2-CB 3.38Å; D636-R639 WeakPolarHBondContact OD2-CD 3.47Å; D636-R639 WeakPolarHBondContact OD2-CG 3.48Å; R639-G783 PolarHBondContact NH1-O 2.9Å; R639-G783 VanDerWaalsContact NH1-O 3.12Å; R639-T785 PolarHBondContact NE-O 3.19Å; R639-T785 PolarHBondContact NH2-O 3.23Å |
| 640 | R | 91.6 | Very high | 92.6 | Very high | 129 Ų | 129 | 38 Ų | 38 | 49% | 0.487 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | 43.4 | -179.7 | -53.7 | 165.7 | 175.7 | -171.9 | -10.9 | 112.4 | D564 V602 F635 D636 H638 | D564-R640 IonicContact OD1-CZ 3.37Å; D564-R640 IonicContact OD1-NH1 2.69Å; D564-R640 PolarHBondContact OD1-NH1 2.91Å; D564-R640 IonicContact OD1-NH2 3.76Å; D564-R640 IonicContact OD2-CZ 2.88Å; D564-R640 IonicContact OD2-NE 3.35Å; D564-R640 IonicContact OD2-NH1 2.82Å; D564-R640 PolarHBondContact OD2-NH1 2.83Å; D564-R640 VanDerWaalsContact OD2-NH1 3.15Å; D564-R640 IonicContact OD2-NH2 3.24Å; D564-R640 PolarHBondContact OD2-NH2 2.82Å; V602-R640 HydrophobicContact CG2-CG 4.37Å; F635-R640 VanDerWaalsContact CZ-C 3.49Å; F635-R640 HydrophobicContact CZ-CB 4.45Å; D636-R640 CarbonylContact O-C 3.59Å; D636-R640 WeakPolarHBondContact O-CA 3.24Å; D636-R640 PolarHBondContact O-N 2.89Å; H638-R640 VanDerWaalsContact C-N 3.31Å |
| 641 | N | 92.6 | Very high | 91.5 | Very high | 75 Ų | 75 | 42.6 Ų | 42.6 | 40% | 0.401 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 145.4 | -172.9 | -170.7 | 31 | 0 | 0 | 0 | 112.9 | F635 D636 | F635-N641 VanDerWaalsContact CD2-C 3.47Å; F635-N641 VanDerWaalsContact CD2-O 3.31Å; F635-N641 WeakPolarHBondContact CD2-O 3.47Å; D636-N641 PolarHBondContact N-O 3.38Å; D636-N641 PolarHBondContact O-N 2.9Å |
| 642 | T | 94.4 | Very high | 90.3 | Very high | 47 Ų | 47 | 48.4 Ų | 48.4 | 29% | 0.288 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 121.3 | 173.8 | -50.3 | 0 | 0 | 0 | 0 | 109.7 | V568 | V568-T642 HydrophobicContact CG1-CG2 3.99Å; V568-T642 HydrophobicContact CG2-CG2 4Å; V568-T642 WeakPolarHBondContact CG2-OG1 3.3Å |
| 643 | V | 95 | Very high | 88.8 | Confident | 27 Ų | 27 | 49.9 Ų | 49.9 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | -34.9 | 179.6 | 178.3 | 0 | 0 | 0 | 0 | 111 | L623 L634 D636 V787 A789 | L623-V643 HydrophobicContact CD2-CG2 4.31Å; L634-V643 HydrophobicContact CB-CB 4.29Å; L634-V643 HydrophobicContact CD2-CB 4.12Å; L634-V643 HydrophobicContact CD2-CG1 3.77Å; L634-V643 HydrophobicContact CG-CB 3.98Å; L634-V643 HydrophobicContact CG-CG1 4.2Å; L634-V643 PolarHBondContact O-N 3.01Å; D636-V643 HydrophobicContact CB-CG2 4.05Å; V643-V787 HydrophobicContact CG1-CB 4.34Å; V643-V787 HydrophobicContact CG1-CG1 4.06Å; V643-V787 WeakPolarHBondContact CG1-O 3.44Å; V643-V787 HydrophobicContact CG2-CB 4.05Å; V643-V787 HydrophobicContact CG2-CG1 4.43Å; V643-A789 HydrophobicContact CG1-CB 3.84Å |
| 644 | L | 95.1 | Very high | 87 | Confident | 28 Ų | 28 | 53.6 Ų | 53.6 | 15% | 0.147 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 140.1 | 176.8 | -179.2 | 67.2 | 0 | 0 | 0 | 109.7 | F632 G633 L634 R646 Y762 A789 | F632-L644 HydrophobicContact CE2-CD2 3.87Å; G633-L644 CarbonylContact C-O 3.51Å; G633-L644 WeakPolarHBondContact CA-O 3.35Å; L634-L644 HydrophobicContact CB-CB 3.88Å; L634-L644 PolarHBondContact N-O 3.01Å; L634-L644 PolarHBondContact O-N 2.82Å; L634-L644 VanDerWaalsContact O-N 3.11Å; L644-R646 HydrophobicContact CD1-CB 4.49Å; L644-R646 HydrophobicContact CD2-CB 4.41Å; L644-R646 HydrophobicContact CG-CB 4.32Å; L644-Y762 HydrophobicContact CD1-CE1 3.99Å; L644-Y762 HydrophobicContact CD2-CD1 3.94Å; L644-Y762 HydrophobicContact CD2-CD2 4.33Å; L644-Y762 HydrophobicContact CD2-CE1 3.57Å; L644-Y762 HydrophobicContact CD2-CE2 4.01Å; L644-Y762 HydrophobicContact CD2-CG 4.32Å; L644-Y762 HydrophobicContact CG-CE1 4.45Å; L644-A789 HydrophobicContact CB-CB 4.48Å |
| 645 | A | 94.9 | Very high | 85 | Confident | 27 Ų | 27 | 58.1 Ų | 58.1 | 22% | 0.223 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 134.8 | 155.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | V568 D569 L570 | V568-A645 HydrophobicContact CG1-CB 4.07Å; D569-A645 VanDerWaalsContact O-CB 3.31Å; D569-A645 WeakPolarHBondContact O-CB 3.02Å; L570-A645 HydrophobicContact CD2-CB 4.43Å |
| 646 | R | 93.4 | Very high | 82.8 | Confident | 85 Ų | 85 | 58.8 Ų | 58.8 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 110.4 | -175.5 | -175.8 | 59.5 | 174 | -172 | -0.5 | 111.5 | G631 F632 L644 | G631-R646 CarbonylContact C-O 3.24Å; G631-R646 WeakPolarHBondContact CA-O 3.24Å; F632-R646 HydrophobicContact CD1-CB 4.39Å; F632-R646 HydrophobicContact CE1-CB 4.04Å; F632-R646 HydrophobicContact CE1-CG 3.86Å; F632-R646 HydrophobicContact CE2-CB 4.21Å; F632-R646 HydrophobicContact CZ-CB 3.93Å; F632-R646 HydrophobicContact CZ-CG 3.86Å; F632-R646 PolarHBondContact N-O 3.3Å; F632-R646 PolarHBondContact O-N 2.73Å; L644-R646 HydrophobicContact CD1-CB 4.49Å; L644-R646 HydrophobicContact CD2-CB 4.41Å; L644-R646 HydrophobicContact CG-CB 4.32Å |
| 647 | C | 92.5 | Very high | 80.4 | Confident | 18 Ų | 18 | 65.1 Ų | 65.1 | 12% | 0.122 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 140.8 | 167.5 | -173 | 0 | 0 | 0 | 0 | 111 | L570 L571 R574 | L570-C647 WeakPolarHBondContact O-CA 3.3Å; L570-C647 WeakPolarHBondContact O-CB 3.48Å; L570-C647 PolarHBondContact O-N 2.88Å; L571-C647 HydrophobicContact CD2-CB 4.35Å; L571-C647 VanDerWaalsContact CD2-SG 3.58Å; R574-C647 PolarHBondContact NE-SG 2.79Å; R574-C647 VanDerWaalsContact NE-SG 3.4Å |
| 648 | T | 90.9 | Very high | 78.1 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | trans | -126.3 | -0.1 | 178.3 | 47.9 | 0 | 0 | 0 | 0 | 114.1 | H630 G631 F632 G728 V730 T754 Y760 | H630-T648 PolarHBondContact O-N 3.5Å; H630-T648 PolarHBondContact O-OG1 3.22Å; G631-T648 VanDerWaalsContact CA-OG1 3.3Å; G631-T648 WeakPolarHBondContact CA-OG1 3.17Å; G631-T648 PolarHBondContact N-OG1 3.31Å; F632-T648 HydrophobicContact CD1-CG2 3.86Å; F632-T648 HydrophobicContact CE1-CG2 3.71Å; T648-G728 WeakPolarHBondContact CB-O 3.42Å; T648-G728 WeakPolarHBondContact O-CA 3.48Å; T648-G728 PolarHBondContact OG1-O 2.71Å; T648-V730 HydrophobicContact CG2-CG2 4.47Å; T648-T754 HydrophobicContact CG2-CG2 4.27Å; T648-Y760 HydrophobicContact CG2-CE2 4.18Å | ||
| 649 | L | 85.4 | Confident | 75.7 | Confident | 13 Ų | 13 | 64.9 Ų | 64.9 | 7% | 0.068 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -62.1 | 157.9 | 173.5 | -65.1 | 177.5 | 0 | 0 | 0 | 112.4 | L571 R574 F577 H630 D653 | L571-L649 HydrophobicContact CD2-CD1 4.14Å; R574-L649 PolarHBondContact NH2-O 3.04Å; F577-L649 HydrophobicContact CE2-CD1 4.41Å; H630-L649 HydrophobicContact CB-CD1 4.46Å; L649-D653 HydrophobicContact CB-CB 4.28Å |
| 650 | H | 77.1 | Confident | 73.2 | Confident | 69 Ų | 69 | 63.3 Ų | 63.3 | 32% | 0.319 | 35% | 0.353 | S | S | . | . | trans | -72.2 | 148 | 168 | -169.6 | -114.3 | 0 | 0 | 0 | 110.3 | R574 N652 D653 | R574-H650 PolarHBondContact NH1-O 3.18Å; R574-H650 PolarHBondContact NH2-O 2.79Å; H650-N652 PolarHBondContact O-N 2.82Å; H650-N652 VanDerWaalsContact O-N 3.12Å; H650-D653 WeakPolarHBondContact CA-OD2 3.37Å; H650-D653 VanDerWaalsContact CB-OD2 3.23Å; H650-D653 WeakPolarHBondContact CB-OD2 3.34Å; H650-D653 PolarHBondContact N-OD2 2.82Å; H650-D653 WeakPolarHBondContact O-CB 3.45Å; H650-D653 PolarHBondContact O-N 2.94Å | ||
| 651 | P | 68.6 | Low | 70.7 | Confident | 99 Ų | 99 | 62.8 Ų | 62.8 | 64% | 0.643 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -23.9 | -177.7 | -28.8 | 38 | 0 | 0 | 0 | 115.1 | D653 | P651-D653 VanDerWaalsContact C-N 3.34Š|
| 652 | N | 67.1 | Low | 68 | Low | 122 Ų | 122 | 63 Ų | 63 | 65% | 0.652 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -11.3 | 177.2 | -60.2 | -11.3 | 0 | 0 | 0 | 113.3 | H650 S654 | H650-N652 PolarHBondContact O-N 2.82Å; H650-N652 VanDerWaalsContact O-N 3.12Å; N652-S654 VanDerWaalsContact C-N 3.32Å; N652-S654 PolarHBondContact O-N 3.34Å |
| 653 | D | 66.6 | Low | 65.2 | Low | 31 Ų | 31 | 72.3 Ų | 72.3 | 17% | 0.166 | 40% | 0.396 | C | S | . | . | trans | -78.3 | 78 | -176.1 | -60.8 | -21.5 | 0 | 0 | 0 | 111 | L649 H650 P651 L655 | L649-D653 HydrophobicContact CB-CB 4.28Å; H650-D653 WeakPolarHBondContact CA-OD2 3.37Å; H650-D653 VanDerWaalsContact CB-OD2 3.23Å; H650-D653 WeakPolarHBondContact CB-OD2 3.34Å; H650-D653 PolarHBondContact N-OD2 2.82Å; H650-D653 WeakPolarHBondContact O-CB 3.45Å; H650-D653 PolarHBondContact O-N 2.94Å; P651-D653 VanDerWaalsContact C-N 3.34Å; D653-L655 VanDerWaalsContact C-N 3.27Å | ||
| 654 | S | 59.1 | Low | 62.3 | Low | 77 Ų | 77 | 74.1 Ų | 74.1 | 54% | 0.538 | 41% | 0.407 | S | S | . | . | trans | -77.7 | -10.2 | 173.8 | 52.3 | 0 | 0 | 0 | 0 | 113.8 | N652 | N652-S654 VanDerWaalsContact C-N 3.32Å; N652-S654 PolarHBondContact O-N 3.34Å | ||
| 655 | L | 54.5 | Low | 59.6 | Low | 95 Ų | 95 | 80.7 Ų | 80.7 | 50% | 0.497 | 43% | 0.434 | S | S | . | . | trans | -140.6 | 95.1 | -176.9 | -66.2 | 175.4 | 0 | 0 | 0 | 110.9 | K580 D653 | K580-L655 HydrophobicContact CD-CD2 4.19Å; D653-L655 VanDerWaalsContact C-N 3.27Å | ||
| 656 | A | 51.2 | Low | 57 | Low | 16 Ų | 16 | 82.4 Ų | 82.4 | 13% | 0.132 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 126.2 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | F577 | F577-A656 HydrophobicContact CE2-CB 4.1Å; F577-A656 HydrophobicContact CZ-CB 4.13Å |
| 657 | M | 46.3 | Very low | 54.3 | Low | 141 Ų | 141 | 84.8 Ų | 84.8 | 70% | 0.695 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -82.6 | 132.1 | 173 | -75.8 | -94 | 67.4 | 0 | 0 | 110.4 | ||
| 658 | E | 43.7 | Very low | 52.1 | Low | 86 Ų | 86 | 90.4 Ų | 90.4 | 40% | 0.402 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 134.8 | 171.7 | -174.6 | 176.1 | -150 | 0 | 0 | 111.1 | G581 H582 | G581-E658 WeakPolarHBondContact CA-OE2 3.43Å; H582-E658 IonicContact CD2-OE1 2.73Å |
| 659 | G | 39.8 | Very low | 50 | Low | 54 Ų | 54 | 93.9 Ų | 93.9 | 56% | 0.557 | 50% | 0.499 | S | S | * | . | trans | 177.4 | 119.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 660 | P | 37 | Very low | 47.7 | Very low | 73 Ų | 73 | 97.4 Ų | 97.4 | 47% | 0.474 | 52% | 0.524 | S | S | . | . | trans | -62.8 | 138.3 | 164.9 | 28 | -33.4 | 0 | 0 | 0 | 109 | S662 | P660-S662 PolarHBondContact O-N 3.11Š| ||
| 661 | L | 39.3 | Very low | 45.9 | Very low | 118 Ų | 118 | 99.7 Ų | 99.7 | 62% | 0.618 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -60.5 | -17.6 | 179.1 | -75.2 | 164.4 | 0 | 0 | 0 | 112.8 | R663 L726 | L661-R663 PolarHBondContact O-N 2.93Å; L661-L726 HydrophobicContact CD2-CD1 4.49Å |
| 662 | S | 36.6 | Very low | 45 | Very low | 78 Ų | 78 | 104.9 Ų | 104.9 | 55% | 0.545 | 55% | 0.545 | S | S | . | . | trans | -84.6 | 66.5 | 167.8 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | P660 V664 | P660-S662 PolarHBondContact O-N 3.11Å; S662-V664 PolarHBondContact O-N 3.44Å | ||
| 663 | R | 35.5 | Very low | 43.6 | Very low | 244 Ų | 244 | 106 Ų | 106 | 92% | 0.921 | 55% | 0.546 | S | S | * | . | trans | -74.1 | 39.8 | 171.9 | -147.6 | -175.4 | -154.4 | -163.9 | 9.2 | 113 | L661 | L661-R663 PolarHBondContact O-N 2.93Š| ||
| 664 | V | 33.8 | Very low | 42.2 | Very low | 64 Ų | 64 | 106.9 Ų | 106.9 | 39% | 0.388 | 56% | 0.555 | S | S | . | * | trans | -116.5 | 113 | -172.6 | 179.4 | 0 | 0 | 0 | 0 | 109.5 | S662 I922 | S662-V664 PolarHBondContact O-N 3.44Å; V664-I922 HydrophobicContact CG2-CG2 4.07Å | ||
| 665 | K | 39.4 | Very low | 41.4 | Very low | 167 Ų | 167 | 111 Ų | 111 | 73% | 0.726 | 56% | 0.563 | S | S | * | * | trans | 57.7 | 72.9 | 161 | -59.2 | 174.2 | -177.1 | 175.9 | 0 | 117.5 | ||||
| 666 | S | 38.4 | Very low | 41.1 | Very low | 63 Ų | 63 | 117.5 Ų | 117.5 | 44% | 0.441 | 58% | 0.581 | S | S | . | * | trans | -107.9 | 73.8 | 132.2 | -170.3 | 0 | 0 | 0 | 0 | 108.8 | K668 K669 | S666-K668 PolarHBondContact O-N 3.13Å; S666-K669 PolarHBondContact O-N 2.9Å; S666-K669 VanDerWaalsContact O-N 3.1Å | ||
| 667 | L | 37.9 | Very low | 40.5 | Very low | 134 Ų | 134 | 127 Ų | 127 | 70% | 0.702 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -67.4 | -30.1 | -175.5 | -140.4 | 154.7 | 0 | 0 | 0 | 111 | K669 S670 | L667-K669 VanDerWaalsContact C-N 3.3Å; L667-K669 PolarHBondContact O-N 3.22Å; L667-S670 WeakPolarHBondContact O-CB 3.4Å; L667-S670 PolarHBondContact O-N 2.86Å |
| 668 | K | 46.5 | Very low | 40.2 | Very low | 136 Ų | 136 | 126.9 Ų | 126.9 | 59% | 0.591 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -52.4 | -38.5 | 167.6 | -76.8 | -179.2 | 170.3 | 178.1 | 0 | 113.3 | P519 S666 S670 L671 | P519-K668 PolarHBondContact O-NZ 2.96Å; S666-K668 PolarHBondContact O-N 3.13Å; K668-S670 VanDerWaalsContact C-N 3.3Å; K668-S670 PolarHBondContact O-N 2.86Å; K668-L671 PolarHBondContact O-N 2.91Å |
| 669 | K | 45.8 | Very low | 39.8 | Very low | 92 Ų | 92 | 134.1 Ų | 134.1 | 40% | 0.4 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -66.6 | -25.9 | -178.5 | -96.4 | 167 | -179.9 | 154.3 | 0 | 113.3 | E460 S666 L667 L671 | E460-K669 IonicContact OE1-NZ 2.71Å; E460-K669 PolarHBondContact OE1-NZ 2.85Å; E460-K669 VanDerWaalsContact OE1-NZ 3.09Å; S666-K669 PolarHBondContact O-N 2.9Å; S666-K669 VanDerWaalsContact O-N 3.1Å; L667-K669 VanDerWaalsContact C-N 3.3Å; L667-K669 PolarHBondContact O-N 3.22Å; K669-L671 PolarHBondContact O-N 2.92Å |
| 670 | S | 37.4 | Very low | 39.4 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -62.5 | -42.5 | 176 | -170.7 | 0 | 0 | 0 | 0 | 112.2 | L667 K668 R672 S674 | L667-S670 WeakPolarHBondContact O-CB 3.4Å; L667-S670 PolarHBondContact O-N 2.86Å; K668-S670 VanDerWaalsContact C-N 3.3Å; K668-S670 PolarHBondContact O-N 2.86Å; S670-R672 VanDerWaalsContact C-N 3.34Å; S670-R672 PolarHBondContact O-N 3.1Å; S670-S674 PolarHBondContact O-OG 2.85Å |
| 671 | L | 39.4 | Very low | 39 | Very low | 118 Ų | 118 | 144.3 Ų | 144.3 | 62% | 0.618 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -70.4 | -21.2 | -172 | -104.1 | 161.8 | 0 | 0 | 0 | 114.8 | K668 K669 S674 F675 | K668-L671 PolarHBondContact O-N 2.91Å; K669-L671 PolarHBondContact O-N 2.92Å; L671-S674 PolarHBondContact O-OG 2.88Å; L671-F675 HydrophobicContact CD2-CE2 4.15Å; L671-F675 VanDerWaalsContact O-CD2 3.32Å; L671-F675 WeakPolarHBondContact O-CD2 3.31Å |
| 672 | R | 49.2 | Very low | 38.6 | Very low | 208 Ų | 208 | 149.6 Ų | 149.6 | 79% | 0.785 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -106.2 | -14.4 | -179 | -120.7 | -178 | -174 | -142.6 | 3.7 | 115.4 | S670 | S670-R672 VanDerWaalsContact C-N 3.34Å; S670-R672 PolarHBondContact O-N 3.1Å |
| 673 | Q | 38.7 | Very low | 38.2 | Very low | 145 Ų | 145 | 152.5 Ų | 152.5 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -83.7 | -27.5 | 171.3 | -70.9 | -162.3 | -4.7 | 0 | 0 | 113.3 | ||
| 674 | S | 36.7 | Very low | 37.8 | Very low | 49 Ų | 49 | 146.8 Ų | 146.8 | 34% | 0.343 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -61.9 | -54.5 | 176.8 | 51.5 | 0 | 0 | 0 | 0 | 112.5 | S670 L671 R676 R677 | S670-S674 PolarHBondContact O-OG 2.85Å; L671-S674 PolarHBondContact O-OG 2.88Å; S674-R676 VanDerWaalsContact C-N 3.27Å; S674-R676 PolarHBondContact O-N 3.44Å; S674-R677 PolarHBondContact O-N 3.07Å |
| 675 | F | 41.8 | Very low | 37.6 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 72% | 0.719 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -9.7 | -172.9 | -69.9 | -65.9 | 0 | 0 | 0 | 115.8 | L671 | L671-F675 HydrophobicContact CD2-CE2 4.15Å; L671-F675 VanDerWaalsContact O-CD2 3.32Å; L671-F675 WeakPolarHBondContact O-CD2 3.31Å |
| 676 | R | 48.6 | Very low | 37.1 | Very low | 231 Ų | 231 | 149.1 Ų | 149.1 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.3 | 2.5 | 174.1 | -77.5 | -171.5 | 173.6 | -174.6 | -1.8 | 114.9 | S674 | S674-R676 VanDerWaalsContact C-N 3.27Å; S674-R676 PolarHBondContact O-N 3.44Å |
| 677 | R | 38.2 | Very low | 36.6 | Very low | 215 Ų | 215 | 156.3 Ų | 156.3 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.3 | -6.2 | 179.3 | -157.3 | 171.6 | -77.1 | -172.9 | -1.9 | 115.4 | S674 R679 | S674-R677 PolarHBondContact O-N 3.07Å; R677-R679 PolarHBondContact O-N 2.76Å; R677-R679 VanDerWaalsContact O-N 3.14Å |
| 678 | I | 39.7 | Very low | 36.2 | Very low | 140 Ų | 140 | 161.7 Ų | 161.7 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | -88.6 | 71.9 | 176.8 | -53.3 | 176.1 | 0 | 0 | 0 | 111 | ||||
| 679 | R | 36 | Very low | 35.2 | Very low | 238 Ų | 238 | 159.8 Ų | 159.8 | 90% | 0.898 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -178 | 77.3 | 157.4 | -104.7 | 167.4 | -167.6 | -164.1 | 5 | 112.6 | R677 | R677-R679 PolarHBondContact O-N 2.76Å; R677-R679 VanDerWaalsContact O-N 3.14Å |
| 680 | K | 31.3 | Very low | 34.5 | Very low | 211 Ų | 211 | 163.1 Ų | 163.1 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | 162.4 | 105.2 | 145.8 | -93.3 | 164.7 | -178 | 178.1 | 0 | 112 | ||||
| 681 | S | 28.6 | Very low | 34 | Very low | 130 Ų | 130 | 165.4 Ų | 165.4 | 91% | 0.909 | 80% | 0.798 | S | S | * | * | trans | 176.3 | 148.7 | 130.2 | -170.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 682 | R | 30.5 | Very low | 33.7 | Very low | 229 Ų | 229 | 165.7 Ų | 165.7 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -149.1 | 143.1 | -179.6 | -141.8 | -174.5 | -167 | -172.8 | 5.3 | 109.3 | ||||
| 683 | V | 28 | Very low | 33 | Very low | 138 Ų | 138 | 161.6 Ų | 161.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | 65.5 | 106.9 | 167.7 | -169.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 684 | S | 28.5 | Very low | 32.9 | Very low | 125 Ų | 125 | 160.9 Ų | 160.9 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | -162.9 | 150.8 | 110.5 | -167.2 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 685 | G | 28.6 | Very low | 33.3 | Very low | 65 Ų | 65 | 162.4 Ų | 162.4 | 67% | 0.67 | 82% | 0.821 | S | S | * | * | trans | -148.2 | 144.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 686 | K | 29.8 | Very low | 33.4 | Very low | 214 Ų | 214 | 163 Ų | 163 | 93% | 0.93 | 82% | 0.823 | S | S | * | * | trans | -161.8 | 117.5 | 159.9 | -112.1 | 162.3 | -174.9 | 172.4 | 0 | 109.7 | ||||
| 687 | K | 28.3 | Very low | 33.3 | Very low | 215 Ų | 215 | 157.3 Ų | 157.3 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | trans | -75.5 | 140.2 | 166.6 | -71 | -176.8 | 175.9 | -177.8 | 0 | 109.1 | ||||
| 688 | R | 28.4 | Very low | 33.7 | Very low | 247 Ų | 247 | 154.2 Ų | 154.2 | 93% | 0.932 | 81% | 0.809 | S | S | * | * | trans | -135.8 | 127.6 | 157.1 | -107.4 | -176.3 | 171.6 | 176.1 | -3.3 | 107.4 | ||||
| 689 | A | 26.5 | Very low | 34 | Very low | 96 Ų | 96 | 154.3 Ų | 154.3 | 79% | 0.793 | 81% | 0.806 | S | S | * | * | trans | -92.4 | 145.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 690 | I | 30.1 | Very low | 34.4 | Very low | 162 Ų | 162 | 146 Ų | 146 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | trans | -134.2 | 130.6 | 166.8 | -61.9 | 180 | 0 | 0 | 0 | 106.5 | ||||
| 691 | T | 27.8 | Very low | 35.2 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 82% | 0.816 | 77% | 0.773 | S | S | * | * | trans | -108.5 | 134.9 | -177.8 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 692 | T | 32.4 | Very low | 36.2 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 77% | 0.767 | 76% | 0.755 | S | S | * | * | trans | -135.1 | 151 | 167.3 | 45.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 693 | P | 34.4 | Very low | 36.9 | Very low | 122 Ų | 122 | 131.1 Ų | 131.1 | 79% | 0.792 | 75% | 0.747 | S | S | * | * | trans | -123.5 | 105.4 | -162.2 | 34.3 | -15.2 | 0 | 0 | 0 | 114 | ||||
| 694 | T | 36.9 | Very low | 37.8 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 74% | 0.744 | S | S | * | * | trans | -142.9 | 67.6 | 177 | 53.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 695 | S | 45 | Very low | 38.6 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 56% | 0.559 | 74% | 0.735 | S | S | * | * | trans | -104.5 | -32.7 | 172.8 | 55 | 0 | 0 | 0 | 0 | 114.3 | V697 Q698 | S695-V697 VanDerWaalsContact C-N 3.29Å; S695-V697 PolarHBondContact O-N 2.79Å; S695-V697 VanDerWaalsContact O-N 3.13Å; S695-Q698 PolarHBondContact O-N 2.88Å | ||
| 696 | K | 42.9 | Very low | 39.2 | Very low | 177 Ų | 177 | 134.8 Ų | 134.8 | 77% | 0.77 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 7.1 | -167.7 | -63.8 | -163.6 | 171.9 | -166.9 | 0 | 117 | ||
| 697 | V | 47.5 | Very low | 39.7 | Very low | 111 Ų | 111 | 133.5 Ų | 133.5 | 67% | 0.673 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | -18 | 175.7 | -178.3 | 0 | 0 | 0 | 0 | 111.5 | S695 N701 | S695-V697 VanDerWaalsContact C-N 3.29Å; S695-V697 PolarHBondContact O-N 2.79Å; S695-V697 VanDerWaalsContact O-N 3.13Å; V697-N701 PolarHBondContact O-ND2 3.43Å |
| 698 | Q | 45.9 | Very low | 40 | Very low | 150 Ų | 150 | 131.4 Ų | 131.4 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.5 | -39.5 | -174.1 | -125.7 | 156.1 | -25.6 | 0 | 0 | 112.4 | S695 A700 N701 | S695-Q698 PolarHBondContact O-N 2.88Å; Q698-A700 VanDerWaalsContact C-N 3.32Å; Q698-A700 PolarHBondContact O-N 3.28Å; Q698-N701 PolarHBondContact O-N 3.5Å |
| 699 | E | 45.7 | Very low | 40.4 | Very low | 143 Ų | 143 | 129.4 Ų | 129.4 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -61.3 | -38.4 | 176.7 | -63 | 171.7 | 128.8 | 0 | 0 | 112.3 | N701 A702 | E699-N701 VanDerWaalsContact C-N 3.26Å; E699-N701 PolarHBondContact O-N 2.82Å; E699-A702 PolarHBondContact O-N 2.98Å |
| 700 | A | 46.1 | Very low | 40.8 | Very low | 63 Ų | 63 | 129.2 Ų | 129.2 | 52% | 0.521 | 72% | 0.722 | S | S | . | * | H | α-helix | trans | -66.1 | -24.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | Q698 | Q698-A700 VanDerWaalsContact C-N 3.32Å; Q698-A700 PolarHBondContact O-N 3.28Å |
| 701 | N | 48.2 | Very low | 40.9 | Very low | 110 Ų | 110 | 125.4 Ų | 125.4 | 59% | 0.588 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -86.5 | -21.7 | 178.1 | -70.2 | -34.2 | 0 | 0 | 0 | 112.7 | V697 Q698 E699 | V697-N701 PolarHBondContact O-ND2 3.43Å; Q698-N701 PolarHBondContact O-N 3.5Å; E699-N701 VanDerWaalsContact C-N 3.26Å; E699-N701 PolarHBondContact O-N 2.82Å |
| 702 | A | 48 | Very low | 41.2 | Very low | 65 Ų | 65 | 125.4 Ų | 125.4 | 54% | 0.537 | 72% | 0.717 | S | S | . | * | H | α-helix | trans | -70.4 | -43.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | E699 L704 A705 | E699-A702 PolarHBondContact O-N 2.98Å; A702-L704 PolarHBondContact O-N 2.93Å; A702-A705 WeakPolarHBondContact O-CB 3.19Å; A702-A705 PolarHBondContact O-N 2.9Å; A702-A705 VanDerWaalsContact O-N 3.09Å |
| 703 | A | 46.2 | Very low | 41.5 | Very low | 83 Ų | 83 | 124.8 Ų | 124.8 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -6.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 704 | L | 46.6 | Very low | 42 | Very low | 149 Ų | 149 | 123.7 Ų | 123.7 | 78% | 0.78 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -2.6 | 176.3 | -80.9 | 163.5 | 0 | 0 | 0 | 113.5 | A702 | A702-L704 PolarHBondContact O-N 2.93Š|
| 705 | A | 45.2 | Very low | 42.5 | Very low | 82 Ų | 82 | 126.9 Ų | 126.9 | 68% | 0.678 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -92.5 | -12.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A702 | A702-A705 WeakPolarHBondContact O-CB 3.19Å; A702-A705 PolarHBondContact O-N 2.9Å; A702-A705 VanDerWaalsContact O-N 3.09Å |
| 706 | E | 42.1 | Very low | 42.7 | Very low | 174 Ų | 174 | 133.4 Ų | 133.4 | 81% | 0.813 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -92.6 | 9.5 | -168.9 | -59.8 | -170.4 | 148.2 | 0 | 0 | 115 | ||
| 707 | Q | 40.4 | Very low | 43.5 | Very low | 187 Ų | 187 | 126.8 Ų | 126.8 | 87% | 0.874 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -134.2 | 63.3 | -177.9 | -68.5 | -166.2 | -7 | 0 | 0 | 114.5 | ||
| 708 | E | 32.6 | Very low | 44.1 | Very low | 171 Ų | 171 | 128.7 Ų | 128.7 | 80% | 0.799 | 68% | 0.681 | S | S | * | * | trans | -156.6 | 120.7 | 154.1 | -126.7 | 175.4 | -153.2 | 0 | 0 | 111.8 | V710 | E708-V710 HydrophobicContact CB-CG2 3.92Å; E708-V710 HydrophobicContact CG-CG2 4.4Å; E708-V710 PolarHBondContact O-N 3.31Å | ||
| 709 | E | 38.4 | Very low | 44.7 | Very low | 205 Ų | 205 | 125.5 Ų | 125.5 | 96% | 0.958 | 67% | 0.673 | S | S | * | * | trans | -74.4 | 117.8 | 165.7 | -78.2 | -167.2 | 124.3 | 0 | 0 | 109.2 | ||||
| 710 | V | 33.5 | Very low | 45.8 | Very low | 92 Ų | 92 | 121.6 Ų | 121.6 | 56% | 0.558 | 65% | 0.653 | S | S | * | * | trans | -128.2 | 130 | -176.4 | -162.5 | 0 | 0 | 0 | 0 | 112.5 | E708 V713 | E708-V710 HydrophobicContact CB-CG2 3.92Å; E708-V710 HydrophobicContact CG-CG2 4.4Å; E708-V710 PolarHBondContact O-N 3.31Å; V710-V713 HydrophobicContact CB-CG2 4.01Å; V710-V713 HydrophobicContact CG1-CG2 3.75Å | ||
| 711 | A | 32.7 | Very low | 46.5 | Very low | 81 Ų | 81 | 122.5 Ų | 122.5 | 67% | 0.669 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -52.7 | 152.6 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | V713 | A711-V713 PolarHBondContact O-N 3.35Š|
| 712 | P | 33.6 | Very low | 46.9 | Very low | 134 Ų | 134 | 119.1 Ų | 119.1 | 87% | 0.87 | 64% | 0.642 | S | S | * | * | trans | -45.4 | 108.1 | -164.3 | 13.5 | -31.1 | 0 | 0 | 0 | 114 | Q714 | P712-Q714 PolarHBondContact O-N 2.92Å; P712-Q714 VanDerWaalsContact O-N 3.13Å | ||
| 713 | V | 39 | Very low | 47.2 | Very low | 112 Ų | 112 | 122.1 Ų | 122.1 | 68% | 0.679 | 65% | 0.649 | S | S | * | * | trans | -72.9 | 107.8 | -168.5 | 176.7 | 0 | 0 | 0 | 0 | 110.1 | V710 A711 R715 | V710-V713 HydrophobicContact CB-CG2 4.01Å; V710-V713 HydrophobicContact CG1-CG2 3.75Å; A711-V713 PolarHBondContact O-N 3.35Å; V713-R715 PolarHBondContact O-N 3.48Å | ||
| 714 | Q | 45.6 | Very low | 47.9 | Very low | 98 Ų | 98 | 120.9 Ų | 120.9 | 46% | 0.458 | 63% | 0.631 | S | S | . | * | trans | -62.2 | 107.1 | 175.4 | -164.5 | -177.7 | 27.7 | 0 | 0 | 109.8 | P712 R716 A864 H865 | P712-Q714 PolarHBondContact O-N 2.92Å; P712-Q714 VanDerWaalsContact O-N 3.13Å; Q714-R716 PolarHBondContact O-N 2.9Å; Q714-R716 VanDerWaalsContact O-N 3.16Å; Q714-A864 HydrophobicContact CG-CB 4.19Å; Q714-A864 WeakPolarHBondContact CG-O 3.41Å; Q714-A864 PolarHBondContact NE2-O 2.9Å; Q714-H865 PolarHBondContact NE2-CE1 2.83Å; Q714-H865 PolarHBondContact NE2-NE2 3.46Å; Q714-H865 VanDerWaalsContact NE2-NE2 3.11Å | ||
| 715 | R | 46.8 | Very low | 48.7 | Very low | 197 Ų | 197 | 117 Ų | 117 | 74% | 0.743 | 62% | 0.617 | S | S | * | * | trans | -52.3 | 121.2 | -174.5 | -170.2 | 175.2 | -175.4 | 165.6 | 4.8 | 110.6 | V713 I717 | V713-R715 PolarHBondContact O-N 3.48Å; R715-I717 PolarHBondContact O-N 2.8Å | ||
| 716 | R | 50.3 | Low | 50.1 | Low | 218 Ų | 218 | 116.3 Ų | 116.3 | 82% | 0.823 | 60% | 0.601 | S | S | * | * | trans | -64.8 | 124.8 | 174.4 | -68 | -174.7 | -179.9 | -175.5 | 3.2 | 108.3 | Q714 E718 | Q714-R716 PolarHBondContact O-N 2.9Å; Q714-R716 VanDerWaalsContact O-N 3.16Å; R716-E718 PolarHBondContact O-N 3.35Å | ||
| 717 | I | 59.3 | Low | 51.8 | Low | 38 Ų | 38 | 108.6 Ų | 108.6 | 20% | 0.195 | 57% | 0.566 | C | S | . | * | trans | -83.8 | 107.6 | 168 | -63.4 | 169.9 | 0 | 0 | 0 | 106.3 | R715 H799 E844 Q845 K861 A864 | R715-I717 PolarHBondContact O-N 2.8Å; I717-H799 HydrophobicContact CG2-CB 3.95Å; I717-E844 HydrophobicContact CD1-CB 4.4Å; I717-E844 WeakPolarHBondContact CG2-OE2 3.46Å; I717-Q845 HydrophobicContact CD1-CG 4.21Å; I717-K861 HydrophobicContact CD1-CB 4.22Å; I717-K861 HydrophobicContact CD1-CD 4.42Å; I717-A864 HydrophobicContact CD1-CB 3.81Å; I717-A864 HydrophobicContact CG1-CB 4.09Å | ||
| 718 | E | 59.5 | Low | 53.9 | Low | 151 Ų | 151 | 99.8 Ų | 99.8 | 71% | 0.706 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -84.2 | 149.5 | 173.9 | -63 | -172.4 | 157.5 | 0 | 0 | 110.3 | R716 | R716-E718 PolarHBondContact O-N 3.35Š|
| 719 | P | 58.1 | Low | 56.7 | Low | 83 Ų | 83 | 92.1 Ų | 92.1 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 138.2 | 179.2 | 29.9 | -34.6 | 0 | 0 | 0 | 111.3 | H799 | P719-H799 WeakPolarHBondContact CA-O 3.37Š|
| 720 | R | 69.8 | Low | 59.5 | Low | 61 Ų | 61 | 82.3 Ų | 82.3 | 23% | 0.23 | 45% | 0.445 | C | S | . | . | P | Polyproline II helix | trans | -62.8 | 150.3 | 171.1 | -55.6 | -170.5 | -172.1 | -175.7 | 7.4 | 110.8 | H799 R800 E843 E844 | R720-H799 PolarHBondContact N-O 2.89Å; R720-R800 HydrophobicContact CB-CB 4.15Å; R720-R800 WeakPolarHBondContact O-CD 3.45Å; R720-R800 PolarHBondContact O-NH1 2.86Å; R720-E843 IonicContact CZ-OE2 3.07Å; R720-E843 IonicContact NH1-OE2 2.65Å; R720-E843 PolarHBondContact NH1-OE2 2.81Å; R720-E843 IonicContact NH2-OE2 2.95Å; R720-E843 PolarHBondContact NH2-OE2 2.88Å; R720-E844 IonicContact CZ-OE1 3.45Å; R720-E844 VanDerWaalsContact CZ-OE1 3.32Å; R720-E844 IonicContact NE-OE1 3.14Å; R720-E844 PolarHBondContact NE-OE1 2.59Å; R720-E844 VanDerWaalsContact NE-OE1 3.07Å; R720-E844 IonicContact NH2-OE1 2.78Å; R720-E844 PolarHBondContact NH2-OE1 3.49Å |
| 721 | S | 59.5 | Low | 62.4 | Low | 82 Ų | 82 | 80.9 Ų | 80.9 | 57% | 0.573 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 157.6 | 176.6 | 44 | 0 | 0 | 0 | 0 | 111.9 | ||
| 722 | A | 57.4 | Low | 65.5 | Low | 38 Ų | 38 | 77.7 Ų | 77.7 | 31% | 0.314 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -75.2 | -34.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D724 | A722-D724 PolarHBondContact O-N 2.91Š|
| 723 | D | 53.7 | Low | 68.5 | Low | 129 Ų | 129 | 72.3 Ų | 72.3 | 69% | 0.69 | 37% | 0.366 | S | S | * | . | trans | -84.7 | 29.8 | -166.3 | -37.6 | -87.4 | 0 | 0 | 0 | 113.4 | ||||
| 724 | D | 62.3 | Low | 71.3 | Confident | 57 Ų | 57 | 68.2 Ų | 68.2 | 31% | 0.305 | 34% | 0.342 | S | S | . | . | trans | -80.8 | 118.7 | 171.3 | -176.7 | -14 | 0 | 0 | 0 | 109 | A722 L726 S727 | A722-D724 PolarHBondContact O-N 2.91Å; D724-L726 PolarHBondContact O-N 2.65Å; D724-L726 PolarHBondContact OD1-N 3.22Å; D724-S727 WeakPolarHBondContact O-CB 3.48Å; D724-S727 PolarHBondContact O-N 3.15Å; D724-S727 PolarHBondContact O-OG 2.72Å | ||
| 725 | S | 62.1 | Low | 73.7 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 48% | 0.476 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | -9 | -180 | 56.6 | 0 | 0 | 0 | 0 | 114.3 | ||
| 726 | L | 74.6 | Confident | 76 | Confident | 66 Ų | 66 | 55.7 Ų | 55.7 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103 | 8.9 | 172.2 | -61.3 | 178 | 0 | 0 | 0 | 112.8 | L661 D724 G728 V729 N755 | L661-L726 HydrophobicContact CD2-CD1 4.49Å; D724-L726 PolarHBondContact O-N 2.65Å; D724-L726 PolarHBondContact OD1-N 3.22Å; L726-G728 PolarHBondContact O-N 3.14Å; L726-V729 HydrophobicContact CB-CG2 4.19Å; L726-V729 HydrophobicContact CD2-CG2 4.2Å; L726-V729 WeakPolarHBondContact O-CG2 3.22Å; L726-V729 PolarHBondContact O-N 2.87Å; L726-N755 VanDerWaalsContact O-CB 3.24Å; L726-N755 WeakPolarHBondContact O-CB 3.41Å; L726-N755 PolarHBondContact O-ND2 2.71Å |
| 727 | S | 79.4 | Confident | 78 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 9% | 0.091 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.6 | -46.7 | -178.5 | 55.2 | 0 | 0 | 0 | 0 | 113.4 | D724 V729 S756 | D724-S727 WeakPolarHBondContact O-CB 3.48Å; D724-S727 PolarHBondContact O-N 3.15Å; D724-S727 PolarHBondContact O-OG 2.72Å; S727-V729 VanDerWaalsContact C-N 3.28Å; S727-V729 PolarHBondContact O-N 2.8Å; S727-S756 WeakPolarHBondContact O-CB 3.27Å; S727-S756 PolarHBondContact O-N 2.88Å; S727-S756 PolarHBondContact O-OG 2.78Å |
| 728 | G | 83.4 | Confident | 79.7 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.01 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -10.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | T648 L726 V730 | T648-G728 WeakPolarHBondContact CB-O 3.42Å; T648-G728 WeakPolarHBondContact O-CA 3.48Å; T648-G728 PolarHBondContact OG1-O 2.71Å; L726-G728 PolarHBondContact O-N 3.14Å; G728-V730 PolarHBondContact O-N 3.41Å |
| 729 | V | 92.8 | Very high | 81.3 | Confident | 10 Ų | 10 | 39.4 Ų | 39.4 | 6% | 0.061 | 23% | 0.226 | C | C | . | . | trans | -60.4 | 124.8 | -173.6 | 177.7 | 0 | 0 | 0 | 0 | 111.2 | T613 L726 S727 T754 N755 | T613-V729 HydrophobicContact CG2-CG1 4.13Å; L726-V729 HydrophobicContact CB-CG2 4.19Å; L726-V729 HydrophobicContact CD2-CG2 4.2Å; L726-V729 WeakPolarHBondContact O-CG2 3.22Å; L726-V729 PolarHBondContact O-N 2.87Å; S727-V729 VanDerWaalsContact C-N 3.28Å; S727-V729 PolarHBondContact O-N 2.8Å; V729-T754 CarbonylContact O-C 3.53Å; V729-T754 WeakPolarHBondContact O-CA 3.36Å; V729-N755 HydrophobicContact CB-CB 3.95Å; V729-N755 WeakPolarHBondContact O-CB 3.35Å; V729-N755 PolarHBondContact O-N 3.12Å | ||
| 730 | V | 96.5 | Very high | 82.9 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 128.5 | 176.2 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | T613 A614 T628 G631 F632 T648 G728 L733 | T613-V730 WeakPolarHBondContact CB-O 3.29Å; T613-V730 PolarHBondContact OG1-O 3.39Å; A614-V730 HydrophobicContact CB-CG1 4.32Å; T628-V730 PolarHBondContact O-N 2.91Å; G631-V730 WeakPolarHBondContact O-CG2 3.47Å; F632-V730 HydrophobicContact CB-CG1 4.41Å; F632-V730 HydrophobicContact CB-CG2 4.12Å; F632-V730 HydrophobicContact CD1-CG2 3.9Å; F632-V730 HydrophobicContact CG-CG2 4.48Å; T648-V730 HydrophobicContact CG2-CG2 4.47Å; G728-V730 PolarHBondContact O-N 3.41Å; V730-L733 HydrophobicContact CG1-CD2 4.23Å; V730-L733 HydrophobicContact CG1-CG 4.25Å |
| 731 | R | 94.9 | Very high | 83.7 | Confident | 61 Ų | 61 | 39.2 Ų | 39.2 | 23% | 0.23 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | -31.4 | -171 | -65.6 | -72 | -61.9 | -96.5 | -5.4 | 113.3 | G753 N755 V803 E843 | R731-G753 PolarHBondContact N-O 3.29Å; R731-N755 HydrophobicContact CG-CB 4.1Å; R731-N755 PolarHBondContact NH1-OD1 2.96Å; R731-V803 WeakPolarHBondContact CB-O 3.39Å; R731-E843 IonicContact CZ-OE1 3.34Å; R731-E843 IonicContact NH1-OE1 3.75Å; R731-E843 PolarHBondContact NH1-OE1 2.97Å; R731-E843 IonicContact NH2-OE1 2.72Å; R731-E843 PolarHBondContact NH2-OE1 3.33Å |
| 732 | C | 96.3 | Very high | 84.9 | Confident | 15 Ų | 15 | 38 Ų | 38 | 10% | 0.101 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 148 | 177.4 | 61.4 | 0 | 0 | 0 | 0 | 111.8 | G753 | C732-G753 PolarHBondContact N-O 3.03Å; C732-G753 PolarHBondContact O-N 3.02Å |
| 733 | L | 97.8 | Very high | 86 | Confident | 21 Ų | 21 | 38.6 Ų | 38.6 | 11% | 0.11 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 141.7 | 174.6 | -68.8 | 165.8 | 0 | 0 | 0 | 108.9 | A614 A616 A625 F626 F632 V730 L750 W751 A752 | A614-L733 HydrophobicContact CB-CD1 3.92Å; A614-L733 HydrophobicContact CB-CG 3.98Å; A616-L733 HydrophobicContact CB-CB 3.93Å; A625-L733 HydrophobicContact CB-CD1 4.07Å; F626-L733 VanDerWaalsContact C-CD1 3.5Å; F632-L733 HydrophobicContact CB-CD2 4.35Å; F632-L733 HydrophobicContact CD2-CD2 4.41Å; F632-L733 HydrophobicContact CG-CD2 4.44Å; V730-L733 HydrophobicContact CG1-CD2 4.23Å; V730-L733 HydrophobicContact CG1-CG 4.25Å; L733-L750 HydrophobicContact CD2-CD1 4.38Å; L733-W751 CarbonylContact C-O 3.59Å; L733-W751 WeakPolarHBondContact CA-O 3.43Å; L733-A752 HydrophobicContact CD2-CB 3.56Å |
| 734 | C | 96.3 | Very high | 87.4 | Confident | 26 Ų | 26 | 37.7 Ų | 37.7 | 18% | 0.176 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 128.1 | -178.2 | 171.8 | 0 | 0 | 0 | 0 | 110.1 | W751 I806 | C734-W751 HydrophobicContact CB-CB 4.33Å; C734-W751 PolarHBondContact N-O 2.88Å; C734-W751 PolarHBondContact O-N 3.11Å; C734-I806 HydrophobicContact CB-CB 4.44Å |
| 735 | F | 96.8 | Very high | 88.5 | Confident | 26 Ų | 26 | 41.1 Ų | 41.1 | 11% | 0.114 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 147 | 166.8 | -71.7 | -73.9 | 0 | 0 | 0 | 109.9 | A616 H618 W621 L623 A625 L634 T749 L750 L764 | A616-F735 HydrophobicContact CB-CD2 3.78Å; A616-F735 HydrophobicContact CB-CE2 3.89Å; H618-F735 HydrophobicContact CB-CB 4.24Å; H618-F735 HydrophobicContact CB-CD1 4.37Å; H618-F735 HydrophobicContact CB-CD2 3.71Å; H618-F735 HydrophobicContact CB-CE2 4.03Å; H618-F735 HydrophobicContact CB-CG 3.88Å; H618-F735 HydrophobicContact CB-CZ 4.49Å; W621-F735 HydrophobicContact CE3-CD1 4.13Å; W621-F735 HydrophobicContact CZ3-CB 3.97Å; W621-F735 AromaticContact CZ3-CD1 3.86Å; W621-F735 HydrophobicContact CZ3-CD1 3.86Å; W621-F735 HydrophobicContact CZ3-CG 4.26Å; L623-F735 HydrophobicContact CB-CE1 4.18Å; L623-F735 HydrophobicContact CB-CZ 3.86Å; L623-F735 HydrophobicContact CD1-CE1 4.28Å; A625-F735 HydrophobicContact CB-CE2 3.98Å; A625-F735 HydrophobicContact CB-CZ 3.76Å; L634-F735 HydrophobicContact CD1-CE1 3.71Å; L634-F735 HydrophobicContact CD1-CZ 3.55Å; F735-T749 WeakPolarHBondContact CA-O 3.33Å; F735-L750 HydrophobicContact CD1-CB 4.22Å; F735-L750 HydrophobicContact CD1-CD1 4.03Å; F735-L750 HydrophobicContact CE1-CB 4.17Å; F735-L750 HydrophobicContact CE1-CD1 3.88Å; F735-L750 HydrophobicContact CE1-CG 4.47Å; F735-L750 HydrophobicContact CG-CD1 4.47Å; F735-L750 HydrophobicContact CZ-CD1 4.19Å; F735-L764 HydrophobicContact CD1-CD1 4.07Å; F735-L764 HydrophobicContact CE1-CD1 3.9Å |
| 736 | A | 94.9 | Very high | 89.9 | Confident | 6 Ų | 6 | 42.1 Ų | 42.1 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158.6 | 142.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | T738 T749 I808 L816 | A736-T738 HydrophobicContact CB-CG2 4.47Å; A736-T749 PolarHBondContact N-O 3.33Å; A736-T749 WeakPolarHBondContact O-CA 3.12Å; A736-T749 PolarHBondContact O-N 3.25Å; A736-T749 PolarHBondContact O-OG1 3.05Å; A736-I808 HydrophobicContact CB-CB 4.1Å; A736-I808 HydrophobicContact CB-CG1 3.4Å; A736-L816 HydrophobicContact CB-CD1 3.81Å |
| 737 | D | 93.6 | Very high | 90.6 | Very high | 52 Ų | 52 | 40 Ų | 40 | 28% | 0.278 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 111.5 | 164.4 | -175 | 4.9 | 0 | 0 | 0 | 109.2 | W621 H746 G747 L816 | W621-D737 HydrophobicContact CZ2-CB 4.31Å; D737-H746 IonicContact OD1-CE1 2.79Å; D737-H746 IonicContact OD1-CG 3.34Å; D737-H746 IonicContact OD1-ND1 3.59Å; D737-H746 PolarHBondContact OD1-ND1 2.97Å; D737-H746 IonicContact OD2-CE1 3.01Å; D737-H746 PolarHBondContact OD2-CE1 3.35Å; D737-H746 IonicContact OD2-ND1 2.69Å; D737-H746 PolarHBondContact OD2-ND1 3.13Å; D737-G747 WeakPolarHBondContact CA-O 3.41Å; D737-G747 WeakPolarHBondContact OD1-CA 3.45Å; D737-G747 PolarHBondContact OD1-N 3.47Å; D737-G747 VanDerWaalsContact OD1-N 3.09Å; D737-L816 WeakPolarHBondContact O-CD1 3.32Å |
| 738 | T | 94.8 | Very high | 91.4 | Very high | 2 Ų | 2 | 39.9 Ų | 39.9 | 1% | 0.012 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | 174.6 | -174.5 | -159.4 | 0 | 0 | 0 | 0 | 114.8 | A736 L740 G747 T749 W751 I808 H836 L851 | A736-T738 HydrophobicContact CB-CG2 4.47Å; T738-L740 PolarHBondContact O-N 3.17Å; T738-G747 PolarHBondContact N-O 3.21Å; T738-G747 PolarHBondContact O-N 3.11Å; T738-G747 VanDerWaalsContact O-N 3.14Å; T738-T749 HydrophobicContact CG2-CG2 4.31Å; T738-W751 HydrophobicContact CG2-CZ2 4.31Å; T738-I808 HydrophobicContact CG2-CG1 4.44Å; T738-I808 HydrophobicContact CG2-CG2 4.3Å; T738-H836 PolarHBondContact OG1-ND1 2.95Å; T738-L851 HydrophobicContact CG2-CD1 3.84Å; T738-L851 WeakPolarHBondContact OG1-CD1 3.36Å |
| 739 | F | 93.3 | Very high | 92 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 5% | 0.048 | 22% | 0.215 | C | C | . | . | trans | -80.7 | 104.8 | -177.9 | -59.5 | -77.2 | 0 | 0 | 0 | 111.5 | D742 H746 M832 H836 L851 P852 | F739-D742 WeakPolarHBondContact CB-O 3.35Å; F739-H746 HydrophobicContact CD1-CB 4.02Å; F739-H746 HydrophobicContact CE1-CB 3.85Å; F739-H746 HydrophobicContact CE2-CB 4.43Å; F739-H746 HydrophobicContact CG-CB 4.39Å; F739-H746 HydrophobicContact CZ-CB 4.08Å; F739-M832 HydrophobicContact CZ-CB 4.46Å; F739-M832 WeakPolarHBondContact CZ-O 3.44Å; F739-H836 HydrophobicContact CD2-CB 4.21Å; F739-H836 AromaticContact CD2-CD2 3.93Å; F739-H836 AromaticContact CD2-CG 3.92Å; F739-H836 AromaticContact CE2-CD2 3.7Å; F739-H836 AromaticContact CE2-NE2 3.86Å; F739-L851 WeakPolarHBondContact O-CB 3.34Å; F739-P852 WeakPolarHBondContact O-CA 3.49Å; F739-P852 WeakPolarHBondContact O-CB 3.28Å | ||
| 740 | L | 91.2 | Very high | 92.2 | Very high | 4 Ų | 4 | 39.4 Ų | 39.4 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -116.1 | -38.1 | -179.5 | -171.2 | 62.3 | 0 | 0 | 0 | 114.6 | T738 T749 W751 A761 A763 K793 | T738-L740 PolarHBondContact O-N 3.17Å; L740-T749 HydrophobicContact CB-CG2 3.95Å; L740-T749 HydrophobicContact CD2-CG2 3.8Å; L740-T749 HydrophobicContact CG-CG2 4.49Å; L740-W751 HydrophobicContact CD1-CH2 4.03Å; L740-W751 HydrophobicContact CD1-CZ2 3.96Å; L740-A761 HydrophobicContact CD1-CB 3.84Å; L740-A761 HydrophobicContact CD2-CB 4.05Å; L740-A763 HydrophobicContact CD2-CB 4.22Å; L740-K793 HydrophobicContact CD1-CB 4.37Å; L740-K793 HydrophobicContact CD1-CG 3.59Å; L740-K793 WeakPolarHBondContact O-CE 3.26Å |
| 741 | R | 85.9 | Confident | 92.3 | Very high | 135 Ų | 135 | 39.4 Ų | 39.4 | 51% | 0.509 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -86.8 | -59.4 | 179.2 | -67.1 | -177.9 | 179.5 | 164.8 | 3.1 | 111 | E765 | R741-E765 IonicContact CZ-OE1 2.73Å; R741-E765 IonicContact NH1-OE1 3.46Å; R741-E765 PolarHBondContact NH1-OE1 3Å; R741-E765 IonicContact NH2-OE1 3.94Å; R741-E765 PolarHBondContact NH2-OE1 2.85Å |
| 742 | D | 84.8 | Confident | 92.5 | Very high | 57 Ų | 57 | 36.6 Ų | 36.6 | 31% | 0.305 | 20% | 0.202 | S | C | . | . | trans | -127.5 | -174.2 | 174.4 | 69.2 | 59.8 | 0 | 0 | 0 | 111.4 | F739 T744 H745 P852 | F739-D742 WeakPolarHBondContact CB-O 3.35Å; D742-T744 WeakPolarHBondContact OD1-CA 3.45Å; D742-T744 PolarHBondContact OD1-N 3.03Å; D742-T744 PolarHBondContact OD1-OG1 3.17Å; D742-H745 IonicContact OD1-CG 3.83Å; D742-H745 PolarHBondContact OD1-N 3.45Å; D742-H745 IonicContact OD1-ND1 3.29Å; D742-H745 PolarHBondContact OD1-ND1 3.34Å; D742-H745 IonicContact OD2-CE1 3.78Å; D742-H745 IonicContact OD2-CG 3.77Å; D742-H745 IonicContact OD2-ND1 2.81Å; D742-H745 PolarHBondContact OD2-ND1 3.3Å; D742-P852 WeakPolarHBondContact O-CB 3.46Å; D742-P852 WeakPolarHBondContact O-CG 3.34Å | ||
| 743 | G | 81.2 | Confident | 92.5 | Very high | 50 Ų | 50 | 35.9 Ų | 35.9 | 52% | 0.515 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -106.6 | 19.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 744 | T | 83.1 | Confident | 92.4 | Very high | 110 Ų | 110 | 34.9 Ų | 34.9 | 68% | 0.675 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -127 | -36.1 | -176 | 31.3 | 0 | 0 | 0 | 0 | 111.6 | D742 | D742-T744 WeakPolarHBondContact OD1-CA 3.45Å; D742-T744 PolarHBondContact OD1-N 3.03Å; D742-T744 PolarHBondContact OD1-OG1 3.17Å |
| 745 | H | 85.7 | Confident | 92.3 | Very high | 130 Ų | 130 | 34.3 Ų | 34.3 | 60% | 0.602 | 19% | 0.187 | S | C | * | . | trans | -104.6 | 114.1 | 174.2 | -48.8 | 102.4 | 0 | 0 | 0 | 109.2 | D742 | D742-H745 IonicContact OD1-CG 3.83Å; D742-H745 PolarHBondContact OD1-N 3.45Å; D742-H745 IonicContact OD1-ND1 3.29Å; D742-H745 PolarHBondContact OD1-ND1 3.34Å; D742-H745 IonicContact OD2-CE1 3.78Å; D742-H745 IonicContact OD2-CG 3.77Å; D742-H745 IonicContact OD2-ND1 2.81Å; D742-H745 PolarHBondContact OD2-ND1 3.3Å | ||
| 746 | H | 89.9 | Confident | 91.9 | Very high | 88 Ų | 88 | 34.5 Ų | 34.5 | 41% | 0.407 | 19% | 0.192 | S | C | . | . | trans | -85.2 | 165 | 162.8 | 66.1 | 94 | 0 | 0 | 0 | 109.6 | D737 F739 M832 | D737-H746 IonicContact OD1-CE1 2.79Å; D737-H746 IonicContact OD1-CG 3.34Å; D737-H746 IonicContact OD1-ND1 3.59Å; D737-H746 PolarHBondContact OD1-ND1 2.97Å; D737-H746 IonicContact OD2-CE1 3.01Å; D737-H746 PolarHBondContact OD2-CE1 3.35Å; D737-H746 IonicContact OD2-ND1 2.69Å; D737-H746 PolarHBondContact OD2-ND1 3.13Å; F739-H746 HydrophobicContact CD1-CB 4.02Å; F739-H746 HydrophobicContact CE1-CB 3.85Å; F739-H746 HydrophobicContact CE2-CB 4.43Å; F739-H746 HydrophobicContact CG-CB 4.39Å; F739-H746 HydrophobicContact CZ-CB 4.08Å; H746-M832 HydrophobicContact CB-CE 3.58Å; H746-M832 WeakPolarHBondContact ND1-CE 3.25Å | ||
| 747 | G | 91.1 | Very high | 91.8 | Very high | 21 Ų | 21 | 34.2 Ų | 34.2 | 22% | 0.216 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -172.7 | 174.7 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D737 T738 T749 | D737-G747 WeakPolarHBondContact CA-O 3.41Å; D737-G747 WeakPolarHBondContact OD1-CA 3.45Å; D737-G747 PolarHBondContact OD1-N 3.47Å; D737-G747 VanDerWaalsContact OD1-N 3.09Å; T738-G747 PolarHBondContact N-O 3.21Å; T738-G747 PolarHBondContact O-N 3.11Å; T738-G747 VanDerWaalsContact O-N 3.14Å; G747-T749 PolarHBondContact O-N 3.33Å |
| 748 | P | 94.9 | Very high | 91.9 | Very high | 11 Ų | 11 | 32.1 Ų | 32.1 | 7% | 0.071 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -52.5 | 132.6 | 175 | -30.4 | 39.1 | 0 | 0 | 0 | 113.2 | W621 L764 V766 V769 | W621-P748 HydrophobicContact CD2-CB 4.04Å; W621-P748 HydrophobicContact CD2-CG 4.28Å; W621-P748 HydrophobicContact CE3-CB 3.91Å; W621-P748 HydrophobicContact CH2-CB 3.6Å; W621-P748 HydrophobicContact CH2-CG 4.19Å; W621-P748 HydrophobicContact CZ2-CB 3.71Å; W621-P748 HydrophobicContact CZ2-CG 3.78Å; W621-P748 HydrophobicContact CZ3-CB 3.69Å; P748-L764 HydrophobicContact CB-CB 4.05Å; P748-L764 PolarHBondContact O-N 2.9Å; P748-V766 HydrophobicContact CB-CG2 3.93Å; P748-V766 HydrophobicContact CG-CB 4.42Å; P748-V766 HydrophobicContact CG-CG2 4.07Å; P748-V769 HydrophobicContact CG-CB 4.47Å; P748-V769 HydrophobicContact CG-CG1 3.85Å |
| 749 | T | 96.1 | Very high | 92 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 151.1 | 177.2 | 62.7 | 0 | 0 | 0 | 0 | 112.3 | F735 A736 T738 L740 G747 W751 Y762 | F735-T749 WeakPolarHBondContact CA-O 3.33Å; A736-T749 PolarHBondContact N-O 3.33Å; A736-T749 WeakPolarHBondContact O-CA 3.12Å; A736-T749 PolarHBondContact O-N 3.25Å; A736-T749 PolarHBondContact O-OG1 3.05Å; T738-T749 HydrophobicContact CG2-CG2 4.31Å; L740-T749 HydrophobicContact CB-CG2 3.95Å; L740-T749 HydrophobicContact CD2-CG2 3.8Å; L740-T749 HydrophobicContact CG-CG2 4.49Å; G747-T749 PolarHBondContact O-N 3.33Å; T749-W751 PolarHBondContact OG1-NE1 2.93Å; T749-Y762 CarbonylContact C-O 3.59Å; T749-Y762 WeakPolarHBondContact CA-O 3.27Å; T749-Y762 VanDerWaalsContact CB-O 3.26Å; T749-Y762 WeakPolarHBondContact CB-O 3.36Å |
| 750 | L | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 129.9 | 168.1 | 173.3 | 65.6 | 0 | 0 | 0 | 109.8 | A625 F632 L634 L733 F735 A761 Y762 L764 | A625-L750 HydrophobicContact CB-CD1 3.67Å; A625-L750 HydrophobicContact CB-CD2 4.07Å; F632-L750 HydrophobicContact CE2-CD2 4.49Å; L634-L750 HydrophobicContact CB-CD2 4.24Å; L634-L750 HydrophobicContact CD1-CD2 4.26Å; L634-L750 HydrophobicContact CD2-CD2 4.28Å; L733-L750 HydrophobicContact CD2-CD1 4.38Å; F735-L750 HydrophobicContact CD1-CB 4.22Å; F735-L750 HydrophobicContact CD1-CD1 4.03Å; F735-L750 HydrophobicContact CE1-CB 4.17Å; F735-L750 HydrophobicContact CE1-CD1 3.88Å; F735-L750 HydrophobicContact CE1-CG 4.47Å; F735-L750 HydrophobicContact CG-CD1 4.47Å; F735-L750 HydrophobicContact CZ-CD1 4.19Å; L750-A761 WeakPolarHBondContact O-CA 3.49Å; L750-Y762 PolarHBondContact N-O 3.42Å; L750-Y762 PolarHBondContact O-N 3.19Å; L750-L764 HydrophobicContact CB-CD1 4.09Å; L750-L764 HydrophobicContact CB-CD2 4.21Å; L750-L764 HydrophobicContact CB-CG 4.45Å |
| 751 | W | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 129.2 | 176.9 | -61.4 | 73.6 | 0 | 0 | 0 | 110.1 | L733 C734 T738 L740 T749 V759 Y760 A761 I795 I806 I808 V838 L851 | L733-W751 CarbonylContact C-O 3.59Å; L733-W751 WeakPolarHBondContact CA-O 3.43Å; C734-W751 HydrophobicContact CB-CB 4.33Å; C734-W751 PolarHBondContact N-O 2.88Å; C734-W751 PolarHBondContact O-N 3.11Å; T738-W751 HydrophobicContact CG2-CZ2 4.31Å; L740-W751 HydrophobicContact CD1-CH2 4.03Å; L740-W751 HydrophobicContact CD1-CZ2 3.96Å; T749-W751 PolarHBondContact OG1-NE1 2.93Å; W751-V759 HydrophobicContact CE3-CG1 4Å; W751-Y760 CarbonylContact C-O 3.57Å; W751-Y760 VanDerWaalsContact CA-O 3.31Å; W751-Y760 WeakPolarHBondContact CA-O 3.33Å; W751-A761 HydrophobicContact CD2-CB 3.8Å; W751-A761 HydrophobicContact CE3-CB 3.64Å; W751-A761 HydrophobicContact CH2-CB 3.83Å; W751-A761 HydrophobicContact CZ2-CB 4Å; W751-A761 HydrophobicContact CZ3-CB 3.66Å; W751-I795 HydrophobicContact CZ3-CD1 3.87Å; W751-I806 HydrophobicContact CB-CD1 4.22Å; W751-I806 HydrophobicContact CB-CG2 4.06Å; W751-I806 HydrophobicContact CD2-CG2 4.49Å; W751-I806 HydrophobicContact CE3-CG2 4.37Å; W751-I806 HydrophobicContact CG-CG2 4.37Å; W751-I808 HydrophobicContact CD2-CD1 4.27Å; W751-I808 HydrophobicContact CZ2-CD1 4.05Å; W751-V838 HydrophobicContact CE3-CG2 4.24Å; W751-V838 HydrophobicContact CH2-CB 4.4Å; W751-V838 HydrophobicContact CH2-CG1 4.34Å; W751-V838 HydrophobicContact CH2-CG2 4.48Å; W751-V838 HydrophobicContact CZ3-CB 4.39Å; W751-V838 HydrophobicContact CZ3-CG1 4.29Å; W751-V838 HydrophobicContact CZ3-CG2 4.04Å; W751-L851 HydrophobicContact CH2-CD2 3.79Å; W751-L851 HydrophobicContact CZ2-CD1 4.41Å; W751-L851 HydrophobicContact CZ2-CD2 4.28Å |
| 752 | A | 98.1 | Very high | 93 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 126.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | F632 L733 V759 Y760 | F632-A752 HydrophobicContact CD1-CB 4.07Å; F632-A752 HydrophobicContact CD2-CB 4.16Å; F632-A752 HydrophobicContact CE1-CB 3.83Å; F632-A752 HydrophobicContact CE2-CB 3.93Å; F632-A752 HydrophobicContact CG-CB 4.23Å; F632-A752 HydrophobicContact CZ-CB 3.75Å; L733-A752 HydrophobicContact CD2-CB 3.56Å; A752-V759 CarbonylContact O-C 3.56Å; A752-V759 VanDerWaalsContact O-CA 3.3Å; A752-V759 WeakPolarHBondContact O-CA 3.35Å; A752-Y760 PolarHBondContact N-O 2.97Å; A752-Y760 PolarHBondContact O-N 3.39Å |
| 753 | G | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 135.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R731 C732 | R731-G753 PolarHBondContact N-O 3.29Å; C732-G753 PolarHBondContact N-O 3.03Å; C732-G753 PolarHBondContact O-N 3.02Å |
| 754 | T | 95.8 | Very high | 94.2 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 169.4 | -174.1 | 57.9 | 0 | 0 | 0 | 0 | 113.4 | T648 V729 S756 G757 S758 Y760 V803 | T648-T754 HydrophobicContact CG2-CG2 4.27Å; V729-T754 CarbonylContact O-C 3.53Å; V729-T754 WeakPolarHBondContact O-CA 3.36Å; T754-S756 PolarHBondContact OG1-OG 2.64Å; T754-G757 PolarHBondContact O-N 3.36Å; T754-S758 PolarHBondContact N-O 3.4Å; T754-S758 WeakPolarHBondContact OG1-CA 3.13Å; T754-S758 VanDerWaalsContact OG1-CB 3.27Å; T754-S758 WeakPolarHBondContact OG1-CB 3.44Å; T754-S758 PolarHBondContact OG1-N 2.66Å; T754-S758 PolarHBondContact OG1-O 3.26Å; T754-Y760 HydrophobicContact CG2-CD2 4.39Å; T754-Y760 HydrophobicContact CG2-CE2 3.94Å; T754-V803 PolarHBondContact O-N 2.8Å |
| 755 | N | 93.3 | Very high | 94.6 | Very high | 14 Ų | 14 | 21.3 Ų | 21.3 | 8% | 0.075 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -27.7 | 177.2 | -160.2 | 66 | 0 | 0 | 0 | 112.9 | L726 V729 R731 G757 P802 | L726-N755 VanDerWaalsContact O-CB 3.24Å; L726-N755 WeakPolarHBondContact O-CB 3.41Å; L726-N755 PolarHBondContact O-ND2 2.71Å; V729-N755 HydrophobicContact CB-CB 3.95Å; V729-N755 WeakPolarHBondContact O-CB 3.35Å; V729-N755 PolarHBondContact O-N 3.12Å; R731-N755 HydrophobicContact CG-CB 4.1Å; R731-N755 PolarHBondContact NH1-OD1 2.96Å; N755-G757 PolarHBondContact O-N 2.89Å; N755-P802 VanDerWaalsContact O-CA 3.26Å; N755-P802 WeakPolarHBondContact O-CA 3.38Å; N755-P802 WeakPolarHBondContact O-CD 3.11Å; N755-P802 VanDerWaalsContact O-CG 3.31Å; N755-P802 WeakPolarHBondContact O-CG 3.43Å; N755-P802 WeakPolarHBondContact OD1-CB 3.23Å; N755-P802 WeakPolarHBondContact OD1-CG 3.37Å |
| 756 | S | 90.2 | Very high | 94.6 | Very high | 30 Ų | 30 | 15.9 Ų | 15.9 | 21% | 0.21 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -2.1 | 169.2 | 56.2 | 0 | 0 | 0 | 0 | 114.9 | S727 T754 S758 Q796 R800 | S727-S756 WeakPolarHBondContact O-CB 3.27Å; S727-S756 PolarHBondContact O-N 2.88Å; S727-S756 PolarHBondContact O-OG 2.78Å; T754-S756 PolarHBondContact OG1-OG 2.64Å; S756-S758 VanDerWaalsContact C-N 3.29Å; S756-S758 PolarHBondContact O-N 2.95Å; S756-S758 PolarHBondContact OG-OG 3.45Å; S756-Q796 PolarHBondContact O-NE2 2.81Å; S756-R800 VanDerWaalsContact O-CA 3.29Å; S756-R800 WeakPolarHBondContact O-CA 3.28Å; S756-R800 WeakPolarHBondContact O-CB 3.37Å |
| 757 | G | 92.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 14.1 Ų | 14.1 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | 73.2 | 19.8 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | T754 N755 Q796 L797 A801 | T754-G757 PolarHBondContact O-N 3.36Å; N755-G757 PolarHBondContact O-N 2.89Å; G757-Q796 PolarHBondContact O-NE2 2.61Å; G757-L797 VanDerWaalsContact O-CB 3.23Å; G757-L797 WeakPolarHBondContact O-CB 3.42Å; G757-L797 VanDerWaalsContact O-CG 3.25Å; G757-L797 WeakPolarHBondContact O-CG 3.43Å; G757-L797 PolarHBondContact O-N 2.85Å; G757-A801 WeakPolarHBondContact CA-O 3.41Å |
| 758 | S | 95 | Very high | 93 | Very high | 8 Ų | 8 | 16.7 Ų | 16.7 | 6% | 0.056 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 139.8 | 172.1 | -38.7 | 0 | 0 | 0 | 0 | 109.7 | T754 S756 Q796 | T754-S758 PolarHBondContact N-O 3.4Å; T754-S758 WeakPolarHBondContact OG1-CA 3.13Å; T754-S758 VanDerWaalsContact OG1-CB 3.27Å; T754-S758 WeakPolarHBondContact OG1-CB 3.44Å; T754-S758 PolarHBondContact OG1-N 2.66Å; T754-S758 PolarHBondContact OG1-O 3.26Å; S756-S758 VanDerWaalsContact C-N 3.29Å; S756-S758 PolarHBondContact O-N 2.95Å; S756-S758 PolarHBondContact OG-OG 3.45Å; S758-Q796 PolarHBondContact OG-OE1 2.86Å |
| 759 | V | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 122.5 | 173.5 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | W751 A752 E794 I795 V803 I806 I840 | W751-V759 HydrophobicContact CE3-CG1 4Å; A752-V759 CarbonylContact O-C 3.56Å; A752-V759 VanDerWaalsContact O-CA 3.3Å; A752-V759 WeakPolarHBondContact O-CA 3.35Å; V759-E794 CarbonylContact O-C 3.55Å; V759-E794 WeakPolarHBondContact O-CA 3.1Å; V759-I795 HydrophobicContact CB-CB 4.26Å; V759-I795 HydrophobicContact CG1-CD1 4.4Å; V759-I795 PolarHBondContact N-O 3.43Å; V759-I795 PolarHBondContact O-N 2.96Å; V759-V803 HydrophobicContact CG2-CG1 4.28Å; V759-V803 HydrophobicContact CG2-CG2 3.7Å; V759-I806 HydrophobicContact CB-CD1 4.47Å; V759-I806 HydrophobicContact CG1-CD1 3.64Å; V759-I806 HydrophobicContact CG2-CD1 4.01Å; V759-I840 HydrophobicContact CG2-CD1 4.2Å; V759-I840 HydrophobicContact CG2-CG2 4.2Å |
| 760 | Y | 97.1 | Very high | 89.3 | Confident | 23 Ų | 23 | 22.7 Ų | 22.7 | 9% | 0.09 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 139.1 | 174.4 | -59.1 | -83.9 | 0 | 0 | 0 | 109.8 | F632 T648 W751 A752 T754 L791 E794 | F632-Y760 HydrophobicContact CE1-CD2 4.12Å; F632-Y760 HydrophobicContact CE1-CG 4.49Å; F632-Y760 HydrophobicContact CZ-CD2 4.44Å; F632-Y760 HydrophobicContact CZ-CG 4.37Å; T648-Y760 HydrophobicContact CG2-CE2 4.18Å; W751-Y760 CarbonylContact C-O 3.57Å; W751-Y760 VanDerWaalsContact CA-O 3.31Å; W751-Y760 WeakPolarHBondContact CA-O 3.33Å; A752-Y760 PolarHBondContact N-O 2.97Å; A752-Y760 PolarHBondContact O-N 3.39Å; T754-Y760 HydrophobicContact CG2-CD2 4.39Å; T754-Y760 HydrophobicContact CG2-CE2 3.94Å; Y760-L791 HydrophobicContact CD1-CD1 4.24Å; Y760-E794 HydrophobicContact CD1-CB 4.38Å; Y760-E794 HydrophobicContact CD1-CG 4.06Å; Y760-E794 HydrophobicContact CE1-CB 4.4Å; Y760-E794 HydrophobicContact CE1-CG 3.69Å; Y760-E794 WeakPolarHBondContact CE1-OE1 3.3Å; Y760-E794 VanDerWaalsContact CZ-OE1 3.25Å; Y760-E794 PolarHBondContact OH-OE1 2.97Å |
| 761 | A | 97.3 | Very high | 86.6 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 117.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | L740 L750 W751 G792 K793 | L740-A761 HydrophobicContact CD1-CB 3.84Å; L740-A761 HydrophobicContact CD2-CB 4.05Å; L750-A761 WeakPolarHBondContact O-CA 3.49Å; W751-A761 HydrophobicContact CD2-CB 3.8Å; W751-A761 HydrophobicContact CE3-CB 3.64Å; W751-A761 HydrophobicContact CH2-CB 3.83Å; W751-A761 HydrophobicContact CZ2-CB 4Å; W751-A761 HydrophobicContact CZ3-CB 3.66Å; A761-G792 WeakPolarHBondContact O-CA 3.13Å; A761-G792 PolarHBondContact O-N 3Å; A761-K793 HydrophobicContact CB-CB 4.21Å; A761-K793 PolarHBondContact N-O 2.87Å; A761-K793 PolarHBondContact O-N 2.79Å; A761-K793 VanDerWaalsContact O-N 3.07Å |
| 762 | Y | 97.3 | Very high | 83.6 | Confident | 9 Ų | 9 | 30.6 Ų | 30.6 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136.8 | 177.5 | -72.4 | -107 | 0 | 0 | 0 | 109.9 | F632 L644 T749 L750 A789 V790 L791 | F632-Y762 HydrophobicContact CE2-CE2 4.08Å; F632-Y762 AromaticContact CZ-CE2 3.86Å; F632-Y762 HydrophobicContact CZ-CE2 3.86Å; L644-Y762 HydrophobicContact CD1-CE1 3.99Å; L644-Y762 HydrophobicContact CD2-CD1 3.94Å; L644-Y762 HydrophobicContact CD2-CD2 4.33Å; L644-Y762 HydrophobicContact CD2-CE1 3.57Å; L644-Y762 HydrophobicContact CD2-CE2 4.01Å; L644-Y762 HydrophobicContact CD2-CG 4.32Å; L644-Y762 HydrophobicContact CG-CE1 4.45Å; T749-Y762 CarbonylContact C-O 3.59Å; T749-Y762 WeakPolarHBondContact CA-O 3.27Å; T749-Y762 VanDerWaalsContact CB-O 3.26Å; T749-Y762 WeakPolarHBondContact CB-O 3.36Å; L750-Y762 PolarHBondContact N-O 3.42Å; L750-Y762 PolarHBondContact O-N 3.19Å; Y762-A789 HydrophobicContact CD1-CB 4.24Å; Y762-V790 CarbonylContact C-O 3.49Å; Y762-V790 WeakPolarHBondContact CA-O 3.33Å; Y762-L791 HydrophobicContact CD1-CB 4.14Å; Y762-L791 HydrophobicContact CD2-CD1 4.08Å; Y762-L791 HydrophobicContact CE1-CB 3.8Å; Y762-L791 HydrophobicContact CE1-CD1 4.39Å; Y762-L791 HydrophobicContact CE2-CD1 3.71Å |
| 763 | A | 95.6 | Very high | 80.7 | Confident | 11 Ų | 11 | 43.1 Ų | 43.1 | 9% | 0.091 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 135.7 | 161 | 0 | 0 | 0 | 0 | 0 | 108.3 | L740 V790 | L740-A763 HydrophobicContact CD2-CB 4.22Å; A763-V790 PolarHBondContact N-O 2.95Å; A763-V790 PolarHBondContact O-N 2.92Å |
| 764 | L | 94.7 | Very high | 77.7 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.031 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 127.5 | -179.1 | -45.9 | 176.3 | 0 | 0 | 0 | 109.1 | W621 L623 L634 F735 P748 L750 V766 E788 A789 | W621-L764 HydrophobicContact CE3-CD1 4.46Å; W621-L764 HydrophobicContact CZ3-CD1 4.45Å; L623-L764 HydrophobicContact CD1-CD1 3.85Å; L634-L764 HydrophobicContact CD2-CD1 4.19Å; L634-L764 HydrophobicContact CD2-CD2 3.55Å; L634-L764 HydrophobicContact CD2-CG 4.5Å; F735-L764 HydrophobicContact CD1-CD1 4.07Å; F735-L764 HydrophobicContact CE1-CD1 3.9Å; P748-L764 HydrophobicContact CB-CB 4.05Å; P748-L764 PolarHBondContact O-N 2.9Å; L750-L764 HydrophobicContact CB-CD1 4.09Å; L750-L764 HydrophobicContact CB-CD2 4.21Å; L750-L764 HydrophobicContact CB-CG 4.45Å; L764-V766 HydrophobicContact CB-CG2 4.06Å; L764-E788 CarbonylContact C-O 3.19Å; L764-E788 WeakPolarHBondContact CA-O 3.37Å; L764-A789 HydrophobicContact CD2-CB 3.63Å |
| 765 | E | 91.5 | Very high | 74.8 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 92.6 | 179 | -59.9 | -167.8 | -162.9 | 0 | 0 | 107.3 | R741 V787 E788 | R741-E765 IonicContact CZ-OE1 2.73Å; R741-E765 IonicContact NH1-OE1 3.46Å; R741-E765 PolarHBondContact NH1-OE1 3Å; R741-E765 IonicContact NH2-OE1 3.94Å; R741-E765 PolarHBondContact NH2-OE1 2.85Å; E765-V787 WeakPolarHBondContact O-CA 3.25Å; E765-E788 PolarHBondContact N-O 2.77Å; E765-E788 PolarHBondContact O-N 3.41Å |
| 766 | V | 86.5 | Confident | 72.1 | Confident | 15 Ų | 15 | 59.1 Ų | 59.1 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | trans | -98 | 116.5 | -170.9 | -177.7 | 0 | 0 | 0 | 0 | 109.9 | W621 L623 P748 L764 G768 V769 V787 | W621-V766 HydrophobicContact CB-CG1 4.08Å; W621-V766 HydrophobicContact CB-CG2 4.44Å; W621-V766 HydrophobicContact CG-CG1 4.35Å; W621-V766 HydrophobicContact CG-CG2 4.44Å; L623-V766 HydrophobicContact CD1-CG2 4.27Å; P748-V766 HydrophobicContact CB-CG2 3.93Å; P748-V766 HydrophobicContact CG-CB 4.42Å; P748-V766 HydrophobicContact CG-CG2 4.07Å; L764-V766 HydrophobicContact CB-CG2 4.06Å; V766-G768 PolarHBondContact O-N 2.91Å; V766-V769 HydrophobicContact CB-CB 4.22Å; V766-V769 HydrophobicContact CB-CG2 4.16Å; V766-V769 HydrophobicContact CG1-CB 4.36Å; V766-V769 HydrophobicContact CG1-CG2 3.76Å; V766-V769 PolarHBondContact O-N 3.19Å; V766-V769 VanDerWaalsContact O-N 3.14Å; V766-V787 HydrophobicContact CG1-CG2 4.42Å; V766-V787 HydrophobicContact CG2-CG1 4.05Å | ||
| 767 | P | 80.4 | Confident | 69.5 | Low | 52 Ų | 52 | 68.1 Ų | 68.1 | 34% | 0.338 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | 131.4 | -179.9 | -26.8 | 35.2 | 0 | 0 | 0 | 112.8 | V769 T785 | P767-V769 VanDerWaalsContact C-N 3.33Å; P767-V769 PolarHBondContact O-N 2.93Å; P767-T785 WeakPolarHBondContact CG-O 3.48Å |
| 768 | G | 67.4 | Low | 66.9 | Low | 74 Ų | 74 | 72.3 Ų | 72.3 | 76% | 0.763 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -10.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | V766 | V766-G768 PolarHBondContact O-N 2.91Š|
| 769 | V | 63.7 | Low | 63.9 | Low | 60 Ų | 60 | 74.4 Ų | 74.4 | 36% | 0.364 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -100 | 114.7 | 177.4 | -176 | 0 | 0 | 0 | 0 | 109.8 | P748 V766 P767 | P748-V769 HydrophobicContact CG-CB 4.47Å; P748-V769 HydrophobicContact CG-CG1 3.85Å; V766-V769 HydrophobicContact CB-CB 4.22Å; V766-V769 HydrophobicContact CB-CG2 4.16Å; V766-V769 HydrophobicContact CG1-CB 4.36Å; V766-V769 HydrophobicContact CG1-CG2 3.76Å; V766-V769 PolarHBondContact O-N 3.19Å; V766-V769 VanDerWaalsContact O-N 3.14Å; P767-V769 VanDerWaalsContact C-N 3.33Å; P767-V769 PolarHBondContact O-N 2.93Å |
| 770 | G | 49.5 | Very low | 61 | Low | 79 Ų | 79 | 80 Ų | 80 | 81% | 0.814 | 52% | 0.518 | S | S | * | . | S | Bend | trans | 114.9 | -19.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | G772 | G770-G772 PolarHBondContact O-N 3.41Š|
| 771 | S | 40.3 | Very low | 58.1 | Low | 97 Ų | 97 | 86.2 Ų | 86.2 | 68% | 0.678 | 55% | 0.552 | S | S | * | * | trans | -75.7 | 84.5 | 177.6 | -61.6 | 0 | 0 | 0 | 0 | 112.3 | R773 | S771-R773 PolarHBondContact O-N 2.97Š| ||
| 772 | G | 35.8 | Very low | 55.5 | Low | 69 Ų | 69 | 94.1 Ų | 94.1 | 71% | 0.711 | 59% | 0.589 | S | S | * | * | trans | -61.8 | 105.3 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G770 A774 | G770-G772 PolarHBondContact O-N 3.41Å; G772-A774 VanDerWaalsContact C-N 3.3Å; G772-A774 PolarHBondContact O-N 3.18Å | ||
| 773 | R | 36.6 | Very low | 53 | Low | 264 Ų | 264 | 96.7 Ų | 96.7 | 100% | 0.996 | 62% | 0.618 | S | S | * | * | S | Bend | trans | 44.6 | 41.3 | 164.9 | -69 | -172.2 | 173 | -178.4 | -1.2 | 116.1 | S771 | S771-R773 PolarHBondContact O-N 2.97Š|
| 774 | A | 33.2 | Very low | 50.9 | Low | 81 Ų | 81 | 99.1 Ų | 99.1 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | trans | -125.9 | 24.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | G772 E776 | G772-A774 VanDerWaalsContact C-N 3.3Å; G772-A774 PolarHBondContact O-N 3.18Å; A774-E776 PolarHBondContact O-N 2.95Å | ||
| 775 | C | 35.2 | Very low | 49.6 | Very low | 125 Ų | 125 | 103 Ų | 103 | 85% | 0.845 | 67% | 0.669 | S | S | * | * | trans | -77.1 | 66 | 169.5 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 776 | E | 36.8 | Very low | 49 | Very low | 145 Ų | 145 | 101.4 Ų | 101.4 | 68% | 0.678 | 67% | 0.668 | S | S | * | * | trans | -117.1 | 130.2 | 158.3 | -107.9 | -156.4 | -137.9 | 0 | 0 | 109.6 | A774 | A774-E776 PolarHBondContact O-N 2.95Š| ||
| 777 | R | 36.6 | Very low | 49.2 | Very low | 220 Ų | 220 | 101.3 Ų | 101.3 | 83% | 0.83 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 73.8 | 65.6 | 165.9 | -52.6 | 170 | -163.4 | -139.2 | -2.3 | 117.5 | ||
| 778 | G | 37.5 | Very low | 49.7 | Very low | 87 Ų | 87 | 104.7 Ų | 104.7 | 90% | 0.897 | 68% | 0.678 | S | S | * | * | 69.5 | 100.3 | 108.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 779 | G | 31 | Very low | 51 | Low | 53 Ų | 53 | 102.3 Ų | 102.3 | 55% | 0.546 | 65% | 0.651 | S | S | . | * | trans | -147.8 | 128.6 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | N781 | G779-N781 PolarHBondContact O-N 3.19Š| ||
| 780 | A | 36.6 | Very low | 52.5 | Low | 117 Ų | 117 | 102.4 Ų | 102.4 | 97% | 0.967 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 50.1 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 781 | N | 37.3 | Very low | 54.7 | Low | 153 Ų | 153 | 102.1 Ų | 102.1 | 82% | 0.818 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140 | 9.2 | -170.6 | -148.4 | 32.1 | 0 | 0 | 0 | 115 | G779 G783 | G779-N781 PolarHBondContact O-N 3.19Å; N781-G783 VanDerWaalsContact C-N 3.27Å; N781-G783 PolarHBondContact O-N 2.75Å |
| 782 | E | 42.5 | Very low | 57.2 | Low | 166 Ų | 166 | 98.8 Ų | 98.8 | 78% | 0.776 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -2 | -174.5 | -64.4 | -174.6 | 134.1 | 0 | 0 | 115.1 | G784 | E782-G784 VanDerWaalsContact C-N 3.33Å; E782-G784 PolarHBondContact O-N 2.92Å |
| 783 | G | 44.1 | Very low | 59.9 | Low | 63 Ų | 63 | 98.9 Ų | 98.9 | 65% | 0.649 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -22.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | R639 N781 | R639-G783 PolarHBondContact NH1-O 2.9Å; R639-G783 VanDerWaalsContact NH1-O 3.12Å; N781-G783 VanDerWaalsContact C-N 3.27Å; N781-G783 PolarHBondContact O-N 2.75Å |
| 784 | G | 51.5 | Low | 62.7 | Low | 63 Ų | 63 | 91.4 Ų | 91.4 | 65% | 0.649 | 57% | 0.569 | S | S | * | * | trans | -92.5 | -17.5 | -160.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | E782 C786 | E782-G784 VanDerWaalsContact C-N 3.33Å; E782-G784 PolarHBondContact O-N 2.92Å; G784-C786 PolarHBondContact O-N 3.24Å | ||
| 785 | T | 67.1 | Low | 65.7 | Low | 87 Ų | 87 | 88.4 Ų | 88.4 | 53% | 0.534 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -74.5 | 121.3 | -174.5 | 37.5 | 0 | 0 | 0 | 0 | 112.1 | R639 P767 | R639-T785 PolarHBondContact NE-O 3.19Å; R639-T785 PolarHBondContact NH2-O 3.23Å; P767-T785 WeakPolarHBondContact CG-O 3.48Å |
| 786 | C | 79.9 | Confident | 68.5 | Low | 60 Ų | 60 | 86.6 Ų | 86.6 | 41% | 0.405 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -86.9 | 170.2 | 170.8 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | G784 | G784-C786 PolarHBondContact O-N 3.24Š|
| 787 | V | 89.9 | Confident | 71.2 | Confident | 12 Ų | 12 | 79.9 Ų | 79.9 | 7% | 0.073 | 49% | 0.49 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 133 | 166.1 | -177.6 | 0 | 0 | 0 | 0 | 108.7 | L623 V643 E765 V766 | L623-V787 HydrophobicContact CD1-CG1 4.26Å; L623-V787 HydrophobicContact CD2-CG1 4.29Å; L623-V787 HydrophobicContact CD2-CG2 4.3Å; V643-V787 HydrophobicContact CG1-CB 4.34Å; V643-V787 HydrophobicContact CG1-CG1 4.06Å; V643-V787 WeakPolarHBondContact CG1-O 3.44Å; V643-V787 HydrophobicContact CG2-CB 4.05Å; V643-V787 HydrophobicContact CG2-CG1 4.43Å; E765-V787 WeakPolarHBondContact O-CA 3.25Å; V766-V787 HydrophobicContact CG1-CG2 4.42Å; V766-V787 HydrophobicContact CG2-CG1 4.05Å |
| 788 | E | 91.8 | Very high | 73.8 | Confident | 124 Ų | 124 | 77.7 Ų | 77.7 | 58% | 0.579 | 49% | 0.491 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 152.3 | 172.3 | -66 | -170 | -167.8 | 0 | 0 | 111.5 | L764 E765 | L764-E788 CarbonylContact C-O 3.19Å; L764-E788 WeakPolarHBondContact CA-O 3.37Å; E765-E788 PolarHBondContact N-O 2.77Å; E765-E788 PolarHBondContact O-N 3.41Å |
| 789 | A | 94.7 | Very high | 76.2 | Confident | 24 Ų | 24 | 73.9 Ų | 73.9 | 20% | 0.198 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 111.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L634 V643 L644 Y762 L764 | L634-A789 HydrophobicContact CD2-CB 4.15Å; V643-A789 HydrophobicContact CG1-CB 3.84Å; L644-A789 HydrophobicContact CB-CB 4.48Å; Y762-A789 HydrophobicContact CD1-CB 4.24Å; L764-A789 HydrophobicContact CD2-CB 3.63Å |
| 790 | V | 95 | Very high | 79.1 | Confident | 62 Ų | 62 | 76.1 Ų | 76.1 | 38% | 0.376 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 123.6 | -175.4 | -177 | 0 | 0 | 0 | 0 | 110.4 | Y762 A763 G792 | Y762-V790 CarbonylContact C-O 3.49Å; Y762-V790 WeakPolarHBondContact CA-O 3.33Å; A763-V790 PolarHBondContact N-O 2.95Å; A763-V790 PolarHBondContact O-N 2.92Å; V790-G792 PolarHBondContact O-N 2.9Å; V790-G792 VanDerWaalsContact O-N 3.15Å |
| 791 | L | 95.2 | Very high | 81.7 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 38% | 0.377 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 114.4 | 177.4 | 179.6 | 63.3 | 0 | 0 | 0 | 110.6 | Y760 Y762 K793 | Y760-L791 HydrophobicContact CD1-CD1 4.24Å; Y762-L791 HydrophobicContact CD1-CB 4.14Å; Y762-L791 HydrophobicContact CD2-CD1 4.08Å; Y762-L791 HydrophobicContact CE1-CB 3.8Å; Y762-L791 HydrophobicContact CE1-CD1 4.39Å; Y762-L791 HydrophobicContact CE2-CD1 3.71Å; L791-K793 WeakPolarHBondContact CD1-O 3.41Å |
| 792 | G | 92.4 | Very high | 84.4 | Confident | 27 Ų | 27 | 63.2 Ų | 63.2 | 28% | 0.278 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | -35.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | A761 V790 | A761-G792 WeakPolarHBondContact O-CA 3.13Å; A761-G792 PolarHBondContact O-N 3Å; V790-G792 PolarHBondContact O-N 2.9Å; V790-G792 VanDerWaalsContact O-N 3.15Å |
| 793 | K | 94.2 | Very high | 87 | Confident | 71 Ų | 71 | 55.3 Ų | 55.3 | 31% | 0.309 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 147.9 | 174.3 | -54.9 | -69.2 | 168.3 | -153.9 | 0 | 111.4 | L740 A761 L791 I795 P852 V854 | L740-K793 HydrophobicContact CD1-CB 4.37Å; L740-K793 HydrophobicContact CD1-CG 3.59Å; L740-K793 WeakPolarHBondContact O-CE 3.26Å; A761-K793 HydrophobicContact CB-CB 4.21Å; A761-K793 PolarHBondContact N-O 2.87Å; A761-K793 PolarHBondContact O-N 2.79Å; A761-K793 VanDerWaalsContact O-N 3.07Å; L791-K793 WeakPolarHBondContact CD1-O 3.41Å; K793-I795 HydrophobicContact CB-CG1 4.27Å; K793-P852 WeakPolarHBondContact CE-O 3.37Å; K793-V854 HydrophobicContact CD-CG2 4.14Å; K793-V854 HydrophobicContact CG-CG2 4.05Å |
| 794 | E | 94.7 | Very high | 89.5 | Confident | 108 Ų | 108 | 53.4 Ų | 53.4 | 51% | 0.505 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.8 | 159.6 | -179.6 | 169.6 | -170.6 | 0 | 0 | 108 | V759 Y760 | V759-E794 CarbonylContact O-C 3.55Å; V759-E794 WeakPolarHBondContact O-CA 3.1Å; Y760-E794 HydrophobicContact CD1-CB 4.38Å; Y760-E794 HydrophobicContact CD1-CG 4.06Å; Y760-E794 HydrophobicContact CE1-CB 4.4Å; Y760-E794 HydrophobicContact CE1-CG 3.69Å; Y760-E794 WeakPolarHBondContact CE1-OE1 3.3Å; Y760-E794 VanDerWaalsContact CZ-OE1 3.25Å; Y760-E794 PolarHBondContact OH-OE1 2.97Å |
| 795 | I | 95 | Very high | 91.6 | Very high | 17 Ų | 17 | 51.7 Ų | 51.7 | 9% | 0.087 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 104.7 | -169.7 | -49.8 | 163.8 | 0 | 0 | 0 | 108.5 | W751 V759 K793 I840 V854 | W751-I795 HydrophobicContact CZ3-CD1 3.87Å; V759-I795 HydrophobicContact CB-CB 4.26Å; V759-I795 HydrophobicContact CG1-CD1 4.4Å; V759-I795 PolarHBondContact N-O 3.43Å; V759-I795 PolarHBondContact O-N 2.96Å; K793-I795 HydrophobicContact CB-CG1 4.27Å; I795-I840 HydrophobicContact CD1-CD1 4.46Å; I795-V854 HydrophobicContact CD1-CG1 3.61Å; I795-V854 HydrophobicContact CD1-CG2 4.35Å; I795-V854 HydrophobicContact CG1-CG1 4Å; I795-V854 HydrophobicContact CG2-CG1 4.26Å |
| 796 | Q | 94.9 | Very high | 93.1 | Very high | 87 Ų | 87 | 47.9 Ų | 47.9 | 41% | 0.407 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 120.6 | 175.2 | -176.6 | 56.8 | 54.1 | 0 | 0 | 111.5 | S756 G757 S758 M798 | S756-Q796 PolarHBondContact O-NE2 2.81Å; G757-Q796 PolarHBondContact O-NE2 2.61Å; S758-Q796 PolarHBondContact OG-OE1 2.86Å; Q796-M798 PolarHBondContact O-N 2.89Å |
| 797 | L | 93.5 | Very high | 93.9 | Very high | 4 Ų | 4 | 46.3 Ų | 46.3 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | trans | -72.3 | 122.2 | 169.3 | -63 | -179.1 | 0 | 0 | 0 | 110 | G757 H799 R800 V803 I840 K847 F849 | G757-L797 VanDerWaalsContact O-CB 3.23Å; G757-L797 WeakPolarHBondContact O-CB 3.42Å; G757-L797 VanDerWaalsContact O-CG 3.25Å; G757-L797 WeakPolarHBondContact O-CG 3.43Å; G757-L797 PolarHBondContact O-N 2.85Å; L797-H799 PolarHBondContact O-N 3.34Å; L797-R800 PolarHBondContact O-N 2.92Å; L797-V803 HydrophobicContact CD1-CG2 4.17Å; L797-I840 HydrophobicContact CD1-CG2 4.11Å; L797-K847 HydrophobicContact CD2-CD 4Å; L797-F849 HydrophobicContact CD2-CZ 4.23Å | ||
| 798 | M | 91 | Very high | 94.2 | Very high | 174 Ų | 174 | 46 Ų | 46 | 86% | 0.857 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -22.3 | -174.5 | -63 | -178 | 77.8 | 0 | 0 | 115.9 | Q796 | Q796-M798 PolarHBondContact O-N 2.89Š|
| 799 | H | 88.6 | Confident | 94.4 | Very high | 8 Ų | 8 | 40.1 Ų | 40.1 | 4% | 0.037 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -5.1 | 178.7 | 51.9 | 89.8 | 0 | 0 | 0 | 112.9 | I717 P719 R720 L797 A801 S842 E844 Q845 K847 | I717-H799 HydrophobicContact CG2-CB 3.95Å; P719-H799 WeakPolarHBondContact CA-O 3.37Å; R720-H799 PolarHBondContact N-O 2.89Å; L797-H799 PolarHBondContact O-N 3.34Å; H799-A801 WeakPolarHBondContact ND1-CB 3.43Å; H799-A801 PolarHBondContact ND1-N 2.89Å; H799-A801 PolarHBondContact O-N 2.96Å; H799-A801 VanDerWaalsContact O-N 3.12Å; H799-S842 PolarHBondContact CE1-OG 3.11Å; H799-S842 VanDerWaalsContact CE1-OG 3.26Å; H799-E844 IonicContact ND1-OE2 3.95Å; H799-Q845 PolarHBondContact CD2-NE2 3.07Å; H799-Q845 VanDerWaalsContact CD2-NE2 3.33Å; H799-Q845 PolarHBondContact CD2-OE1 2.81Å; H799-Q845 VanDerWaalsContact CD2-OE1 3.25Å; H799-Q845 PolarHBondContact NE2-OE1 2.86Å; H799-K847 PolarHBondContact CD2-NZ 2.87Å; H799-K847 PolarHBondContact NE2-NZ 2.84Å |
| 800 | R | 91.3 | Very high | 94.3 | Very high | 99 Ų | 99 | 39.4 Ų | 39.4 | 37% | 0.374 | 20% | 0.202 | S | C | . | . | trans | 52.9 | 32.8 | 177.1 | -64.8 | 170.6 | 167.4 | -179.8 | -5.2 | 114.6 | R720 S756 L797 | R720-R800 HydrophobicContact CB-CB 4.15Å; R720-R800 WeakPolarHBondContact O-CD 3.45Å; R720-R800 PolarHBondContact O-NH1 2.86Å; S756-R800 VanDerWaalsContact O-CA 3.29Å; S756-R800 WeakPolarHBondContact O-CA 3.28Å; S756-R800 WeakPolarHBondContact O-CB 3.37Å; L797-R800 PolarHBondContact O-N 2.92Å | ||
| 801 | A | 91.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 20% | 0.195 | C | C | . | . | P | Polyproline II helix | trans | -86 | 143.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G757 H799 V803 E844 | G757-A801 WeakPolarHBondContact CA-O 3.41Å; H799-A801 WeakPolarHBondContact ND1-CB 3.43Å; H799-A801 PolarHBondContact ND1-N 2.89Å; H799-A801 PolarHBondContact O-N 2.96Å; H799-A801 VanDerWaalsContact O-N 3.12Å; A801-V803 PolarHBondContact O-N 2.91Å; A801-E844 HydrophobicContact CB-CB 4.05Å; A801-E844 HydrophobicContact CB-CG 3.92Å; A801-E844 WeakPolarHBondContact CB-OE1 3.43Å; A801-E844 WeakPolarHBondContact CB-OE2 3.45Å |
| 802 | P | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -53 | 135.3 | -179.4 | -27.8 | 33.3 | 0 | 0 | 0 | 112.8 | N755 S842 E843 | N755-P802 VanDerWaalsContact O-CA 3.26Å; N755-P802 WeakPolarHBondContact O-CA 3.38Å; N755-P802 WeakPolarHBondContact O-CD 3.11Å; N755-P802 VanDerWaalsContact O-CG 3.31Å; N755-P802 WeakPolarHBondContact O-CG 3.43Å; N755-P802 WeakPolarHBondContact OD1-CB 3.23Å; N755-P802 WeakPolarHBondContact OD1-CG 3.37Å; P802-S842 CarbonylContact O-C 3.58Å; P802-S842 WeakPolarHBondContact O-CA 3.34Å; P802-S842 VanDerWaalsContact O-CB 3.27Å; P802-S842 WeakPolarHBondContact O-CB 3.42Å; P802-E843 HydrophobicContact CB-CG 4.03Å; P802-E843 HydrophobicContact CG-CG 4.23Å; P802-E843 PolarHBondContact O-N 2.94Å |
| 803 | V | 96.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128.7 | 170.4 | -168.6 | 0 | 0 | 0 | 0 | 108 | R731 T754 V759 L797 A801 I806 I840 | R731-V803 WeakPolarHBondContact CB-O 3.39Å; T754-V803 PolarHBondContact O-N 2.8Å; V759-V803 HydrophobicContact CG2-CG1 4.28Å; V759-V803 HydrophobicContact CG2-CG2 3.7Å; L797-V803 HydrophobicContact CD1-CG2 4.17Å; A801-V803 PolarHBondContact O-N 2.91Å; V803-I806 HydrophobicContact CG1-CD1 4.27Å; V803-I806 HydrophobicContact CG1-CG1 3.83Å; V803-I840 HydrophobicContact CG1-CG2 3.89Å |
| 804 | V | 95.8 | Very high | 93.5 | Very high | 23 Ų | 23 | 43 Ų | 43 | 14% | 0.139 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | -36.6 | -179.5 | 177.2 | 0 | 0 | 0 | 0 | 110.5 | A841 E843 V870 R871 V873 | V804-A841 PolarHBondContact N-O 3.29Å; V804-E843 HydrophobicContact CG2-CG 3.83Å; V804-V870 HydrophobicContact CB-CG1 4.49Å; V804-V870 HydrophobicContact CG1-CG1 4.26Å; V804-R871 WeakPolarHBondContact CG1-O 3.28Å; V804-V873 HydrophobicContact CG1-CG2 4.27Å |
| 805 | S | 96.6 | Very high | 93.5 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 151.2 | 176.4 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | A841 | S805-A841 PolarHBondContact N-O 2.87Å; S805-A841 PolarHBondContact O-N 3.02Å |
| 806 | I | 97.6 | Very high | 93.4 | Very high | 7 Ų | 7 | 40.4 Ų | 40.4 | 4% | 0.036 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 138.5 | 170.3 | -61.3 | 164.7 | 0 | 0 | 0 | 106.5 | C734 W751 V759 V803 V838 L839 | C734-I806 HydrophobicContact CB-CB 4.44Å; W751-I806 HydrophobicContact CB-CD1 4.22Å; W751-I806 HydrophobicContact CB-CG2 4.06Å; W751-I806 HydrophobicContact CD2-CG2 4.49Å; W751-I806 HydrophobicContact CE3-CG2 4.37Å; W751-I806 HydrophobicContact CG-CG2 4.37Å; V759-I806 HydrophobicContact CB-CD1 4.47Å; V759-I806 HydrophobicContact CG1-CD1 3.64Å; V759-I806 HydrophobicContact CG2-CD1 4.01Å; V803-I806 HydrophobicContact CG1-CD1 4.27Å; V803-I806 HydrophobicContact CG1-CG1 3.83Å; I806-V838 HydrophobicContact CG2-CG2 3.84Å; I806-L839 WeakPolarHBondContact CA-O 3.5Å |
| 807 | S | 96.6 | Very high | 93.2 | Very high | 26 Ų | 26 | 37.9 Ų | 37.9 | 18% | 0.182 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 139.4 | 174.8 | -50.5 | 0 | 0 | 0 | 0 | 110.3 | L839 L875 | S807-L839 PolarHBondContact N-O 2.69Å; S807-L839 PolarHBondContact O-N 3.31Å; S807-L875 VanDerWaalsContact CB-CD1 3.4Å; S807-L875 WeakPolarHBondContact OG-CD1 3.19Å |
| 808 | I | 96.5 | Very high | 92.9 | Very high | 6 Ų | 6 | 41.4 Ų | 41.4 | 3% | 0.031 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 137.2 | 175.7 | -50.9 | -52.5 | 0 | 0 | 0 | 109.3 | A736 T738 W751 P815 L816 H836 V838 L851 | A736-I808 HydrophobicContact CB-CB 4.1Å; A736-I808 HydrophobicContact CB-CG1 3.4Å; T738-I808 HydrophobicContact CG2-CG1 4.44Å; T738-I808 HydrophobicContact CG2-CG2 4.3Å; W751-I808 HydrophobicContact CD2-CD1 4.27Å; W751-I808 HydrophobicContact CZ2-CD1 4.05Å; I808-P815 WeakPolarHBondContact O-CA 3.46Å; I808-L816 HydrophobicContact CB-CD1 3.71Å; I808-L816 HydrophobicContact CB-CG 3.98Å; I808-L816 HydrophobicContact CG1-CD1 4.48Å; I808-L816 HydrophobicContact CG2-CD1 3.71Å; I808-L816 HydrophobicContact CG2-CG 4.01Å; I808-L816 PolarHBondContact O-N 3.32Å; I808-H836 HydrophobicContact CG2-CB 4.49Å; I808-V838 HydrophobicContact CD1-CB 3.66Å; I808-V838 HydrophobicContact CD1-CG2 3.61Å; I808-L851 HydrophobicContact CD1-CD1 4.36Å; I808-L851 HydrophobicContact CG2-CD1 4.19Å |
| 809 | L | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 136.7 | 174.7 | -51 | 179.5 | 0 | 0 | 0 | 109.6 | K814 P815 H836 S837 L839 L875 I905 P906 | L809-K814 CarbonylContact C-O 3.44Å; L809-K814 WeakPolarHBondContact CA-O 3.44Å; L809-P815 HydrophobicContact CD2-CB 4.42Å; L809-H836 WeakPolarHBondContact O-CA 3.43Å; L809-H836 WeakPolarHBondContact O-CB 3.39Å; L809-S837 PolarHBondContact N-O 3.26Å; L809-S837 PolarHBondContact O-N 3.06Å; L809-L839 HydrophobicContact CD1-CB 4.48Å; L809-L875 HydrophobicContact CD2-CD1 4.43Å; L809-I905 HydrophobicContact CD1-CB 4.36Å; L809-I905 HydrophobicContact CD2-CD1 4.1Å; L809-P906 HydrophobicContact CD1-CB 3.98Å |
| 810 | D | 93.9 | Very high | 92.7 | Very high | 9 Ų | 9 | 37.6 Ų | 37.6 | 5% | 0.048 | 19% | 0.187 | C | C | . | . | trans | -70.1 | -176.1 | 179.6 | 84.4 | -20.9 | 0 | 0 | 0 | 113.1 | R812 G813 K814 L816 P830 D831 | D810-R812 PolarHBondContact O-N 3.31Å; D810-R812 WeakPolarHBondContact OD1-CA 3.49Å; D810-R812 WeakPolarHBondContact OD1-CB 3.46Å; D810-R812 PolarHBondContact OD1-N 3.46Å; D810-G813 PolarHBondContact O-N 3.02Å; D810-G813 PolarHBondContact OD1-N 2.88Å; D810-K814 PolarHBondContact N-O 3.46Å; D810-K814 PolarHBondContact OD1-N 3.01Å; D810-L816 HydrophobicContact CB-CD2 4.12Å; D810-P830 HydrophobicContact CB-CB 4.08Å; D810-D831 HydrophobicContact CB-CB 4.49Å; D810-D831 WeakPolarHBondContact OD2-CB 3.34Å; D810-D831 PolarHBondContact OD2-N 2.89Å | ||
| 811 | G | 89.4 | Confident | 92.5 | Very high | 22 Ų | 22 | 34 Ų | 34 | 23% | 0.227 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -26.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 116 | D831 | G811-D831 WeakPolarHBondContact CA-O 3.45Å; G811-D831 PolarHBondContact N-O 2.86Å |
| 812 | R | 89.7 | Confident | 92.2 | Very high | 180 Ų | 180 | 35.2 Ų | 35.2 | 68% | 0.679 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -7.5 | 178.6 | -58.7 | 175.7 | -167.6 | 171.7 | 12.7 | 112.7 | D810 D831 | D810-R812 PolarHBondContact O-N 3.31Å; D810-R812 WeakPolarHBondContact OD1-CA 3.49Å; D810-R812 WeakPolarHBondContact OD1-CB 3.46Å; D810-R812 PolarHBondContact OD1-N 3.46Å; R812-D831 HydrophobicContact CG-CB 3.76Å; R812-D831 WeakPolarHBondContact CG-OD2 3.5Å; R812-D831 IonicContact NE-OD2 3.6Å |
| 813 | G | 88.8 | Confident | 91.8 | Very high | 9 Ų | 9 | 38.1 Ų | 38.1 | 9% | 0.093 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 84.6 | 11.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D810 I905 | D810-G813 PolarHBondContact O-N 3.02Å; D810-G813 PolarHBondContact OD1-N 2.88Å; G813-I905 WeakPolarHBondContact O-CD1 3.34Å |
| 814 | K | 91.5 | Very high | 91.2 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 43% | 0.426 | 24% | 0.235 | S | C | . | . | P | Polyproline II helix | trans | -78.2 | 150.3 | 169.9 | -65.6 | -166.2 | 171.6 | -164.9 | 0 | 110.2 | L809 D810 | L809-K814 CarbonylContact C-O 3.44Å; L809-K814 WeakPolarHBondContact CA-O 3.44Å; D810-K814 PolarHBondContact N-O 3.46Å; D810-K814 PolarHBondContact OD1-N 3.01Å |
| 815 | P | 93.4 | Very high | 90.6 | Very high | 34 Ų | 34 | 47 Ų | 47 | 22% | 0.221 | 25% | 0.248 | C | C | . | . | B | Isolated β-bridge | trans | -59.6 | 149.8 | 169 | 27.4 | -34.7 | 0 | 0 | 0 | 111.6 | I808 L809 L875 | I808-P815 WeakPolarHBondContact O-CA 3.46Å; L809-P815 HydrophobicContact CD2-CB 4.42Å; P815-L875 HydrophobicContact CB-CD1 4.22Å |
| 816 | L | 93.3 | Very high | 90.1 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 18% | 0.183 | 28% | 0.275 | C | S | . | . | P | Polyproline II helix | trans | -64.2 | 146.8 | 165.5 | -62.1 | -172.9 | 0 | 0 | 0 | 110.8 | A736 D737 I808 D810 P830 | A736-L816 HydrophobicContact CB-CD1 3.81Å; D737-L816 WeakPolarHBondContact O-CD1 3.32Å; I808-L816 HydrophobicContact CB-CD1 3.71Å; I808-L816 HydrophobicContact CB-CG 3.98Å; I808-L816 HydrophobicContact CG1-CD1 4.48Å; I808-L816 HydrophobicContact CG2-CD1 3.71Å; I808-L816 HydrophobicContact CG2-CG 4.01Å; I808-L816 PolarHBondContact O-N 3.32Å; D810-L816 HydrophobicContact CB-CD2 4.12Å; L816-P830 HydrophobicContact CD2-CB 3.58Å; L816-P830 HydrophobicContact CD2-CG 4.26Å |
| 817 | P | 90.8 | Very high | 89.4 | Confident | 34 Ų | 34 | 56.5 Ų | 56.5 | 22% | 0.221 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -73 | 161.2 | 179.6 | 27.5 | -32.4 | 0 | 0 | 0 | 113.3 | E821 A822 I828 | P817-E821 HydrophobicContact CB-CB 4.13Å; P817-E821 HydrophobicContact CB-CG 4.4Å; P817-A822 HydrophobicContact CB-CB 4.35Å; P817-A822 HydrophobicContact CG-CB 3.78Å; P817-I828 HydrophobicContact CB-CG2 4.15Å |
| 818 | D | 88.6 | Confident | 88.8 | Confident | 79 Ų | 79 | 58.9 Ų | 58.9 | 42% | 0.422 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -68.5 | 161.2 | 173.8 | -72.4 | -17 | 0 | 0 | 0 | 112 | Y820 E821 K932 | D818-Y820 PolarHBondContact O-N 3.43Å; D818-E821 HydrophobicContact CB-CB 4.06Å; D818-E821 PolarHBondContact N-OE2 2.86Å; D818-E821 WeakPolarHBondContact O-CB 3.46Å; D818-E821 PolarHBondContact O-N 3.07Å; D818-K932 VanDerWaalsContact CG-NZ 3.29Å; D818-K932 IonicContact OD1-NZ 3.47Å; D818-K932 VanDerWaalsContact OD2-CE 3.24Å; D818-K932 WeakPolarHBondContact OD2-CE 3.39Å; D818-K932 IonicContact OD2-NZ 3.29Å; D818-K932 PolarHBondContact OD2-NZ 3.08Å |
| 819 | P | 87 | Confident | 88.4 | Confident | 26 Ų | 26 | 61 Ų | 61 | 17% | 0.169 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | 134.7 | 174.3 | -24.1 | 33 | 0 | 0 | 0 | 112 | Y536 E620 E821 | Y536-P819 WeakPolarHBondContact CD2-O 3.29Å; E620-P819 HydrophobicContact CG-CB 4.47Å; P819-E821 PolarHBondContact O-N 2.92Å; P819-E821 VanDerWaalsContact O-N 3.17Å |
| 820 | Y | 87.3 | Confident | 88.2 | Confident | 75 Ų | 75 | 62.9 Ų | 62.9 | 29% | 0.294 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.9 | -13.1 | -168.9 | -61.4 | -74.1 | 0 | 0 | 0 | 117.1 | T619 E620 D818 A822 S823 Q824 | T619-Y820 WeakPolarHBondContact OG1-CD2 3.46Å; T619-Y820 VanDerWaalsContact OG1-CE2 3.28Å; T619-Y820 WeakPolarHBondContact OG1-CE2 3.23Å; E620-Y820 HydrophobicContact CG-CD1 3.78Å; E620-Y820 HydrophobicContact CG-CD2 3.9Å; E620-Y820 HydrophobicContact CG-CE1 3.65Å; E620-Y820 HydrophobicContact CG-CE2 3.77Å; E620-Y820 HydrophobicContact CG-CG 3.9Å; E620-Y820 WeakPolarHBondContact OE1-CA 3.31Å; E620-Y820 PolarHBondContact OE1-N 3.03Å; D818-Y820 PolarHBondContact O-N 3.43Å; Y820-A822 PolarHBondContact O-N 3.45Å; Y820-S823 WeakPolarHBondContact CA-OG 3.16Å; Y820-S823 WeakPolarHBondContact O-CA 3.31Å; Y820-S823 WeakPolarHBondContact O-CB 3.44Å; Y820-S823 PolarHBondContact O-N 2.81Å; Y820-S823 PolarHBondContact O-OG 3.22Å; Y820-Q824 WeakPolarHBondContact O-CG 3.48Å; Y820-Q824 PolarHBondContact O-N 3.34Å; Y820-Q824 VanDerWaalsContact O-N 3.1Å |
| 821 | E | 86.4 | Confident | 88 | Confident | 23 Ų | 23 | 62.8 Ų | 62.8 | 11% | 0.107 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.7 | -45.4 | -174.9 | -169 | 165.5 | -120.2 | 0 | 0 | 111.4 | Y536 P817 D818 P819 S823 Q824 D825 I828 K932 | Y536-E821 HydrophobicContact CE2-CB 3.96Å; Y536-E821 HydrophobicContact CE2-CG 4.47Å; P817-E821 HydrophobicContact CB-CB 4.13Å; P817-E821 HydrophobicContact CB-CG 4.4Å; D818-E821 HydrophobicContact CB-CB 4.06Å; D818-E821 PolarHBondContact N-OE2 2.86Å; D818-E821 WeakPolarHBondContact O-CB 3.46Å; D818-E821 PolarHBondContact O-N 3.07Å; P819-E821 PolarHBondContact O-N 2.92Å; P819-E821 VanDerWaalsContact O-N 3.17Å; E821-S823 VanDerWaalsContact C-N 3.31Å; E821-S823 PolarHBondContact O-N 2.78Å; E821-Q824 PolarHBondContact O-N 3.32Å; E821-D825 PolarHBondContact O-N 3.4Å; E821-I828 HydrophobicContact CG-CD1 4.34Å; E821-K932 IonicContact OE1-NZ 3.93Å; E821-K932 PolarHBondContact OE1-NZ 3.26Å; E821-K932 IonicContact OE2-NZ 2.68Å; E821-K932 PolarHBondContact OE2-NZ 3.03Å |
| 822 | A | 86.3 | Confident | 88 | Confident | 27 Ų | 27 | 64 Ų | 64 | 22% | 0.223 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -70.3 | -19.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P817 Y820 D825 | P817-A822 HydrophobicContact CB-CB 4.35Å; P817-A822 HydrophobicContact CG-CB 3.78Å; Y820-A822 PolarHBondContact O-N 3.45Å; A822-D825 CarbonylContact O-C 3.59Å |
| 823 | S | 85.4 | Confident | 87.9 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 42% | 0.42 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -77.9 | -26.8 | 175.7 | 82.6 | 0 | 0 | 0 | 0 | 112.3 | Y820 E821 | Y820-S823 WeakPolarHBondContact CA-OG 3.16Å; Y820-S823 WeakPolarHBondContact O-CA 3.31Å; Y820-S823 WeakPolarHBondContact O-CB 3.44Å; Y820-S823 PolarHBondContact O-N 2.81Å; Y820-S823 PolarHBondContact O-OG 3.22Å; E821-S823 VanDerWaalsContact C-N 3.31Å; E821-S823 PolarHBondContact O-N 2.78Å |
| 824 | Q | 84.3 | Confident | 87.8 | Confident | 135 Ų | 135 | 65 Ų | 65 | 63% | 0.631 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -91.6 | -33.4 | 179.3 | -60.7 | -57.5 | -74.8 | 0 | 0 | 111.8 | Y536 Y820 E821 | Y536-Q824 HydrophobicContact CD1-CG 3.75Å; Y536-Q824 HydrophobicContact CE1-CB 4.23Å; Y536-Q824 HydrophobicContact CE1-CG 3.73Å; Y536-Q824 HydrophobicContact CG-CG 4.47Å; Y820-Q824 WeakPolarHBondContact O-CG 3.48Å; Y820-Q824 PolarHBondContact O-N 3.34Å; Y820-Q824 VanDerWaalsContact O-N 3.1Å; E821-Q824 PolarHBondContact O-N 3.32Å |
| 825 | D | 84.2 | Confident | 87.6 | Confident | 75 Ų | 75 | 63.6 Ų | 63.6 | 40% | 0.401 | 38% | 0.376 | S | S | . | . | trans | -131.3 | 104.8 | 172.1 | -173.9 | -0.2 | 0 | 0 | 0 | 111.7 | E821 A822 A827 I828 | E821-D825 PolarHBondContact O-N 3.4Å; A822-D825 CarbonylContact O-C 3.59Å; D825-A827 PolarHBondContact O-N 3.14Å; D825-A827 VanDerWaalsContact OD1-CB 3.24Å; D825-A827 WeakPolarHBondContact OD1-CB 3.47Å; D825-A827 PolarHBondContact OD1-N 2.88Å; D825-I828 HydrophobicContact CB-CD1 3.87Å; D825-I828 HydrophobicContact CB-CG1 3.91Å; D825-I828 PolarHBondContact O-N 2.82Å; D825-I828 VanDerWaalsContact O-N 3.08Å | ||
| 826 | L | 86.5 | Confident | 87.7 | Confident | 147 Ų | 147 | 62 Ų | 62 | 77% | 0.77 | 37% | 0.365 | S | S | * | . | G | 310 helix | trans | -65.7 | -15.6 | 178.2 | -65.5 | 172.8 | 0 | 0 | 0 | 113.3 | I828 A829 | L826-I828 PolarHBondContact O-N 2.99Å; L826-A829 VanDerWaalsContact O-CB 3.26Å; L826-A829 WeakPolarHBondContact O-CB 3.45Å; L826-A829 PolarHBondContact O-N 2.81Å |
| 827 | A | 82 | Confident | 87.8 | Confident | 87 Ų | 87 | 60.4 Ų | 60.4 | 72% | 0.719 | 36% | 0.357 | S | S | * | . | G | 310 helix | trans | -72.4 | -16.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D825 | D825-A827 PolarHBondContact O-N 3.14Å; D825-A827 VanDerWaalsContact OD1-CB 3.24Å; D825-A827 WeakPolarHBondContact OD1-CB 3.47Å; D825-A827 PolarHBondContact OD1-N 2.88Å |
| 828 | I | 84.9 | Confident | 88.1 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -96.3 | 4.1 | 175.4 | -36.8 | -179.7 | 0 | 0 | 0 | 111.2 | P817 E821 D825 L826 | P817-I828 HydrophobicContact CB-CG2 4.15Å; E821-I828 HydrophobicContact CG-CD1 4.34Å; D825-I828 HydrophobicContact CB-CD1 3.87Å; D825-I828 HydrophobicContact CB-CG1 3.91Å; D825-I828 PolarHBondContact O-N 2.82Å; D825-I828 VanDerWaalsContact O-N 3.08Å; L826-I828 PolarHBondContact O-N 2.99Å |
| 829 | A | 88.1 | Confident | 88.5 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 41% | 0.405 | 33% | 0.327 | S | S | . | . | trans | -59.6 | 131.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L826 | L826-A829 VanDerWaalsContact O-CB 3.26Å; L826-A829 WeakPolarHBondContact O-CB 3.45Å; L826-A829 PolarHBondContact O-N 2.81Å | ||
| 830 | P | 89.8 | Confident | 89 | Confident | 40 Ų | 40 | 54 Ų | 54 | 26% | 0.26 | 32% | 0.32 | S | S | . | . | trans | -70.3 | 147 | -173.6 | 28.2 | -35.2 | 0 | 0 | 0 | 112.7 | D810 L816 M832 | D810-P830 HydrophobicContact CB-CB 4.08Å; L816-P830 HydrophobicContact CD2-CB 3.58Å; L816-P830 HydrophobicContact CD2-CG 4.26Å; P830-M832 HydrophobicContact CB-SD 3.97Å; P830-M832 HydrophobicContact CG-SD 3.7Å; P830-M832 PolarHBondContact O-N 2.89Å | ||
| 831 | D | 90.9 | Very high | 89.5 | Confident | 8 Ų | 8 | 50.5 Ų | 50.5 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | trans | -75.8 | 91.7 | 174.5 | -177.7 | 21.1 | 0 | 0 | 0 | 112.5 | D810 G811 R812 T833 N834 H836 | D810-D831 HydrophobicContact CB-CB 4.49Å; D810-D831 WeakPolarHBondContact OD2-CB 3.34Å; D810-D831 PolarHBondContact OD2-N 2.89Å; G811-D831 WeakPolarHBondContact CA-O 3.45Å; G811-D831 PolarHBondContact N-O 2.86Å; R812-D831 HydrophobicContact CG-CB 3.76Å; R812-D831 WeakPolarHBondContact CG-OD2 3.5Å; R812-D831 IonicContact NE-OD2 3.6Å; D831-T833 PolarHBondContact O-N 3.02Å; D831-T833 WeakPolarHBondContact OD1-CB 3.34Å; D831-T833 PolarHBondContact OD1-N 3.37Å; D831-T833 PolarHBondContact OD1-OG1 3.15Å; D831-N834 PolarHBondContact OD2-ND2 2.86Å; D831-H836 PolarHBondContact O-NE2 3.01Å | ||
| 832 | M | 89.3 | Confident | 90 | Very high | 48 Ų | 48 | 49.4 Ų | 49.4 | 24% | 0.236 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.2 | 174.8 | -45.7 | -54.2 | -83.5 | 0 | 0 | 113.5 | F739 H746 P830 H836 | F739-M832 HydrophobicContact CZ-CB 4.46Å; F739-M832 WeakPolarHBondContact CZ-O 3.44Å; H746-M832 HydrophobicContact CB-CE 3.58Å; H746-M832 WeakPolarHBondContact ND1-CE 3.25Å; P830-M832 HydrophobicContact CB-SD 3.97Å; P830-M832 HydrophobicContact CG-SD 3.7Å; P830-M832 PolarHBondContact O-N 2.89Å; M832-H836 PolarHBondContact SD-CE1 2.86Å; M832-H836 PolarHBondContact SD-NE2 3.31Å; M832-H836 VanDerWaalsContact SD-NE2 3.42Å |
| 833 | T | 87 | Confident | 90.5 | Very high | 120 Ų | 120 | 48.7 Ų | 48.7 | 74% | 0.736 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -23.7 | -175.6 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | D831 | D831-T833 PolarHBondContact O-N 3.02Å; D831-T833 WeakPolarHBondContact OD1-CB 3.34Å; D831-T833 PolarHBondContact OD1-N 3.37Å; D831-T833 PolarHBondContact OD1-OG1 3.15Å |
| 834 | N | 86 | Confident | 90.9 | Very high | 88 Ų | 88 | 46.3 Ų | 46.3 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -113.8 | 157 | 179.1 | -63.8 | -77.9 | 0 | 0 | 0 | 110.8 | D831 H836 | D831-N834 PolarHBondContact OD2-ND2 2.86Å; N834-H836 PolarHBondContact O-CD2 3.11Å; N834-H836 PolarHBondContact O-N 2.82Å; N834-H836 VanDerWaalsContact O-N 3.15Å |
| 835 | A | 87.8 | Confident | 91.4 | Very high | 69 Ų | 69 | 40.7 Ų | 40.7 | 57% | 0.57 | 25% | 0.249 | S | C | * | . | trans | -64.7 | 115.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 836 | H | 95.3 | Very high | 92 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | trans | -58.1 | 166.7 | 175.2 | -74.9 | -151.9 | 0 | 0 | 0 | 112.6 | T738 F739 I808 L809 D831 M832 N834 L851 | T738-H836 PolarHBondContact OG1-ND1 2.95Å; F739-H836 HydrophobicContact CD2-CB 4.21Å; F739-H836 AromaticContact CD2-CD2 3.93Å; F739-H836 AromaticContact CD2-CG 3.92Å; F739-H836 AromaticContact CE2-CD2 3.7Å; F739-H836 AromaticContact CE2-NE2 3.86Å; I808-H836 HydrophobicContact CG2-CB 4.49Å; L809-H836 WeakPolarHBondContact O-CA 3.43Å; L809-H836 WeakPolarHBondContact O-CB 3.39Å; D831-H836 PolarHBondContact O-NE2 3.01Å; M832-H836 PolarHBondContact SD-CE1 2.86Å; M832-H836 PolarHBondContact SD-NE2 3.31Å; M832-H836 VanDerWaalsContact SD-NE2 3.42Å; N834-H836 PolarHBondContact O-CD2 3.11Å; N834-H836 PolarHBondContact O-N 2.82Å; N834-H836 VanDerWaalsContact O-N 3.15Å; H836-L851 HydrophobicContact CB-CB 4.38Å; H836-L851 HydrophobicContact CB-CD1 4.15Å; H836-L851 PolarHBondContact O-N 3.13Å | ||
| 837 | S | 96.2 | Very high | 92.5 | Very high | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.014 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 142.6 | 173.6 | 55.3 | 0 | 0 | 0 | 0 | 113.4 | L809 F849 | L809-S837 PolarHBondContact N-O 3.26Å; L809-S837 PolarHBondContact O-N 3.06Å; S837-F849 CarbonylContact C-O 3.53Å; S837-F849 WeakPolarHBondContact CA-O 3.31Å; S837-F849 WeakPolarHBondContact CB-O 3.24Å |
| 838 | V | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.6 | 175.7 | 56.6 | 0 | 0 | 0 | 0 | 110.1 | W751 I806 I808 I840 V848 F849 L851 | W751-V838 HydrophobicContact CE3-CG2 4.24Å; W751-V838 HydrophobicContact CH2-CB 4.4Å; W751-V838 HydrophobicContact CH2-CG1 4.34Å; W751-V838 HydrophobicContact CH2-CG2 4.48Å; W751-V838 HydrophobicContact CZ3-CB 4.39Å; W751-V838 HydrophobicContact CZ3-CG1 4.29Å; W751-V838 HydrophobicContact CZ3-CG2 4.04Å; I806-V838 HydrophobicContact CG2-CG2 3.84Å; I808-V838 HydrophobicContact CD1-CB 3.66Å; I808-V838 HydrophobicContact CD1-CG2 3.61Å; V838-I840 HydrophobicContact CG2-CD1 4.38Å; V838-I840 HydrophobicContact CG2-CG1 3.82Å; V838-V848 CarbonylContact O-C 3.55Å; V838-V848 WeakPolarHBondContact O-CA 3.4Å; V838-F849 HydrophobicContact CG1-CB 3.89Å; V838-F849 HydrophobicContact CG1-CD2 4.36Å; V838-F849 PolarHBondContact N-O 3.06Å; V838-F849 PolarHBondContact O-N 2.89Å; V838-L851 HydrophobicContact CB-CD1 4.47Å; V838-L851 HydrophobicContact CB-CD2 4.25Å; V838-L851 HydrophobicContact CB-CG 4.48Å; V838-L851 HydrophobicContact CG1-CD2 3.79Å; V838-L851 HydrophobicContact CG1-CG 4.37Å |
| 839 | L | 97.6 | Very high | 93.8 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.016 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 120.2 | 167.6 | 172.3 | 60.6 | 0 | 0 | 0 | 108.7 | I806 S807 L809 K847 V848 L875 L891 L908 | I806-L839 WeakPolarHBondContact CA-O 3.5Å; S807-L839 PolarHBondContact N-O 2.69Å; S807-L839 PolarHBondContact O-N 3.31Å; L809-L839 HydrophobicContact CD1-CB 4.48Å; L839-K847 CarbonylContact C-O 3.57Å; L839-K847 WeakPolarHBondContact CA-O 3.47Å; L839-V848 HydrophobicContact CB-CG2 4.44Å; L839-V848 HydrophobicContact CD1-CG2 3.9Å; L839-L875 HydrophobicContact CD2-CD1 4.43Å; L839-L875 HydrophobicContact CD2-CD2 4.28Å; L839-L891 HydrophobicContact CD1-CD2 4.45Å; L839-L891 HydrophobicContact CD2-CD1 3.68Å; L839-L891 HydrophobicContact CD2-CD2 4.02Å; L839-L891 HydrophobicContact CD2-CG 4.45Å; L839-L908 HydrophobicContact CD1-CD2 4.09Å |
| 840 | I | 97.7 | Very high | 94.1 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 115.8 | 174.3 | -52.3 | -177.3 | 0 | 0 | 0 | 107.6 | V759 I795 L797 V803 V838 K847 F849 | V759-I840 HydrophobicContact CG2-CD1 4.2Å; V759-I840 HydrophobicContact CG2-CG2 4.2Å; I795-I840 HydrophobicContact CD1-CD1 4.46Å; L797-I840 HydrophobicContact CD1-CG2 4.11Å; V803-I840 HydrophobicContact CG1-CG2 3.89Å; V838-I840 HydrophobicContact CG2-CD1 4.38Å; V838-I840 HydrophobicContact CG2-CG1 3.82Å; I840-K847 PolarHBondContact N-O 2.8Å; I840-K847 PolarHBondContact O-N 2.91Å; I840-F849 HydrophobicContact CB-CE2 4.33Å; I840-F849 HydrophobicContact CD1-CD2 3.99Å; I840-F849 HydrophobicContact CD1-CE2 3.72Å; I840-F849 HydrophobicContact CG1-CD2 4.25Å; I840-F849 HydrophobicContact CG1-CE2 4.12Å |
| 841 | A | 97.5 | Very high | 94.3 | Very high | 2 Ų | 2 | 21.9 Ų | 21.9 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 123.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V804 S805 L846 V873 | V804-A841 PolarHBondContact N-O 3.29Å; S805-A841 PolarHBondContact N-O 2.87Å; S805-A841 PolarHBondContact O-N 3.02Å; A841-L846 HydrophobicContact CB-CD2 3.61Å; A841-V873 HydrophobicContact CB-CG1 4.39Å; A841-V873 HydrophobicContact CB-CG2 3.91Å |
| 842 | S | 97.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.007 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 168.9 | 173.1 | 64.8 | 0 | 0 | 0 | 0 | 110.7 | H799 P802 E844 Q845 V870 | H799-S842 PolarHBondContact CE1-OG 3.11Å; H799-S842 VanDerWaalsContact CE1-OG 3.26Å; P802-S842 CarbonylContact O-C 3.58Å; P802-S842 WeakPolarHBondContact O-CA 3.34Å; P802-S842 VanDerWaalsContact O-CB 3.27Å; P802-S842 WeakPolarHBondContact O-CB 3.42Å; S842-E844 PolarHBondContact O-N 3.3Å; S842-Q845 PolarHBondContact N-O 3Å; S842-Q845 PolarHBondContact OG-N 2.58Å; S842-Q845 PolarHBondContact OG-O 3.37Å; S842-V870 WeakPolarHBondContact O-CG2 3.26Å |
| 843 | E | 95.4 | Very high | 94.3 | Very high | 11 Ų | 11 | 28.8 Ų | 28.8 | 5% | 0.051 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -52.3 | -25.3 | 176.2 | -71.7 | -175.4 | 174.9 | 0 | 0 | 113.4 | R720 R731 P802 V804 R869 V870 | R720-E843 IonicContact CZ-OE2 3.07Å; R720-E843 IonicContact NH1-OE2 2.65Å; R720-E843 PolarHBondContact NH1-OE2 2.81Å; R720-E843 IonicContact NH2-OE2 2.95Å; R720-E843 PolarHBondContact NH2-OE2 2.88Å; R731-E843 IonicContact CZ-OE1 3.34Å; R731-E843 IonicContact NH1-OE1 3.75Å; R731-E843 PolarHBondContact NH1-OE1 2.97Å; R731-E843 IonicContact NH2-OE1 2.72Å; R731-E843 PolarHBondContact NH2-OE1 3.33Å; P802-E843 HydrophobicContact CB-CG 4.03Å; P802-E843 HydrophobicContact CG-CG 4.23Å; P802-E843 PolarHBondContact O-N 2.94Å; V804-E843 HydrophobicContact CG2-CG 3.83Å; E843-R869 CarbonylContact O-C 3.58Å; E843-R869 WeakPolarHBondContact O-CA 3.39Å; E843-R869 VanDerWaalsContact O-CB 3.26Å; E843-R869 WeakPolarHBondContact O-CB 3.09Å; E843-V870 PolarHBondContact O-N 3.32Å |
| 844 | E | 94.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 24.3 Ų | 24.3 | 5% | 0.051 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -120.3 | -24.2 | -171.7 | -68.1 | 159.9 | -154.7 | 0 | 0 | 115 | I717 R720 H799 A801 S842 L862 T863 | I717-E844 HydrophobicContact CD1-CB 4.4Å; I717-E844 WeakPolarHBondContact CG2-OE2 3.46Å; R720-E844 IonicContact CZ-OE1 3.45Å; R720-E844 VanDerWaalsContact CZ-OE1 3.32Å; R720-E844 IonicContact NE-OE1 3.14Å; R720-E844 PolarHBondContact NE-OE1 2.59Å; R720-E844 VanDerWaalsContact NE-OE1 3.07Å; R720-E844 IonicContact NH2-OE1 2.78Å; R720-E844 PolarHBondContact NH2-OE1 3.49Å; H799-E844 IonicContact ND1-OE2 3.95Å; A801-E844 HydrophobicContact CB-CB 4.05Å; A801-E844 HydrophobicContact CB-CG 3.92Å; A801-E844 WeakPolarHBondContact CB-OE1 3.43Å; A801-E844 WeakPolarHBondContact CB-OE2 3.45Å; S842-E844 PolarHBondContact O-N 3.3Å; E844-L862 PolarHBondContact O-N 3.5Å; E844-L862 VanDerWaalsContact O-N 3.11Å; E844-T863 WeakPolarHBondContact CA-OG1 3.38Å; E844-T863 PolarHBondContact O-N 3.44Å |
| 845 | Q | 95.1 | Very high | 94.9 | Very high | 16 Ų | 16 | 23 Ų | 23 | 8% | 0.075 | 13% | 0.13 | C | C | . | . | trans | -144.3 | 137.1 | -172 | -53.7 | -174.7 | 15.8 | 0 | 0 | 111.8 | I717 H799 S842 F860 K861 | I717-Q845 HydrophobicContact CD1-CG 4.21Å; H799-Q845 PolarHBondContact CD2-NE2 3.07Å; H799-Q845 VanDerWaalsContact CD2-NE2 3.33Å; H799-Q845 PolarHBondContact CD2-OE1 2.81Å; H799-Q845 VanDerWaalsContact CD2-OE1 3.25Å; H799-Q845 PolarHBondContact NE2-OE1 2.86Å; S842-Q845 PolarHBondContact N-O 3Å; S842-Q845 PolarHBondContact OG-N 2.58Å; S842-Q845 PolarHBondContact OG-O 3.37Å; Q845-F860 WeakPolarHBondContact CA-O 3.09Å; Q845-K861 HydrophobicContact CG-CG 4.25Å | ||
| 846 | L | 96.8 | Very high | 95 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 133.8 | 168.3 | -54.3 | 175.2 | 0 | 0 | 0 | 108.4 | A841 K859 F860 V870 L891 F903 L908 | A841-L846 HydrophobicContact CB-CD2 3.61Å; L846-K859 CarbonylContact O-C 3.57Å; L846-K859 VanDerWaalsContact O-CA 3.25Å; L846-K859 WeakPolarHBondContact O-CA 3.37Å; L846-F860 HydrophobicContact CB-CB 4.41Å; L846-F860 PolarHBondContact N-O 3.18Å; L846-F860 PolarHBondContact O-N 3.08Å; L846-V870 HydrophobicContact CD2-CG2 4.3Å; L846-L891 HydrophobicContact CD1-CD2 3.95Å; L846-L891 HydrophobicContact CD2-CD2 4.4Å; L846-F903 HydrophobicContact CD1-CD1 4.37Å; L846-F903 HydrophobicContact CD1-CD2 3.92Å; L846-F903 HydrophobicContact CD1-CE1 4.26Å; L846-F903 HydrophobicContact CD1-CE2 3.8Å; L846-F903 HydrophobicContact CD1-CG 4.22Å; L846-F903 HydrophobicContact CD1-CZ 3.99Å; L846-L908 HydrophobicContact CB-CD1 3.9Å; L846-L908 HydrophobicContact CB-CD2 4.28Å |
| 847 | K | 97 | Very high | 94.9 | Very high | 21 Ų | 21 | 29 Ų | 29 | 9% | 0.091 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 137.4 | -177 | -70.5 | 172.2 | 179.6 | 162.8 | 0 | 112.1 | L797 H799 L839 I840 F849 T858 K859 | L797-K847 HydrophobicContact CD2-CD 4Å; H799-K847 PolarHBondContact CD2-NZ 2.87Å; H799-K847 PolarHBondContact NE2-NZ 2.84Å; L839-K847 CarbonylContact C-O 3.57Å; L839-K847 WeakPolarHBondContact CA-O 3.47Å; I840-K847 PolarHBondContact N-O 2.8Å; I840-K847 PolarHBondContact O-N 2.91Å; K847-F849 HydrophobicContact CB-CD2 4.25Å; K847-F849 HydrophobicContact CB-CE2 3.54Å; K847-F849 HydrophobicContact CB-CZ 4.06Å; K847-F849 HydrophobicContact CD-CE2 4.13Å; K847-F849 HydrophobicContact CD-CZ 3.85Å; K847-F849 HydrophobicContact CG-CE2 4.45Å; K847-T858 WeakPolarHBondContact CA-O 3.47Å; K847-K859 HydrophobicContact CG-CB 3.9Å |
| 848 | V | 96.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 132.5 | 167.5 | -177.2 | 0 | 0 | 0 | 0 | 109.4 | V838 L839 K857 T858 P906 L908 | V838-V848 CarbonylContact O-C 3.55Å; V838-V848 WeakPolarHBondContact O-CA 3.4Å; L839-V848 HydrophobicContact CB-CG2 4.44Å; L839-V848 HydrophobicContact CD1-CG2 3.9Å; V848-K857 HydrophobicContact CG1-CB 4.49Å; V848-K857 HydrophobicContact CG1-CD 4.44Å; V848-K857 PolarHBondContact O-N 2.69Å; V848-T858 WeakPolarHBondContact CB-OG1 3.37Å; V848-T858 WeakPolarHBondContact CG2-OG1 3.41Å; V848-T858 PolarHBondContact N-O 3.42Å; V848-T858 PolarHBondContact O-N 3.08Å; V848-P906 HydrophobicContact CG1-CB 4.39Å; V848-P906 HydrophobicContact CG2-CB 4.47Å; V848-L908 HydrophobicContact CG2-CD1 4.03Å; V848-L908 HydrophobicContact CG2-CG 4.16Å |
| 849 | F | 96.4 | Very high | 94.7 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 10% | 0.096 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 138.9 | 174 | -53.9 | -104.2 | 0 | 0 | 0 | 110 | L797 S837 V838 I840 K847 V854 S855 A856 | L797-F849 HydrophobicContact CD2-CZ 4.23Å; S837-F849 CarbonylContact C-O 3.53Å; S837-F849 WeakPolarHBondContact CA-O 3.31Å; S837-F849 WeakPolarHBondContact CB-O 3.24Å; V838-F849 HydrophobicContact CG1-CB 3.89Å; V838-F849 HydrophobicContact CG1-CD2 4.36Å; V838-F849 PolarHBondContact N-O 3.06Å; V838-F849 PolarHBondContact O-N 2.89Å; I840-F849 HydrophobicContact CB-CE2 4.33Å; I840-F849 HydrophobicContact CD1-CD2 3.99Å; I840-F849 HydrophobicContact CD1-CE2 3.72Å; I840-F849 HydrophobicContact CG1-CD2 4.25Å; I840-F849 HydrophobicContact CG1-CE2 4.12Å; K847-F849 HydrophobicContact CB-CD2 4.25Å; K847-F849 HydrophobicContact CB-CE2 3.54Å; K847-F849 HydrophobicContact CB-CZ 4.06Å; K847-F849 HydrophobicContact CD-CE2 4.13Å; K847-F849 HydrophobicContact CD-CZ 3.85Å; K847-F849 HydrophobicContact CG-CE2 4.45Å; F849-V854 HydrophobicContact CB-CG1 3.91Å; F849-V854 HydrophobicContact CD1-CG1 3.98Å; F849-V854 WeakPolarHBondContact CD1-O 3.45Å; F849-V854 HydrophobicContact CG-CG1 4.02Å; F849-S855 CarbonylContact C-O 3.46Å; F849-S855 VanDerWaalsContact CA-O 3.32Å; F849-S855 WeakPolarHBondContact CA-O 3.46Å; F849-A856 HydrophobicContact CD1-CB 3.83Å; F849-A856 HydrophobicContact CE1-CB 3.93Å |
| 850 | S | 94.9 | Very high | 94.6 | Very high | 31 Ų | 31 | 38.8 Ų | 38.8 | 22% | 0.217 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 131.9 | 175.5 | 52.5 | 0 | 0 | 0 | 0 | 111.8 | V854 S855 | S850-V854 WeakPolarHBondContact O-CA 3.5Å; S850-V854 PolarHBondContact O-N 3.19Å; S850-S855 PolarHBondContact N-O 2.87Å; S850-S855 PolarHBondContact O-N 2.98Å; S850-S855 PolarHBondContact OG-O 3.14Å; S850-S855 PolarHBondContact OG-OG 3.38Å |
| 851 | L | 94.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 3% | 0.031 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 157.9 | 177.2 | -64.2 | -179.1 | 0 | 0 | 0 | 111.3 | T738 F739 W751 I808 H836 V838 K853 | T738-L851 HydrophobicContact CG2-CD1 3.84Å; T738-L851 WeakPolarHBondContact OG1-CD1 3.36Å; F739-L851 WeakPolarHBondContact O-CB 3.34Å; W751-L851 HydrophobicContact CH2-CD2 3.79Å; W751-L851 HydrophobicContact CZ2-CD1 4.41Å; W751-L851 HydrophobicContact CZ2-CD2 4.28Å; I808-L851 HydrophobicContact CD1-CD1 4.36Å; I808-L851 HydrophobicContact CG2-CD1 4.19Å; H836-L851 HydrophobicContact CB-CB 4.38Å; H836-L851 HydrophobicContact CB-CD1 4.15Å; H836-L851 PolarHBondContact O-N 3.13Å; V838-L851 HydrophobicContact CB-CD1 4.47Å; V838-L851 HydrophobicContact CB-CD2 4.25Å; V838-L851 HydrophobicContact CB-CG 4.48Å; V838-L851 HydrophobicContact CG1-CD2 3.79Å; V838-L851 HydrophobicContact CG1-CG 4.37Å; L851-K853 VanDerWaalsContact C-N 3.27Å |
| 852 | P | 91 | Very high | 94.2 | Very high | 21 Ų | 21 | 42.3 Ų | 42.3 | 14% | 0.136 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -76.6 | -7.1 | -10.4 | 36.6 | -42.1 | 0 | 0 | 0 | 113.3 | F739 D742 K793 V854 | F739-P852 WeakPolarHBondContact O-CA 3.49Å; F739-P852 WeakPolarHBondContact O-CB 3.28Å; D742-P852 WeakPolarHBondContact O-CB 3.46Å; D742-P852 WeakPolarHBondContact O-CG 3.34Å; K793-P852 WeakPolarHBondContact CE-O 3.37Å; P852-V854 VanDerWaalsContact C-N 3.28Å; P852-V854 PolarHBondContact O-N 3.31Å |
| 853 | K | 90.1 | Very high | 94 | Very high | 179 Ų | 179 | 43.2 Ų | 43.2 | 78% | 0.778 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -16.7 | -168.2 | -66.5 | -176.1 | 178.7 | 178.2 | 0 | 114.5 | L851 S855 | L851-K853 VanDerWaalsContact C-N 3.27Å; K853-S855 PolarHBondContact O-N 2.94Å |
| 854 | V | 91.9 | Very high | 93.7 | Very high | 26 Ų | 26 | 43.1 Ų | 43.1 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 33.8 | -174.3 | -155.6 | 0 | 0 | 0 | 0 | 112.8 | K793 I795 F849 S850 P852 | K793-V854 HydrophobicContact CD-CG2 4.14Å; K793-V854 HydrophobicContact CG-CG2 4.05Å; I795-V854 HydrophobicContact CD1-CG1 3.61Å; I795-V854 HydrophobicContact CD1-CG2 4.35Å; I795-V854 HydrophobicContact CG1-CG1 4Å; I795-V854 HydrophobicContact CG2-CG1 4.26Å; F849-V854 HydrophobicContact CB-CG1 3.91Å; F849-V854 HydrophobicContact CD1-CG1 3.98Å; F849-V854 WeakPolarHBondContact CD1-O 3.45Å; F849-V854 HydrophobicContact CG-CG1 4.02Å; S850-V854 WeakPolarHBondContact O-CA 3.5Å; S850-V854 PolarHBondContact O-N 3.19Å; P852-V854 VanDerWaalsContact C-N 3.28Å; P852-V854 PolarHBondContact O-N 3.31Å |
| 855 | S | 92 | Very high | 93.5 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 42% | 0.42 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 129.6 | 172.4 | 45.2 | 0 | 0 | 0 | 0 | 110.9 | F849 S850 K853 K857 | F849-S855 CarbonylContact C-O 3.46Å; F849-S855 VanDerWaalsContact CA-O 3.32Å; F849-S855 WeakPolarHBondContact CA-O 3.46Å; S850-S855 PolarHBondContact N-O 2.87Å; S850-S855 PolarHBondContact O-N 2.98Å; S850-S855 PolarHBondContact OG-O 3.14Å; S850-S855 PolarHBondContact OG-OG 3.38Å; K853-S855 PolarHBondContact O-N 2.94Å; S855-K857 PolarHBondContact O-N 3.26Å |
| 856 | A | 91.4 | Very high | 93.2 | Very high | 75 Ų | 75 | 50.7 Ų | 50.7 | 62% | 0.62 | 26% | 0.26 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 124.1 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | F849 | F849-A856 HydrophobicContact CD1-CB 3.83Å; F849-A856 HydrophobicContact CE1-CB 3.93Å |
| 857 | K | 91.9 | Very high | 92.9 | Very high | 122 Ų | 122 | 53.2 Ų | 53.2 | 53% | 0.53 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -50.9 | -175.5 | -173.5 | 179 | -178.7 | 177.1 | 0 | 111.7 | V848 S855 | V848-K857 HydrophobicContact CG1-CB 4.49Å; V848-K857 HydrophobicContact CG1-CD 4.44Å; V848-K857 PolarHBondContact O-N 2.69Å; S855-K857 PolarHBondContact O-N 3.26Å |
| 858 | T | 94.4 | Very high | 92.7 | Very high | 38 Ų | 38 | 52.3 Ų | 52.3 | 23% | 0.233 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 155.1 | 177 | 55.1 | 0 | 0 | 0 | 0 | 110.6 | K847 V848 P906 | K847-T858 WeakPolarHBondContact CA-O 3.47Å; V848-T858 WeakPolarHBondContact CB-OG1 3.37Å; V848-T858 WeakPolarHBondContact CG2-OG1 3.41Å; V848-T858 PolarHBondContact N-O 3.42Å; V848-T858 PolarHBondContact O-N 3.08Å; T858-P906 PolarHBondContact OG1-O 3.24Å |
| 859 | K | 94.7 | Very high | 92.6 | Very high | 147 Ų | 147 | 57.4 Ų | 57.4 | 64% | 0.639 | 30% | 0.301 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 141.6 | 174.6 | 67.5 | -168.2 | 177.3 | -166.1 | 0 | 111.4 | L846 K847 | L846-K859 CarbonylContact O-C 3.57Å; L846-K859 VanDerWaalsContact O-CA 3.25Å; L846-K859 WeakPolarHBondContact O-CA 3.37Å; K847-K859 HydrophobicContact CG-CB 3.9Å |
| 860 | F | 95.6 | Very high | 92.6 | Very high | 25 Ų | 25 | 56.3 Ų | 56.3 | 11% | 0.11 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 130.3 | 169.8 | -170.2 | -97.2 | 0 | 0 | 0 | 109.3 | Q845 L846 L862 H865 F903 L908 P910 | Q845-F860 WeakPolarHBondContact CA-O 3.09Å; L846-F860 HydrophobicContact CB-CB 4.41Å; L846-F860 PolarHBondContact N-O 3.18Å; L846-F860 PolarHBondContact O-N 3.08Å; F860-L862 HydrophobicContact CD1-CB 4.3Å; F860-L862 HydrophobicContact CE1-CB 4.29Å; F860-L862 HydrophobicContact CE1-CD1 3.92Å; F860-H865 HydrophobicContact CZ-CB 4.07Å; F860-F903 HydrophobicContact CD1-CD1 4.46Å; F860-F903 AromaticContact CD1-CE1 3.52Å; F860-F903 HydrophobicContact CD1-CE1 3.52Å; F860-F903 AromaticContact CD1-CZ 4Å; F860-F903 HydrophobicContact CD1-CZ 4Å; F860-F903 HydrophobicContact CD2-CE1 4.4Å; F860-F903 AromaticContact CE1-CE1 3.57Å; F860-F903 HydrophobicContact CE1-CE1 3.57Å; F860-F903 AromaticContact CE1-CZ 3.94Å; F860-F903 HydrophobicContact CE1-CZ 3.94Å; F860-F903 HydrophobicContact CE2-CE1 4.46Å; F860-F903 AromaticContact CG-CE1 3.96Å; F860-F903 HydrophobicContact CG-CE1 3.96Å; F860-F903 HydrophobicContact CZ-CE1 4.07Å; F860-L908 HydrophobicContact CB-CB 4.28Å; F860-P910 HydrophobicContact CD2-CG 4.39Å; F860-P910 HydrophobicContact CE2-CG 3.68Å; F860-P910 HydrophobicContact CZ-CG 3.85Å |
| 861 | K | 94.4 | Very high | 92.7 | Very high | 76 Ų | 76 | 60.6 Ų | 60.6 | 33% | 0.33 | 31% | 0.308 | S | S | . | . | trans | -100.3 | 79 | -178.5 | -68.7 | -176.5 | 173.6 | -175.7 | 0 | 110.2 | I717 Q845 T863 A864 H865 | I717-K861 HydrophobicContact CD1-CB 4.22Å; I717-K861 HydrophobicContact CD1-CD 4.42Å; Q845-K861 HydrophobicContact CG-CG 4.25Å; K861-T863 PolarHBondContact O-N 3.17Å; K861-A864 HydrophobicContact CB-CB 3.77Å; K861-A864 HydrophobicContact CD-CB 4.06Å; K861-A864 PolarHBondContact O-N 3.29Å; K861-H865 PolarHBondContact O-CD2 3.12Å; K861-H865 PolarHBondContact O-N 2.83Å | ||
| 862 | L | 92.5 | Very high | 92.7 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -50.8 | -53.4 | -172.7 | -176.3 | 63.7 | 0 | 0 | 0 | 112.5 | E844 F860 A864 H865 E866 V870 T895 F903 | E844-L862 PolarHBondContact O-N 3.5Å; E844-L862 VanDerWaalsContact O-N 3.11Å; F860-L862 HydrophobicContact CD1-CB 4.3Å; F860-L862 HydrophobicContact CE1-CB 4.29Å; F860-L862 HydrophobicContact CE1-CD1 3.92Å; L862-A864 PolarHBondContact O-N 3.13Å; L862-A864 VanDerWaalsContact O-N 3.17Å; L862-H865 PolarHBondContact O-N 2.82Å; L862-E866 HydrophobicContact CD1-CB 4.06Å; L862-E866 HydrophobicContact CD1-CG 3.72Å; L862-E866 PolarHBondContact O-N 3.38Å; L862-V870 HydrophobicContact CD2-CG2 3.52Å; L862-T895 HydrophobicContact CD2-CG2 4.32Å; L862-F903 HydrophobicContact CD1-CZ 4.26Å |
| 863 | T | 92.7 | Very high | 92.9 | Very high | 21 Ų | 21 | 63.6 Ų | 63.6 | 13% | 0.129 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -67 | -19 | -178 | -48 | 0 | 0 | 0 | 0 | 114 | E844 K861 G867 C868 R869 | E844-T863 WeakPolarHBondContact CA-OG1 3.38Å; E844-T863 PolarHBondContact O-N 3.44Å; K861-T863 PolarHBondContact O-N 3.17Å; T863-G867 WeakPolarHBondContact O-CA 3.37Å; T863-G867 PolarHBondContact O-N 2.92Å; T863-C868 WeakPolarHBondContact CA-O 3.46Å; T863-C868 WeakPolarHBondContact CB-O 3.32Å; T863-C868 PolarHBondContact N-O 3.37Å; T863-C868 PolarHBondContact OG1-O 3.38Å; T863-R869 HydrophobicContact CG2-CG 4.28Å |
| 864 | A | 90.6 | Very high | 93.2 | Very high | 9 Ų | 9 | 56 Ų | 56 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -90.5 | -10.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q714 I717 K861 L862 | Q714-A864 HydrophobicContact CG-CB 4.19Å; Q714-A864 WeakPolarHBondContact CG-O 3.41Å; Q714-A864 PolarHBondContact NE2-O 2.9Å; I717-A864 HydrophobicContact CD1-CB 3.81Å; I717-A864 HydrophobicContact CG1-CB 4.09Å; K861-A864 HydrophobicContact CB-CB 3.77Å; K861-A864 HydrophobicContact CD-CB 4.06Å; K861-A864 PolarHBondContact O-N 3.29Å; L862-A864 PolarHBondContact O-N 3.13Å; L862-A864 VanDerWaalsContact O-N 3.17Å |
| 865 | H | 89.1 | Confident | 93.3 | Very high | 109 Ų | 109 | 56.6 Ų | 56.6 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -107.9 | -45.4 | 177.6 | -78.5 | -77.2 | 0 | 0 | 0 | 111.9 | Q714 F860 K861 L862 | Q714-H865 PolarHBondContact NE2-CE1 2.83Å; Q714-H865 PolarHBondContact NE2-NE2 3.46Å; Q714-H865 VanDerWaalsContact NE2-NE2 3.11Å; F860-H865 HydrophobicContact CZ-CB 4.07Å; K861-H865 PolarHBondContact O-CD2 3.12Å; K861-H865 PolarHBondContact O-N 2.83Å; L862-H865 PolarHBondContact O-N 2.82Å |
| 866 | E | 89.1 | Confident | 93.4 | Very high | 77 Ų | 77 | 53.8 Ų | 53.8 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -4.5 | -171.5 | -55.1 | -67.9 | 138.7 | 0 | 0 | 112.9 | L862 C868 H901 R913 | L862-E866 HydrophobicContact CD1-CB 4.06Å; L862-E866 HydrophobicContact CD1-CG 3.72Å; L862-E866 PolarHBondContact O-N 3.38Å; E866-C868 VanDerWaalsContact CB-SG 3.6Å; E866-C868 PolarHBondContact O-N 2.77Å; E866-H901 IonicContact OE2-CE1 3.09Å; E866-H901 PolarHBondContact OE2-CE1 3.48Å; E866-R913 IonicContact OE2-NH1 3.91Å; E866-R913 PolarHBondContact OE2-NH1 2.97Å |
| 867 | G | 91.1 | Very high | 93.5 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 55% | 0.546 | 26% | 0.255 | S | S | . | . | S | Bend | trans | 70.8 | -18.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T863 | T863-G867 WeakPolarHBondContact O-CA 3.37Å; T863-G867 PolarHBondContact O-N 2.92Å |
| 868 | C | 93.1 | Very high | 93.6 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.007 | 23% | 0.23 | C | C | . | . | trans | -81.6 | 165.7 | -179.2 | 69.5 | 0 | 0 | 0 | 0 | 113.6 | T863 E866 T895 L897 | T863-C868 WeakPolarHBondContact CA-O 3.46Å; T863-C868 WeakPolarHBondContact CB-O 3.32Å; T863-C868 PolarHBondContact N-O 3.37Å; T863-C868 PolarHBondContact OG1-O 3.38Å; E866-C868 VanDerWaalsContact CB-SG 3.6Å; E866-C868 PolarHBondContact O-N 2.77Å; C868-T895 HydrophobicContact CB-CG2 4.16Å; C868-T895 VanDerWaalsContact SG-CG2 3.55Å; C868-L897 HydrophobicContact CB-CD1 3.75Å; C868-L897 HydrophobicContact CB-CG 4.01Å | ||
| 869 | R | 94.6 | Very high | 93.6 | Very high | 107 Ų | 107 | 48 Ų | 48 | 40% | 0.404 | 23% | 0.234 | S | C | . | . | trans | -120.7 | 145.3 | 177.7 | -64.5 | -176.5 | -174.5 | -177.7 | 3 | 111 | E843 T863 T895 N896 | E843-R869 CarbonylContact O-C 3.58Å; E843-R869 WeakPolarHBondContact O-CA 3.39Å; E843-R869 VanDerWaalsContact O-CB 3.26Å; E843-R869 WeakPolarHBondContact O-CB 3.09Å; T863-R869 HydrophobicContact CG2-CG 4.28Å; R869-T895 CarbonylContact O-C 3.36Å; R869-T895 WeakPolarHBondContact O-CA 3.41Å; R869-N896 HydrophobicContact CB-CB 4.48Å; R869-N896 WeakPolarHBondContact CB-OD1 3.46Å; R869-N896 PolarHBondContact N-OD1 3.45Å; R869-N896 PolarHBondContact O-N 2.85Å; R869-N896 PolarHBondContact O-OD1 3.3Å | ||
| 870 | V | 96.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 135.1 | 175.8 | -174.1 | 0 | 0 | 0 | 0 | 110.5 | V804 S842 E843 L846 L862 V873 | V804-V870 HydrophobicContact CB-CG1 4.49Å; V804-V870 HydrophobicContact CG1-CG1 4.26Å; S842-V870 WeakPolarHBondContact O-CG2 3.26Å; E843-V870 PolarHBondContact O-N 3.32Å; L846-V870 HydrophobicContact CD2-CG2 4.3Å; L862-V870 HydrophobicContact CD2-CG2 3.52Å; V870-V873 HydrophobicContact CG1-CG2 3.3Å |
| 871 | R | 95.4 | Very high | 93.2 | Very high | 121 Ų | 121 | 41.5 Ų | 41.5 | 46% | 0.457 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | -44.4 | 172.8 | -73.4 | -59.6 | -159.9 | -162.9 | 7.4 | 113.4 | V804 L894 N896 I925 | V804-R871 WeakPolarHBondContact CG1-O 3.28Å; R871-L894 PolarHBondContact N-O 3.34Å; R871-N896 HydrophobicContact CG-CB 3.93Å; R871-I925 HydrophobicContact CB-CG2 4.15Å; R871-I925 HydrophobicContact CG-CG2 3.88Å |
| 872 | K | 94.8 | Very high | 92.9 | Very high | 68 Ų | 68 | 41.2 Ų | 41.2 | 30% | 0.296 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 149.1 | 177.4 | -160.5 | 168.2 | -173.2 | 164.1 | 0 | 110.1 | L894 C928 F930 | K872-L894 HydrophobicContact CB-CB 4.3Å; K872-L894 HydrophobicContact CB-CD2 4.47Å; K872-L894 PolarHBondContact N-O 2.81Å; K872-L894 PolarHBondContact O-N 3Å; K872-C928 WeakPolarHBondContact CD-O 3.5Å; K872-C928 WeakPolarHBondContact CE-O 3.33Å; K872-C928 PolarHBondContact NZ-O 3.36Å; K872-F930 HydrophobicContact CB-CE2 4.49Å |
| 873 | V | 95.8 | Very high | 92.7 | Very high | 22 Ų | 22 | 46.3 Ų | 46.3 | 13% | 0.133 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 138.6 | -175 | -178.2 | 0 | 0 | 0 | 0 | 109.3 | V804 A841 V870 L891 V892 | V804-V873 HydrophobicContact CG1-CG2 4.27Å; A841-V873 HydrophobicContact CB-CG1 4.39Å; A841-V873 HydrophobicContact CB-CG2 3.91Å; V870-V873 HydrophobicContact CG1-CG2 3.3Å; V873-L891 HydrophobicContact CG1-CD1 3.34Å; V873-L891 HydrophobicContact CG1-CG 4.08Å; V873-V892 WeakPolarHBondContact CA-O 3.49Å |
| 874 | A | 95.1 | Very high | 92.2 | Very high | 20 Ų | 20 | 53.1 Ų | 53.1 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 148.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V876 V892 F930 | A874-V876 HydrophobicContact CB-CG2 3.94Å; A874-V892 PolarHBondContact N-O 3.3Å; A874-V892 PolarHBondContact O-N 3.35Å; A874-F930 HydrophobicContact CB-CB 3.63Å; A874-F930 HydrophobicContact CB-CD2 3.65Å; A874-F930 HydrophobicContact CB-CG 3.87Å |
| 875 | L | 94.6 | Very high | 92 | Very high | 37 Ų | 37 | 60.5 Ų | 60.5 | 19% | 0.194 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 118.5 | 169.2 | -76.4 | 160.1 | 0 | 0 | 0 | 107.5 | S807 L809 P815 L839 L891 I905 | S807-L875 VanDerWaalsContact CB-CD1 3.4Å; S807-L875 WeakPolarHBondContact OG-CD1 3.19Å; L809-L875 HydrophobicContact CD2-CD1 4.43Å; P815-L875 HydrophobicContact CB-CD1 4.22Å; L839-L875 HydrophobicContact CD2-CD1 4.43Å; L839-L875 HydrophobicContact CD2-CD2 4.28Å; L875-L891 HydrophobicContact CD2-CB 4.32Å; L875-L891 HydrophobicContact CD2-CD1 3.69Å; L875-L891 HydrophobicContact CG-CD1 3.92Å; L875-I905 HydrophobicContact CD2-CD1 3.76Å; L875-I905 HydrophobicContact CD2-CG2 3.92Å |
| 876 | V | 95.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 140.9 | -164.2 | 174.6 | 0 | 0 | 0 | 0 | 109.6 | A874 F878 H889 T890 V892 G934 | A874-V876 HydrophobicContact CB-CG2 3.94Å; V876-F878 HydrophobicContact CB-CD2 4.22Å; V876-F878 HydrophobicContact CB-CE2 3.64Å; V876-F878 HydrophobicContact CB-CZ 4.26Å; V876-F878 HydrophobicContact CG1-CD2 3.77Å; V876-F878 HydrophobicContact CG1-CE1 4.3Å; V876-F878 HydrophobicContact CG1-CE2 3.34Å; V876-F878 HydrophobicContact CG1-CG 4.45Å; V876-F878 HydrophobicContact CG1-CZ 3.64Å; V876-H889 CarbonylContact O-C 3.46Å; V876-H889 WeakPolarHBondContact O-CA 3.44Å; V876-T890 PolarHBondContact N-O 2.78Å; V876-T890 PolarHBondContact O-N 3.32Å; V876-V892 HydrophobicContact CB-CG2 4.04Å; V876-V892 HydrophobicContact CG2-CB 4.46Å; V876-V892 HydrophobicContact CG2-CG2 3.67Å; V876-G934 VanDerWaalsContact CG1-CA 3.41Å |
| 877 | L | 93.3 | Very high | 92.2 | Very high | 46 Ų | 46 | 58 Ų | 58 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 103.5 | 176.6 | -176 | 61.4 | 0 | 0 | 0 | 110.5 | H879 K932 | L877-H879 PolarHBondContact O-ND1 3.43Å; L877-K932 PolarHBondContact N-O 3.4Å; L877-K932 VanDerWaalsContact N-O 3.13Å |
| 878 | F | 94.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 139.9 | 174.5 | -67.4 | -92 | 0 | 0 | 0 | 109.9 | L22 F23 V876 S887 E888 T890 V892 L902 L950 | L22-F878 HydrophobicContact CB-CB 4.35Å; L22-F878 HydrophobicContact CD2-CB 4.04Å; F23-F878 AromaticContact CD1-CD1 3.71Å; F23-F878 HydrophobicContact CD1-CD1 3.71Å; F23-F878 HydrophobicContact CD1-CD2 4.32Å; F23-F878 AromaticContact CD1-CE1 3.89Å; F23-F878 HydrophobicContact CD1-CE1 3.89Å; F23-F878 HydrophobicContact CD1-CE2 4.44Å; F23-F878 AromaticContact CD1-CG 3.93Å; F23-F878 HydrophobicContact CD1-CG 3.93Å; F23-F878 HydrophobicContact CD1-CZ 4.24Å; F23-F878 HydrophobicContact CE1-CB 4.08Å; F23-F878 AromaticContact CE1-CD1 3.89Å; F23-F878 HydrophobicContact CE1-CD1 3.89Å; F23-F878 AromaticContact CE1-CD2 3.7Å; F23-F878 HydrophobicContact CE1-CD2 3.7Å; F23-F878 HydrophobicContact CE1-CE1 4.23Å; F23-F878 HydrophobicContact CE1-CE2 4.02Å; F23-F878 AromaticContact CE1-CG 3.6Å; F23-F878 HydrophobicContact CE1-CG 3.6Å; F23-F878 HydrophobicContact CE1-CZ 4.28Å; V876-F878 HydrophobicContact CB-CD2 4.22Å; V876-F878 HydrophobicContact CB-CE2 3.64Å; V876-F878 HydrophobicContact CB-CZ 4.26Å; V876-F878 HydrophobicContact CG1-CD2 3.77Å; V876-F878 HydrophobicContact CG1-CE1 4.3Å; V876-F878 HydrophobicContact CG1-CE2 3.34Å; V876-F878 HydrophobicContact CG1-CG 4.45Å; V876-F878 HydrophobicContact CG1-CZ 3.64Å; F878-S887 CarbonylContact O-C 3.43Å; F878-S887 WeakPolarHBondContact O-CA 3.48Å; F878-S887 WeakPolarHBondContact O-CB 3.5Å; F878-E888 PolarHBondContact N-O 3.31Å; F878-E888 PolarHBondContact O-N 3.3Å; F878-T890 HydrophobicContact CD2-CG2 4.42Å; F878-T890 HydrophobicContact CE2-CG2 4.14Å; F878-V892 HydrophobicContact CE2-CG2 4.02Å; F878-V892 HydrophobicContact CZ-CG2 4.04Å; F878-L902 HydrophobicContact CE1-CD2 4.41Å; F878-L902 HydrophobicContact CE2-CD2 4.19Å; F878-L902 HydrophobicContact CZ-CD2 3.81Å; F878-L950 HydrophobicContact CE1-CB 3.89Å; F878-L950 WeakPolarHBondContact CE1-O 3.36Å; F878-L950 HydrophobicContact CZ-CB 4.08Å |
| 879 | H | 92.7 | Very high | 92.3 | Very high | 66 Ų | 66 | 58.8 Ų | 58.8 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 139.3 | -178.6 | -61.9 | 75.6 | 0 | 0 | 0 | 108.9 | L877 A881 Y886 K953 | L877-H879 PolarHBondContact O-ND1 3.43Å; H879-A881 PolarHBondContact O-N 3.23Å; H879-Y886 WeakPolarHBondContact CA-O 3.49Å; H879-K953 HydrophobicContact CB-CD 3.62Å |
| 880 | S | 92.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -66.1 | 135.4 | -179.8 | 169.4 | 0 | 0 | 0 | 0 | 111.2 | E21 A882 Q883 Y886 K953 | E21-S880 WeakPolarHBondContact CB-OG 3.22Å; E21-S880 CarbonylContact O-C 3.58Å; E21-S880 WeakPolarHBondContact O-CA 3.41Å; E21-S880 PolarHBondContact OE2-OG 2.97Å; S880-A882 PolarHBondContact OG-N 3.1Å; S880-Q883 WeakPolarHBondContact CB-O 3.43Å; S880-Q883 VanDerWaalsContact O-O 3.1Å; S880-Q883 PolarHBondContact OG-N 2.71Å; S880-Y886 PolarHBondContact N-O 2.96Å; S880-K953 WeakPolarHBondContact O-CD 3.24Å; S880-K953 WeakPolarHBondContact O-CE 3.26Å; S880-K953 PolarHBondContact O-NZ 3.17Å | ||
| 881 | A | 89.7 | Confident | 92.4 | Very high | 36 Ų | 36 | 53.7 Ų | 53.7 | 30% | 0.298 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -74 | -13.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E21 H879 A952 K953 | E21-A881 PolarHBondContact O-N 3.34Å; H879-A881 PolarHBondContact O-N 3.23Å; A881-A952 HydrophobicContact CB-CB 4.16Å; A881-K953 HydrophobicContact CB-CB 4.47Å |
| 882 | A | 88.6 | Confident | 92.5 | Very high | 70 Ų | 70 | 48 Ų | 48 | 58% | 0.579 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -113.9 | -17.8 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | E21 S880 | E21-A882 HydrophobicContact CG-CB 3.9Å; S880-A882 PolarHBondContact OG-N 3.1Å |
| 883 | Q | 88 | Confident | 92.5 | Very high | 108 Ų | 108 | 44.7 Ų | 44.7 | 51% | 0.505 | 24% | 0.242 | S | C | . | . | trans | -127.4 | 120.6 | 176 | -62.5 | -173.2 | -3.6 | 0 | 0 | 109.2 | S880 | S880-Q883 WeakPolarHBondContact CB-O 3.43Å; S880-Q883 VanDerWaalsContact O-O 3.1Å; S880-Q883 PolarHBondContact OG-N 2.71Å | ||
| 884 | E | 82.2 | Confident | 92.6 | Very high | 163 Ų | 163 | 43.7 Ų | 43.7 | 76% | 0.762 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -68.8 | -41.3 | -172.8 | -62.8 | -148.8 | 108.3 | 0 | 0 | 113.2 | Y886 | E884-Y886 PolarHBondContact O-N 2.73Š|
| 885 | D | 85.9 | Confident | 92.7 | Very high | 165 Ų | 165 | 42.7 Ų | 42.7 | 88% | 0.882 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -79.1 | -11.7 | -178.1 | -56.4 | -51.6 | 0 | 0 | 0 | 114.3 | ||
| 886 | Y | 91.3 | Very high | 92.7 | Very high | 79 Ų | 79 | 43.2 Ų | 43.2 | 31% | 0.31 | 23% | 0.231 | S | C | . | . | trans | -87.4 | 126.5 | -174.4 | -165.4 | -101.9 | 0 | 0 | 0 | 112.3 | I18 L22 H879 S880 E884 E888 | I18-Y886 HydrophobicContact CG2-CE1 3.92Å; L22-Y886 HydrophobicContact CD1-CE1 4.47Å; L22-Y886 HydrophobicContact CD2-CD1 4.42Å; H879-Y886 WeakPolarHBondContact CA-O 3.49Å; S880-Y886 PolarHBondContact N-O 2.96Å; E884-Y886 PolarHBondContact O-N 2.73Å; Y886-E888 HydrophobicContact CE1-CG 3.98Å; Y886-E888 PolarHBondContact OH-OE1 3.2Å | ||
| 887 | S | 91.8 | Very high | 92.8 | Very high | 53 Ų | 53 | 45.8 Ų | 45.8 | 37% | 0.371 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 147.7 | 175.1 | 57.7 | 0 | 0 | 0 | 0 | 113 | F878 | F878-S887 CarbonylContact O-C 3.43Å; F878-S887 WeakPolarHBondContact O-CA 3.48Å; F878-S887 WeakPolarHBondContact O-CB 3.5Å |
| 888 | E | 92.1 | Very high | 92.8 | Very high | 26 Ų | 26 | 43.6 Ų | 43.6 | 12% | 0.121 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 129.4 | 177 | -77.6 | -170.4 | -132.4 | 0 | 0 | 111 | R15 L22 F878 Y886 T890 | R15-E888 IonicContact CZ-OE1 3.97Å; R15-E888 VanDerWaalsContact CZ-OE1 3.29Å; R15-E888 IonicContact CZ-OE2 2.68Å; R15-E888 IonicContact NH1-OE1 3.1Å; R15-E888 PolarHBondContact NH1-OE1 3.26Å; R15-E888 IonicContact NH1-OE2 3.86Å; R15-E888 PolarHBondContact NH1-OE2 3.05Å; R15-E888 IonicContact NH2-OE1 2.75Å; R15-E888 PolarHBondContact NH2-OE1 3.3Å; R15-E888 IonicContact NH2-OE2 2.73Å; R15-E888 PolarHBondContact NH2-OE2 2.94Å; L22-E888 HydrophobicContact CD1-CB 4.14Å; L22-E888 HydrophobicContact CD1-CG 4.12Å; L22-E888 WeakPolarHBondContact CD1-OE1 2.78Å; F878-E888 PolarHBondContact N-O 3.31Å; F878-E888 PolarHBondContact O-N 3.3Å; Y886-E888 HydrophobicContact CE1-CG 3.98Å; Y886-E888 PolarHBondContact OH-OE1 3.2Å; E888-T890 PolarHBondContact O-N 3.44Å |
| 889 | H | 93.8 | Very high | 92.9 | Very high | 46 Ų | 46 | 44.2 Ų | 44.2 | 21% | 0.213 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 125.9 | 162.9 | -69 | -83.8 | 0 | 0 | 0 | 109.5 | V876 I905 | V876-H889 CarbonylContact O-C 3.46Å; V876-H889 WeakPolarHBondContact O-CA 3.44Å; H889-I905 HydrophobicContact CB-CD1 3.58Å; H889-I905 HydrophobicContact CB-CG1 4.2Å |
| 890 | T | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 143.3 | -179.2 | -62.3 | 0 | 0 | 0 | 0 | 109.7 | F23 V876 F878 E888 L902 F903 | F23-T890 HydrophobicContact CE1-CG2 4.12Å; F23-T890 HydrophobicContact CZ-CG2 4.17Å; V876-T890 PolarHBondContact N-O 2.78Å; V876-T890 PolarHBondContact O-N 3.32Å; F878-T890 HydrophobicContact CD2-CG2 4.42Å; F878-T890 HydrophobicContact CE2-CG2 4.14Å; E888-T890 PolarHBondContact O-N 3.44Å; T890-L902 HydrophobicContact CG2-CB 3.86Å; T890-L902 HydrophobicContact CG2-CD2 4.2Å; T890-L902 HydrophobicContact CG2-CG 4.13Å; T890-F903 WeakPolarHBondContact CG2-O 3.36Å |
| 891 | L | 96.8 | Very high | 93.2 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 114 | 175.2 | -174.9 | 71.2 | 0 | 0 | 0 | 109.5 | L839 L846 V873 L875 L902 F903 I905 L908 | L839-L891 HydrophobicContact CD1-CD2 4.45Å; L839-L891 HydrophobicContact CD2-CD1 3.68Å; L839-L891 HydrophobicContact CD2-CD2 4.02Å; L839-L891 HydrophobicContact CD2-CG 4.45Å; L846-L891 HydrophobicContact CD1-CD2 3.95Å; L846-L891 HydrophobicContact CD2-CD2 4.4Å; V873-L891 HydrophobicContact CG1-CD1 3.34Å; V873-L891 HydrophobicContact CG1-CG 4.08Å; L875-L891 HydrophobicContact CD2-CB 4.32Å; L875-L891 HydrophobicContact CD2-CD1 3.69Å; L875-L891 HydrophobicContact CG-CD1 3.92Å; L891-L902 WeakPolarHBondContact O-CA 3.34Å; L891-F903 HydrophobicContact CB-CB 4.29Å; L891-F903 PolarHBondContact N-O 3.26Å; L891-F903 PolarHBondContact O-N 3.44Å; L891-I905 HydrophobicContact CB-CG2 3.79Å; L891-L908 HydrophobicContact CD2-CD2 3.87Å |
| 892 | V | 97.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 129.9 | 174 | -172.5 | 0 | 0 | 0 | 0 | 108.8 | V873 A874 V876 F878 L902 F930 L950 | V873-V892 WeakPolarHBondContact CA-O 3.49Å; A874-V892 PolarHBondContact N-O 3.3Å; A874-V892 PolarHBondContact O-N 3.35Å; V876-V892 HydrophobicContact CB-CG2 4.04Å; V876-V892 HydrophobicContact CG2-CB 4.46Å; V876-V892 HydrophobicContact CG2-CG2 3.67Å; F878-V892 HydrophobicContact CE2-CG2 4.02Å; F878-V892 HydrophobicContact CZ-CG2 4.04Å; V892-L902 HydrophobicContact CG1-CD1 4.27Å; V892-L902 HydrophobicContact CG2-CG 4.25Å; V892-F930 HydrophobicContact CG1-CD1 4.28Å; V892-F930 HydrophobicContact CG1-CE1 3.65Å; V892-F930 HydrophobicContact CG1-CE2 4.24Å; V892-F930 HydrophobicContact CG1-CZ 3.62Å; V892-L950 HydrophobicContact CG1-CD1 3.66Å; V892-L950 HydrophobicContact CG2-CD1 4.3Å |
| 893 | C | 96.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 113.7 | 177.2 | -66 | 0 | 0 | 0 | 0 | 110.6 | M900 H901 F903 | C893-M900 WeakPolarHBondContact O-CA 3.47Å; C893-H901 PolarHBondContact N-O 2.98Å; C893-H901 PolarHBondContact O-N 3.47Å; C893-F903 HydrophobicContact CB-CE2 4.12Å |
| 894 | L | 97.6 | Very high | 94.1 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 135.5 | 165.8 | 177.2 | 64.7 | 0 | 0 | 0 | 109.5 | R871 K872 M900 I917 I925 C928 F930 | R871-L894 PolarHBondContact N-O 3.34Å; K872-L894 HydrophobicContact CB-CB 4.3Å; K872-L894 HydrophobicContact CB-CD2 4.47Å; K872-L894 PolarHBondContact N-O 2.81Å; K872-L894 PolarHBondContact O-N 3Å; L894-M900 HydrophobicContact CD1-CE 4.11Å; L894-M900 HydrophobicContact CD1-CG 4.1Å; L894-I917 HydrophobicContact CD1-CD1 4.25Å; L894-I925 HydrophobicContact CD2-CG2 4.24Å; L894-I925 WeakPolarHBondContact CD2-O 3.25Å; L894-C928 HydrophobicContact CD2-CB 3.55Å; L894-F930 HydrophobicContact CB-CE2 4.1Å; L894-F930 HydrophobicContact CB-CZ 3.96Å |
| 895 | T | 97.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 170.2 | -179.7 | 70.9 | 0 | 0 | 0 | 0 | 113.1 | L862 C868 R869 L897 G898 D899 H901 | L862-T895 HydrophobicContact CD2-CG2 4.32Å; C868-T895 HydrophobicContact CB-CG2 4.16Å; C868-T895 VanDerWaalsContact SG-CG2 3.55Å; R869-T895 CarbonylContact O-C 3.36Å; R869-T895 WeakPolarHBondContact O-CA 3.41Å; T895-L897 PolarHBondContact O-N 3.47Å; T895-L897 PolarHBondContact OG1-N 3.19Å; T895-G898 PolarHBondContact O-N 2.84Å; T895-D899 HydrophobicContact CG2-CB 4.5Å; T895-D899 WeakPolarHBondContact CG2-O 3.39Å; T895-D899 PolarHBondContact N-O 2.79Å; T895-D899 PolarHBondContact OG1-N 3.22Å; T895-D899 PolarHBondContact OG1-O 3.08Å; T895-H901 VanDerWaalsContact CG2-CD2 3.46Å; T895-H901 WeakPolarHBondContact CG2-CD2 3.4Å |
| 896 | N | 94.9 | Very high | 94.9 | Very high | 48 Ų | 48 | 19.3 Ų | 19.3 | 26% | 0.257 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -3.2 | 171.4 | 80.7 | -86.8 | 0 | 0 | 0 | 114.2 | R869 R871 | R869-N896 HydrophobicContact CB-CB 4.48Å; R869-N896 WeakPolarHBondContact CB-OD1 3.46Å; R869-N896 PolarHBondContact N-OD1 3.45Å; R869-N896 PolarHBondContact O-N 2.85Å; R869-N896 PolarHBondContact O-OD1 3.3Å; R871-N896 HydrophobicContact CG-CB 3.93Å |
| 897 | L | 95.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 17.4 Ų | 17.4 | 29% | 0.293 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.4 | -9.5 | 174.9 | -58 | -178.4 | 0 | 0 | 0 | 111.9 | C868 T895 K919 | C868-L897 HydrophobicContact CB-CD1 3.75Å; C868-L897 HydrophobicContact CB-CG 4.01Å; T895-L897 PolarHBondContact O-N 3.47Å; T895-L897 PolarHBondContact OG1-N 3.19Å; L897-K919 HydrophobicContact CB-CB 4.41Å; L897-K919 HydrophobicContact CD2-CB 4.33Å; L897-K919 VanDerWaalsContact O-CA 3.23Å; L897-K919 WeakPolarHBondContact O-CA 3.42Å; L897-K919 WeakPolarHBondContact O-CB 3.34Å; L897-K919 PolarHBondContact O-N 2.79Å |
| 898 | G | 94.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.086 | C | C | . | . | S | Bend | trans | 92.5 | -7.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | T895 C916 I917 | T895-G898 PolarHBondContact O-N 2.84Å; G898-C916 PolarHBondContact O-N 2.9Å; G898-I917 WeakPolarHBondContact CA-O 3.37Å; G898-I917 PolarHBondContact O-N 2.85Å; G898-I917 VanDerWaalsContact O-N 3.14Å |
| 899 | D | 95.7 | Very high | 95.1 | Very high | 12 Ų | 12 | 21.3 Ų | 21.3 | 6% | 0.064 | 11% | 0.108 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 146.3 | 174.8 | -38.5 | -22.8 | 0 | 0 | 0 | 111.4 | T895 R913 Y914 | T895-D899 HydrophobicContact CG2-CB 4.5Å; T895-D899 WeakPolarHBondContact CG2-O 3.39Å; T895-D899 PolarHBondContact N-O 2.79Å; T895-D899 PolarHBondContact OG1-N 3.22Å; T895-D899 PolarHBondContact OG1-O 3.08Å; D899-R913 VanDerWaalsContact CG-NH2 3.33Å; D899-R913 IonicContact OD1-NH2 3.93Å; D899-R913 IonicContact OD2-CZ 3.14Å; D899-R913 VanDerWaalsContact OD2-CZ 3.24Å; D899-R913 IonicContact OD2-NE 3.42Å; D899-R913 IonicContact OD2-NH1 2.75Å; D899-R913 IonicContact OD2-NH2 2.91Å; D899-R913 PolarHBondContact OD2-NH2 2.87Å; D899-Y914 CarbonylContact C-O 3.58Å; D899-Y914 WeakPolarHBondContact CA-O 3.37Å |
| 900 | M | 95.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 119 | 175.7 | -61.6 | -176.6 | -178.1 | 0 | 0 | 110.5 | C893 L894 R913 Y914 C916 F930 F948 L950 | C893-M900 WeakPolarHBondContact O-CA 3.47Å; L894-M900 HydrophobicContact CD1-CE 4.11Å; L894-M900 HydrophobicContact CD1-CG 4.1Å; M900-R913 WeakPolarHBondContact O-CA 3.13Å; M900-Y914 PolarHBondContact N-O 2.85Å; M900-Y914 PolarHBondContact O-N 2.86Å; M900-C916 HydrophobicContact CE-CB 3.82Å; M900-C916 WeakPolarHBondContact CE-SG 3.18Å; M900-C916 HydrophobicContact CG-CB 4.22Å; M900-C916 HydrophobicContact SD-CB 4.1Å; M900-F930 HydrophobicContact CE-CE1 4.11Å; M900-F930 HydrophobicContact CE-CZ 4.34Å; M900-F930 HydrophobicContact SD-CE1 3.93Å; M900-F930 HydrophobicContact SD-CZ 4.29Å; M900-F948 HydrophobicContact CE-CD1 4.38Å; M900-F948 HydrophobicContact CE-CD2 4.28Å; M900-F948 HydrophobicContact CE-CE1 3.72Å; M900-F948 HydrophobicContact CE-CE2 3.62Å; M900-F948 HydrophobicContact CE-CZ 3.29Å; M900-F948 HydrophobicContact SD-CD2 4.22Å; M900-F948 HydrophobicContact SD-CE2 3.63Å; M900-F948 HydrophobicContact SD-CZ 3.95Å; M900-L950 HydrophobicContact CB-CD2 4.48Å; M900-L950 HydrophobicContact SD-CD1 4.04Å; M900-L950 HydrophobicContact SD-CD2 4.03Å; M900-L950 HydrophobicContact SD-CG 4.4Å |
| 901 | H | 96 | Very high | 94.9 | Very high | 9 Ų | 9 | 23.5 Ų | 23.5 | 4% | 0.042 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 133.3 | 177.3 | -66.4 | -116.3 | 0 | 0 | 0 | 110.5 | E866 C893 T895 F903 | E866-H901 IonicContact OE2-CE1 3.09Å; E866-H901 PolarHBondContact OE2-CE1 3.48Å; C893-H901 PolarHBondContact N-O 2.98Å; C893-H901 PolarHBondContact O-N 3.47Å; T895-H901 VanDerWaalsContact CG2-CD2 3.46Å; T895-H901 WeakPolarHBondContact CG2-CD2 3.4Å; H901-F903 HydrophobicContact CB-CD2 4.45Å; H901-F903 HydrophobicContact CB-CE2 3.52Å; H901-F903 HydrophobicContact CB-CZ 3.83Å |
| 902 | L | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 132.2 | 179.4 | -80 | 69.5 | 0 | 0 | 0 | 110.7 | F23 F878 T890 L891 V892 P910 Q911 V912 Y914 L950 | F23-L902 HydrophobicContact CD1-CD2 3.46Å; F23-L902 VanDerWaalsContact CD1-CD2 3.46Å; F23-L902 HydrophobicContact CE1-CD2 3.7Å; F23-L902 HydrophobicContact CG-CD2 4.09Å; F23-L902 HydrophobicContact CZ-CD2 4.48Å; F878-L902 HydrophobicContact CE1-CD2 4.41Å; F878-L902 HydrophobicContact CE2-CD2 4.19Å; F878-L902 HydrophobicContact CZ-CD2 3.81Å; T890-L902 HydrophobicContact CG2-CB 3.86Å; T890-L902 HydrophobicContact CG2-CD2 4.2Å; T890-L902 HydrophobicContact CG2-CG 4.13Å; L891-L902 WeakPolarHBondContact O-CA 3.34Å; V892-L902 HydrophobicContact CG1-CD1 4.27Å; V892-L902 HydrophobicContact CG2-CG 4.25Å; L902-P910 CarbonylContact O-C 3.58Å; L902-Q911 PolarHBondContact O-N 2.89Å; L902-V912 HydrophobicContact CB-CG2 3.82Å; L902-V912 HydrophobicContact CD1-CG2 4.22Å; L902-V912 HydrophobicContact CD2-CG2 3.84Å; L902-V912 HydrophobicContact CG-CG2 4.16Å; L902-V912 PolarHBondContact N-O 3.05Å; L902-Y914 HydrophobicContact CD1-CD2 4.42Å; L902-L950 HydrophobicContact CD1-CD1 4.42Å; L902-L950 HydrophobicContact CD1-CD2 4.34Å |
| 903 | F | 95.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 0% | 0.004 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 140.3 | -178.7 | -53.9 | -100.2 | 0 | 0 | 0 | 112.3 | L846 F860 L862 T890 L891 C893 H901 R909 P910 | L846-F903 HydrophobicContact CD1-CD1 4.37Å; L846-F903 HydrophobicContact CD1-CD2 3.92Å; L846-F903 HydrophobicContact CD1-CE1 4.26Å; L846-F903 HydrophobicContact CD1-CE2 3.8Å; L846-F903 HydrophobicContact CD1-CG 4.22Å; L846-F903 HydrophobicContact CD1-CZ 3.99Å; F860-F903 HydrophobicContact CD1-CD1 4.46Å; F860-F903 AromaticContact CD1-CE1 3.52Å; F860-F903 HydrophobicContact CD1-CE1 3.52Å; F860-F903 AromaticContact CD1-CZ 4Å; F860-F903 HydrophobicContact CD1-CZ 4Å; F860-F903 HydrophobicContact CD2-CE1 4.4Å; F860-F903 AromaticContact CE1-CE1 3.57Å; F860-F903 HydrophobicContact CE1-CE1 3.57Å; F860-F903 AromaticContact CE1-CZ 3.94Å; F860-F903 HydrophobicContact CE1-CZ 3.94Å; F860-F903 HydrophobicContact CE2-CE1 4.46Å; F860-F903 AromaticContact CG-CE1 3.96Å; F860-F903 HydrophobicContact CG-CE1 3.96Å; F860-F903 HydrophobicContact CZ-CE1 4.07Å; L862-F903 HydrophobicContact CD1-CZ 4.26Å; T890-F903 WeakPolarHBondContact CG2-O 3.36Å; L891-F903 HydrophobicContact CB-CB 4.29Å; L891-F903 PolarHBondContact N-O 3.26Å; L891-F903 PolarHBondContact O-N 3.44Å; C893-F903 HydrophobicContact CB-CE2 4.12Å; H901-F903 HydrophobicContact CB-CD2 4.45Å; H901-F903 HydrophobicContact CB-CE2 3.52Å; H901-F903 HydrophobicContact CB-CZ 3.83Å; F903-R909 WeakPolarHBondContact CA-O 3.41Å; F903-P910 HydrophobicContact CD1-CB 4.34Å; F903-P910 HydrophobicContact CD1-CG 4.06Å; F903-P910 HydrophobicContact CE1-CB 4.28Å; F903-P910 HydrophobicContact CE1-CG 3.85Å |
| 904 | T | 94.5 | Very high | 94.7 | Very high | 18 Ų | 18 | 32.4 Ų | 32.4 | 11% | 0.11 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 143 | 169.6 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | L908 R909 Q911 | T904-L908 VanDerWaalsContact O-CA 3.25Å; T904-L908 WeakPolarHBondContact O-CA 3.46Å; T904-L908 PolarHBondContact O-N 2.85Å; T904-R909 PolarHBondContact N-O 3.05Å; T904-R909 WeakPolarHBondContact OG1-CB 3.33Å; T904-R909 PolarHBondContact OG1-N 3.13Å; T904-R909 PolarHBondContact OG1-O 3.15Å; T904-Q911 HydrophobicContact CG2-CG 3.81Å |
| 905 | I | 92.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 37.4 Ų | 37.4 | 13% | 0.128 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.1 | 152.3 | 170.2 | 68.6 | -178.2 | 0 | 0 | 0 | 110.6 | L809 G813 L875 H889 L891 | L809-I905 HydrophobicContact CD1-CB 4.36Å; L809-I905 HydrophobicContact CD2-CD1 4.1Å; G813-I905 WeakPolarHBondContact O-CD1 3.34Å; L875-I905 HydrophobicContact CD2-CD1 3.76Å; L875-I905 HydrophobicContact CD2-CG2 3.92Å; H889-I905 HydrophobicContact CB-CD1 3.58Å; H889-I905 HydrophobicContact CB-CG1 4.2Å; L891-I905 HydrophobicContact CB-CG2 3.79Å |
| 906 | P | 90.4 | Very high | 94.4 | Very high | 33 Ų | 33 | 37.8 Ų | 37.8 | 21% | 0.214 | 19% | 0.191 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -78.3 | 9 | -15 | 34.9 | -35.8 | 0 | 0 | 0 | 112.9 | L809 V848 T858 L908 | L809-P906 HydrophobicContact CD1-CB 3.98Å; V848-P906 HydrophobicContact CG1-CB 4.39Å; V848-P906 HydrophobicContact CG2-CB 4.47Å; T858-P906 PolarHBondContact OG1-O 3.24Å; P906-L908 PolarHBondContact O-N 3.21Å |
| 907 | A | 93 | Very high | 94.4 | Very high | 39 Ų | 39 | 36 Ų | 36 | 32% | 0.322 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -20.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | R909 | A907-R909 VanDerWaalsContact C-N 3.28Å; A907-R909 HydrophobicContact CB-CG 4.09Å; A907-R909 PolarHBondContact O-N 2.82Å |
| 908 | L | 94.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 39.4 Ų | 39.4 | 4% | 0.037 | 19% | 0.19 | C | C | . | . | trans | 53.1 | 37.6 | -175.5 | -60.4 | 180 | 0 | 0 | 0 | 114.1 | L839 L846 V848 F860 L891 T904 P906 | L839-L908 HydrophobicContact CD1-CD2 4.09Å; L846-L908 HydrophobicContact CB-CD1 3.9Å; L846-L908 HydrophobicContact CB-CD2 4.28Å; V848-L908 HydrophobicContact CG2-CD1 4.03Å; V848-L908 HydrophobicContact CG2-CG 4.16Å; F860-L908 HydrophobicContact CB-CB 4.28Å; L891-L908 HydrophobicContact CD2-CD2 3.87Å; T904-L908 VanDerWaalsContact O-CA 3.25Å; T904-L908 WeakPolarHBondContact O-CA 3.46Å; T904-L908 PolarHBondContact O-N 2.85Å; P906-L908 PolarHBondContact O-N 3.21Å | ||
| 909 | R | 93 | Very high | 94.2 | Very high | 153 Ų | 153 | 45.6 Ų | 45.6 | 58% | 0.577 | 22% | 0.217 | S | C | * | . | trans | -88.8 | 126.2 | 173.6 | -54.8 | -179.6 | -175.3 | 172.6 | 3.8 | 109.8 | F903 T904 A907 | F903-R909 WeakPolarHBondContact CA-O 3.41Å; T904-R909 PolarHBondContact N-O 3.05Å; T904-R909 WeakPolarHBondContact OG1-CB 3.33Å; T904-R909 PolarHBondContact OG1-N 3.13Å; T904-R909 PolarHBondContact OG1-O 3.15Å; A907-R909 VanDerWaalsContact C-N 3.28Å; A907-R909 HydrophobicContact CB-CG 4.09Å; A907-R909 PolarHBondContact O-N 2.82Å | ||
| 910 | P | 93.1 | Very high | 94.1 | Very high | 67 Ų | 67 | 51.1 Ų | 51.1 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -53.3 | 144.5 | 170.5 | -21.5 | 30 | 0 | 0 | 0 | 111.4 | F860 L902 F903 | F860-P910 HydrophobicContact CD2-CG 4.39Å; F860-P910 HydrophobicContact CE2-CG 3.68Å; F860-P910 HydrophobicContact CZ-CG 3.85Å; L902-P910 CarbonylContact O-C 3.58Å; F903-P910 HydrophobicContact CD1-CB 4.34Å; F903-P910 HydrophobicContact CD1-CG 4.06Å; F903-P910 HydrophobicContact CE1-CB 4.28Å; F903-P910 HydrophobicContact CE1-CG 3.85Å |
| 911 | Q | 93.1 | Very high | 93.9 | Very high | 25 Ų | 25 | 52 Ų | 52 | 12% | 0.117 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | -56.8 | 176.4 | -64.4 | -61.3 | -88.8 | 0 | 0 | 111.5 | R15 K19 F23 L902 T904 | R15-Q911 VanDerWaalsContact CZ-OE1 3.32Å; K19-Q911 HydrophobicContact CD-CB 4.48Å; K19-Q911 WeakPolarHBondContact CD-O 3.5Å; K19-Q911 WeakPolarHBondContact CE-O 3.26Å; K19-Q911 PolarHBondContact NZ-O 2.68Å; F23-Q911 HydrophobicContact CE2-CB 4.11Å; F23-Q911 HydrophobicContact CE2-CG 4.44Å; L902-Q911 PolarHBondContact O-N 2.89Å; T904-Q911 HydrophobicContact CG2-CG 3.81Å |
| 912 | V | 93.7 | Very high | 93.7 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 20% | 0.2 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 159.6 | -179.7 | -66.2 | 0 | 0 | 0 | 0 | 110 | K19 F23 L902 Y914 | K19-V912 HydrophobicContact CD-CG1 4.09Å; F23-V912 HydrophobicContact CB-CG2 4.16Å; F23-V912 HydrophobicContact CD2-CG1 4.4Å; F23-V912 HydrophobicContact CD2-CG2 4.22Å; F23-V912 HydrophobicContact CG-CG2 4.18Å; L902-V912 HydrophobicContact CB-CG2 3.82Å; L902-V912 HydrophobicContact CD1-CG2 4.22Å; L902-V912 HydrophobicContact CD2-CG2 3.84Å; L902-V912 HydrophobicContact CG-CG2 4.16Å; L902-V912 PolarHBondContact N-O 3.05Å; V912-Y914 HydrophobicContact CB-CE2 4.07Å; V912-Y914 HydrophobicContact CG2-CD2 4.25Å; V912-Y914 HydrophobicContact CG2-CE2 3.47Å; V912-Y914 VanDerWaalsContact CG2-CE2 3.47Å |
| 913 | R | 94.6 | Very high | 93.4 | Very high | 108 Ų | 108 | 58.7 Ų | 58.7 | 41% | 0.408 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 138.3 | 171.3 | 170.1 | -174.5 | 165.9 | 149.8 | 1.4 | 107.3 | E866 D899 M900 D915 | E866-R913 IonicContact OE2-NH1 3.91Å; E866-R913 PolarHBondContact OE2-NH1 2.97Å; D899-R913 VanDerWaalsContact CG-NH2 3.33Å; D899-R913 IonicContact OD1-NH2 3.93Å; D899-R913 IonicContact OD2-CZ 3.14Å; D899-R913 VanDerWaalsContact OD2-CZ 3.24Å; D899-R913 IonicContact OD2-NE 3.42Å; D899-R913 IonicContact OD2-NH1 2.75Å; D899-R913 IonicContact OD2-NH2 2.91Å; D899-R913 PolarHBondContact OD2-NH2 2.87Å; M900-R913 WeakPolarHBondContact O-CA 3.13Å; R913-D915 IonicContact CZ-OD1 3.45Å; R913-D915 IonicContact NE-OD1 2.64Å; R913-D915 PolarHBondContact NE-OD1 2.81Å; R913-D915 IonicContact NH2-OD1 3.69Å; R913-D915 PolarHBondContact NH2-OD1 2.84Å |
| 914 | Y | 96.1 | Very high | 93.3 | Very high | 46 Ų | 46 | 58.7 Ų | 58.7 | 18% | 0.18 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 131.8 | 172.7 | -55.4 | -70.3 | 0 | 0 | 0 | 109.6 | F23 F25 D899 M900 L902 V912 L950 | F23-Y914 WeakPolarHBondContact CB-OH 3.49Å; F23-Y914 PolarHBondContact O-OH 2.79Å; F25-Y914 HydrophobicContact CB-CD1 3.4Å; F25-Y914 VanDerWaalsContact CB-CD1 3.4Å; F25-Y914 HydrophobicContact CB-CD2 3.86Å; F25-Y914 HydrophobicContact CB-CE1 3.71Å; F25-Y914 HydrophobicContact CB-CE2 4.12Å; F25-Y914 HydrophobicContact CB-CG 3.47Å; F25-Y914 VanDerWaalsContact CB-CG 3.47Å; F25-Y914 HydrophobicContact CD1-CG 4.5Å; F25-Y914 HydrophobicContact CG-CD1 4.19Å; F25-Y914 HydrophobicContact CG-CD2 4.49Å; F25-Y914 AromaticContact CG-CG 3.95Å; F25-Y914 HydrophobicContact CG-CG 3.95Å; D899-Y914 CarbonylContact C-O 3.58Å; D899-Y914 WeakPolarHBondContact CA-O 3.37Å; M900-Y914 PolarHBondContact N-O 2.85Å; M900-Y914 PolarHBondContact O-N 2.86Å; L902-Y914 HydrophobicContact CD1-CD2 4.42Å; V912-Y914 HydrophobicContact CB-CE2 4.07Å; V912-Y914 HydrophobicContact CG2-CD2 4.25Å; V912-Y914 HydrophobicContact CG2-CE2 3.47Å; V912-Y914 VanDerWaalsContact CG2-CE2 3.47Å; Y914-L950 HydrophobicContact CD2-CD2 3.61Å; Y914-L950 HydrophobicContact CE2-CD2 4.12Å |
| 915 | D | 94.8 | Very high | 93.3 | Very high | 105 Ų | 105 | 58.4 Ų | 58.4 | 56% | 0.561 | 28% | 0.284 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 118.6 | 175.4 | -46 | -40.9 | 0 | 0 | 0 | 107.2 | R913 | R913-D915 IonicContact CZ-OD1 3.45Å; R913-D915 IonicContact NE-OD1 2.64Å; R913-D915 PolarHBondContact NE-OD1 2.81Å; R913-D915 IonicContact NH2-OD1 3.69Å; R913-D915 PolarHBondContact NH2-OD1 2.84Å |
| 916 | C | 93.7 | Very high | 93.3 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 6% | 0.061 | 31% | 0.306 | C | S | . | . | trans | -121.6 | -54.9 | -166 | 175.5 | 0 | 0 | 0 | 0 | 113 | F25 G898 M900 | F25-C916 HydrophobicContact CE1-CB 4.43Å; F25-C916 HydrophobicContact CE2-CB 3.91Å; F25-C916 HydrophobicContact CZ-CB 3.6Å; F25-C916 VanDerWaalsContact CZ-SG 3.54Å; G898-C916 PolarHBondContact O-N 2.9Å; M900-C916 HydrophobicContact CE-CB 3.82Å; M900-C916 WeakPolarHBondContact CE-SG 3.18Å; M900-C916 HydrophobicContact CG-CB 4.22Å; M900-C916 HydrophobicContact SD-CB 4.1Å | ||
| 917 | I | 95.6 | Very high | 93.6 | Very high | 9 Ų | 9 | 60 Ų | 60 | 5% | 0.046 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -104.8 | 151.4 | 179.7 | -47 | 178.6 | 0 | 0 | 0 | 108.6 | L894 G898 D921 I925 C928 Y938 | L894-I917 HydrophobicContact CD1-CD1 4.25Å; G898-I917 WeakPolarHBondContact CA-O 3.37Å; G898-I917 PolarHBondContact O-N 2.85Å; G898-I917 VanDerWaalsContact O-N 3.14Å; I917-D921 HydrophobicContact CG2-CB 4.06Å; I917-I925 HydrophobicContact CB-CG1 4.1Å; I917-I925 HydrophobicContact CD1-CG1 4.33Å; I917-I925 HydrophobicContact CG2-CG1 3.82Å; I917-C928 HydrophobicContact CD1-CB 4.14Å; I917-Y938 HydrophobicContact CB-CE2 4.44Å; I917-Y938 HydrophobicContact CD1-CD1 3.98Å; I917-Y938 HydrophobicContact CD1-CD2 3.85Å; I917-Y938 HydrophobicContact CD1-CE1 4.48Å; I917-Y938 HydrophobicContact CD1-CE2 4.35Å; I917-Y938 HydrophobicContact CD1-CG 3.62Å; I917-Y938 HydrophobicContact CG1-CD1 3.94Å; I917-Y938 HydrophobicContact CG1-CD2 4Å; I917-Y938 HydrophobicContact CG1-CE1 3.93Å; I917-Y938 HydrophobicContact CG1-CE2 3.99Å; I917-Y938 HydrophobicContact CG1-CG 3.96Å; I917-Y938 HydrophobicContact CG2-CD2 4.18Å; I917-Y938 HydrophobicContact CG2-CE2 3.91Å |
| 918 | R | 93.2 | Very high | 93.7 | Very high | 128 Ų | 128 | 58.1 Ų | 58.1 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | trans | -71.4 | 139.7 | 172.7 | -70 | 179.7 | -69.6 | -164.4 | -5.2 | 110.6 | E920 D921 T986 | R918-E920 PolarHBondContact O-N 3.44Å; R918-E920 VanDerWaalsContact O-N 3.17Å; R918-D921 HydrophobicContact CB-CB 4.23Å; R918-D921 PolarHBondContact O-N 2.83Å; R918-T986 HydrophobicContact CG-CG2 3.91Å | ||
| 919 | K | 93.4 | Very high | 93.8 | Very high | 131 Ų | 131 | 58.1 Ų | 58.1 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.7 | 177.4 | 67.2 | -176.3 | -179.9 | -174.8 | 0 | 113.4 | L897 | L897-K919 HydrophobicContact CB-CB 4.41Å; L897-K919 HydrophobicContact CD2-CB 4.33Å; L897-K919 VanDerWaalsContact O-CA 3.23Å; L897-K919 WeakPolarHBondContact O-CA 3.42Å; L897-K919 WeakPolarHBondContact O-CB 3.34Å; L897-K919 PolarHBondContact O-N 2.79Å |
| 920 | E | 93.1 | Very high | 94 | Very high | 128 Ų | 128 | 51.8 Ų | 51.8 | 60% | 0.598 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -24.9 | 174.7 | -61.3 | 74 | -161.5 | 0 | 0 | 112.6 | R918 I922 | R918-E920 PolarHBondContact O-N 3.44Å; R918-E920 VanDerWaalsContact O-N 3.17Å; E920-I922 VanDerWaalsContact C-N 3.3Å; E920-I922 PolarHBondContact O-N 3.36Å |
| 921 | D | 91.8 | Very high | 94 | Very high | 19 Ų | 19 | 48.9 Ų | 48.9 | 10% | 0.102 | 25% | 0.245 | C | C | . | . | trans | -86.9 | 71.1 | -176.4 | -173.3 | 11.5 | 0 | 0 | 0 | 111.7 | I917 R918 S923 G924 I925 | I917-D921 HydrophobicContact CG2-CB 4.06Å; R918-D921 HydrophobicContact CB-CB 4.23Å; R918-D921 PolarHBondContact O-N 2.83Å; D921-S923 PolarHBondContact O-N 3.38Å; D921-S923 WeakPolarHBondContact OD1-CB 3.16Å; D921-S923 PolarHBondContact OD1-N 2.87Å; D921-S923 PolarHBondContact OD1-OG 2.89Å; D921-G924 PolarHBondContact O-N 2.92Å; D921-G924 PolarHBondContact OD1-N 3.48Å; D921-I925 WeakPolarHBondContact O-CG1 3.47Å; D921-I925 PolarHBondContact O-N 3.17Å | ||
| 922 | I | 91.8 | Very high | 93.9 | Very high | 99 Ų | 99 | 51.6 Ų | 51.6 | 51% | 0.508 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.4 | -29.9 | 175 | -54.8 | 172.8 | 0 | 0 | 0 | 110.9 | V664 E920 A926 | V664-I922 HydrophobicContact CG2-CG2 4.07Å; E920-I922 VanDerWaalsContact C-N 3.3Å; E920-I922 PolarHBondContact O-N 3.36Å; I922-A926 WeakPolarHBondContact O-CB 3.5Å; I922-A926 PolarHBondContact O-N 2.86Å |
| 923 | S | 90.2 | Very high | 93.7 | Very high | 50 Ų | 50 | 51.1 Ų | 51.1 | 35% | 0.35 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.2 | -52.2 | 175.8 | 13.2 | 0 | 0 | 0 | 0 | 112.3 | D921 A926 S927 | D921-S923 PolarHBondContact O-N 3.38Å; D921-S923 WeakPolarHBondContact OD1-CB 3.16Å; D921-S923 PolarHBondContact OD1-N 2.87Å; D921-S923 PolarHBondContact OD1-OG 2.89Å; S923-A926 PolarHBondContact O-N 3.25Å; S923-S927 WeakPolarHBondContact O-CB 3.43Å; S923-S927 PolarHBondContact O-N 3.36Å; S923-S927 PolarHBondContact O-OG 2.9Å |
| 924 | G | 92.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -59.6 | -48.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | D921 A926 S927 C928 L939 | D921-G924 PolarHBondContact O-N 2.92Å; D921-G924 PolarHBondContact OD1-N 3.48Å; G924-A926 VanDerWaalsContact C-N 3.29Å; G924-A926 PolarHBondContact O-N 3.45Å; G924-S927 WeakPolarHBondContact CA-OG 3.44Å; G924-S927 PolarHBondContact O-N 3.39Å; G924-S927 PolarHBondContact O-OG 2.92Å; G924-S927 VanDerWaalsContact O-OG 3.12Å; G924-C928 WeakPolarHBondContact O-CB 3.33Å; G924-C928 PolarHBondContact O-N 3.13Å; G924-L939 VanDerWaalsContact CA-O 3.3Å; G924-L939 WeakPolarHBondContact CA-O 3.29Å |
| 925 | I | 94.9 | Very high | 93.5 | Very high | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60.9 | -36 | 179.8 | -65.3 | 171.8 | 0 | 0 | 0 | 112.2 | R871 L894 I917 D921 | R871-I925 HydrophobicContact CB-CG2 4.15Å; R871-I925 HydrophobicContact CG-CG2 3.88Å; L894-I925 HydrophobicContact CD2-CG2 4.24Å; L894-I925 WeakPolarHBondContact CD2-O 3.25Å; I917-I925 HydrophobicContact CB-CG1 4.1Å; I917-I925 HydrophobicContact CD1-CG1 4.33Å; I917-I925 HydrophobicContact CG2-CG1 3.82Å; D921-I925 WeakPolarHBondContact O-CG1 3.47Å; D921-I925 PolarHBondContact O-N 3.17Å |
| 926 | A | 92.9 | Very high | 93.6 | Very high | 73 Ų | 73 | 39 Ų | 39 | 60% | 0.603 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -79.1 | -37.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | I922 S923 G924 | I922-A926 WeakPolarHBondContact O-CB 3.5Å; I922-A926 PolarHBondContact O-N 2.86Å; S923-A926 PolarHBondContact O-N 3.25Å; G924-A926 VanDerWaalsContact C-N 3.29Å; G924-A926 PolarHBondContact O-N 3.45Å |
| 927 | S | 95.6 | Very high | 93.7 | Very high | 18 Ų | 18 | 38.5 Ų | 38.5 | 13% | 0.126 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -78.7 | -21.1 | -178.9 | 59.6 | 0 | 0 | 0 | 0 | 113.9 | S406 S923 G924 V929 L939 | S406-S927 PolarHBondContact OG-O 3.12Å; S406-S927 VanDerWaalsContact OG-O 3.1Å; S923-S927 WeakPolarHBondContact O-CB 3.43Å; S923-S927 PolarHBondContact O-N 3.36Å; S923-S927 PolarHBondContact O-OG 2.9Å; G924-S927 WeakPolarHBondContact CA-OG 3.44Å; G924-S927 PolarHBondContact O-N 3.39Å; G924-S927 PolarHBondContact O-OG 2.92Å; G924-S927 VanDerWaalsContact O-OG 3.12Å; S927-V929 PolarHBondContact O-N 3.29Å; S927-L939 WeakPolarHBondContact OG-CB 3.5Å; S927-L939 PolarHBondContact OG-N 2.94Å |
| 928 | C | 97.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -49.8 | 130.6 | -176.2 | -173.8 | 0 | 0 | 0 | 0 | 112.9 | K872 L894 I917 G924 F937 | K872-C928 WeakPolarHBondContact CD-O 3.5Å; K872-C928 WeakPolarHBondContact CE-O 3.33Å; K872-C928 PolarHBondContact NZ-O 3.36Å; L894-C928 HydrophobicContact CD2-CB 3.55Å; I917-C928 HydrophobicContact CD1-CB 4.14Å; G924-C928 WeakPolarHBondContact O-CB 3.33Å; G924-C928 PolarHBondContact O-N 3.13Å; C928-F937 CarbonylContact C-O 3.52Å; C928-F937 VanDerWaalsContact CA-O 3.22Å; C928-F937 WeakPolarHBondContact CA-O 3.49Å | ||
| 929 | V | 96.4 | Very high | 93.9 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 5% | 0.048 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 141.6 | 176.1 | 61.1 | 0 | 0 | 0 | 0 | 110.3 | H408 L455 S927 G936 F937 | H408-V929 HydrophobicContact CB-CG2 3.92Å; L455-V929 HydrophobicContact CD1-CG1 4.23Å; S927-V929 PolarHBondContact O-N 3.29Å; V929-G936 CarbonylContact O-C 3.56Å; V929-G936 WeakPolarHBondContact O-CA 3.32Å; V929-F937 HydrophobicContact CG1-CB 4.01Å; V929-F937 HydrophobicContact CG1-CD2 4.2Å; V929-F937 PolarHBondContact N-O 2.88Å; V929-F937 PolarHBondContact O-N 3.15Å |
| 930 | F | 95.9 | Very high | 94 | Very high | 20 Ų | 20 | 29 Ų | 29 | 9% | 0.088 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 149.8 | 179.9 | -66.6 | -66.4 | 0 | 0 | 0 | 110.7 | K872 A874 V892 L894 M900 F948 L950 | K872-F930 HydrophobicContact CB-CE2 4.49Å; A874-F930 HydrophobicContact CB-CB 3.63Å; A874-F930 HydrophobicContact CB-CD2 3.65Å; A874-F930 HydrophobicContact CB-CG 3.87Å; V892-F930 HydrophobicContact CG1-CD1 4.28Å; V892-F930 HydrophobicContact CG1-CE1 3.65Å; V892-F930 HydrophobicContact CG1-CE2 4.24Å; V892-F930 HydrophobicContact CG1-CZ 3.62Å; L894-F930 HydrophobicContact CB-CE2 4.1Å; L894-F930 HydrophobicContact CB-CZ 3.96Å; M900-F930 HydrophobicContact CE-CE1 4.11Å; M900-F930 HydrophobicContact CE-CZ 4.34Å; M900-F930 HydrophobicContact SD-CE1 3.93Å; M900-F930 HydrophobicContact SD-CZ 4.29Å; F930-F948 HydrophobicContact CD1-CE2 4.13Å; F930-F948 AromaticContact CD1-CZ 3.95Å; F930-F948 HydrophobicContact CD1-CZ 3.95Å; F930-F948 AromaticContact CE1-CE2 3.89Å; F930-F948 HydrophobicContact CE1-CE2 3.89Å; F930-F948 AromaticContact CE1-CZ 3.73Å; F930-F948 HydrophobicContact CE1-CZ 3.73Å; F930-L950 HydrophobicContact CE1-CD1 4.2Å |
| 931 | T | 94.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 23.8 Ų | 23.8 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | trans | -94.5 | 169.9 | 172.8 | 73.3 | 0 | 0 | 0 | 0 | 111.2 | H408 N933 G934 Q935 F937 | H408-T931 VanDerWaalsContact CE1-CG2 3.42Å; H408-T931 WeakPolarHBondContact CE1-CG2 3.45Å; T931-N933 VanDerWaalsContact C-N 3.28Å; T931-N933 PolarHBondContact O-N 3.06Å; T931-N933 PolarHBondContact OG1-N 3.09Å; T931-N933 PolarHBondContact OG1-OD1 3.44Å; T931-G934 PolarHBondContact OG1-N 3.5Å; T931-Q935 HydrophobicContact CG2-CB 3.85Å; T931-Q935 PolarHBondContact N-O 3Å; T931-Q935 PolarHBondContact OG1-N 3.06Å; T931-Q935 PolarHBondContact OG1-O 2.74Å; T931-F937 HydrophobicContact CG2-CE2 3.92Å | ||
| 932 | K | 90.9 | Very high | 93.9 | Very high | 82 Ų | 82 | 26.4 Ų | 26.4 | 36% | 0.357 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -20.8 | 171.3 | -73.9 | -163 | -177.8 | -174 | 0 | 112.9 | S410 D818 E821 L877 | S410-K932 PolarHBondContact OG-N 3.05Å; D818-K932 VanDerWaalsContact CG-NZ 3.29Å; D818-K932 IonicContact OD1-NZ 3.47Å; D818-K932 VanDerWaalsContact OD2-CE 3.24Å; D818-K932 WeakPolarHBondContact OD2-CE 3.39Å; D818-K932 IonicContact OD2-NZ 3.29Å; D818-K932 PolarHBondContact OD2-NZ 3.08Å; E821-K932 IonicContact OE1-NZ 3.93Å; E821-K932 PolarHBondContact OE1-NZ 3.26Å; E821-K932 IonicContact OE2-NZ 2.68Å; E821-K932 PolarHBondContact OE2-NZ 3.03Å; L877-K932 PolarHBondContact N-O 3.4Å; L877-K932 VanDerWaalsContact N-O 3.13Å |
| 933 | N | 89.2 | Confident | 93.9 | Very high | 23 Ų | 23 | 21.7 Ų | 21.7 | 12% | 0.123 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 1.5 | -171.1 | 67.7 | 20.2 | 0 | 0 | 0 | 115.4 | E453 T931 Q935 | E453-N933 PolarHBondContact OE1-ND2 3.26Å; E453-N933 PolarHBondContact OE2-ND2 3.41Å; T931-N933 VanDerWaalsContact C-N 3.28Å; T931-N933 PolarHBondContact O-N 3.06Å; T931-N933 PolarHBondContact OG1-N 3.09Å; T931-N933 PolarHBondContact OG1-OD1 3.44Å; N933-Q935 PolarHBondContact OD1-N 3.47Å |
| 934 | G | 91.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 19.8 Ų | 19.8 | 2% | 0.021 | 12% | 0.118 | C | C | . | . | S | Bend | trans | 94.3 | 19.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | V876 T931 L950 | V876-G934 VanDerWaalsContact CG1-CA 3.41Å; T931-G934 PolarHBondContact OG1-N 3.5Å; G934-L950 WeakPolarHBondContact O-CB 3.38Å; G934-L950 PolarHBondContact O-N 2.68Å |
| 935 | Q | 94.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 175.5 | 164.7 | -64.8 | -169.1 | -20.3 | 0 | 0 | 111.3 | T931 N933 F948 V954 T956 | T931-Q935 HydrophobicContact CG2-CB 3.85Å; T931-Q935 PolarHBondContact N-O 3Å; T931-Q935 PolarHBondContact OG1-N 3.06Å; T931-Q935 PolarHBondContact OG1-O 2.74Å; N933-Q935 PolarHBondContact OD1-N 3.47Å; Q935-F948 CarbonylContact C-O 3.57Å; Q935-F948 VanDerWaalsContact CA-O 3.26Å; Q935-F948 WeakPolarHBondContact CA-O 3.36Å; Q935-F948 WeakPolarHBondContact CB-O 3.43Å; Q935-V954 HydrophobicContact CG-CG1 4.09Å; Q935-V954 PolarHBondContact NE2-O 3.47Å; Q935-T956 PolarHBondContact NE2-OG1 3.18Å |
| 936 | G | 96.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.6 | 176.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V929 R947 F948 | V929-G936 CarbonylContact O-C 3.56Å; V929-G936 WeakPolarHBondContact O-CA 3.32Å; G936-R947 WeakPolarHBondContact O-CA 3.5Å; G936-F948 VanDerWaalsContact CA-CZ 3.41Å; G936-F948 PolarHBondContact N-O 2.66Å; G936-F948 WeakPolarHBondContact O-CD1 3.46Å; G936-F948 PolarHBondContact O-N 3.42Å |
| 937 | F | 97.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 139.9 | -177.6 | -53.5 | -103.4 | 0 | 0 | 0 | 108.9 | H408 A469 C928 V929 T931 Y945 E946 R947 | H408-F937 AromaticContact CD2-CE2 3.48Å; H408-F937 VanDerWaalsContact CD2-CE2 3.48Å; H408-F937 WeakPolarHBondContact CD2-CE2 3.34Å; H408-F937 AromaticContact NE2-CE2 3.71Å; A469-F937 HydrophobicContact CB-CZ 4.08Å; C928-F937 CarbonylContact C-O 3.52Å; C928-F937 VanDerWaalsContact CA-O 3.22Å; C928-F937 WeakPolarHBondContact CA-O 3.49Å; V929-F937 HydrophobicContact CG1-CB 4.01Å; V929-F937 HydrophobicContact CG1-CD2 4.2Å; V929-F937 PolarHBondContact N-O 2.88Å; V929-F937 PolarHBondContact O-N 3.15Å; T931-F937 HydrophobicContact CG2-CE2 3.92Å; F937-Y945 HydrophobicContact CB-CD1 3.74Å; F937-Y945 HydrophobicContact CB-CE1 4.41Å; F937-Y945 HydrophobicContact CB-CG 4.28Å; F937-E946 VanDerWaalsContact CA-O 3.28Å; F937-E946 WeakPolarHBondContact CA-O 3.12Å; F937-R947 HydrophobicContact CD1-CB 4.03Å; F937-R947 HydrophobicContact CD1-CG 4.15Å; F937-R947 HydrophobicContact CE1-CB 4.1Å; F937-R947 HydrophobicContact CE1-CG 3.93Å; F937-R947 HydrophobicContact CZ-CG 4.28Å; F937-R947 VanDerWaalsContact CZ-CZ 3.42Å |
| 938 | Y | 97.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 15 Ų | 15 | 2% | 0.024 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 150.3 | 168.1 | 78.6 | -88.9 | 0 | 0 | 0 | 111.1 | I917 I940 Y945 E946 F948 | I917-Y938 HydrophobicContact CB-CE2 4.44Å; I917-Y938 HydrophobicContact CD1-CD1 3.98Å; I917-Y938 HydrophobicContact CD1-CD2 3.85Å; I917-Y938 HydrophobicContact CD1-CE1 4.48Å; I917-Y938 HydrophobicContact CD1-CE2 4.35Å; I917-Y938 HydrophobicContact CD1-CG 3.62Å; I917-Y938 HydrophobicContact CG1-CD1 3.94Å; I917-Y938 HydrophobicContact CG1-CD2 4Å; I917-Y938 HydrophobicContact CG1-CE1 3.93Å; I917-Y938 HydrophobicContact CG1-CE2 3.99Å; I917-Y938 HydrophobicContact CG1-CG 3.96Å; I917-Y938 HydrophobicContact CG2-CD2 4.18Å; I917-Y938 HydrophobicContact CG2-CE2 3.91Å; Y938-I940 HydrophobicContact CD2-CG2 4.21Å; Y938-I940 HydrophobicContact CE1-CG2 4.48Å; Y938-I940 HydrophobicContact CE2-CG2 3.46Å; Y938-I940 VanDerWaalsContact CE2-CG2 3.46Å; Y938-I940 PolarHBondContact O-N 3.23Å; Y938-Y945 CarbonylContact O-C 3.56Å; Y938-Y945 VanDerWaalsContact O-CA 3.28Å; Y938-Y945 WeakPolarHBondContact O-CA 3.33Å; Y938-E946 HydrophobicContact CE1-CB 4.23Å; Y938-E946 WeakPolarHBondContact CE1-OE2 3.18Å; Y938-E946 PolarHBondContact N-O 3.36Å; Y938-E946 PolarHBondContact O-N 2.78Å; Y938-E946 PolarHBondContact OH-OE2 2.89Å; Y938-E946 VanDerWaalsContact OH-OE2 3.13Å; Y938-F948 AromaticContact CD1-CD1 3.98Å; Y938-F948 HydrophobicContact CD1-CD1 3.98Å; Y938-F948 HydrophobicContact CD1-CE1 4.14Å |
| 939 | L | 95.8 | Very high | 94.4 | Very high | 20 Ų | 20 | 15 Ų | 15 | 11% | 0.105 | 8% | 0.08 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 116.6 | 178.5 | -71.5 | 175.7 | 0 | 0 | 0 | 110.3 | I403 G924 S927 S941 E944 Y945 | I403-L939 HydrophobicContact CB-CD1 4.48Å; I403-L939 HydrophobicContact CD1-CD1 4.18Å; I403-L939 HydrophobicContact CD1-CD2 4.07Å; G924-L939 VanDerWaalsContact CA-O 3.3Å; G924-L939 WeakPolarHBondContact CA-O 3.29Å; S927-L939 WeakPolarHBondContact OG-CB 3.5Å; S927-L939 PolarHBondContact OG-N 2.94Å; L939-S941 WeakPolarHBondContact CB-O 3.2Å; L939-E944 WeakPolarHBondContact CA-O 3.15Å; L939-E944 WeakPolarHBondContact CD2-O 3.46Å; L939-Y945 HydrophobicContact CD2-CD1 3.81Å; L939-Y945 HydrophobicContact CD2-CD2 3.68Å; L939-Y945 HydrophobicContact CD2-CE1 3.75Å; L939-Y945 HydrophobicContact CD2-CE2 3.6Å; L939-Y945 HydrophobicContact CD2-CG 3.77Å; L939-Y945 HydrophobicContact CG-CD1 4.03Å; L939-Y945 HydrophobicContact CG-CE1 3.69Å; L939-Y945 HydrophobicContact CG-CE2 4.34Å; L939-Y945 HydrophobicContact CG-CG 4.48Å |
| 940 | I | 94.1 | Very high | 94.4 | Very high | 43 Ų | 43 | 14.7 Ų | 14.7 | 22% | 0.221 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -84.4 | -23.4 | 170.5 | 51.2 | 166.2 | 0 | 0 | 0 | 111.8 | E30 Y938 E944 E946 | E30-I940 VanDerWaalsContact CD-CD1 3.43Å; E30-I940 HydrophobicContact CG-CD1 3.75Å; E30-I940 WeakPolarHBondContact OE1-CD1 3.49Å; Y938-I940 HydrophobicContact CD2-CG2 4.21Å; Y938-I940 HydrophobicContact CE1-CG2 4.48Å; Y938-I940 HydrophobicContact CE2-CG2 3.46Å; Y938-I940 VanDerWaalsContact CE2-CG2 3.46Å; Y938-I940 PolarHBondContact O-N 3.23Å; I940-E944 HydrophobicContact CD1-CB 4.14Å; I940-E944 HydrophobicContact CG1-CB 3.92Å; I940-E944 WeakPolarHBondContact CG1-O 3.35Å; I940-E944 PolarHBondContact N-O 2.89Å; I940-E946 HydrophobicContact CD1-CB 4.46Å; I940-E946 HydrophobicContact CG1-CB 4.49Å; I940-E946 HydrophobicContact CG2-CB 3.65Å |
| 941 | S | 92.5 | Very high | 94.3 | Very high | 17 Ų | 17 | 13.8 Ų | 13.8 | 12% | 0.119 | 8% | 0.075 | C | C | . | . | S | Bend | trans | -144.3 | 172 | 175.3 | 76.7 | 0 | 0 | 0 | 0 | 108.6 | L939 S943 E944 | L939-S941 WeakPolarHBondContact CB-O 3.2Å; S941-S943 PolarHBondContact O-N 3.01Å; S941-S943 PolarHBondContact OG-N 2.87Å; S941-S943 PolarHBondContact OG-OG 2.87Å; S941-E944 WeakPolarHBondContact OG-CB 3.1Å; S941-E944 PolarHBondContact OG-N 2.95Å |
| 942 | P | 91 | Very high | 94.1 | Very high | 75 Ų | 75 | 14.9 Ų | 14.9 | 49% | 0.487 | 8% | 0.084 | S | C | . | . | S | Bend | trans | -57.6 | -30.2 | 174.1 | -23.5 | 34.8 | 0 | 0 | 0 | 113.2 | H399 | H399-P942 WeakPolarHBondContact CB-O 3.48Š|
| 943 | S | 93 | Very high | 94 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.084 | C | C | . | . | S | Bend | trans | -104.2 | -9 | -167.4 | 55.7 | 0 | 0 | 0 | 0 | 114.7 | G32 F33 H399 S941 | G32-S943 WeakPolarHBondContact CA-O 3.39Å; F33-S943 PolarHBondContact N-O 2.82Å; F33-S943 VanDerWaalsContact N-O 3.08Å; F33-S943 WeakPolarHBondContact O-CB 3.44Å; F33-S943 PolarHBondContact O-OG 3.25Å; H399-S943 WeakPolarHBondContact CE1-CB 3.47Å; H399-S943 WeakPolarHBondContact ND1-CB 3.48Å; S941-S943 PolarHBondContact O-N 3.01Å; S941-S943 PolarHBondContact OG-N 2.87Å; S941-S943 PolarHBondContact OG-OG 2.87Å |
| 944 | E | 93.7 | Very high | 93.9 | Very high | 10 Ų | 10 | 15.6 Ų | 15.6 | 5% | 0.047 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 129.8 | -172.4 | -55.5 | -179.5 | 102.2 | 0 | 0 | 113 | H31 F33 P34 H35 K59 L939 I940 S941 | H31-E944 WeakPolarHBondContact O-CA 3.49Å; F33-E944 WeakPolarHBondContact O-CG 3.35Å; P34-E944 VanDerWaalsContact CA-CD 3.42Å; P34-E944 WeakPolarHBondContact CA-OE1 3.35Å; P34-E944 WeakPolarHBondContact CA-OE2 3.14Å; H35-E944 PolarHBondContact N-OE2 3.06Å; K59-E944 IonicContact NZ-OE1 3.34Å; K59-E944 PolarHBondContact NZ-OE1 3.5Å; K59-E944 IonicContact NZ-OE2 3.86Å; L939-E944 WeakPolarHBondContact CA-O 3.15Å; L939-E944 WeakPolarHBondContact CD2-O 3.46Å; I940-E944 HydrophobicContact CD1-CB 4.14Å; I940-E944 HydrophobicContact CG1-CB 3.92Å; I940-E944 WeakPolarHBondContact CG1-O 3.35Å; I940-E944 PolarHBondContact N-O 2.89Å; S941-E944 WeakPolarHBondContact OG-CB 3.1Å; S941-E944 PolarHBondContact OG-N 2.95Å |
| 945 | Y | 96 | Very high | 93.7 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 0% | 0.004 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 140.8 | 161.1 | -76.7 | -82.4 | 0 | 0 | 0 | 110.4 | E30 H31 L398 I403 S406 L455 T457 F937 Y938 L939 | E30-Y945 CarbonylContact C-O 3.57Å; E30-Y945 WeakPolarHBondContact CA-O 3.36Å; H31-Y945 PolarHBondContact N-O 3.29Å; H31-Y945 PolarHBondContact O-N 2.84Å; L398-Y945 HydrophobicContact CD1-CD2 3.64Å; L398-Y945 HydrophobicContact CD1-CE2 4.14Å; I403-Y945 HydrophobicContact CD1-CE2 4.19Å; S406-Y945 WeakPolarHBondContact CB-OH 3.47Å; L455-Y945 HydrophobicContact CD2-CD2 4.21Å; L455-Y945 HydrophobicContact CD2-CE2 4.17Å; T457-Y945 HydrophobicContact CG2-CE2 4.09Å; F937-Y945 HydrophobicContact CB-CD1 3.74Å; F937-Y945 HydrophobicContact CB-CE1 4.41Å; F937-Y945 HydrophobicContact CB-CG 4.28Å; Y938-Y945 CarbonylContact O-C 3.56Å; Y938-Y945 VanDerWaalsContact O-CA 3.28Å; Y938-Y945 WeakPolarHBondContact O-CA 3.33Å; L939-Y945 HydrophobicContact CD2-CD1 3.81Å; L939-Y945 HydrophobicContact CD2-CD2 3.68Å; L939-Y945 HydrophobicContact CD2-CE1 3.75Å; L939-Y945 HydrophobicContact CD2-CE2 3.6Å; L939-Y945 HydrophobicContact CD2-CG 3.77Å; L939-Y945 HydrophobicContact CG-CD1 4.03Å; L939-Y945 HydrophobicContact CG-CE1 3.69Å; L939-Y945 HydrophobicContact CG-CE2 4.34Å; L939-Y945 HydrophobicContact CG-CG 4.48Å |
| 946 | E | 95.6 | Very high | 93.4 | Very high | 1 Ų | 1 | 19.6 Ų | 19.6 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 133 | 156.7 | -174.2 | -176 | -123.4 | 0 | 0 | 109.6 | K27 E30 F937 Y938 I940 | K27-E946 VanDerWaalsContact CE-OE2 3.28Å; K27-E946 WeakPolarHBondContact CE-OE2 3.46Å; K27-E946 WeakPolarHBondContact CG-OE2 3.42Å; K27-E946 IonicContact NZ-OE1 3.68Å; K27-E946 PolarHBondContact NZ-OE1 2.88Å; K27-E946 IonicContact NZ-OE2 3.15Å; K27-E946 PolarHBondContact NZ-OE2 2.77Å; E30-E946 HydrophobicContact CG-CB 4.36Å; E30-E946 HydrophobicContact CG-CG 4.34Å; F937-E946 VanDerWaalsContact CA-O 3.28Å; F937-E946 WeakPolarHBondContact CA-O 3.12Å; Y938-E946 HydrophobicContact CE1-CB 4.23Å; Y938-E946 WeakPolarHBondContact CE1-OE2 3.18Å; Y938-E946 PolarHBondContact N-O 3.36Å; Y938-E946 PolarHBondContact O-N 2.78Å; Y938-E946 PolarHBondContact OH-OE2 2.89Å; Y938-E946 VanDerWaalsContact OH-OE2 3.13Å; I940-E946 HydrophobicContact CD1-CB 4.46Å; I940-E946 HydrophobicContact CG1-CB 4.49Å; I940-E946 HydrophobicContact CG2-CB 3.65Å |
| 947 | R | 96.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 134.6 | 167.9 | -169.5 | -166.2 | -66.1 | -116.7 | 4.5 | 109.9 | T28 V29 H31 A469 G471 G936 F937 | T28-R947 PolarHBondContact N-O 2.89Å; V29-R947 HydrophobicContact CG1-CB 3.99Å; V29-R947 PolarHBondContact O-N 3.38Å; H31-R947 PolarHBondContact NE2-NE 2.82Å; A469-R947 PolarHBondContact O-NH1 3.41Å; A469-R947 PolarHBondContact O-NH2 2.96Å; G471-R947 PolarHBondContact O-NH2 2.8Å; G936-R947 WeakPolarHBondContact O-CA 3.5Å; F937-R947 HydrophobicContact CD1-CB 4.03Å; F937-R947 HydrophobicContact CD1-CG 4.15Å; F937-R947 HydrophobicContact CE1-CB 4.1Å; F937-R947 HydrophobicContact CE1-CG 3.93Å; F937-R947 HydrophobicContact CZ-CG 4.28Å; F937-R947 VanDerWaalsContact CZ-CZ 3.42Å |
| 948 | F | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 158.3 | 168.2 | 62.7 | -90.9 | 0 | 0 | 0 | 111.2 | F25 N26 M900 F930 Q935 G936 Y938 L950 | F25-F948 HydrophobicContact CE2-CB 3.95Å; F25-F948 HydrophobicContact CE2-CD2 4.34Å; F25-F948 HydrophobicContact CE2-CG 4.33Å; N26-F948 CarbonylContact O-C 3.57Å; N26-F948 VanDerWaalsContact O-CA 3.23Å; N26-F948 WeakPolarHBondContact O-CA 3.44Å; M900-F948 HydrophobicContact CE-CD1 4.38Å; M900-F948 HydrophobicContact CE-CD2 4.28Å; M900-F948 HydrophobicContact CE-CE1 3.72Å; M900-F948 HydrophobicContact CE-CE2 3.62Å; M900-F948 HydrophobicContact CE-CZ 3.29Å; M900-F948 HydrophobicContact SD-CD2 4.22Å; M900-F948 HydrophobicContact SD-CE2 3.63Å; M900-F948 HydrophobicContact SD-CZ 3.95Å; F930-F948 HydrophobicContact CD1-CE2 4.13Å; F930-F948 AromaticContact CD1-CZ 3.95Å; F930-F948 HydrophobicContact CD1-CZ 3.95Å; F930-F948 AromaticContact CE1-CE2 3.89Å; F930-F948 HydrophobicContact CE1-CE2 3.89Å; F930-F948 AromaticContact CE1-CZ 3.73Å; F930-F948 HydrophobicContact CE1-CZ 3.73Å; Q935-F948 CarbonylContact C-O 3.57Å; Q935-F948 VanDerWaalsContact CA-O 3.26Å; Q935-F948 WeakPolarHBondContact CA-O 3.36Å; Q935-F948 WeakPolarHBondContact CB-O 3.43Å; G936-F948 VanDerWaalsContact CA-CZ 3.41Å; G936-F948 PolarHBondContact N-O 2.66Å; G936-F948 WeakPolarHBondContact O-CD1 3.46Å; G936-F948 PolarHBondContact O-N 3.42Å; Y938-F948 AromaticContact CD1-CD1 3.98Å; Y938-F948 HydrophobicContact CD1-CD1 3.98Å; Y938-F948 HydrophobicContact CD1-CE1 4.14Å; F948-L950 HydrophobicContact CD2-CG 4.23Å; F948-L950 HydrophobicContact CE2-CD1 4.14Å; F948-L950 HydrophobicContact CE2-CG 4.21Å |
| 949 | S | 96.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.3 | 164.5 | -167.1 | 0 | 0 | 0 | 0 | 110.7 | F25 N26 S951 V954 | F25-S949 WeakPolarHBondContact CA-O 3.16Å; F25-S949 WeakPolarHBondContact CD2-O 3.45Å; N26-S949 PolarHBondContact N-O 3.43Å; N26-S949 PolarHBondContact O-N 3.14Å; S949-S951 PolarHBondContact OG-N 3.09Å; S949-S951 PolarHBondContact OG-O 2.79Å; S949-V954 WeakPolarHBondContact CB-O 3.34Å; S949-V954 PolarHBondContact OG-O 3.03Å |
| 950 | L | 95.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | -1.4 | 166.8 | -64.2 | 164.7 | 0 | 0 | 0 | 110.9 | F23 A24 F25 F878 V892 M900 L902 Y914 F930 G934 F948 | F23-L950 WeakPolarHBondContact CA-O 3.34Å; A24-L950 PolarHBondContact N-O 2.96Å; A24-L950 VanDerWaalsContact N-O 3.15Å; A24-L950 CarbonylContact O-C 3.55Å; A24-L950 WeakPolarHBondContact O-CA 3.42Å; F25-L950 HydrophobicContact CD2-CD2 3.89Å; F878-L950 HydrophobicContact CE1-CB 3.89Å; F878-L950 WeakPolarHBondContact CE1-O 3.36Å; F878-L950 HydrophobicContact CZ-CB 4.08Å; V892-L950 HydrophobicContact CG1-CD1 3.66Å; V892-L950 HydrophobicContact CG2-CD1 4.3Å; M900-L950 HydrophobicContact CB-CD2 4.48Å; M900-L950 HydrophobicContact SD-CD1 4.04Å; M900-L950 HydrophobicContact SD-CD2 4.03Å; M900-L950 HydrophobicContact SD-CG 4.4Å; L902-L950 HydrophobicContact CD1-CD1 4.42Å; L902-L950 HydrophobicContact CD1-CD2 4.34Å; Y914-L950 HydrophobicContact CD2-CD2 3.61Å; Y914-L950 HydrophobicContact CE2-CD2 4.12Å; F930-L950 HydrophobicContact CE1-CD1 4.2Å; G934-L950 WeakPolarHBondContact O-CB 3.38Å; G934-L950 PolarHBondContact O-N 2.68Å; F948-L950 HydrophobicContact CD2-CG 4.23Å; F948-L950 HydrophobicContact CE2-CD1 4.14Å; F948-L950 HydrophobicContact CE2-CG 4.21Å |
| 951 | S | 93.8 | Very high | 90.8 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 120.4 | -166.3 | 179 | 0 | 0 | 0 | 0 | 111.2 | A24 S949 K953 V954 | A24-S951 PolarHBondContact O-N 2.73Å; S949-S951 PolarHBondContact OG-N 3.09Å; S949-S951 PolarHBondContact OG-O 2.79Å; S951-K953 PolarHBondContact O-N 3.34Å; S951-V954 PolarHBondContact O-N 3.01Å |
| 952 | A | 90.7 | Very high | 90.5 | Very high | 29 Ų | 29 | 22.8 Ų | 22.8 | 24% | 0.24 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -14.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L22 A24 A881 | L22-A952 PolarHBondContact O-N 3.39Å; A24-A952 HydrophobicContact CB-CB 4.02Å; A881-A952 HydrophobicContact CB-CB 4.16Å |
| 953 | K | 88.6 | Confident | 90.2 | Very high | 81 Ų | 81 | 27 Ų | 27 | 35% | 0.352 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -20.8 | -179.3 | -161.5 | 176.7 | -160.2 | 153.7 | 0 | 114 | H879 S880 A881 S951 | H879-K953 HydrophobicContact CB-CD 3.62Å; S880-K953 WeakPolarHBondContact O-CD 3.24Å; S880-K953 WeakPolarHBondContact O-CE 3.26Å; S880-K953 PolarHBondContact O-NZ 3.17Å; A881-K953 HydrophobicContact CB-CB 4.47Å; S951-K953 PolarHBondContact O-N 3.34Å |
| 954 | V | 86.3 | Confident | 89.8 | Confident | 38 Ų | 38 | 28.1 Ų | 28.1 | 23% | 0.23 | 15% | 0.151 | C | C | . | . | trans | -119.6 | 92.3 | -168 | -171 | 0 | 0 | 0 | 0 | 110.5 | Q935 S949 S951 | Q935-V954 HydrophobicContact CG-CG1 4.09Å; Q935-V954 PolarHBondContact NE2-O 3.47Å; S949-V954 WeakPolarHBondContact CB-O 3.34Å; S949-V954 PolarHBondContact OG-O 3.03Å; S951-V954 PolarHBondContact O-N 3.01Å | ||
| 955 | L | 87.3 | Confident | 89.2 | Confident | 64 Ų | 64 | 32.9 Ų | 32.9 | 34% | 0.335 | 18% | 0.177 | S | C | . | . | trans | -121.7 | 128.3 | -178.9 | -167.9 | 74.5 | 0 | 0 | 0 | 110.3 | N26 T28 E957 | N26-L955 HydrophobicContact CB-CD1 3.84Å; T28-L955 HydrophobicContact CG2-CD1 3.61Å; L955-E957 HydrophobicContact CD2-CG 4.21Å; L955-E957 WeakPolarHBondContact CD2-OE1 3.35Å; L955-E957 HydrophobicContact CG-CG 4.49Å | ||
| 956 | T | 87.9 | Confident | 88.2 | Confident | 23 Ų | 23 | 34.7 Ų | 34.7 | 14% | 0.141 | 18% | 0.184 | C | C | . | . | trans | -118.1 | 95.5 | 177.5 | -50.5 | 0 | 0 | 0 | 0 | 107.9 | T28 V29 V472 Q935 | T28-T956 WeakPolarHBondContact CB-O 3.44Å; T28-T956 PolarHBondContact OG1-O 2.85Å; V29-T956 WeakPolarHBondContact CG1-O 3.46Å; V472-T956 HydrophobicContact CG2-CG2 4.46Å; Q935-T956 PolarHBondContact NE2-OG1 3.18Å | ||
| 957 | E | 83.8 | Confident | 86.6 | Confident | 32 Ų | 32 | 39.9 Ų | 39.9 | 15% | 0.15 | 22% | 0.218 | C | C | . | . | trans | -126.2 | 151.9 | -179.2 | 64.5 | 178.9 | 159.5 | 0 | 0 | 110.5 | R110 L955 L959 | R110-E957 IonicContact CZ-OE2 3.74Å; R110-E957 IonicContact NH1-OE1 3.86Å; R110-E957 PolarHBondContact NH1-OE1 3.41Å; R110-E957 IonicContact NH1-OE2 2.71Å; R110-E957 PolarHBondContact NH1-OE2 3.33Å; R110-E957 IonicContact NH2-OE2 2.73Å; L955-E957 HydrophobicContact CD2-CG 4.21Å; L955-E957 WeakPolarHBondContact CD2-OE1 3.35Å; L955-E957 HydrophobicContact CG-CG 4.49Å; E957-L959 HydrophobicContact CG-CD2 4.16Å; E957-L959 HydrophobicContact CG-CG 4.16Å; E957-L959 PolarHBondContact O-N 2.99Å | ||
| 958 | P | 84.5 | Confident | 84.9 | Confident | 40 Ų | 40 | 42.6 Ų | 42.6 | 26% | 0.26 | 23% | 0.232 | S | C | . | . | trans | -63.4 | 115.9 | 172.2 | 25.4 | -33.3 | 0 | 0 | 0 | 110.7 | E67 V472 | E67-P958 HydrophobicContact CG-CB 3.66Å; E67-P958 HydrophobicContact CG-CG 4.11Å; V472-P958 HydrophobicContact CG1-CB 4.1Å | ||
| 959 | L | 85.8 | Confident | 83 | Confident | 29 Ų | 29 | 49.3 Ų | 49.3 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | trans | -116.3 | 108.5 | 170.2 | -64.7 | 176.3 | 0 | 0 | 0 | 107.1 | N444 L445 A446 E957 | N444-L959 PolarHBondContact OD1-O 3.05Å; L445-L959 WeakPolarHBondContact CA-O 3.39Å; L445-L959 PolarHBondContact N-O 3.1Å; A446-L959 HydrophobicContact CB-CB 4.29Å; A446-L959 PolarHBondContact N-O 2.69Å; E957-L959 HydrophobicContact CG-CD2 4.16Å; E957-L959 HydrophobicContact CG-CG 4.16Å; E957-L959 PolarHBondContact O-N 2.99Å | ||
| 960 | C | 86.4 | Confident | 80.9 | Confident | 3 Ų | 3 | 54.5 Ų | 54.5 | 2% | 0.02 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.2 | 162.3 | -175.8 | 58.1 | 0 | 0 | 0 | 0 | 112.2 | V66 F68 V121 K443 | V66-C960 HydrophobicContact CB-CB 4.19Å; V66-C960 HydrophobicContact CG1-CB 4.09Å; V66-C960 HydrophobicContact CG2-CB 3.93Å; F68-C960 WeakPolarHBondContact CE1-SG 3.46Å; F68-C960 WeakPolarHBondContact CZ-SG 3.4Å; V121-C960 PolarHBondContact N-O 3.02Å; K443-C960 CarbonylContact O-C 3.53Å; K443-C960 WeakPolarHBondContact O-CA 3.47Å; K443-C960 VanDerWaalsContact O-CB 3.24Å; K443-C960 WeakPolarHBondContact O-CB 3.47Å |
| 961 | S | 86.1 | Confident | 78.6 | Confident | 40 Ų | 40 | 57.3 Ų | 57.3 | 28% | 0.28 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 152.3 | 172 | 58.6 | 0 | 0 | 0 | 0 | 111.3 | G442 K443 | G442-S961 CarbonylContact C-O 3.59Å; G442-S961 WeakPolarHBondContact CA-O 3.46Å; K443-S961 PolarHBondContact N-O 2.89Å; K443-S961 PolarHBondContact O-N 3.48Å |
| 962 | V | 86.4 | Confident | 75.8 | Confident | 10 Ų | 10 | 61.7 Ų | 61.7 | 6% | 0.061 | 35% | 0.351 | C | S | . | . | trans | -128.8 | 132.9 | 174.1 | -172.1 | 0 | 0 | 0 | 0 | 107 | L46 L48 V66 F68 L104 L964 | L46-V962 HydrophobicContact CD1-CG1 4.39Å; L46-V962 HydrophobicContact CD2-CG1 4.15Å; L48-V962 HydrophobicContact CD1-CG1 4.18Å; L48-V962 HydrophobicContact CD1-CG2 4.38Å; V66-V962 HydrophobicContact CG1-CG2 4.46Å; F68-V962 HydrophobicContact CE2-CG2 3.91Å; F68-V962 HydrophobicContact CZ-CG2 3.77Å; L104-V962 HydrophobicContact CD1-CG2 4.4Å; V962-L964 HydrophobicContact CB-CD2 4.27Å; V962-L964 HydrophobicContact CG1-CD2 3.71Å | ||
| 963 | Q | 83.5 | Confident | 72.9 | Confident | 164 Ų | 164 | 66.9 Ų | 66.9 | 77% | 0.766 | 38% | 0.38 | S | S | * | . | trans | -85.9 | 126.8 | 172.3 | -177.7 | 172.1 | -16.1 | 0 | 0 | 108.1 | L46 | L46-Q963 VanDerWaalsContact CD2-O 3.23Å; L46-Q963 WeakPolarHBondContact CD2-O 3.26Å | ||
| 964 | L | 85.3 | Confident | 70.1 | Confident | 23 Ų | 23 | 68.2 Ų | 68.2 | 12% | 0.12 | 40% | 0.399 | C | S | . | . | trans | -115.9 | 156.8 | -175.6 | -55.8 | -176.8 | 0 | 0 | 0 | 110.7 | L46 V962 R966 L968 | L46-L964 HydrophobicContact CD1-CD2 3.66Å; L46-L964 HydrophobicContact CD2-CD2 3.93Å; L46-L964 HydrophobicContact CG-CD2 4.49Å; V962-L964 HydrophobicContact CB-CD2 4.27Å; V962-L964 HydrophobicContact CG1-CD2 3.71Å; L964-R966 HydrophobicContact CB-CG 4.4Å; L964-R966 PolarHBondContact O-N 3.36Å; L964-L968 HydrophobicContact CD1-CD2 3.62Å; L964-L968 HydrophobicContact CD1-CG 3.99Å | ||
| 965 | D | 80 | Confident | 67.4 | Low | 110 Ų | 110 | 74 Ų | 74 | 59% | 0.588 | 43% | 0.429 | S | S | * | . | S | Bend | trans | -68.2 | -16.3 | 173.8 | -70.5 | -9.4 | 0 | 0 | 0 | 112.4 | K45 G86 | K45-D965 IonicContact NZ-OD2 3.78Å; K45-D965 PolarHBondContact NZ-OD2 3.14Å; G86-D965 PolarHBondContact O-N 2.89Å |
| 966 | R | 76.2 | Confident | 64.7 | Low | 38 Ų | 38 | 74.8 Ų | 74.8 | 14% | 0.143 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -112 | 151.8 | 175 | 67.1 | 171.8 | -179.5 | 139.4 | 2.1 | 111.5 | Q87 E103 L964 | Q87-R966 PolarHBondContact O-NE 3.27Å; E103-R966 VanDerWaalsContact CD-NH2 3.29Å; E103-R966 IonicContact OE1-NH1 3.04Å; E103-R966 IonicContact OE1-NH2 3.27Å; E103-R966 IonicContact OE2-CZ 3.63Å; E103-R966 IonicContact OE2-NH1 3.34Å; E103-R966 PolarHBondContact OE2-NH1 3.23Å; E103-R966 IonicContact OE2-NH2 3.18Å; E103-R966 PolarHBondContact OE2-NH2 3.01Å; L964-R966 HydrophobicContact CB-CG 4.4Å; L964-R966 PolarHBondContact O-N 3.36Å |
| 967 | P | 61.3 | Low | 61.7 | Low | 111 Ų | 111 | 79 Ų | 79 | 72% | 0.721 | 48% | 0.478 | S | S | * | . | trans | -60 | 140.4 | 166.7 | 27.3 | -34.6 | 0 | 0 | 0 | 110.6 | E969 | P967-E969 PolarHBondContact O-N 2.95Š| ||
| 968 | L | 62 | Low | 58.9 | Low | 57 Ų | 57 | 83.9 Ų | 83.9 | 30% | 0.298 | 51% | 0.51 | S | S | . | . | trans | -75.8 | 111.5 | 171.7 | -78.7 | 153.5 | 0 | 0 | 0 | 109 | L104 V106 L964 | L104-L968 WeakPolarHBondContact O-CD2 3.34Å; V106-L968 HydrophobicContact CG2-CB 3.86Å; V106-L968 HydrophobicContact CG2-CD1 3.81Å; V106-L968 HydrophobicContact CG2-CD2 4.25Å; V106-L968 HydrophobicContact CG2-CG 4.18Å; L964-L968 HydrophobicContact CD1-CD2 3.62Å; L964-L968 HydrophobicContact CD1-CG 3.99Å | ||
| 969 | E | 56 | Low | 56 | Low | 140 Ų | 140 | 89.2 Ų | 89.2 | 65% | 0.654 | 53% | 0.534 | S | S | * | . | trans | -69.4 | 127.9 | 174.1 | -66.9 | -174.7 | 179 | 0 | 0 | 110.1 | P967 | P967-E969 PolarHBondContact O-N 2.95Š| ||
| 970 | P | 50.3 | Low | 53.1 | Low | 109 Ų | 109 | 95 Ų | 95 | 71% | 0.708 | 56% | 0.56 | S | S | * | * | B | Isolated β-bridge | trans | -69.6 | 140.7 | 174.8 | 29.6 | -33.8 | 0 | 0 | 0 | 109.8 | A972 | P970-A972 PolarHBondContact O-N 3.39Å |
| 971 | T | 47.4 | Very low | 50.2 | Low | 61 Ų | 61 | 98.9 Ų | 98.9 | 37% | 0.374 | 59% | 0.585 | S | S | . | * | trans | -58.9 | 112 | -179.6 | 53.6 | 0 | 0 | 0 | 0 | 111.4 | V105 T973 | V105-T971 HydrophobicContact CG2-CG2 4.28Å; T971-T973 PolarHBondContact O-N 2.69Å | ||
| 972 | A | 35.3 | Very low | 47.4 | Very low | 93 Ų | 93 | 105 Ų | 105 | 77% | 0.769 | 61% | 0.609 | S | S | * | * | trans | -56.9 | 135.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | P970 S974 | P970-A972 PolarHBondContact O-N 3.39Å; A972-S974 PolarHBondContact O-N 3.17Å | ||
| 973 | T | 31.2 | Very low | 44.6 | Very low | 139 Ų | 139 | 106.1 Ų | 106.1 | 85% | 0.853 | 62% | 0.619 | S | S | * | * | trans | -76.7 | 87.1 | -177.3 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | T971 | T971-T973 PolarHBondContact O-N 2.69Š| ||
| 974 | S | 30.1 | Very low | 42.3 | Very low | 109 Ų | 109 | 100.1 Ų | 100.1 | 76% | 0.762 | 59% | 0.592 | S | S | * | * | trans | -70.9 | 130.4 | 162.9 | 56.4 | 0 | 0 | 0 | 0 | 110 | A972 | A972-S974 PolarHBondContact O-N 3.17Š| ||
| 975 | D | 28 | Very low | 39.6 | Very low | 159 Ų | 159 | 100.8 Ų | 100.8 | 85% | 0.85 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -61.4 | 148.7 | -173.2 | -76.8 | -58.1 | 0 | 0 | 0 | 115 | T977 | D975-T977 PolarHBondContact O-N 2.87Š|
| 976 | G | 31.2 | Very low | 37.1 | Very low | 80 Ų | 80 | 98.7 Ų | 98.7 | 83% | 0.825 | 60% | 0.596 | S | S | * | * | S | Bend | trans | 87.7 | 3.3 | 138.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||
| 977 | T | 24.8 | Very low | 34.8 | Very low | 111 Ų | 111 | 102.1 Ų | 102.1 | 68% | 0.681 | 61% | 0.614 | S | S | * | * | trans | -134.2 | 119 | 168 | 35 | 0 | 0 | 0 | 0 | 113.9 | D975 M979 | D975-T977 PolarHBondContact O-N 2.87Å; T977-M979 VanDerWaalsContact C-N 3.27Å; T977-M979 PolarHBondContact O-N 2.87Å | ||
| 978 | T | 24 | Very low | 33.1 | Very low | 136 Ų | 136 | 106.9 Ų | 106.9 | 83% | 0.834 | 62% | 0.617 | S | S | * | * | trans | -78.3 | 70.5 | 176.8 | 38.8 | 0 | 0 | 0 | 0 | 112.1 | H980 | T978-H980 PolarHBondContact O-N 3.03Å; T978-H980 VanDerWaalsContact O-N 3.07Å | ||
| 979 | M | 23.9 | Very low | 31.3 | Very low | 151 Ų | 151 | 111 Ų | 111 | 74% | 0.744 | 64% | 0.639 | S | S | * | * | trans | -68.4 | 102.4 | 166.8 | -70.9 | -62.4 | 179.4 | 0 | 0 | 109.8 | T977 | T977-M979 VanDerWaalsContact C-N 3.27Å; T977-M979 PolarHBondContact O-N 2.87Å | ||
| 980 | H | 24.7 | Very low | 29.8 | Very low | 151 Ų | 151 | 112.2 Ų | 112.2 | 70% | 0.699 | 65% | 0.645 | S | S | * | * | trans | -61.6 | 149 | 166.7 | -82.4 | -91.1 | 0 | 0 | 0 | 110.5 | T978 Q982 | T978-H980 PolarHBondContact O-N 3.03Å; T978-H980 VanDerWaalsContact O-N 3.07Å; H980-Q982 PolarHBondContact O-N 3.5Å | ||
| 981 | P | 26.6 | Very low | 28.4 | Very low | 85 Ų | 85 | 113.5 Ų | 113.5 | 55% | 0.552 | 65% | 0.651 | S | S | * | * | trans | -60.5 | 111.6 | 170.5 | 27.1 | -34.7 | 0 | 0 | 0 | 109.4 | A983 | P981-A983 PolarHBondContact O-N 3.49Š| ||
| 982 | Q | 27.3 | Very low | 27.4 | Very low | 169 Ų | 169 | 114.3 Ų | 114.3 | 79% | 0.79 | 67% | 0.672 | S | S | * | * | trans | -87 | 106.4 | -179.6 | -69.3 | -175.2 | -1.4 | 0 | 0 | 110.2 | H980 N984 | H980-Q982 PolarHBondContact O-N 3.5Å; Q982-N984 PolarHBondContact O-N 3.15Å | ||
| 983 | A | 27.4 | Very low | 26.9 | Very low | 32 Ų | 32 | 119.5 Ų | 119.5 | 26% | 0.264 | 68% | 0.68 | S | S | . | * | trans | -75.7 | 98.3 | 154.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | K27 P981 | K27-A983 HydrophobicContact CB-CB 3.95Å; K27-A983 WeakPolarHBondContact O-CB 3.24Å; P981-A983 PolarHBondContact O-N 3.49Å | ||
| 984 | N | 34.3 | Very low | 26.6 | Very low | 38 Ų | 38 | 117.7 Ų | 117.7 | 20% | 0.203 | 68% | 0.68 | C | S | . | * | S | Bend | trans | 50.9 | 152.3 | 145.1 | -53.8 | 3.8 | 0 | 0 | 0 | 122.8 | K27 E30 T69 Q982 | K27-N984 PolarHBondContact NZ-O 3.24Å; E30-N984 WeakPolarHBondContact OE1-CB 3.32Å; E30-N984 PolarHBondContact OE1-ND2 3.41Å; E30-N984 PolarHBondContact OE2-ND2 3.42Å; T69-N984 WeakPolarHBondContact CG2-OD1 3.5Å; Q982-N984 PolarHBondContact O-N 3.15Å |
| 985 | G | 28.8 | Very low | 26.4 | Very low | 38 Ų | 38 | 122.2 Ų | 122.2 | 39% | 0.392 | 69% | 0.688 | S | S | . | * | trans | 111.2 | -20.5 | 142.5 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 986 | T | 28.6 | Very low | 26.1 | Very low | 65 Ų | 65 | 118.2 Ų | 118.2 | 40% | 0.399 | 69% | 0.685 | S | S | . | * | trans | -146.2 | 121.3 | -174.8 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | R918 | R918-T986 HydrophobicContact CG-CG2 3.91Š| ||
| 987 | H | 27.4 | Very low | 25.9 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 51% | 0.514 | 69% | 0.691 | S | S | . | * | trans | -61.1 | 136.8 | 165 | -78.3 | -108.3 | 0 | 0 | 0 | 111 | T75 | T75-H987 WeakPolarHBondContact CG2-NE2 3.36Š| ||
| 988 | R | 26.3 | Very low | 25.8 | Very low | 210 Ų | 210 | 127.3 Ų | 127.3 | 79% | 0.792 | 70% | 0.696 | S | S | * | * | trans | -121.7 | 89.2 | 173.9 | -174.1 | -178.2 | -179.9 | -171.2 | -0.3 | 109.6 | Q990 | R988-Q990 PolarHBondContact O-N 2.96Å; R988-Q990 VanDerWaalsContact O-N 3.11Å | ||
| 989 | N | 22.9 | Very low | 25.9 | Very low | 143 Ų | 143 | 130 Ų | 130 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | trans | -62.5 | 112.8 | 171.2 | -68.7 | 8.9 | 0 | 0 | 0 | 108.7 | T991 | N989-T991 PolarHBondContact O-N 3.4Š| ||
| 990 | Q | 25.1 | Very low | 25.9 | Very low | 167 Ų | 167 | 127.3 Ų | 127.3 | 78% | 0.78 | 70% | 0.701 | S | S | * | * | trans | -88 | 93 | 180 | -65 | -168.9 | 43.7 | 0 | 0 | 110.3 | R988 G992 | R988-Q990 PolarHBondContact O-N 2.96Å; R988-Q990 VanDerWaalsContact O-N 3.11Å; Q990-G992 PolarHBondContact O-N 2.96Å | ||
| 991 | T | 22.2 | Very low | 26 | Very low | 135 Ų | 135 | 125.9 Ų | 125.9 | 83% | 0.828 | 71% | 0.708 | S | S | * | * | trans | -76.3 | 95.5 | 164.6 | 41.3 | 0 | 0 | 0 | 0 | 109.6 | N989 Q993 | N989-T991 PolarHBondContact O-N 3.4Å; T991-Q993 PolarHBondContact O-N 2.81Å | ||
| 992 | G | 25.1 | Very low | 26.4 | Very low | 79 Ų | 79 | 127.4 Ų | 127.4 | 81% | 0.814 | 72% | 0.718 | S | S | * | * | trans | -72.3 | 114.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q990 | Q990-G992 PolarHBondContact O-N 2.96Š| ||
| 993 | Q | 24.9 | Very low | 26.2 | Very low | 201 Ų | 201 | 124.7 Ų | 124.7 | 94% | 0.939 | 72% | 0.717 | S | S | * | * | trans | -87.1 | 124.3 | 159 | -75.6 | -175.5 | -31.7 | 0 | 0 | 109 | T991 | T991-Q993 PolarHBondContact O-N 2.81Š| ||
| 994 | A | 24.5 | Very low | 26 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -107 | 113.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 995 | E | 25.8 | Very low | 25.6 | Very low | 203 Ų | 203 | 134.4 Ų | 134.4 | 95% | 0.949 | 77% | 0.767 | S | S | * | * | trans | -92.7 | 126.1 | 157.8 | -70.5 | -164.3 | 141.6 | 0 | 0 | 108.5 | ||||
| 996 | G | 23.2 | Very low | 25.4 | Very low | 75 Ų | 75 | 137.9 Ų | 137.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -92.2 | 169.3 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 997 | R | 25.5 | Very low | 25.3 | Very low | 254 Ų | 254 | 139.3 Ų | 139.3 | 96% | 0.958 | 80% | 0.798 | S | S | * | * | trans | -144.5 | 145.6 | 155.3 | -104.3 | 168.1 | -165.2 | -151.9 | -0.4 | 110.8 | ||||
| 998 | T | 24 | Very low | 25.5 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 79% | 0.785 | 81% | 0.81 | S | S | * | * | trans | -79.5 | 144.9 | -176.7 | 45.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 999 | E | 25.3 | Very low | 25.6 | Very low | 193 Ų | 193 | 136.1 Ų | 136.1 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | -164.9 | 170.9 | 109.5 | -104.3 | 171 | -162.7 | 0 | 0 | 110.5 | |||||
| 1000 | A | 23.9 | Very low | 25.8 | Very low | 95 Ų | 95 | 136 Ų | 136 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | -144.6 | 150.5 | -162.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1001 | S | 26.3 | Very low | 25.7 | Very low | 121 Ų | 121 | 135.4 Ų | 135.4 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | trans | -168.4 | 159.2 | 146.4 | 21.3 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1002 | P | 36.9 | Very low | 25.8 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -124.6 | -169 | -158.2 | 43 | -28.8 | 0 | 0 | 0 | 115.2 | ||||
| 1003 | C | 22.7 | Very low | 26.4 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | trans | 121.1 | 143.3 | 159.9 | -67.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1004 | T | 23.4 | Very low | 26.5 | Very low | 111 Ų | 111 | 134.3 Ų | 134.3 | 68% | 0.681 | 79% | 0.789 | S | S | * | * | cis | -170.5 | 142.8 | -16.6 | 23.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1005 | L | 25.8 | Very low | 26.4 | Very low | 162 Ų | 162 | 135.7 Ų | 135.7 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | trans | 51.9 | 151.8 | 139.7 | -64.4 | 168.9 | 0 | 0 | 0 | 120.3 | ||||
| 1006 | S | 23.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | cis | -165.8 | 165.4 | 4 | 35.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1007 | S | 25.6 | Very low | 26.6 | Very low | 95 Ų | 95 | 134 Ų | 134 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | trans | -140.3 | 158.2 | 169.6 | 57.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 1008 | P | 32.9 | Very low | 26.6 | Very low | 119 Ų | 119 | 130.2 Ų | 130.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -114.6 | 141.3 | 155.1 | 36.4 | -26.1 | 0 | 0 | 0 | 110.2 | ||||
| 1009 | I | 27.3 | Very low | 26.7 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 70% | 0.697 | 77% | 0.771 | S | S | * | * | cis | 69 | 135.9 | 27.8 | -38.8 | 171.6 | 0 | 0 | 0 | 112 | ||||
| 1010 | L | 27.6 | Very low | 26.6 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | cis | -96.2 | -163.9 | 1.1 | -63.7 | 69.8 | 0 | 0 | 0 | 110 | ||||
| 1011 | E | 23.7 | Very low | 26.6 | Very low | 154 Ų | 154 | 125.5 Ų | 125.5 | 72% | 0.72 | 77% | 0.768 | S | S | * | * | cis | -156.6 | 147.5 | -1.3 | -134.1 | 154 | 138.7 | 0 | 0 | 104.4 | ||||
| 1012 | T | 24.4 | Very low | 26.6 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | cis | 61.5 | 140.7 | 42.9 | 56.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1013 | P | 36.9 | Very low | 25.9 | Very low | 119 Ų | 119 | 129.6 Ų | 129.6 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | cis | -125.5 | -168.7 | 12.4 | 39.5 | -19.3 | 0 | 0 | 0 | 113.2 | ||||
| 1014 | L | 26.4 | Very low | 26.3 | Very low | 154 Ų | 154 | 130.4 Ų | 130.4 | 81% | 0.806 | 78% | 0.775 | S | S | * | * | cis | -159.7 | -166.3 | -7.4 | -127.1 | 176.6 | 0 | 0 | 0 | 111.1 | ||||
| 1015 | D | 23.4 | Very low | 26.3 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | trans | 64.6 | 79.2 | 154.8 | -69.3 | 3.6 | 0 | 0 | 0 | 123 | ||||
| 1016 | S | 26.4 | Very low | 26.5 | Very low | 120 Ų | 120 | 132.4 Ų | 132.4 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | 171.6 | 154.4 | 110.3 | -76.5 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1017 | P | 26.6 | Very low | 26.5 | Very low | 123 Ų | 123 | 133.6 Ų | 133.6 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -101 | 142.4 | -156.4 | 37 | -35.3 | 0 | 0 | 0 | 117.9 | ||||
| 1018 | L | 24.6 | Very low | 27 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 91% | 0.906 | 80% | 0.797 | S | S | * | * | trans | -146.8 | 153.3 | 162.1 | -78.2 | 175.8 | 0 | 0 | 0 | 105.7 | ||||
| 1019 | S | 26.9 | Very low | 26.7 | Very low | 98 Ų | 98 | 133.8 Ų | 133.8 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | cis | -159.5 | -174.4 | -9.8 | -171.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1020 | C | 24.2 | Very low | 26.8 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | 64.8 | 124.7 | 162.2 | -58.2 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1021 | A | 23.6 | Very low | 26.9 | Very low | 101 Ų | 101 | 136.8 Ų | 136.8 | 84% | 0.835 | 80% | 0.803 | S | S | * | * | trans | -135 | 127.5 | 145 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1022 | D | 25.6 | Very low | 27.5 | Very low | 158 Ų | 158 | 133.2 Ų | 133.2 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | -68.7 | 144.9 | 178.2 | -64.9 | -69.9 | 0 | 0 | 0 | 111.8 | ||||
| 1023 | L | 22.8 | Very low | 28 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -142.1 | 105.4 | 155.6 | -103.3 | 171.9 | 0 | 0 | 0 | 109.5 | ||||
| 1024 | T | 30.1 | Very low | 28 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -75.8 | 141.1 | 167 | 44.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1025 | L | 24.3 | Very low | 28.5 | Very low | 160 Ų | 160 | 135.3 Ų | 135.3 | 84% | 0.838 | 79% | 0.793 | S | S | * | * | trans | -160.7 | 130.7 | 163.1 | -114.9 | 163.3 | 0 | 0 | 0 | 111.1 | ||||
| 1026 | D | 28.6 | Very low | 29.2 | Very low | 155 Ų | 155 | 134.1 Ų | 134.1 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -72.9 | 132.1 | 167.9 | -69.6 | -69.9 | 0 | 0 | 0 | 110.8 | ||||
| 1027 | T | 25 | Very low | 29.7 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -147.5 | 118.1 | 150 | 42.3 | 0 | 0 | 0 | 0 | 111.6 | G1029 | T1027-G1029 PolarHBondContact O-N 2.79Š| ||
| 1028 | T | 36.5 | Very low | 30.1 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 93% | 0.933 | 78% | 0.784 | S | S | * | * | trans | -69.6 | 116.8 | 154 | 47.9 | 0 | 0 | 0 | 0 | 109 | ||||
| 1029 | G | 26.8 | Very low | 30.5 | Very low | 66 Ų | 66 | 140.1 Ų | 140.1 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | trans | -121.4 | 135.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | T1027 | T1027-G1029 PolarHBondContact O-N 2.79Š| ||
| 1030 | E | 28.9 | Very low | 30.8 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | trans | -79.1 | 121.7 | 173.1 | -63 | -173.8 | 127.7 | 0 | 0 | 109.9 | T1032 | E1030-T1032 PolarHBondContact O-N 2.67Š| ||
| 1031 | I | 29.1 | Very low | 31.3 | Very low | 150 Ų | 150 | 141.6 Ų | 141.6 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -74.2 | 112.7 | 172.2 | -61.4 | 175.8 | 0 | 0 | 0 | 108.2 | ||||
| 1032 | T | 36.4 | Very low | 32 | Very low | 80 Ų | 80 | 142.5 Ų | 142.5 | 49% | 0.491 | 77% | 0.773 | S | S | . | * | trans | -86.5 | 164.2 | 175.8 | 66.7 | 0 | 0 | 0 | 0 | 111.4 | E1030 E1034 | E1030-T1032 PolarHBondContact O-N 2.67Å; T1032-E1034 PolarHBondContact O-N 2.78Å; T1032-E1034 VanDerWaalsContact O-N 3.09Å | ||
| 1033 | V | 35.5 | Very low | 32.7 | Very low | 141 Ų | 141 | 139.7 Ų | 139.7 | 86% | 0.855 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 1 | -166.8 | -179.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1034 | E | 36.6 | Very low | 33.5 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 78% | 0.78 | 75% | 0.751 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | -22 | -173.7 | -56.2 | -161.4 | 127.2 | 0 | 0 | 113.9 | T1032 V1036 | T1032-E1034 PolarHBondContact O-N 2.78Å; T1032-E1034 VanDerWaalsContact O-N 3.09Å; E1034-V1036 VanDerWaalsContact C-N 3.26Å; E1034-V1036 PolarHBondContact O-N 3.29Å |
| 1035 | D | 36.2 | Very low | 33.9 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 68% | 0.679 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.8 | -0.9 | -176.9 | -61.6 | -43.9 | 0 | 0 | 0 | 114.9 | ||
| 1036 | V | 38.7 | Very low | 34.6 | Very low | 107 Ų | 107 | 133.6 Ų | 133.6 | 65% | 0.648 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | 14.8 | -173.9 | -168.4 | 0 | 0 | 0 | 0 | 112.2 | E1034 | E1034-V1036 VanDerWaalsContact C-N 3.26Å; E1034-V1036 PolarHBondContact O-N 3.29Å |
| 1037 | R | 36.5 | Very low | 35.2 | Very low | 204 Ų | 204 | 131.8 Ų | 131.8 | 77% | 0.77 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -94.5 | -22.5 | -165.9 | -145.8 | 170.9 | -168.9 | 165.2 | 4 | 116.5 | ||
| 1038 | D | 34.3 | Very low | 36 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 75% | 0.749 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | 5.5 | -167.1 | -67.7 | -8.3 | 0 | 0 | 0 | 114.8 | ||
| 1039 | F | 33.5 | Very low | 36.2 | Very low | 199 Ų | 199 | 127.8 Ų | 127.8 | 87% | 0.873 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | 17.1 | -179.8 | -95.3 | -80.9 | 0 | 0 | 0 | 115.1 | ||
| 1040 | L | 33.1 | Very low | 36.9 | Very low | 144 Ų | 144 | 130.9 Ų | 130.9 | 75% | 0.754 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -126.2 | 11.1 | -176.5 | -76.2 | 172.8 | 0 | 0 | 0 | 115.1 | ||
| 1041 | T | 35.3 | Very low | 37.6 | Very low | 102 Ų | 102 | 129.4 Ų | 129.4 | 63% | 0.626 | 67% | 0.67 | S | S | * | * | trans | -91.5 | -3.2 | -169.6 | 42.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1042 | T | 38.3 | Very low | 38.2 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 74% | 0.742 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -95.3 | 3.1 | -172.2 | 48.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 1043 | V | 40.6 | Very low | 38.3 | Very low | 98 Ų | 98 | 132.3 Ų | 132.3 | 59% | 0.594 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -98.7 | -36.3 | -176.3 | -173.4 | 0 | 0 | 0 | 0 | 112.9 | E1045 A1046 | V1043-E1045 VanDerWaalsContact C-N 3.3Å; V1043-E1045 PolarHBondContact O-N 3.02Å; V1043-A1046 PolarHBondContact O-N 3.28Å |
| 1044 | D | 39.4 | Very low | 38.7 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 65% | 0.647 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -70.6 | -19.6 | -174.3 | -80.8 | -11.8 | 0 | 0 | 0 | 114.1 | A1046 N1048 | D1044-A1046 VanDerWaalsContact C-N 3.34Å; D1044-N1048 PolarHBondContact O-ND2 2.88Å |
| 1045 | E | 38 | Very low | 38.9 | Very low | 147 Ų | 147 | 134.8 Ų | 134.8 | 69% | 0.687 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -74.6 | -23.6 | 176 | -64.4 | -163.2 | 136.1 | 0 | 0 | 112.8 | V1043 N1049 | V1043-E1045 VanDerWaalsContact C-N 3.3Å; V1043-E1045 PolarHBondContact O-N 3.02Å; E1045-N1049 PolarHBondContact O-ND2 2.84Å |
| 1046 | A | 38.7 | Very low | 39 | Very low | 59 Ų | 59 | 137.5 Ų | 137.5 | 49% | 0.488 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -72 | -44.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1043 D1044 N1048 | V1043-A1046 PolarHBondContact O-N 3.28Å; D1044-A1046 VanDerWaalsContact C-N 3.34Å; A1046-N1048 PolarHBondContact O-N 3.08Å |
| 1047 | E | 42.6 | Very low | 39.1 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 55% | 0.551 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -67.9 | -34.1 | -178.9 | -72.3 | -150.1 | 158.5 | 0 | 0 | 113.4 | L1050 R1051 | E1047-L1050 PolarHBondContact O-N 2.88Å; E1047-R1051 PolarHBondContact O-N 3.42Å; E1047-R1051 IonicContact OE2-NH2 3.46Å |
| 1048 | N | 41.4 | Very low | 39.3 | Very low | 89 Ų | 89 | 135.3 Ų | 135.3 | 48% | 0.476 | 70% | 0.697 | S | S | . | * | H | α-helix | trans | -67.4 | -37 | -179.1 | -77.5 | -57.3 | 0 | 0 | 0 | 112.2 | D1044 A1046 L1050 R1051 | D1044-N1048 PolarHBondContact O-ND2 2.88Å; A1046-N1048 PolarHBondContact O-N 3.08Å; N1048-L1050 VanDerWaalsContact C-N 3.33Å; N1048-L1050 PolarHBondContact O-N 2.61Å; N1048-R1051 PolarHBondContact O-N 3.22Å |
| 1049 | N | 39.6 | Very low | 39.3 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -66.9 | -31.9 | 176.3 | -76.1 | -62.5 | 0 | 0 | 0 | 112.8 | E1045 R1051 | E1045-N1049 PolarHBondContact O-ND2 2.84Å; N1049-R1051 VanDerWaalsContact C-N 3.34Å; N1049-R1051 PolarHBondContact O-N 2.97Å |
| 1050 | L | 42.7 | Very low | 39.4 | Very low | 130 Ų | 130 | 137 Ų | 137 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -73.7 | -16.9 | 175.4 | -94.5 | 118.3 | 0 | 0 | 0 | 114.7 | E1047 N1048 | E1047-L1050 PolarHBondContact O-N 2.88Å; N1048-L1050 VanDerWaalsContact C-N 3.33Å; N1048-L1050 PolarHBondContact O-N 2.61Å |
| 1051 | R | 42.3 | Very low | 39.4 | Very low | 158 Ų | 158 | 135 Ų | 135 | 60% | 0.596 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -79.5 | -41.8 | 175.2 | -75.2 | -171.1 | 177.2 | 130.4 | 14.9 | 112.6 | E1047 N1048 N1049 M1053 K1054 | E1047-R1051 PolarHBondContact O-N 3.42Å; E1047-R1051 IonicContact OE2-NH2 3.46Å; N1048-R1051 PolarHBondContact O-N 3.22Å; N1049-R1051 VanDerWaalsContact C-N 3.34Å; N1049-R1051 PolarHBondContact O-N 2.97Å; R1051-M1053 PolarHBondContact O-N 3.01Å; R1051-K1054 PolarHBondContact O-N 3.06Å; R1051-K1054 VanDerWaalsContact O-N 3.08Å |
| 1052 | N | 41.7 | Very low | 39.4 | Very low | 124 Ų | 124 | 134 Ų | 134 | 66% | 0.663 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -65.3 | -22.7 | -175.3 | -68.8 | -8.6 | 0 | 0 | 0 | 113.6 | K1054 | N1052-K1054 VanDerWaalsContact C-N 3.31Å; N1052-K1054 PolarHBondContact O-N 3.05Å |
| 1053 | M | 40.4 | Very low | 39.2 | Very low | 167 Ų | 167 | 136 Ų | 136 | 82% | 0.823 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81 | 0.7 | 175.2 | -69.4 | -160.1 | 73.9 | 0 | 0 | 115 | R1051 | R1051-M1053 PolarHBondContact O-N 3.01Š|
| 1054 | K | 42.7 | Very low | 39.1 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 7.8 | -177.1 | -81.3 | -170.3 | 171.9 | -177.6 | 0 | 115.9 | R1051 N1052 | R1051-K1054 PolarHBondContact O-N 3.06Å; R1051-K1054 VanDerWaalsContact O-N 3.08Å; N1052-K1054 VanDerWaalsContact C-N 3.31Å; N1052-K1054 PolarHBondContact O-N 3.05Å |
| 1055 | E | 41.9 | Very low | 38.7 | Very low | 176 Ų | 176 | 140.3 Ų | 140.3 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -109 | -4 | 176.8 | -65.2 | -163.6 | 140.2 | 0 | 0 | 115 | ||
| 1056 | E | 38.3 | Very low | 38.6 | Very low | 184 Ų | 184 | 144.2 Ų | 144.2 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -91.6 | -25.8 | 178.7 | -80.4 | -162.5 | 131 | 0 | 0 | 115.7 | G1058 | E1056-G1058 PolarHBondContact O-N 2.93Š|
| 1057 | E | 39.2 | Very low | 38.6 | Very low | 204 Ų | 204 | 148.5 Ų | 148.5 | 95% | 0.953 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -81 | 64.8 | 176.3 | -68.2 | -163.3 | 133.8 | 0 | 0 | 112.1 | ||
| 1058 | G | 42.4 | Very low | 38.4 | Very low | 62 Ų | 62 | 150.1 Ų | 150.1 | 64% | 0.639 | 80% | 0.795 | S | S | * | * | trans | -148.1 | 11.1 | -169.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | E1056 | E1056-G1058 PolarHBondContact O-N 2.93Š| ||
| 1059 | R | 34.4 | Very low | 38.2 | Very low | 244 Ų | 244 | 153.5 Ų | 153.5 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -140 | 101.4 | 179.9 | -68.1 | -172.1 | 179.6 | 172.7 | 3.2 | 113.7 | ||||
| 1060 | S | 34.4 | Very low | 38.1 | Very low | 130 Ų | 130 | 155.8 Ų | 155.8 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -79.1 | 133.4 | 163.5 | 49 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1061 | A | 33.5 | Very low | 37.8 | Very low | 103 Ų | 103 | 157.4 Ų | 157.4 | 85% | 0.851 | 83% | 0.833 | S | S | * | * | trans | -114.8 | 100.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1062 | G | 34.3 | Very low | 37.5 | Very low | 79 Ų | 79 | 157.3 Ų | 157.3 | 81% | 0.814 | 85% | 0.849 | S | S | * | * | trans | -91.2 | 114.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1063 | I | 34.1 | Very low | 37.2 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 85% | 0.846 | 86% | 0.862 | S | S | * | * | trans | -131.4 | 133.6 | 165.5 | -64.2 | -177 | 0 | 0 | 0 | 108.3 | ||||
| 1064 | L | 38.4 | Very low | 37 | Very low | 158 Ų | 158 | 159.2 Ų | 159.2 | 83% | 0.827 | 87% | 0.865 | S | S | * | * | trans | -102.5 | 168.1 | 174.1 | -92.7 | 158.7 | 0 | 0 | 0 | 109.8 | ||||
| 1065 | I | 32.3 | Very low | 36.5 | Very low | 151 Ų | 151 | 157.1 Ų | 157.1 | 77% | 0.774 | 87% | 0.87 | S | S | * | * | trans | 72.8 | 114.9 | 174.5 | -44.1 | 175.4 | 0 | 0 | 0 | 111.2 | ||||
| 1066 | N | 35.1 | Very low | 36 | Very low | 229 Ų | 229 | 155.4 Ų | 155.4 | 100% | 1.225 | 88% | 0.875 | S | S | * | * | cis | -142.4 | 0 | 22.2 | -118.7 | -9.5 | 0 | 0 | 0 | 110.9 |
Retrieved 1,066 of 1,066 residues in 397.2 ms
(Link to these results)