| 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 | 87.7 | Confident | 93.9 | Very high | 73 Ų | 73 | 45.3 Ų | 45.3 | 36% | 0.36 | 24% | 0.239 | S | C | . | . | 0 | 131.9 | 0 | -62.8 | -55.1 | -70.2 | 0 | 0 | 107.8 | V16 V17 V69 W71 | M1-V16 WeakPolarHBondContact O-CA 3.08Å; M1-V17 HydrophobicContact CB-CG2 4.13Å; M1-V17 PolarHBondContact N-O 3.48Å; M1-V17 PolarHBondContact O-N 2.85Å; M1-V69 HydrophobicContact CE-CG1 3.66Å; M1-W71 HydrophobicContact CB-CE3 3.94Å; M1-W71 HydrophobicContact CB-CH2 3.77Å; M1-W71 HydrophobicContact CB-CZ2 4.41Å; M1-W71 HydrophobicContact CB-CZ3 3.5Å; M1-W71 HydrophobicContact CE-CH2 3.94Å; M1-W71 HydrophobicContact CE-CZ2 3.53Å; M1-W71 HydrophobicContact CG-CH2 3.6Å; M1-W71 HydrophobicContact CG-CZ2 4.22Å; M1-W71 HydrophobicContact CG-CZ3 3.86Å | |||
| 2 | H | 92.3 | Very high | 94.1 | Very high | 83 Ų | 83 | 47 Ų | 47 | 38% | 0.384 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 125.9 | -177.3 | -157.6 | -87.8 | 0 | 0 | 0 | 111 | E14 W71 | H2-E14 IonicContact CE1-OE2 3.79Å; H2-E14 PolarHBondContact CE1-OE2 3.41Å; H2-W71 PolarHBondContact O-N 2.63Å |
| 3 | C | 95.3 | Very high | 94.2 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 140.3 | 175 | -66.9 | 0 | 0 | 0 | 0 | 109.6 | E14 C15 V17 L26 W71 F73 | C3-E14 WeakPolarHBondContact O-CA 3.36Å; C3-C15 PolarHBondContact N-O 3.11Å; C3-C15 PolarHBondContact O-N 2.91Å; C3-V17 WeakPolarHBondContact SG-CG2 3.35Å; C3-L26 HydrophobicContact CB-CD1 3.96Å; C3-L26 HydrophobicContact CB-CD2 4.2Å; C3-W71 WeakPolarHBondContact CA-O 3.19Å; C3-F73 HydrophobicContact CB-CE2 4.41Å |
| 4 | K | 96 | Very high | 94.4 | Very high | 71 Ų | 71 | 50.1 Ų | 50.1 | 31% | 0.309 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 121.9 | 172.4 | -176.1 | -179 | -174.9 | 92 | 0 | 107.4 | V12 E14 W71 N72 F73 | K4-V12 HydrophobicContact CD-CG1 4.2Å; K4-V12 HydrophobicContact CG-CG1 3.47Å; K4-V12 VanDerWaalsContact CG-CG1 3.47Å; K4-E14 HydrophobicContact CB-CG 4.47Å; K4-E14 WeakPolarHBondContact CD-OE1 3.21Å; K4-E14 HydrophobicContact CG-CG 4.15Å; K4-E14 WeakPolarHBondContact CG-OE1 3.19Å; K4-E14 IonicContact NZ-OE1 2.67Å; K4-E14 PolarHBondContact NZ-OE1 3.11Å; K4-W71 PolarHBondContact N-O 2.87Å; K4-N72 CarbonylContact O-C 3.51Å; K4-N72 WeakPolarHBondContact O-CA 3.47Å; K4-F73 PolarHBondContact O-N 2.94Å |
| 5 | V | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 112.7 | -178.5 | -173 | 0 | 0 | 0 | 0 | 108.2 | L7 V12 Y13 L26 V30 L44 F73 F75 | V5-L7 HydrophobicContact CG1-CD2 4.13Å; V5-V12 WeakPolarHBondContact O-CA 3.29Å; V5-Y13 HydrophobicContact CG2-CD1 4.46Å; V5-Y13 PolarHBondContact N-O 3.12Å; V5-Y13 PolarHBondContact O-N 2.99Å; V5-L26 HydrophobicContact CG2-CD1 4.4Å; V5-V30 HydrophobicContact CB-CG2 4.35Å; V5-V30 HydrophobicContact CG1-CG2 4.17Å; V5-V30 HydrophobicContact CG2-CG2 4.01Å; V5-L44 HydrophobicContact CG1-CD2 3.72Å; V5-F73 WeakPolarHBondContact CA-O 3.41Å; V5-F73 HydrophobicContact CG2-CB 4.36Å; V5-F73 HydrophobicContact CG2-CD2 4.31Å; V5-F75 HydrophobicContact CG1-CB 4.06Å |
| 6 | S | 96.5 | Very high | 94.4 | Very high | 51 Ų | 51 | 50.8 Ų | 50.8 | 36% | 0.357 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 130.8 | 167.6 | -57.7 | 0 | 0 | 0 | 0 | 109.3 | F73 T74 F75 | S6-F73 PolarHBondContact N-O 2.82Å; S6-T74 WeakPolarHBondContact O-CA 3.34Å; S6-F75 PolarHBondContact O-N 3.26Å |
| 7 | L | 96.9 | Very high | 94.4 | Very high | 7 Ų | 7 | 48 Ų | 48 | 4% | 0.037 | 26% | 0.255 | C | S | . | . | trans | -96.9 | 175.8 | -176 | -61.3 | 177.2 | 0 | 0 | 0 | 111.1 | V5 D9 T11 V30 L34 F75 | V5-L7 HydrophobicContact CG1-CD2 4.13Å; L7-D9 VanDerWaalsContact C-N 3.32Å; L7-D9 VanDerWaalsContact CB-OD1 3.31Å; L7-D9 WeakPolarHBondContact CB-OD1 3.29Å; L7-T11 WeakPolarHBondContact CD1-OG1 3.42Å; L7-T11 PolarHBondContact N-O 3.04Å; L7-V30 HydrophobicContact CD2-CG1 3.91Å; L7-L34 HydrophobicContact CD1-CD2 3.79Å; L7-L34 HydrophobicContact CD2-CD1 4.28Å; L7-L34 HydrophobicContact CD2-CD2 4.14Å; L7-L34 HydrophobicContact CG-CD2 4.49Å; L7-F75 HydrophobicContact CD2-CB 3.99Å; L7-F75 HydrophobicContact CD2-CG 4.46Å | ||
| 8 | L | 95.3 | Very high | 94.3 | Very high | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.021 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -14.5 | -176.4 | -71 | 169.3 | 0 | 0 | 0 | 113.6 | D10 F42 F75 Y95 L98 Q99 Q102 | L8-D10 VanDerWaalsContact C-N 3.3Å; L8-F42 HydrophobicContact CD1-CE1 4.3Å; L8-F75 HydrophobicContact CD1-CD1 3.85Å; L8-F75 HydrophobicContact CD1-CE1 4.05Å; L8-F75 WeakPolarHBondContact CD2-O 3.22Å; L8-F75 HydrophobicContact CG-CD1 4.1Å; L8-Y95 HydrophobicContact CB-CD1 4.33Å; L8-Y95 HydrophobicContact CD1-CD1 4.43Å; L8-L98 HydrophobicContact CB-CB 3.98Å; L8-L98 HydrophobicContact CB-CD1 4.19Å; L8-Q99 HydrophobicContact CD1-CB 4.3Å; L8-Q99 HydrophobicContact CD2-CB 4.06Å; L8-Q102 PolarHBondContact O-NE2 2.89Å |
| 9 | D | 91.4 | Very high | 94.1 | Very high | 18 Ų | 18 | 57 Ų | 57 | 10% | 0.096 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 20.8 | 173.6 | 67.8 | -19.2 | 0 | 0 | 0 | 112.5 | L7 T11 L98 T325 | L7-D9 VanDerWaalsContact C-N 3.32Å; L7-D9 VanDerWaalsContact CB-OD1 3.31Å; L7-D9 WeakPolarHBondContact CB-OD1 3.29Å; D9-T11 VanDerWaalsContact CG-OG1 3.3Å; D9-T11 PolarHBondContact O-N 2.65Å; D9-T11 WeakPolarHBondContact OD1-CB 3.37Å; D9-T11 PolarHBondContact OD1-N 3.06Å; D9-T11 PolarHBondContact OD1-OG1 2.95Å; D9-T11 VanDerWaalsContact OD2-CG2 3.27Å; D9-T11 WeakPolarHBondContact OD2-CG2 3.22Å; D9-T11 PolarHBondContact OD2-OG1 3.08Å; D9-L98 HydrophobicContact CB-CD1 4.13Å; D9-T325 HydrophobicContact CB-CG2 4.2Å; D9-T325 WeakPolarHBondContact CB-OG1 3.04Å; D9-T325 WeakPolarHBondContact O-CG2 3.1Å |
| 10 | D | 90.5 | Very high | 94 | Very high | 139 Ų | 139 | 59.5 Ų | 59.5 | 74% | 0.743 | 30% | 0.302 | S | S | * | . | S | Bend | trans | 57.7 | 6.4 | -172.1 | -64.5 | -26.8 | 0 | 0 | 0 | 115.5 | L8 | L8-D10 VanDerWaalsContact C-N 3.3Š|
| 11 | T | 93.8 | Very high | 94.1 | Very high | 52 Ų | 52 | 57 Ų | 57 | 32% | 0.319 | 29% | 0.291 | S | S | . | . | trans | -78.4 | 172.4 | 173.3 | 73 | 0 | 0 | 0 | 0 | 112.1 | L7 D9 | L7-T11 WeakPolarHBondContact CD1-OG1 3.42Å; L7-T11 PolarHBondContact N-O 3.04Å; D9-T11 VanDerWaalsContact CG-OG1 3.3Å; D9-T11 PolarHBondContact O-N 2.65Å; D9-T11 WeakPolarHBondContact OD1-CB 3.37Å; D9-T11 PolarHBondContact OD1-N 3.06Å; D9-T11 PolarHBondContact OD1-OG1 2.95Å; D9-T11 VanDerWaalsContact OD2-CG2 3.27Å; D9-T11 WeakPolarHBondContact OD2-CG2 3.22Å; D9-T11 PolarHBondContact OD2-OG1 3.08Å | ||
| 12 | V | 95.8 | Very high | 94.5 | Very high | 66 Ų | 66 | 58.5 Ų | 58.5 | 40% | 0.4 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 121 | -178.2 | -179 | 0 | 0 | 0 | 0 | 110 | K4 V5 E14 | K4-V12 HydrophobicContact CD-CG1 4.2Å; K4-V12 HydrophobicContact CG-CG1 3.47Å; K4-V12 VanDerWaalsContact CG-CG1 3.47Å; V5-V12 WeakPolarHBondContact O-CA 3.29Å; V12-E14 HydrophobicContact CG1-CG 3.77Å |
| 13 | Y | 96.3 | Very high | 94.5 | Very high | 44 Ų | 44 | 54.6 Ų | 54.6 | 17% | 0.173 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 123.2 | 168.2 | 175.6 | -108.2 | 0 | 0 | 0 | 110 | V5 C15 V30 H33 | V5-Y13 HydrophobicContact CG2-CD1 4.46Å; V5-Y13 PolarHBondContact N-O 3.12Å; V5-Y13 PolarHBondContact O-N 2.99Å; Y13-C15 HydrophobicContact CE1-CB 3.72Å; Y13-V30 HydrophobicContact CD1-CG2 3.83Å; Y13-V30 HydrophobicContact CE1-CG2 4.04Å; Y13-H33 HydrophobicContact CD2-CB 4.04Å; Y13-H33 AromaticContact CD2-CD2 3.17Å; Y13-H33 WeakPolarHBondContact CD2-CD2 3.49Å; Y13-H33 AromaticContact CD2-CG 3.47Å; Y13-H33 VanDerWaalsContact CD2-CG 3.47Å; Y13-H33 AromaticContact CD2-ND1 3.99Å; Y13-H33 AromaticContact CD2-NE2 3.54Å; Y13-H33 HydrophobicContact CE2-CB 3.73Å; Y13-H33 AromaticContact CE2-CD2 3.78Å; Y13-H33 AromaticContact CE2-CG 3.55Å; Y13-H33 AromaticContact CG-CD2 3.7Å |
| 14 | E | 96.4 | Very high | 94.5 | Very high | 94 Ų | 94 | 57.3 Ų | 57.3 | 44% | 0.439 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 133.9 | 176.8 | -57.4 | -159.2 | 160.5 | 0 | 0 | 110.6 | H2 C3 K4 V12 | H2-E14 IonicContact CE1-OE2 3.79Å; H2-E14 PolarHBondContact CE1-OE2 3.41Å; C3-E14 WeakPolarHBondContact O-CA 3.36Å; K4-E14 HydrophobicContact CB-CG 4.47Å; K4-E14 WeakPolarHBondContact CD-OE1 3.21Å; K4-E14 HydrophobicContact CG-CG 4.15Å; K4-E14 WeakPolarHBondContact CG-OE1 3.19Å; K4-E14 IonicContact NZ-OE1 2.67Å; K4-E14 PolarHBondContact NZ-OE1 3.11Å; V12-E14 HydrophobicContact CG1-CG 3.77Å |
| 15 | C | 95 | Very high | 94.5 | Very high | 14 Ų | 14 | 57.2 Ų | 57.2 | 10% | 0.095 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 162.8 | -178.6 | 81.5 | 0 | 0 | 0 | 0 | 113.1 | C3 Y13 L26 | C3-C15 PolarHBondContact N-O 3.11Å; C3-C15 PolarHBondContact O-N 2.91Å; Y13-C15 HydrophobicContact CE1-CB 3.72Å; C15-L26 VanDerWaalsContact SG-CD1 3.55Å |
| 16 | V | 94.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 57.2 Ų | 57.2 | 58% | 0.582 | 29% | 0.293 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 112.7 | 178 | -174.9 | 0 | 0 | 0 | 0 | 110.3 | M1 R29 | M1-V16 WeakPolarHBondContact O-CA 3.08Å; V16-R29 PolarHBondContact O-NH1 2.96Å |
| 17 | V | 93.8 | Very high | 94.5 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 28% | 0.278 | C | S | . | . | trans | -98.4 | 159.9 | 174.6 | -56.7 | 0 | 0 | 0 | 0 | 111.9 | M1 C3 A21 L26 I62 W71 | M1-V17 HydrophobicContact CB-CG2 4.13Å; M1-V17 PolarHBondContact N-O 3.48Å; M1-V17 PolarHBondContact O-N 2.85Å; C3-V17 WeakPolarHBondContact SG-CG2 3.35Å; V17-A21 HydrophobicContact CB-CB 3.85Å; V17-A21 HydrophobicContact CG2-CB 4.1Å; V17-L26 HydrophobicContact CG1-CB 4.36Å; V17-L26 HydrophobicContact CG1-CD1 3.83Å; V17-I62 HydrophobicContact CG2-CD1 4.31Å; V17-W71 HydrophobicContact CG2-CE3 4.3Å; V17-W71 HydrophobicContact CG2-CZ3 3.95Å | ||
| 18 | E | 93.3 | Very high | 94.4 | Very high | 144 Ų | 144 | 59.9 Ų | 59.9 | 67% | 0.673 | 30% | 0.298 | S | S | * | . | trans | -65.6 | 158.1 | 175.7 | -66.5 | -175.8 | -161 | 0 | 0 | 112.9 | H20 A21 | E18-H20 PolarHBondContact O-N 3.24Å; E18-H20 VanDerWaalsContact O-N 3.15Å; E18-A21 HydrophobicContact CB-CB 4.3Å; E18-A21 WeakPolarHBondContact O-CB 3.45Å; E18-A21 PolarHBondContact O-N 2.74Å | ||
| 19 | K | 89.3 | Confident | 94.5 | Very high | 123 Ų | 123 | 63.7 Ų | 63.7 | 54% | 0.535 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -29.3 | 178.7 | -179.2 | -175.2 | 169.9 | -167.4 | 0 | 113.4 | ||
| 20 | H | 93.3 | Very high | 94.8 | Very high | 106 Ų | 106 | 62.9 Ų | 62.9 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117 | 16.9 | -177.7 | -63.4 | -74.6 | 0 | 0 | 0 | 113.1 | E18 E61 | E18-H20 PolarHBondContact O-N 3.24Å; E18-H20 VanDerWaalsContact O-N 3.15Å; H20-E61 HydrophobicContact CB-CG 4.41Å; H20-E61 IonicContact CE1-OE2 2.65Å; H20-E61 IonicContact CG-OE2 3.4Å; H20-E61 IonicContact ND1-OE2 2.64Å; H20-E61 PolarHBondContact ND1-OE2 2.96Å; H20-E61 WeakPolarHBondContact O-CG 3.49Å |
| 21 | A | 95.3 | Very high | 95.1 | Very high | 9 Ų | 9 | 56.4 Ų | 56.4 | 7% | 0.074 | 27% | 0.274 | C | S | . | . | trans | -59.7 | 138.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | V17 E18 D25 E61 I62 | V17-A21 HydrophobicContact CB-CB 3.85Å; V17-A21 HydrophobicContact CG2-CB 4.1Å; E18-A21 HydrophobicContact CB-CB 4.3Å; E18-A21 WeakPolarHBondContact O-CB 3.45Å; E18-A21 PolarHBondContact O-N 2.74Å; A21-D25 WeakPolarHBondContact CA-OD2 3.17Å; A21-D25 HydrophobicContact CB-CB 4.33Å; A21-E61 CarbonylContact O-C 3.5Å; A21-E61 WeakPolarHBondContact O-CA 3.4Å; A21-I62 HydrophobicContact CB-CD1 4.39Å; A21-I62 WeakPolarHBondContact O-CG1 3.39Å; A21-I62 PolarHBondContact O-N 3.31Å | ||
| 22 | K | 95.4 | Very high | 95.2 | Very high | 103 Ų | 103 | 59.3 Ų | 59.3 | 45% | 0.448 | 28% | 0.283 | S | S | . | . | B | Isolated β-bridge | trans | -87 | 166.9 | 175.2 | -60 | 171.2 | -174.7 | 162 | 0 | 111.1 | Q24 D25 S58 K60 I62 | K22-Q24 VanDerWaalsContact C-N 3.27Å; K22-Q24 PolarHBondContact O-N 2.98Å; K22-D25 PolarHBondContact N-OD2 3.09Å; K22-D25 PolarHBondContact O-N 2.77Å; K22-D25 VanDerWaalsContact O-N 3.14Å; K22-S58 WeakPolarHBondContact CB-O 3.47Å; K22-K60 CarbonylContact C-O 3.56Å; K22-K60 VanDerWaalsContact CA-O 3.27Å; K22-K60 WeakPolarHBondContact CA-O 3.4Å; K22-I62 WeakPolarHBondContact O-CD1 3.4Å |
| 23 | G | 94.3 | Very high | 95.1 | Very high | 1 Ų | 1 | 61 Ų | 61 | 1% | 0.01 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57.5 | -36.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | D25 L26 L27 S58 K60 | G23-D25 VanDerWaalsContact C-N 3.33Å; G23-D25 PolarHBondContact O-N 3.5Å; G23-L26 PolarHBondContact O-N 3.2Å; G23-L27 WeakPolarHBondContact O-CB 3.44Å; G23-L27 PolarHBondContact O-N 2.69Å; G23-S58 PolarHBondContact N-O 3.1Å; G23-K60 PolarHBondContact N-O 2.84Å |
| 24 | Q | 94.7 | Very high | 95 | Very high | 57 Ų | 57 | 59.4 Ų | 59.4 | 27% | 0.266 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.5 | -37.7 | 176.4 | -162.7 | 67.2 | 18.9 | 0 | 0 | 112.2 | K22 L26 L27 K28 E39 S58 | K22-Q24 VanDerWaalsContact C-N 3.27Å; K22-Q24 PolarHBondContact O-N 2.98Å; Q24-L26 VanDerWaalsContact C-N 3.25Å; Q24-L26 PolarHBondContact O-N 3.35Å; Q24-L27 PolarHBondContact O-N 2.82Å; Q24-K28 WeakPolarHBondContact O-CB 3.47Å; Q24-K28 PolarHBondContact O-N 3.24Å; Q24-E39 PolarHBondContact NE2-OE1 2.96Å; Q24-S58 PolarHBondContact N-O 3.16Å; Q24-S58 VanDerWaalsContact OE1-CB 3.24Å; Q24-S58 PolarHBondContact OE1-OG 3Å |
| 25 | D | 95.4 | Very high | 95 | Very high | 70 Ų | 70 | 58.3 Ų | 58.3 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -67.6 | -28.8 | -175.8 | -46.3 | -24.8 | 0 | 0 | 0 | 111.8 | A21 K22 G23 R29 | A21-D25 WeakPolarHBondContact CA-OD2 3.17Å; A21-D25 HydrophobicContact CB-CB 4.33Å; K22-D25 PolarHBondContact N-OD2 3.09Å; K22-D25 PolarHBondContact O-N 2.77Å; K22-D25 VanDerWaalsContact O-N 3.14Å; G23-D25 VanDerWaalsContact C-N 3.33Å; G23-D25 PolarHBondContact O-N 3.5Å; D25-R29 WeakPolarHBondContact O-CG 3.21Å |
| 26 | L | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -82.4 | -42.1 | 171.5 | 179.2 | 61.5 | 0 | 0 | 0 | 111.9 | C3 V5 C15 V17 G23 Q24 K28 R29 V30 L44 I62 F73 | C3-L26 HydrophobicContact CB-CD1 3.96Å; C3-L26 HydrophobicContact CB-CD2 4.2Å; V5-L26 HydrophobicContact CG2-CD1 4.4Å; C15-L26 VanDerWaalsContact SG-CD1 3.55Å; V17-L26 HydrophobicContact CG1-CB 4.36Å; V17-L26 HydrophobicContact CG1-CD1 3.83Å; G23-L26 PolarHBondContact O-N 3.2Å; Q24-L26 VanDerWaalsContact C-N 3.25Å; Q24-L26 PolarHBondContact O-N 3.35Å; L26-K28 PolarHBondContact O-N 3.35Å; L26-R29 PolarHBondContact O-N 2.96Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 2.7Å; L26-V30 VanDerWaalsContact O-N 3.16Å; L26-L44 HydrophobicContact CB-CD1 4.09Å; L26-L44 HydrophobicContact CD2-CD1 3.73Å; L26-L44 HydrophobicContact CG-CD1 3.59Å; L26-I62 HydrophobicContact CB-CD1 3.74Å; L26-I62 HydrophobicContact CD2-CD1 3.98Å; L26-F73 HydrophobicContact CD2-CD2 3.69Å; L26-F73 HydrophobicContact CD2-CE2 3.44Å; L26-F73 VanDerWaalsContact CD2-CE2 3.44Å; L26-F73 HydrophobicContact CD2-CG 4.44Å; L26-F73 HydrophobicContact CD2-CZ 4.04Å |
| 27 | L | 96.7 | Very high | 94.9 | Very high | 9 Ų | 9 | 57.1 Ų | 57.1 | 5% | 0.047 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.2 | -48.8 | 177.1 | 176.9 | 60.6 | 0 | 0 | 0 | 111.1 | G23 Q24 R29 V30 C31 L44 F75 | G23-L27 WeakPolarHBondContact O-CB 3.44Å; G23-L27 PolarHBondContact O-N 2.69Å; Q24-L27 PolarHBondContact O-N 2.82Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-R29 PolarHBondContact O-N 2.87Å; L27-V30 WeakPolarHBondContact O-CA 3.27Å; L27-V30 WeakPolarHBondContact O-CB 3.42Å; L27-V30 PolarHBondContact O-N 2.77Å; L27-C31 PolarHBondContact O-N 2.83Å; L27-C31 PolarHBondContact O-SG 2.87Å; L27-L44 HydrophobicContact CB-CD1 4.22Å; L27-L44 HydrophobicContact CB-CG 4.48Å; L27-L44 HydrophobicContact CD1-CG 4.21Å; L27-F75 HydrophobicContact CD1-CD2 4.29Å; L27-F75 HydrophobicContact CD1-CE2 3.95Å |
| 28 | K | 95.9 | Very high | 95 | Very high | 105 Ų | 105 | 57 Ų | 57 | 46% | 0.457 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.2 | -42.1 | 179.3 | -172.6 | 171.9 | -171.7 | -74.1 | 0 | 112.3 | Q24 L26 V30 C31 E32 | Q24-K28 WeakPolarHBondContact O-CB 3.47Å; Q24-K28 PolarHBondContact O-N 3.24Å; L26-K28 PolarHBondContact O-N 3.35Å; K28-V30 VanDerWaalsContact C-N 3.31Å; K28-V30 PolarHBondContact O-N 2.88Å; K28-C31 PolarHBondContact O-N 2.95Å; K28-E32 HydrophobicContact CG-CG 4.45Å; K28-E32 IonicContact NZ-OE1 2.92Å; K28-E32 PolarHBondContact NZ-OE1 2.93Å; K28-E32 WeakPolarHBondContact O-CB 3.36Å; K28-E32 WeakPolarHBondContact O-CG 3.41Å; K28-E32 PolarHBondContact O-N 3.26Å |
| 29 | R | 97.1 | Very high | 95.1 | Very high | 84 Ų | 84 | 51.8 Ų | 51.8 | 32% | 0.317 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.6 | -32.5 | 175.3 | -73 | 177.5 | 179.7 | -162.2 | 1.8 | 113.4 | V16 D25 L26 L27 E32 H33 | V16-R29 PolarHBondContact O-NH1 2.96Å; D25-R29 WeakPolarHBondContact O-CG 3.21Å; L26-R29 PolarHBondContact O-N 2.96Å; L27-R29 VanDerWaalsContact C-N 3.31Å; L27-R29 PolarHBondContact O-N 2.87Å; R29-E32 WeakPolarHBondContact CA-OE2 3.42Å; R29-H33 WeakPolarHBondContact O-CB 3.38Å; R29-H33 PolarHBondContact O-N 3.02Å; R29-H33 VanDerWaalsContact O-N 3.08Å |
| 30 | V | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -69.8 | -48.4 | 172.5 | 175.4 | 0 | 0 | 0 | 0 | 109.6 | V5 L7 Y13 L26 L27 K28 E32 H33 L34 L44 F75 | V5-V30 HydrophobicContact CB-CG2 4.35Å; V5-V30 HydrophobicContact CG1-CG2 4.17Å; V5-V30 HydrophobicContact CG2-CG2 4.01Å; L7-V30 HydrophobicContact CD2-CG1 3.91Å; Y13-V30 HydrophobicContact CD1-CG2 3.83Å; Y13-V30 HydrophobicContact CE1-CG2 4.04Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 2.7Å; L26-V30 VanDerWaalsContact O-N 3.16Å; L27-V30 WeakPolarHBondContact O-CA 3.27Å; L27-V30 WeakPolarHBondContact O-CB 3.42Å; L27-V30 PolarHBondContact O-N 2.77Å; K28-V30 VanDerWaalsContact C-N 3.31Å; K28-V30 PolarHBondContact O-N 2.88Å; V30-E32 VanDerWaalsContact C-N 3.32Å; V30-E32 PolarHBondContact O-N 3.21Å; V30-H33 PolarHBondContact O-N 3.46Å; V30-H33 VanDerWaalsContact O-N 3.13Å; V30-L34 HydrophobicContact CG1-CD1 3.77Å; V30-L34 HydrophobicContact CG1-CG 4.17Å; V30-L34 WeakPolarHBondContact O-CB 3.47Å; V30-L34 VanDerWaalsContact O-CG 3.26Å; V30-L34 WeakPolarHBondContact O-CG 3.12Å; V30-L34 PolarHBondContact O-N 3.4Å; V30-L44 HydrophobicContact CG2-CD2 4.43Å; V30-F75 HydrophobicContact CG1-CB 4.45Å; V30-F75 HydrophobicContact CG1-CD2 3.61Å; V30-F75 HydrophobicContact CG1-CE2 3.98Å; V30-F75 HydrophobicContact CG1-CG 4.08Å |
| 31 | C | 96.5 | Very high | 95.6 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.1 | -40.8 | 176.5 | -57.3 | 0 | 0 | 0 | 0 | 112.6 | L27 K28 L34 N35 L36 E39 | L27-C31 PolarHBondContact O-N 2.83Å; L27-C31 PolarHBondContact O-SG 2.87Å; K28-C31 PolarHBondContact O-N 2.95Å; C31-L34 CarbonylContact O-C 3.59Å; C31-L34 PolarHBondContact O-N 2.94Å; C31-N35 PolarHBondContact O-N 2.97Å; C31-L36 PolarHBondContact O-N 2.78Å; C31-E39 HydrophobicContact CB-CB 4.18Å; C31-E39 WeakPolarHBondContact SG-CB 3.2Å; C31-E39 PolarHBondContact SG-OE2 2.84Å |
| 32 | E | 95.4 | Very high | 95.7 | Very high | 113 Ų | 113 | 41.7 Ų | 41.7 | 53% | 0.528 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -60.2 | -45 | 172.9 | -75.7 | 166.7 | 169.6 | 0 | 0 | 112 | K28 R29 V30 N35 | K28-E32 HydrophobicContact CG-CG 4.45Å; K28-E32 IonicContact NZ-OE1 2.92Å; K28-E32 PolarHBondContact NZ-OE1 2.93Å; K28-E32 WeakPolarHBondContact O-CB 3.36Å; K28-E32 WeakPolarHBondContact O-CG 3.41Å; K28-E32 PolarHBondContact O-N 3.26Å; R29-E32 WeakPolarHBondContact CA-OE2 3.42Å; V30-E32 VanDerWaalsContact C-N 3.32Å; V30-E32 PolarHBondContact O-N 3.21Å; E32-N35 PolarHBondContact O-N 2.94Å |
| 33 | H | 95 | Very high | 95.8 | Very high | 102 Ų | 102 | 37.1 Ų | 37.1 | 47% | 0.472 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -66.1 | -37.7 | 176.1 | 174.7 | 55.4 | 0 | 0 | 0 | 112.8 | Y13 R29 V30 N35 | Y13-H33 HydrophobicContact CD2-CB 4.04Å; Y13-H33 AromaticContact CD2-CD2 3.17Å; Y13-H33 WeakPolarHBondContact CD2-CD2 3.49Å; Y13-H33 AromaticContact CD2-CG 3.47Å; Y13-H33 VanDerWaalsContact CD2-CG 3.47Å; Y13-H33 AromaticContact CD2-ND1 3.99Å; Y13-H33 AromaticContact CD2-NE2 3.54Å; Y13-H33 HydrophobicContact CE2-CB 3.73Å; Y13-H33 AromaticContact CE2-CD2 3.78Å; Y13-H33 AromaticContact CE2-CG 3.55Å; Y13-H33 AromaticContact CG-CD2 3.7Å; R29-H33 WeakPolarHBondContact O-CB 3.38Å; R29-H33 PolarHBondContact O-N 3.02Å; R29-H33 VanDerWaalsContact O-N 3.08Å; V30-H33 PolarHBondContact O-N 3.46Å; V30-H33 VanDerWaalsContact O-N 3.13Å; H33-N35 VanDerWaalsContact C-N 3.27Å; H33-N35 PolarHBondContact O-N 3.45Å |
| 34 | L | 94.8 | Very high | 95.9 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 5% | 0.052 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 0.2 | 177 | -60.5 | 179.8 | 0 | 0 | 0 | 113.5 | L7 V30 C31 L36 F75 I91 Y95 | L7-L34 HydrophobicContact CD1-CD2 3.79Å; L7-L34 HydrophobicContact CD2-CD1 4.28Å; L7-L34 HydrophobicContact CD2-CD2 4.14Å; L7-L34 HydrophobicContact CG-CD2 4.49Å; V30-L34 HydrophobicContact CG1-CD1 3.77Å; V30-L34 HydrophobicContact CG1-CG 4.17Å; V30-L34 WeakPolarHBondContact O-CB 3.47Å; V30-L34 VanDerWaalsContact O-CG 3.26Å; V30-L34 WeakPolarHBondContact O-CG 3.12Å; V30-L34 PolarHBondContact O-N 3.4Å; C31-L34 CarbonylContact O-C 3.59Å; C31-L34 PolarHBondContact O-N 2.94Å; L34-L36 HydrophobicContact CB-CB 4.25Å; L34-L36 PolarHBondContact O-N 3.34Å; L34-F75 HydrophobicContact CD1-CD1 3.83Å; L34-F75 HydrophobicContact CD1-CE1 3.49Å; L34-F75 VanDerWaalsContact CD1-CE1 3.49Å; L34-F75 HydrophobicContact CD1-CE2 4.23Å; L34-F75 HydrophobicContact CD1-CG 4.33Å; L34-F75 HydrophobicContact CD1-CZ 3.7Å; L34-I91 WeakPolarHBondContact O-CD1 3.49Å; L34-Y95 HydrophobicContact CB-CE2 3.98Å; L34-Y95 HydrophobicContact CD1-CE2 4.34Å; L34-Y95 HydrophobicContact CD2-CE1 4.4Å; L34-Y95 WeakPolarHBondContact CD2-OH 3.16Å |
| 35 | N | 94.4 | Very high | 95.9 | Very high | 71 Ų | 71 | 34.6 Ų | 34.6 | 38% | 0.38 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 33.7 | -177.7 | -164.4 | 19.3 | 0 | 0 | 0 | 114.3 | C31 E32 H33 I91 R317 P320 | C31-N35 PolarHBondContact O-N 2.97Å; E32-N35 PolarHBondContact O-N 2.94Å; H33-N35 VanDerWaalsContact C-N 3.27Å; H33-N35 PolarHBondContact O-N 3.45Å; N35-I91 HydrophobicContact CB-CD1 4.4Å; N35-R317 PolarHBondContact O-NH2 3.1Å; N35-R317 PolarHBondContact OD1-NH1 3.03Å; N35-P320 WeakPolarHBondContact ND2-CB 3.27Å |
| 36 | L | 94.9 | Very high | 95.8 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 16% | 0.157 | C | C | . | . | trans | -106.9 | 122.4 | -169.5 | 174.9 | 67.7 | 0 | 0 | 0 | 111.4 | C31 L34 F42 F75 I91 T92 Y95 | C31-L36 PolarHBondContact O-N 2.78Å; L34-L36 HydrophobicContact CB-CB 4.25Å; L34-L36 PolarHBondContact O-N 3.34Å; L36-F42 HydrophobicContact CD1-CE2 4.28Å; L36-F42 HydrophobicContact CD2-CD2 3.77Å; L36-F42 HydrophobicContact CD2-CE2 3.75Å; L36-F42 HydrophobicContact CD2-CG 4.28Å; L36-F42 HydrophobicContact CD2-CZ 4.23Å; L36-F75 HydrophobicContact CD2-CZ 3.87Å; L36-I91 HydrophobicContact CD1-CG2 4.12Å; L36-T92 HydrophobicContact CD1-CG2 4.36Å; L36-Y95 HydrophobicContact CD1-CD2 4.42Å; L36-Y95 HydrophobicContact CD2-CD2 4.32Å | ||
| 37 | L | 94.4 | Very high | 95.3 | Very high | 79 Ų | 79 | 37.7 Ų | 37.7 | 41% | 0.414 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -97.7 | -25.6 | -178.8 | -60.2 | -179 | 0 | 0 | 0 | 114.3 | E39 E89 I315 | L37-E39 PolarHBondContact O-N 3.23Å; L37-E89 WeakPolarHBondContact CB-OE2 3.49Å; L37-E89 PolarHBondContact N-OE2 2.64Å; L37-I315 HydrophobicContact CB-CD1 3.82Å; L37-I315 HydrophobicContact CB-CG1 4.5Å; L37-I315 HydrophobicContact CD1-CD1 4.02Å; L37-I315 HydrophobicContact CD1-CG1 3.99Å; L37-I315 HydrophobicContact CD1-CG2 3.81Å |
| 38 | E | 95.2 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -82 | 49.1 | 179.4 | -55.9 | -167.1 | 87.1 | 0 | 0 | 112 | D40 Y41 T88 E89 T92 S312 I315 | E38-D40 VanDerWaalsContact C-N 3.33Å; E38-D40 PolarHBondContact O-N 3.4Å; E38-Y41 HydrophobicContact CB-CD2 4.09Å; E38-Y41 HydrophobicContact CB-CE2 4.27Å; E38-T88 PolarHBondContact OE1-N 2.8Å; E38-T88 PolarHBondContact OE2-N 2.89Å; E38-E89 HydrophobicContact CG-CG 4.36Å; E38-E89 PolarHBondContact OE2-N 3.34Å; E38-T92 HydrophobicContact CB-CG2 3.79Å; E38-T92 HydrophobicContact CG-CG2 4.38Å; E38-T92 VanDerWaalsContact OE2-CB 3.28Å; E38-T92 WeakPolarHBondContact OE2-CB 3.43Å; E38-T92 PolarHBondContact OE2-OG1 2.92Å; E38-S312 PolarHBondContact OE1-OG 3.49Å; E38-I315 HydrophobicContact CG-CD1 4.41Å | ||
| 39 | E | 95.2 | Very high | 93.7 | Very high | 36 Ų | 36 | 40.2 Ų | 40.2 | 17% | 0.168 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -64 | -27.3 | -165.7 | 64.9 | 166.2 | -158.6 | 0 | 0 | 115.6 | Q24 C31 L37 Y41 F42 | Q24-E39 PolarHBondContact NE2-OE1 2.96Å; C31-E39 HydrophobicContact CB-CB 4.18Å; C31-E39 WeakPolarHBondContact SG-CB 3.2Å; C31-E39 PolarHBondContact SG-OE2 2.84Å; L37-E39 PolarHBondContact O-N 3.23Å; E39-Y41 PolarHBondContact O-N 3.1Å; E39-Y41 VanDerWaalsContact O-N 3.15Å; E39-F42 PolarHBondContact O-N 2.66Å |
| 40 | D | 95.9 | Very high | 92.6 | Very high | 16 Ų | 16 | 40.7 Ų | 40.7 | 9% | 0.086 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -64.8 | -22.6 | -172.3 | -59.8 | -97.5 | 0 | 0 | 0 | 114 | E38 F42 F79 F277 R303 T308 | E38-D40 VanDerWaalsContact C-N 3.33Å; E38-D40 PolarHBondContact O-N 3.4Å; D40-F42 PolarHBondContact O-N 3.26Å; D40-F79 VanDerWaalsContact O-CD2 3.29Å; D40-F79 WeakPolarHBondContact O-CD2 3.48Å; D40-F277 HydrophobicContact CB-CE2 3.89Å; D40-R303 WeakPolarHBondContact OD1-CB 3.32Å; D40-R303 PolarHBondContact OD1-N 3Å; D40-R303 IonicContact OD1-NE 2.7Å; D40-R303 IonicContact OD2-CZ 3.19Å; D40-R303 IonicContact OD2-NE 2.83Å; D40-R303 PolarHBondContact OD2-NE 3.22Å; D40-R303 IonicContact OD2-NH2 2.73Å; D40-R303 PolarHBondContact OD2-NH2 2.73Å; D40-T308 HydrophobicContact CB-CG2 4.23Å |
| 41 | Y | 97.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 47.1 Ų | 47.1 | 1% | 0.012 | 26% | 0.259 | C | S | . | . | G | 310 helix | trans | -68.5 | -15.9 | 174.9 | -65.7 | -70.4 | 0 | 0 | 0 | 113 | E38 E39 K78 F79 P81 L87 T92 F277 Q305 T308 | E38-Y41 HydrophobicContact CB-CD2 4.09Å; E38-Y41 HydrophobicContact CB-CE2 4.27Å; E39-Y41 PolarHBondContact O-N 3.1Å; E39-Y41 VanDerWaalsContact O-N 3.15Å; Y41-K78 PolarHBondContact O-N 3.4Å; Y41-F79 WeakPolarHBondContact CD1-O 3.2Å; Y41-F79 PolarHBondContact O-N 2.83Å; Y41-P81 HydrophobicContact CE1-CB 4.08Å; Y41-L87 HydrophobicContact CD2-CD2 3.92Å; Y41-L87 HydrophobicContact CE1-CD2 4.33Å; Y41-L87 HydrophobicContact CE2-CD2 3.34Å; Y41-T92 HydrophobicContact CD2-CG2 4.41Å; Y41-F277 AromaticContact CD1-CE1 3.83Å; Y41-F277 HydrophobicContact CD1-CE1 3.83Å; Y41-F277 AromaticContact CD1-CZ 3.64Å; Y41-F277 HydrophobicContact CD1-CZ 3.64Å; Y41-F277 AromaticContact CE1-CE1 3.76Å; Y41-F277 HydrophobicContact CE1-CE1 3.76Å; Y41-F277 AromaticContact CE1-CZ 3.63Å; Y41-F277 HydrophobicContact CE1-CZ 3.63Å; Y41-F277 HydrophobicContact CG-CZ 4.4Å; Y41-Q305 HydrophobicContact CE1-CG 4.11Å; Y41-Q305 PolarHBondContact OH-NE2 2.93Å; Y41-T308 HydrophobicContact CD2-CG2 4.42Å; Y41-T308 HydrophobicContact CE2-CG2 3.89Å |
| 42 | F | 97.8 | Very high | 90.7 | Very high | 7 Ų | 7 | 48.5 Ų | 48.5 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 174.7 | -170.6 | -61.1 | -93.3 | 0 | 0 | 0 | 112.9 | L8 L36 E39 D40 F75 N76 V77 T92 | L8-F42 HydrophobicContact CD1-CE1 4.3Å; L36-F42 HydrophobicContact CD1-CE2 4.28Å; L36-F42 HydrophobicContact CD2-CD2 3.77Å; L36-F42 HydrophobicContact CD2-CE2 3.75Å; L36-F42 HydrophobicContact CD2-CG 4.28Å; L36-F42 HydrophobicContact CD2-CZ 4.23Å; E39-F42 PolarHBondContact O-N 2.66Å; D40-F42 PolarHBondContact O-N 3.26Å; F42-F75 HydrophobicContact CB-CE1 4.37Å; F42-F75 HydrophobicContact CB-CE2 3.68Å; F42-F75 HydrophobicContact CB-CZ 3.53Å; F42-F75 HydrophobicContact CD1-CD1 4.41Å; F42-F75 AromaticContact CD1-CE1 3.47Å; F42-F75 HydrophobicContact CD1-CE1 3.47Å; F42-F75 VanDerWaalsContact CD1-CE1 3.47Å; F42-F75 HydrophobicContact CD1-CE2 4.34Å; F42-F75 AromaticContact CD1-CZ 3.44Å; F42-F75 HydrophobicContact CD1-CZ 3.44Å; F42-F75 VanDerWaalsContact CD1-CZ 3.44Å; F42-F75 HydrophobicContact CD2-CZ 4.35Å; F42-F75 AromaticContact CE1-CE1 3.99Å; F42-F75 HydrophobicContact CE1-CE1 3.99Å; F42-F75 HydrophobicContact CE1-CZ 4.23Å; F42-F75 HydrophobicContact CG-CE1 4.06Å; F42-F75 HydrophobicContact CG-CE2 4.19Å; F42-F75 AromaticContact CG-CZ 3.51Å; F42-F75 HydrophobicContact CG-CZ 3.51Å; F42-N76 CarbonylContact C-O 3.59Å; F42-N76 WeakPolarHBondContact CA-O 3.27Å; F42-V77 HydrophobicContact CD1-CG2 4.01Å; F42-V77 HydrophobicContact CE1-CG2 3.62Å; F42-V77 HydrophobicContact CZ-CG2 4.36Å; F42-T92 HydrophobicContact CE2-CG2 4.01Å; F42-T92 HydrophobicContact CZ-CG2 4.34Å |
| 43 | G | 96.9 | Very high | 90.4 | Very high | 6 Ų | 6 | 44.7 Ų | 44.7 | 6% | 0.062 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.6 | 168.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | N76 | G43-N76 PolarHBondContact N-O 3.08Å; G43-N76 PolarHBondContact O-N 2.95Å |
| 44 | L | 97 | Very high | 90.1 | Very high | 5 Ų | 5 | 42.4 Ų | 42.4 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 135.1 | 173.9 | -62.3 | 174.6 | 0 | 0 | 0 | 110.3 | V5 L26 L27 V30 L56 T74 F75 | V5-L44 HydrophobicContact CG1-CD2 3.72Å; L26-L44 HydrophobicContact CB-CD1 4.09Å; L26-L44 HydrophobicContact CD2-CD1 3.73Å; L26-L44 HydrophobicContact CG-CD1 3.59Å; L27-L44 HydrophobicContact CB-CD1 4.22Å; L27-L44 HydrophobicContact CB-CG 4.48Å; L27-L44 HydrophobicContact CD1-CG 4.21Å; V30-L44 HydrophobicContact CG2-CD2 4.43Å; L44-L56 HydrophobicContact CB-CB 4.14Å; L44-L56 HydrophobicContact CB-CD2 4Å; L44-L56 HydrophobicContact CD1-CD2 4.03Å; L44-L56 VanDerWaalsContact O-CB 3.32Å; L44-L56 WeakPolarHBondContact O-CB 3.38Å; L44-L56 PolarHBondContact O-N 2.86Å; L44-T74 WeakPolarHBondContact CA-O 3.32Å; L44-F75 HydrophobicContact CD2-CB 4.26Å; L44-F75 HydrophobicContact CD2-CD2 4.15Å |
| 45 | A | 94.9 | Very high | 90.1 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 151.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K53 W55 F73 T74 | A45-K53 HydrophobicContact CB-CB 4.16Å; A45-K53 HydrophobicContact CB-CD 4.02Å; A45-K53 HydrophobicContact CB-CG 4.45Å; A45-W55 HydrophobicContact CB-CE3 3.95Å; A45-W55 HydrophobicContact CB-CZ3 4.05Å; A45-F73 CarbonylContact O-C 3.45Å; A45-F73 WeakPolarHBondContact O-CA 3.34Å; A45-T74 PolarHBondContact N-O 3.4Å; A45-T74 PolarHBondContact O-N 2.88Å |
| 46 | L | 92.4 | Very high | 90.1 | Very high | 35 Ų | 35 | 40.6 Ų | 40.6 | 18% | 0.183 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 137.5 | 169.5 | -66.1 | 138.6 | 0 | 0 | 0 | 107.6 | K53 T54 L56 V66 N72 F73 | L46-K53 CarbonylContact O-C 3.57Å; L46-K53 VanDerWaalsContact O-CA 3.27Å; L46-K53 WeakPolarHBondContact O-CA 3.5Å; L46-T54 PolarHBondContact N-O 2.97Å; L46-T54 PolarHBondContact O-N 2.95Å; L46-L56 HydrophobicContact CD1-CD1 4.48Å; L46-V66 HydrophobicContact CD1-CG2 3.92Å; L46-V66 HydrophobicContact CD2-CG1 4.1Å; L46-V66 HydrophobicContact CD2-CG2 3.85Å; L46-V66 HydrophobicContact CG-CG2 4.5Å; L46-N72 WeakPolarHBondContact CD2-O 3.33Å; L46-F73 HydrophobicContact CD1-CE1 4.28Å; L46-F73 HydrophobicContact CD2-CD1 3.97Å; L46-F73 HydrophobicContact CD2-CE1 3.88Å; L46-F73 HydrophobicContact CG-CD1 3.97Å; L46-F73 HydrophobicContact CG-CE1 4.09Å |
| 47 | W | 86.4 | Confident | 89.9 | Confident | 100 Ų | 100 | 41 Ų | 41 | 38% | 0.379 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 113.4 | 178.6 | -66.1 | 75.9 | 0 | 0 | 0 | 110.2 | K53 T74 | W47-K53 HydrophobicContact CD2-CB 3.89Å; W47-K53 HydrophobicContact CE3-CB 4.09Å; W47-K53 HydrophobicContact CG-CB 4.36Å; W47-K53 HydrophobicContact CH2-CB 4.43Å; W47-K53 HydrophobicContact CH2-CD 4.27Å; W47-K53 HydrophobicContact CZ2-CB 4.23Å; W47-K53 HydrophobicContact CZ2-CD 3.98Å; W47-K53 HydrophobicContact CZ3-CB 4.36Å; W47-T74 VanDerWaalsContact NE1-CG2 3.34Å; W47-T74 PolarHBondContact NE1-OG1 3.04Å |
| 48 | D | 79.9 | Confident | 89.8 | Confident | 108 Ų | 108 | 38.8 Ų | 38.8 | 58% | 0.578 | 23% | 0.225 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -28.1 | 173.4 | -51.3 | -69.4 | 0 | 0 | 0 | 111.1 | S52 T54 | D48-S52 PolarHBondContact N-O 2.94Å; D48-S52 PolarHBondContact OD2-OG 3.03Å; D48-T54 WeakPolarHBondContact OD2-CB 3.49Å; D48-T54 PolarHBondContact OD2-OG1 2.95Å |
| 49 | S | 78.9 | Confident | 89.5 | Confident | 60 Ų | 60 | 41.5 Ų | 41.5 | 42% | 0.42 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 171.1 | 173.1 | 75.3 | 0 | 0 | 0 | 0 | 109.5 | T51 S52 | S49-T51 PolarHBondContact O-N 2.94Å; S49-T51 PolarHBondContact OG-N 3.08Å; S49-S52 PolarHBondContact N-O 3.46Å; S49-S52 PolarHBondContact O-N 2.9Å; S49-S52 VanDerWaalsContact O-N 3.1Å; S49-S52 PolarHBondContact OG-N 3.32Å |
| 50 | A | 74.8 | Confident | 89.4 | Confident | 93 Ų | 93 | 44.1 Ų | 44.1 | 77% | 0.769 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.5 | -14.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 51 | T | 71.6 | Confident | 89.3 | Confident | 135 Ų | 135 | 45.4 Ų | 45.4 | 83% | 0.828 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.3 | -3 | 176.6 | 55.7 | 0 | 0 | 0 | 0 | 114.4 | S49 | S49-T51 PolarHBondContact O-N 2.94Å; S49-T51 PolarHBondContact OG-N 3.08Å |
| 52 | S | 80.7 | Confident | 89.2 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 23% | 0.231 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 103.6 | 174.6 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | D48 S49 K266 | D48-S52 PolarHBondContact N-O 2.94Å; D48-S52 PolarHBondContact OD2-OG 3.03Å; S49-S52 PolarHBondContact N-O 3.46Å; S49-S52 PolarHBondContact O-N 2.9Å; S49-S52 VanDerWaalsContact O-N 3.1Å; S49-S52 PolarHBondContact OG-N 3.32Å; S52-K266 PolarHBondContact OG-NZ 3.46Å |
| 53 | K | 88.9 | Confident | 89 | Confident | 33 Ų | 33 | 50.5 Ų | 50.5 | 14% | 0.143 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 145.4 | 162.4 | 71.1 | 179.2 | -179.8 | 176.8 | 0 | 112 | A45 L46 W47 W55 K266 | A45-K53 HydrophobicContact CB-CB 4.16Å; A45-K53 HydrophobicContact CB-CD 4.02Å; A45-K53 HydrophobicContact CB-CG 4.45Å; L46-K53 CarbonylContact O-C 3.57Å; L46-K53 VanDerWaalsContact O-CA 3.27Å; L46-K53 WeakPolarHBondContact O-CA 3.5Å; W47-K53 HydrophobicContact CD2-CB 3.89Å; W47-K53 HydrophobicContact CE3-CB 4.09Å; W47-K53 HydrophobicContact CG-CB 4.36Å; W47-K53 HydrophobicContact CH2-CB 4.43Å; W47-K53 HydrophobicContact CH2-CD 4.27Å; W47-K53 HydrophobicContact CZ2-CB 4.23Å; W47-K53 HydrophobicContact CZ2-CD 3.98Å; W47-K53 HydrophobicContact CZ3-CB 4.36Å; K53-W55 HydrophobicContact CD-CZ2 4.43Å; K53-K266 WeakPolarHBondContact O-CE 3.44Å; K53-K266 PolarHBondContact O-NZ 2.9Å |
| 54 | T | 90.7 | Very high | 88.7 | Confident | 53 Ų | 53 | 57.6 Ų | 57.6 | 33% | 0.325 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 122.2 | 174 | -73.2 | 0 | 0 | 0 | 0 | 108.9 | L46 D48 | L46-T54 PolarHBondContact N-O 2.97Å; L46-T54 PolarHBondContact O-N 2.95Å; D48-T54 WeakPolarHBondContact OD2-CB 3.49Å; D48-T54 PolarHBondContact OD2-OG1 2.95Å |
| 55 | W | 93.3 | Very high | 88.5 | Confident | 35 Ų | 35 | 60.2 Ų | 60.2 | 13% | 0.133 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 137.2 | -179 | -65.5 | 114.2 | 0 | 0 | 0 | 112.4 | A45 K53 N76 V77 K78 | A45-W55 HydrophobicContact CB-CE3 3.95Å; A45-W55 HydrophobicContact CB-CZ3 4.05Å; K53-W55 HydrophobicContact CD-CZ2 4.43Å; W55-N76 HydrophobicContact CH2-CB 3.78Å; W55-N76 HydrophobicContact CZ3-CB 4.03Å; W55-V77 VanDerWaalsContact CH2-O 3.31Å; W55-V77 WeakPolarHBondContact CH2-O 3.44Å; W55-K78 HydrophobicContact CD2-CD 4.19Å; W55-K78 HydrophobicContact CD2-CG 4.18Å; W55-K78 HydrophobicContact CE3-CD 4.33Å; W55-K78 HydrophobicContact CE3-CG 4.41Å; W55-K78 HydrophobicContact CH2-CB 3.7Å; W55-K78 HydrophobicContact CH2-CG 4.12Å; W55-K78 HydrophobicContact CZ2-CB 3.9Å; W55-K78 HydrophobicContact CZ2-CG 3.87Å; W55-K78 HydrophobicContact CZ3-CB 4.03Å; W55-K78 HydrophobicContact CZ3-CG 4.39Å |
| 56 | L | 94 | Very high | 88.2 | Confident | 8 Ų | 8 | 61 Ų | 61 | 4% | 0.042 | 33% | 0.332 | C | S | . | . | trans | -67.2 | 128.7 | 169.7 | -170.8 | 65.5 | 0 | 0 | 0 | 109.6 | L44 L46 S58 I62 Q65 F73 | L44-L56 HydrophobicContact CB-CB 4.14Å; L44-L56 HydrophobicContact CB-CD2 4Å; L44-L56 HydrophobicContact CD1-CD2 4.03Å; L44-L56 VanDerWaalsContact O-CB 3.32Å; L44-L56 WeakPolarHBondContact O-CB 3.38Å; L44-L56 PolarHBondContact O-N 2.86Å; L46-L56 HydrophobicContact CD1-CD1 4.48Å; L56-S58 PolarHBondContact O-N 3.49Å; L56-I62 HydrophobicContact CD2-CG1 4.43Å; L56-Q65 HydrophobicContact CD1-CB 4.17Å; L56-Q65 HydrophobicContact CD1-CG 4.48Å; L56-F73 HydrophobicContact CD1-CE1 4.06Å; L56-F73 HydrophobicContact CD2-CD1 4.34Å; L56-F73 HydrophobicContact CD2-CE1 3.96Å; L56-F73 HydrophobicContact CD2-CZ 4.49Å | ||
| 57 | D | 91.7 | Very high | 87.8 | Confident | 16 Ų | 16 | 71 Ų | 71 | 9% | 0.086 | 37% | 0.367 | C | S | . | . | trans | -82.3 | 100.9 | -178.7 | -164.3 | -66.4 | 0 | 0 | 0 | 108.6 | A59 K60 Q65 K269 | D57-A59 PolarHBondContact O-N 2.88Å; D57-K60 HydrophobicContact CB-CB 4.42Å; D57-K60 HydrophobicContact CB-CD 4.11Å; D57-K60 HydrophobicContact CB-CG 4.43Å; D57-K60 PolarHBondContact O-N 2.85Å; D57-K60 IonicContact OD1-NZ 2.91Å; D57-K60 PolarHBondContact OD1-NZ 2.88Å; D57-K60 IonicContact OD2-NZ 2.99Å; D57-K60 PolarHBondContact OD2-NZ 2.99Å; D57-Q65 PolarHBondContact O-NE2 3.18Å; D57-K269 IonicContact OD2-NZ 3.23Å; D57-K269 PolarHBondContact OD2-NZ 2.82Å | ||
| 58 | S | 91.5 | Very high | 87.5 | Confident | 32 Ų | 32 | 69.1 Ų | 69.1 | 22% | 0.224 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -33.5 | -170.6 | -61 | 0 | 0 | 0 | 0 | 114.5 | K22 G23 Q24 L56 K60 | K22-S58 WeakPolarHBondContact CB-O 3.47Å; G23-S58 PolarHBondContact N-O 3.1Å; Q24-S58 PolarHBondContact N-O 3.16Å; Q24-S58 VanDerWaalsContact OE1-CB 3.24Å; Q24-S58 PolarHBondContact OE1-OG 3Å; L56-S58 PolarHBondContact O-N 3.49Å; S58-K60 VanDerWaalsContact C-N 3.31Å; S58-K60 PolarHBondContact O-N 2.9Å |
| 59 | A | 90.1 | Very high | 87.3 | Confident | 57 Ų | 57 | 68.9 Ų | 68.9 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -7.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | D57 | D57-A59 PolarHBondContact O-N 2.88Š|
| 60 | K | 92.4 | Very high | 87.5 | Confident | 91 Ų | 91 | 69.3 Ų | 69.3 | 40% | 0.396 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -113.8 | 146 | -173.3 | -68.3 | 178.8 | -174.2 | 68.8 | 0 | 112.8 | K22 G23 D57 S58 I62 Q65 | K22-K60 CarbonylContact C-O 3.56Å; K22-K60 VanDerWaalsContact CA-O 3.27Å; K22-K60 WeakPolarHBondContact CA-O 3.4Å; G23-K60 PolarHBondContact N-O 2.84Å; D57-K60 HydrophobicContact CB-CB 4.42Å; D57-K60 HydrophobicContact CB-CD 4.11Å; D57-K60 HydrophobicContact CB-CG 4.43Å; D57-K60 PolarHBondContact O-N 2.85Å; D57-K60 IonicContact OD1-NZ 2.91Å; D57-K60 PolarHBondContact OD1-NZ 2.88Å; D57-K60 IonicContact OD2-NZ 2.99Å; D57-K60 PolarHBondContact OD2-NZ 2.99Å; S58-K60 VanDerWaalsContact C-N 3.31Å; S58-K60 PolarHBondContact O-N 2.9Å; K60-I62 PolarHBondContact O-N 3.21Å; K60-Q65 HydrophobicContact CB-CG 4.34Å; K60-Q65 PolarHBondContact O-NE2 3.15Å; K60-Q65 VanDerWaalsContact O-NE2 3.08Å |
| 61 | E | 94.6 | Very high | 88.3 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 21% | 0.206 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -49.4 | 129.8 | 169.1 | -76.9 | 161.5 | -96.5 | 0 | 0 | 111.8 | H20 A21 K63 K64 | H20-E61 HydrophobicContact CB-CG 4.41Å; H20-E61 IonicContact CE1-OE2 2.65Å; H20-E61 IonicContact CG-OE2 3.4Å; H20-E61 IonicContact ND1-OE2 2.64Å; H20-E61 PolarHBondContact ND1-OE2 2.96Å; H20-E61 WeakPolarHBondContact O-CG 3.49Å; A21-E61 CarbonylContact O-C 3.5Å; A21-E61 WeakPolarHBondContact O-CA 3.4Å; E61-K63 VanDerWaalsContact C-N 3.29Å; E61-K63 PolarHBondContact O-N 3.38Å; E61-K64 HydrophobicContact CB-CB 4.35Å; E61-K64 HydrophobicContact CB-CD 4.1Å; E61-K64 HydrophobicContact CB-CG 4.06Å; E61-K64 VanDerWaalsContact CD-CE 3.49Å; E61-K64 PolarHBondContact O-N 2.86Å; E61-K64 WeakPolarHBondContact OE1-CE 3.5Å; E61-K64 IonicContact OE1-NZ 2.98Å; E61-K64 PolarHBondContact OE1-NZ 3.01Å; E61-K64 VanDerWaalsContact OE2-CE 3.27Å; E61-K64 WeakPolarHBondContact OE2-CE 3.35Å; E61-K64 IonicContact OE2-NZ 2.69Å; E61-K64 PolarHBondContact OE2-NZ 2.96Å |
| 62 | I | 94.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -60.7 | -40.4 | -178 | -60.8 | 167.1 | 0 | 0 | 0 | 110.8 | V17 A21 K22 L26 L56 K60 K64 Q65 V66 W71 F73 | V17-I62 HydrophobicContact CG2-CD1 4.31Å; A21-I62 HydrophobicContact CB-CD1 4.39Å; A21-I62 WeakPolarHBondContact O-CG1 3.39Å; A21-I62 PolarHBondContact O-N 3.31Å; K22-I62 WeakPolarHBondContact O-CD1 3.4Å; L26-I62 HydrophobicContact CB-CD1 3.74Å; L26-I62 HydrophobicContact CD2-CD1 3.98Å; L56-I62 HydrophobicContact CD2-CG1 4.43Å; K60-I62 PolarHBondContact O-N 3.21Å; I62-K64 PolarHBondContact O-N 3.13Å; I62-K64 VanDerWaalsContact O-N 3.1Å; I62-Q65 PolarHBondContact O-N 3.45Å; I62-V66 HydrophobicContact CG2-CG2 3.93Å; I62-V66 PolarHBondContact O-N 2.73Å; I62-W71 HydrophobicContact CB-CE3 4.14Å; I62-W71 HydrophobicContact CB-CH2 4.32Å; I62-W71 HydrophobicContact CB-CZ3 3.8Å; I62-W71 HydrophobicContact CG2-CD2 3.9Å; I62-W71 HydrophobicContact CG2-CE3 3.4Å; I62-W71 VanDerWaalsContact CG2-CE3 3.4Å; I62-W71 HydrophobicContact CG2-CH2 4.23Å; I62-W71 HydrophobicContact CG2-CZ3 3.6Å; I62-F73 HydrophobicContact CG2-CE1 4.44Å; I62-F73 HydrophobicContact CG2-CZ 3.65Å |
| 63 | K | 92.9 | Very high | 90.1 | Very high | 117 Ų | 117 | 61.7 Ų | 61.7 | 51% | 0.509 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -57.8 | -24.9 | 176.2 | -172.3 | 173.4 | 177.6 | -176.8 | 0 | 113.8 | E61 Q65 W71 | E61-K63 VanDerWaalsContact C-N 3.29Å; E61-K63 PolarHBondContact O-N 3.38Å; K63-Q65 VanDerWaalsContact C-N 3.3Å; K63-W71 HydrophobicContact CB-CH2 3.77Å; K63-W71 HydrophobicContact CB-CZ2 3.82Å; K63-W71 HydrophobicContact CG-CZ2 4.16Å |
| 64 | K | 92.4 | Very high | 90.5 | Very high | 155 Ų | 155 | 61.5 Ų | 61.5 | 67% | 0.674 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -87.9 | -0.8 | 179.1 | -64 | -178.7 | 179.3 | 168.4 | 0 | 112.7 | E61 I62 | E61-K64 HydrophobicContact CB-CB 4.35Å; E61-K64 HydrophobicContact CB-CD 4.1Å; E61-K64 HydrophobicContact CB-CG 4.06Å; E61-K64 VanDerWaalsContact CD-CE 3.49Å; E61-K64 PolarHBondContact O-N 2.86Å; E61-K64 WeakPolarHBondContact OE1-CE 3.5Å; E61-K64 IonicContact OE1-NZ 2.98Å; E61-K64 PolarHBondContact OE1-NZ 3.01Å; E61-K64 VanDerWaalsContact OE2-CE 3.27Å; E61-K64 WeakPolarHBondContact OE2-CE 3.35Å; E61-K64 IonicContact OE2-NZ 2.69Å; E61-K64 PolarHBondContact OE2-NZ 2.96Å; I62-K64 PolarHBondContact O-N 3.13Å; I62-K64 VanDerWaalsContact O-N 3.1Å |
| 65 | Q | 91.2 | Very high | 90.8 | Very high | 59 Ų | 59 | 59 Ų | 59 | 28% | 0.276 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -118.8 | -40.9 | -177.7 | -55.5 | -171.2 | 70.9 | 0 | 0 | 112.1 | L56 D57 K60 I62 K63 | L56-Q65 HydrophobicContact CD1-CB 4.17Å; L56-Q65 HydrophobicContact CD1-CG 4.48Å; D57-Q65 PolarHBondContact O-NE2 3.18Å; K60-Q65 HydrophobicContact CB-CG 4.34Å; K60-Q65 PolarHBondContact O-NE2 3.15Å; K60-Q65 VanDerWaalsContact O-NE2 3.08Å; I62-Q65 PolarHBondContact O-N 3.45Å; K63-Q65 VanDerWaalsContact C-N 3.3Å |
| 66 | V | 89.4 | Confident | 91 | Very high | 18 Ų | 18 | 57.5 Ų | 57.5 | 11% | 0.109 | 30% | 0.302 | C | S | . | . | trans | -102.1 | 145.2 | -175.5 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | L46 I62 W71 F73 | L46-V66 HydrophobicContact CD1-CG2 3.92Å; L46-V66 HydrophobicContact CD2-CG1 4.1Å; L46-V66 HydrophobicContact CD2-CG2 3.85Å; L46-V66 HydrophobicContact CG-CG2 4.5Å; I62-V66 HydrophobicContact CG2-CG2 3.93Å; I62-V66 PolarHBondContact O-N 2.73Å; V66-W71 HydrophobicContact CB-CG 4.37Å; V66-W71 HydrophobicContact CG1-CB 4.33Å; V66-W71 HydrophobicContact CG1-CG 4Å; V66-F73 HydrophobicContact CG2-CE1 3.72Å; V66-F73 HydrophobicContact CG2-CZ 3.85Å | ||
| 67 | R | 83.8 | Confident | 91.2 | Very high | 244 Ų | 244 | 57.2 Ų | 57.2 | 92% | 0.921 | 30% | 0.3 | S | S | * | . | trans | -113.9 | 153 | 173.8 | -64.8 | -177.9 | 175.4 | -161.7 | -4.3 | 110.2 | ||||
| 68 | G | 79.9 | Confident | 91.4 | Very high | 61 Ų | 61 | 57.3 Ų | 57.3 | 63% | 0.629 | 30% | 0.3 | S | S | * | . | S | Bend | trans | 75.3 | -175.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | W71 | G68-W71 PolarHBondContact O-NE1 2.85Š|
| 69 | V | 76.8 | Confident | 91.7 | Very high | 102 Ų | 102 | 55.8 Ų | 55.8 | 62% | 0.618 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -149.4 | 151.8 | 169.6 | -75.2 | 0 | 0 | 0 | 0 | 108.7 | M1 | M1-V69 HydrophobicContact CE-CG1 3.66Š|
| 70 | P | 82.9 | Confident | 92.1 | Very high | 70 Ų | 70 | 54.3 Ų | 54.3 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | S | Bend | cis | -63.3 | 160.1 | -8.1 | 29.5 | -36.3 | 0 | 0 | 0 | 112.3 | N72 | P70-N72 PolarHBondContact O-N 2.87Š|
| 71 | W | 91.6 | Very high | 92.3 | Very high | 5 Ų | 5 | 50 Ų | 50 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 105.7 | 175.9 | -65.8 | -21.4 | 0 | 0 | 0 | 109.9 | M1 H2 C3 K4 V17 I62 K63 V66 G68 F73 | M1-W71 HydrophobicContact CB-CE3 3.94Å; M1-W71 HydrophobicContact CB-CH2 3.77Å; M1-W71 HydrophobicContact CB-CZ2 4.41Å; M1-W71 HydrophobicContact CB-CZ3 3.5Å; M1-W71 HydrophobicContact CE-CH2 3.94Å; M1-W71 HydrophobicContact CE-CZ2 3.53Å; M1-W71 HydrophobicContact CG-CH2 3.6Å; M1-W71 HydrophobicContact CG-CZ2 4.22Å; M1-W71 HydrophobicContact CG-CZ3 3.86Å; H2-W71 PolarHBondContact O-N 2.63Å; C3-W71 WeakPolarHBondContact CA-O 3.19Å; K4-W71 PolarHBondContact N-O 2.87Å; V17-W71 HydrophobicContact CG2-CE3 4.3Å; V17-W71 HydrophobicContact CG2-CZ3 3.95Å; I62-W71 HydrophobicContact CB-CE3 4.14Å; I62-W71 HydrophobicContact CB-CH2 4.32Å; I62-W71 HydrophobicContact CB-CZ3 3.8Å; I62-W71 HydrophobicContact CG2-CD2 3.9Å; I62-W71 HydrophobicContact CG2-CE3 3.4Å; I62-W71 VanDerWaalsContact CG2-CE3 3.4Å; I62-W71 HydrophobicContact CG2-CH2 4.23Å; I62-W71 HydrophobicContact CG2-CZ3 3.6Å; K63-W71 HydrophobicContact CB-CH2 3.77Å; K63-W71 HydrophobicContact CB-CZ2 3.82Å; K63-W71 HydrophobicContact CG-CZ2 4.16Å; V66-W71 HydrophobicContact CB-CG 4.37Å; V66-W71 HydrophobicContact CG1-CB 4.33Å; V66-W71 HydrophobicContact CG1-CG 4Å; G68-W71 PolarHBondContact O-NE1 2.85Å; W71-F73 HydrophobicContact CB-CE2 3.56Å; W71-F73 HydrophobicContact CB-CZ 3.82Å; W71-F73 WeakPolarHBondContact O-CD2 3.42Å; W71-F73 WeakPolarHBondContact O-CE2 3.45Å |
| 72 | N | 93.3 | Very high | 92.4 | Very high | 90 Ų | 90 | 51.1 Ų | 51.1 | 48% | 0.481 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 132.8 | -178.6 | -58.9 | -30.2 | 0 | 0 | 0 | 110.7 | K4 L46 P70 | K4-N72 CarbonylContact O-C 3.51Å; K4-N72 WeakPolarHBondContact O-CA 3.47Å; L46-N72 WeakPolarHBondContact CD2-O 3.33Å; P70-N72 PolarHBondContact O-N 2.87Å |
| 73 | F | 96 | Very high | 92.4 | Very high | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 162.9 | 177.6 | -53.5 | -83.7 | 0 | 0 | 0 | 111 | C3 K4 V5 S6 L26 A45 L46 L56 I62 V66 W71 | C3-F73 HydrophobicContact CB-CE2 4.41Å; K4-F73 PolarHBondContact O-N 2.94Å; V5-F73 WeakPolarHBondContact CA-O 3.41Å; V5-F73 HydrophobicContact CG2-CB 4.36Å; V5-F73 HydrophobicContact CG2-CD2 4.31Å; S6-F73 PolarHBondContact N-O 2.82Å; L26-F73 HydrophobicContact CD2-CD2 3.69Å; L26-F73 HydrophobicContact CD2-CE2 3.44Å; L26-F73 VanDerWaalsContact CD2-CE2 3.44Å; L26-F73 HydrophobicContact CD2-CG 4.44Å; L26-F73 HydrophobicContact CD2-CZ 4.04Å; A45-F73 CarbonylContact O-C 3.45Å; A45-F73 WeakPolarHBondContact O-CA 3.34Å; L46-F73 HydrophobicContact CD1-CE1 4.28Å; L46-F73 HydrophobicContact CD2-CD1 3.97Å; L46-F73 HydrophobicContact CD2-CE1 3.88Å; L46-F73 HydrophobicContact CG-CD1 3.97Å; L46-F73 HydrophobicContact CG-CE1 4.09Å; L56-F73 HydrophobicContact CD1-CE1 4.06Å; L56-F73 HydrophobicContact CD2-CD1 4.34Å; L56-F73 HydrophobicContact CD2-CE1 3.96Å; L56-F73 HydrophobicContact CD2-CZ 4.49Å; I62-F73 HydrophobicContact CG2-CE1 4.44Å; I62-F73 HydrophobicContact CG2-CZ 3.65Å; V66-F73 HydrophobicContact CG2-CE1 3.72Å; V66-F73 HydrophobicContact CG2-CZ 3.85Å; W71-F73 HydrophobicContact CB-CE2 3.56Å; W71-F73 HydrophobicContact CB-CZ 3.82Å; W71-F73 WeakPolarHBondContact O-CD2 3.42Å; W71-F73 WeakPolarHBondContact O-CE2 3.45Å |
| 74 | T | 96.6 | Very high | 92.5 | Very high | 28 Ų | 28 | 47.5 Ų | 47.5 | 17% | 0.172 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 140.1 | 162 | 60.4 | 0 | 0 | 0 | 0 | 110.2 | S6 L44 A45 W47 N76 | S6-T74 WeakPolarHBondContact O-CA 3.34Å; L44-T74 WeakPolarHBondContact CA-O 3.32Å; A45-T74 PolarHBondContact N-O 3.4Å; A45-T74 PolarHBondContact O-N 2.88Å; W47-T74 VanDerWaalsContact NE1-CG2 3.34Å; W47-T74 PolarHBondContact NE1-OG1 3.04Å; T74-N76 WeakPolarHBondContact CB-OD1 3.46Å; T74-N76 PolarHBondContact OG1-OD1 2.98Å |
| 75 | F | 98.1 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 0% | 0.004 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 131 | 166.9 | -177.2 | -103.4 | 0 | 0 | 0 | 109.1 | V5 S6 L7 L8 L27 V30 L34 L36 F42 L44 | V5-F75 HydrophobicContact CG1-CB 4.06Å; S6-F75 PolarHBondContact O-N 3.26Å; L7-F75 HydrophobicContact CD2-CB 3.99Å; L7-F75 HydrophobicContact CD2-CG 4.46Å; L8-F75 HydrophobicContact CD1-CD1 3.85Å; L8-F75 HydrophobicContact CD1-CE1 4.05Å; L8-F75 WeakPolarHBondContact CD2-O 3.22Å; L8-F75 HydrophobicContact CG-CD1 4.1Å; L27-F75 HydrophobicContact CD1-CD2 4.29Å; L27-F75 HydrophobicContact CD1-CE2 3.95Å; V30-F75 HydrophobicContact CG1-CB 4.45Å; V30-F75 HydrophobicContact CG1-CD2 3.61Å; V30-F75 HydrophobicContact CG1-CE2 3.98Å; V30-F75 HydrophobicContact CG1-CG 4.08Å; L34-F75 HydrophobicContact CD1-CD1 3.83Å; L34-F75 HydrophobicContact CD1-CE1 3.49Å; L34-F75 VanDerWaalsContact CD1-CE1 3.49Å; L34-F75 HydrophobicContact CD1-CE2 4.23Å; L34-F75 HydrophobicContact CD1-CG 4.33Å; L34-F75 HydrophobicContact CD1-CZ 3.7Å; L36-F75 HydrophobicContact CD2-CZ 3.87Å; F42-F75 HydrophobicContact CB-CE1 4.37Å; F42-F75 HydrophobicContact CB-CE2 3.68Å; F42-F75 HydrophobicContact CB-CZ 3.53Å; F42-F75 HydrophobicContact CD1-CD1 4.41Å; F42-F75 AromaticContact CD1-CE1 3.47Å; F42-F75 HydrophobicContact CD1-CE1 3.47Å; F42-F75 VanDerWaalsContact CD1-CE1 3.47Å; F42-F75 HydrophobicContact CD1-CE2 4.34Å; F42-F75 AromaticContact CD1-CZ 3.44Å; F42-F75 HydrophobicContact CD1-CZ 3.44Å; F42-F75 VanDerWaalsContact CD1-CZ 3.44Å; F42-F75 HydrophobicContact CD2-CZ 4.35Å; F42-F75 AromaticContact CE1-CE1 3.99Å; F42-F75 HydrophobicContact CE1-CE1 3.99Å; F42-F75 HydrophobicContact CE1-CZ 4.23Å; F42-F75 HydrophobicContact CG-CE1 4.06Å; F42-F75 HydrophobicContact CG-CE2 4.19Å; F42-F75 AromaticContact CG-CZ 3.51Å; F42-F75 HydrophobicContact CG-CZ 3.51Å; L44-F75 HydrophobicContact CD2-CB 4.26Å; L44-F75 HydrophobicContact CD2-CD2 4.15Å |
| 76 | N | 97.6 | Very high | 92.6 | Very high | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.9 | 156.6 | -175.5 | -68.4 | 117.1 | 0 | 0 | 0 | 111.8 | F42 G43 W55 T74 K78 Q99 | F42-N76 CarbonylContact C-O 3.59Å; F42-N76 WeakPolarHBondContact CA-O 3.27Å; G43-N76 PolarHBondContact N-O 3.08Å; G43-N76 PolarHBondContact O-N 2.95Å; W55-N76 HydrophobicContact CH2-CB 3.78Å; W55-N76 HydrophobicContact CZ3-CB 4.03Å; T74-N76 WeakPolarHBondContact CB-OD1 3.46Å; T74-N76 PolarHBondContact OG1-OD1 2.98Å; N76-K78 PolarHBondContact O-N 3Å; N76-Q99 VanDerWaalsContact CB-OE1 3.26Å; N76-Q99 PolarHBondContact ND2-OE1 3.04Å |
| 77 | V | 97.9 | Very high | 92.9 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 128.2 | 163.8 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | F42 W55 Y80 L96 Q99 | F42-V77 HydrophobicContact CD1-CG2 4.01Å; F42-V77 HydrophobicContact CE1-CG2 3.62Å; F42-V77 HydrophobicContact CZ-CG2 4.36Å; W55-V77 VanDerWaalsContact CH2-O 3.31Å; W55-V77 WeakPolarHBondContact CH2-O 3.44Å; V77-Y80 HydrophobicContact CB-CE1 4.09Å; V77-Y80 HydrophobicContact CB-CE2 4.23Å; V77-Y80 HydrophobicContact CG1-CD1 3.96Å; V77-Y80 HydrophobicContact CG1-CD2 3.97Å; V77-Y80 HydrophobicContact CG1-CE1 4.04Å; V77-Y80 HydrophobicContact CG1-CE2 4.01Å; V77-Y80 HydrophobicContact CG1-CG 3.95Å; V77-L96 HydrophobicContact CG1-CD1 4.1Å; V77-L96 HydrophobicContact CG2-CD1 3.87Å; V77-Q99 HydrophobicContact CB-CB 4.4Å; V77-Q99 HydrophobicContact CB-CG 3.92Å; V77-Q99 HydrophobicContact CG2-CB 3.67Å; V77-Q99 HydrophobicContact CG2-CG 3.75Å |
| 78 | K | 96.6 | Very high | 93.4 | Very high | 18 Ų | 18 | 35.4 Ų | 35.4 | 8% | 0.078 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -99.7 | -37.1 | 177 | -177.4 | 173.7 | 179.7 | 179.8 | 0 | 111.9 | Y41 W55 N76 E273 | Y41-K78 PolarHBondContact O-N 3.4Å; W55-K78 HydrophobicContact CD2-CD 4.19Å; W55-K78 HydrophobicContact CD2-CG 4.18Å; W55-K78 HydrophobicContact CE3-CD 4.33Å; W55-K78 HydrophobicContact CE3-CG 4.41Å; W55-K78 HydrophobicContact CH2-CB 3.7Å; W55-K78 HydrophobicContact CH2-CG 4.12Å; W55-K78 HydrophobicContact CZ2-CB 3.9Å; W55-K78 HydrophobicContact CZ2-CG 3.87Å; W55-K78 HydrophobicContact CZ3-CB 4.03Å; W55-K78 HydrophobicContact CZ3-CG 4.39Å; N76-K78 PolarHBondContact O-N 3Å; K78-E273 VanDerWaalsContact CE-OE2 3.22Å; K78-E273 WeakPolarHBondContact CE-OE2 3.24Å; K78-E273 IonicContact NZ-OE1 2.65Å; K78-E273 PolarHBondContact NZ-OE1 3.06Å; K78-E273 IonicContact NZ-OE2 2.67Å; K78-E273 PolarHBondContact NZ-OE2 3.31Å; K78-E273 VanDerWaalsContact NZ-OE2 3.08Å |
| 79 | F | 97.6 | Very high | 94 | Very high | 1 Ų | 1 | 33 Ų | 33 | 0% | 0.004 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -127.3 | 109.7 | 179.5 | -57.6 | -60.5 | 0 | 0 | 0 | 109.5 | D40 Y41 P81 E273 H274 F277 F278 Y300 | D40-F79 VanDerWaalsContact O-CD2 3.29Å; D40-F79 WeakPolarHBondContact O-CD2 3.48Å; Y41-F79 WeakPolarHBondContact CD1-O 3.2Å; Y41-F79 PolarHBondContact O-N 2.83Å; F79-P81 WeakPolarHBondContact O-CD 3.48Å; F79-E273 HydrophobicContact CE1-CB 4.05Å; F79-E273 HydrophobicContact CZ-CB 4Å; F79-H274 AromaticContact CD1-CE1 3.9Å; F79-H274 AromaticContact CD1-NE2 3.89Å; F79-H274 AromaticContact CE1-CE1 4Å; F79-H274 AromaticContact CE1-ND1 3.88Å; F79-F277 HydrophobicContact CB-CD1 3.6Å; F79-F277 HydrophobicContact CB-CE1 3.53Å; F79-F277 HydrophobicContact CB-CG 4.33Å; F79-F277 HydrophobicContact CB-CZ 4.23Å; F79-F277 HydrophobicContact CD1-CB 4.21Å; F79-F277 HydrophobicContact CD1-CD1 4.1Å; F79-F277 HydrophobicContact CD1-CG 4.22Å; F79-F277 HydrophobicContact CD2-CB 4.26Å; F79-F277 AromaticContact CD2-CD1 3.79Å; F79-F277 HydrophobicContact CD2-CD1 3.79Å; F79-F277 AromaticContact CD2-CD2 3.76Å; F79-F277 HydrophobicContact CD2-CD2 3.76Å; F79-F277 HydrophobicContact CD2-CE1 4.02Å; F79-F277 HydrophobicContact CD2-CE2 4.01Å; F79-F277 AromaticContact CD2-CG 3.65Å; F79-F277 HydrophobicContact CD2-CG 3.65Å; F79-F277 HydrophobicContact CD2-CZ 4.12Å; F79-F277 HydrophobicContact CE1-CB 4.03Å; F79-F277 HydrophobicContact CE1-CG 4.41Å; F79-F277 HydrophobicContact CE2-CB 4.1Å; F79-F277 HydrophobicContact CE2-CD1 4.46Å; F79-F277 AromaticContact CE2-CD2 3.88Å; F79-F277 HydrophobicContact CE2-CD2 3.88Å; F79-F277 HydrophobicContact CE2-CE2 4.45Å; F79-F277 AromaticContact CE2-CG 3.88Å; F79-F277 HydrophobicContact CE2-CG 3.88Å; F79-F277 HydrophobicContact CG-CB 4.31Å; F79-F277 AromaticContact CG-CD1 3.58Å; F79-F277 HydrophobicContact CG-CD1 3.58Å; F79-F277 HydrophobicContact CG-CD2 4.39Å; F79-F277 AromaticContact CG-CE1 3.93Å; F79-F277 HydrophobicContact CG-CE1 3.93Å; F79-F277 AromaticContact CG-CG 3.83Å; F79-F277 HydrophobicContact CG-CG 3.83Å; F79-F277 HydrophobicContact CG-CZ 4.48Å; F79-F277 HydrophobicContact CZ-CB 3.97Å; F79-F277 HydrophobicContact CZ-CG 4.25Å; F79-F278 HydrophobicContact CB-CE2 3.86Å; F79-F278 HydrophobicContact CB-CZ 3.65Å; F79-F278 AromaticContact CD1-CE2 3.99Å; F79-F278 HydrophobicContact CD1-CE2 3.99Å; F79-F278 HydrophobicContact CG-CE2 4.29Å; F79-Y300 AromaticContact CE2-CE2 3.93Å; F79-Y300 HydrophobicContact CE2-CE2 3.93Å; F79-Y300 AromaticContact CZ-CE2 3.82Å; F79-Y300 HydrophobicContact CZ-CE2 3.82Å |
| 80 | Y | 98.1 | Very high | 94.8 | Very high | 25 Ų | 25 | 30.5 Ų | 30.5 | 10% | 0.098 | 18% | 0.175 | C | C | . | . | trans | -80 | 117.3 | 179.9 | -66.9 | -100.7 | 0 | 0 | 0 | 109.6 | V77 L96 Q99 L100 D103 Y187 G188 F278 | V77-Y80 HydrophobicContact CB-CE1 4.09Å; V77-Y80 HydrophobicContact CB-CE2 4.23Å; V77-Y80 HydrophobicContact CG1-CD1 3.96Å; V77-Y80 HydrophobicContact CG1-CD2 3.97Å; V77-Y80 HydrophobicContact CG1-CE1 4.04Å; V77-Y80 HydrophobicContact CG1-CE2 4.01Å; V77-Y80 HydrophobicContact CG1-CG 3.95Å; Y80-L96 HydrophobicContact CD1-CD1 3.77Å; Y80-L96 HydrophobicContact CE1-CD1 4.19Å; Y80-Q99 HydrophobicContact CE1-CG 4.05Å; Y80-Q99 WeakPolarHBondContact OH-CG 3.44Å; Y80-L100 HydrophobicContact CD1-CD2 4.21Å; Y80-L100 HydrophobicContact CE1-CD2 3.98Å; Y80-D103 PolarHBondContact OH-OD2 3.11Å; Y80-Y187 HydrophobicContact CD1-CE2 4.36Å; Y80-G188 VanDerWaalsContact CD2-CA 3.4Å; Y80-G188 VanDerWaalsContact CG-CA 3.43Å; Y80-F278 WeakPolarHBondContact O-CZ 3.44Å | ||
| 81 | P | 96.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.013 | 15% | 0.154 | C | C | . | . | trans | -62.3 | 132.7 | -179.2 | 25.3 | -33.1 | 0 | 0 | 0 | 109.7 | Y41 F79 D83 P84 L87 L96 Y187 | Y41-P81 HydrophobicContact CE1-CB 4.08Å; F79-P81 WeakPolarHBondContact O-CD 3.48Å; P81-D83 PolarHBondContact O-N 2.92Å; P81-P84 HydrophobicContact CG-CB 4.44Å; P81-P84 HydrophobicContact CG-CG 4.34Å; P81-L87 HydrophobicContact CB-CD2 4.43Å; P81-L87 HydrophobicContact CG-CD1 4.23Å; P81-L87 HydrophobicContact CG-CD2 4.21Å; P81-L87 HydrophobicContact CG-CG 4.35Å; P81-L96 HydrophobicContact CG-CD2 3.66Å; P81-Y187 WeakPolarHBondContact O-CE1 3.47Å; P81-Y187 PolarHBondContact O-OH 3.13Å | ||
| 82 | P | 95.8 | Very high | 95.6 | Very high | 66 Ų | 66 | 27.1 Ų | 27.1 | 43% | 0.429 | 15% | 0.153 | S | C | . | . | S | Bend | trans | -66.9 | -21.6 | 176.9 | 28 | -35.1 | 0 | 0 | 0 | 112.3 | ||
| 83 | D | 95.4 | Very high | 95.8 | Very high | 41 Ų | 41 | 24.1 Ų | 24.1 | 22% | 0.219 | 14% | 0.135 | C | C | . | . | trans | -135.2 | 94.8 | 174.3 | -165.3 | 18.7 | 0 | 0 | 0 | 110.5 | P81 A85 Q86 K182 | P81-D83 PolarHBondContact O-N 2.92Å; D83-A85 VanDerWaalsContact C-N 3.25Å; D83-A85 PolarHBondContact O-N 2.76Å; D83-Q86 HydrophobicContact CB-CG 4.25Å; D83-Q86 PolarHBondContact O-N 2.86Å; D83-Q86 WeakPolarHBondContact OD2-CG 3.4Å; D83-Q86 PolarHBondContact OD2-NE2 2.74Å; D83-K182 IonicContact OD1-NZ 3.95Å; D83-K182 PolarHBondContact OD1-NZ 2.99Å | ||
| 84 | P | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.135 | C | C | . | . | G | 310 helix | trans | -67 | -20.9 | -177.6 | -21.8 | 34.9 | 0 | 0 | 0 | 114.5 | P81 Q86 L87 L96 L178 K182 | P81-P84 HydrophobicContact CG-CB 4.44Å; P81-P84 HydrophobicContact CG-CG 4.34Å; P84-Q86 PolarHBondContact O-N 2.76Å; P84-L87 HydrophobicContact CB-CD1 4.47Å; P84-L87 WeakPolarHBondContact O-CB 3.35Å; P84-L87 WeakPolarHBondContact O-CG 3.4Å; P84-L87 PolarHBondContact O-N 2.65Å; P84-L87 VanDerWaalsContact O-N 3.13Å; P84-L96 HydrophobicContact CB-CD2 4.06Å; P84-L96 HydrophobicContact CG-CD2 4.19Å; P84-L178 HydrophobicContact CB-CB 3.88Å; P84-L178 HydrophobicContact CB-CD1 3.96Å; P84-L178 HydrophobicContact CB-CG 4.33Å; P84-L178 HydrophobicContact CG-CB 4.09Å; P84-K182 VanDerWaalsContact CD-CD 3.45Å; P84-K182 HydrophobicContact CG-CB 4.44Å; P84-K182 HydrophobicContact CG-CD 4.34Å |
| 85 | A | 92.9 | Very high | 95.9 | Very high | 52 Ų | 52 | 23.5 Ų | 23.5 | 43% | 0.43 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -61.5 | -19.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | D83 L175 | D83-A85 VanDerWaalsContact C-N 3.25Å; D83-A85 PolarHBondContact O-N 2.76Å; A85-L175 HydrophobicContact CB-CD1 4.19Å |
| 86 | Q | 92.6 | Very high | 95.9 | Very high | 96 Ų | 96 | 23.6 Ų | 23.6 | 45% | 0.449 | 13% | 0.13 | S | C | . | . | G | 310 helix | trans | -94.7 | 15.1 | 177.1 | -58 | -179.4 | 21.1 | 0 | 0 | 113.4 | D83 P84 | D83-Q86 HydrophobicContact CB-CG 4.25Å; D83-Q86 PolarHBondContact O-N 2.86Å; D83-Q86 WeakPolarHBondContact OD2-CG 3.4Å; D83-Q86 PolarHBondContact OD2-NE2 2.74Å; P84-Q86 PolarHBondContact O-N 2.76Å |
| 87 | L | 95.2 | Very high | 95.9 | Very high | 9 Ų | 9 | 23.4 Ų | 23.4 | 5% | 0.047 | 13% | 0.129 | C | C | . | . | trans | -80.3 | 146.7 | 162.2 | -63 | 175.6 | 0 | 0 | 0 | 109.2 | Y41 P81 P84 T92 R93 L96 | Y41-L87 HydrophobicContact CD2-CD2 3.92Å; Y41-L87 HydrophobicContact CE1-CD2 4.33Å; Y41-L87 HydrophobicContact CE2-CD2 3.34Å; P81-L87 HydrophobicContact CB-CD2 4.43Å; P81-L87 HydrophobicContact CG-CD1 4.23Å; P81-L87 HydrophobicContact CG-CD2 4.21Å; P81-L87 HydrophobicContact CG-CG 4.35Å; P84-L87 HydrophobicContact CB-CD1 4.47Å; P84-L87 WeakPolarHBondContact O-CB 3.35Å; P84-L87 WeakPolarHBondContact O-CG 3.4Å; P84-L87 PolarHBondContact O-N 2.65Å; P84-L87 VanDerWaalsContact O-N 3.13Å; L87-T92 HydrophobicContact CD1-CG2 3.88Å; L87-T92 HydrophobicContact CD2-CG2 3.97Å; L87-T92 HydrophobicContact CG-CG2 4.36Å; L87-R93 HydrophobicContact CB-CG 4.5Å; L87-R93 HydrophobicContact CD1-CG 4.13Å; L87-R93 PolarHBondContact O-NH1 3.49Å; L87-L96 HydrophobicContact CD1-CD2 4.13Å | ||
| 88 | T | 93.8 | Very high | 95.9 | Very high | 66 Ų | 66 | 23.8 Ų | 23.8 | 41% | 0.405 | 13% | 0.131 | S | C | . | . | S | Bend | trans | -80.9 | -49.9 | 178.5 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | E38 R93 S312 | E38-T88 PolarHBondContact OE1-N 2.8Å; E38-T88 PolarHBondContact OE2-N 2.89Å; T88-R93 PolarHBondContact O-NH2 2.98Å; T88-S312 VanDerWaalsContact OG1-CB 3.24Å; T88-S312 WeakPolarHBondContact OG1-CB 3.44Å |
| 89 | E | 93.5 | Very high | 95.9 | Very high | 10 Ų | 10 | 23 Ų | 23 | 5% | 0.047 | 13% | 0.128 | C | C | . | . | trans | -98.4 | 140.2 | -166.5 | -42.6 | -162.6 | 106.8 | 0 | 0 | 113.8 | L37 E38 I91 T92 R93 I315 R317 | L37-E89 WeakPolarHBondContact CB-OE2 3.49Å; L37-E89 PolarHBondContact N-OE2 2.64Å; E38-E89 HydrophobicContact CG-CG 4.36Å; E38-E89 PolarHBondContact OE2-N 3.34Å; E89-I91 HydrophobicContact CB-CG2 3.92Å; E89-I91 PolarHBondContact O-N 3.29Å; E89-T92 VanDerWaalsContact O-CB 3.31Å; E89-T92 WeakPolarHBondContact O-CB 3.3Å; E89-T92 PolarHBondContact O-N 3.39Å; E89-T92 VanDerWaalsContact O-N 3.08Å; E89-T92 PolarHBondContact O-OG1 3.23Å; E89-R93 PolarHBondContact O-N 3.2Å; E89-I315 HydrophobicContact CG-CD1 4.1Å; E89-R317 IonicContact OE1-CZ 2.58Å; E89-R317 IonicContact OE1-NE 2.73Å; E89-R317 PolarHBondContact OE1-NE 3.01Å; E89-R317 IonicContact OE1-NH2 3.21Å; E89-R317 PolarHBondContact OE1-NH2 3.1Å; E89-R317 IonicContact OE2-CZ 2.81Å; E89-R317 IonicContact OE2-NH2 2.6Å; E89-R317 PolarHBondContact OE2-NH2 3.47Å | ||
| 90 | D | 93.5 | Very high | 95.9 | Very high | 50 Ų | 50 | 22.9 Ų | 22.9 | 27% | 0.267 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -64 | -27.7 | 175.4 | -66.3 | -44.7 | 0 | 0 | 0 | 112.8 | T92 R93 Y94 | D90-T92 VanDerWaalsContact C-N 3.3Å; D90-T92 PolarHBondContact O-N 3.1Å; D90-R93 WeakPolarHBondContact O-CB 3.33Å; D90-R93 PolarHBondContact O-N 2.94Å; D90-R93 IonicContact OD1-CZ 3.12Å; D90-R93 IonicContact OD1-NE 2.74Å; D90-R93 PolarHBondContact OD1-NE 2.74Å; D90-R93 IonicContact OD1-NH2 2.68Å; D90-R93 PolarHBondContact OD1-NH2 3.21Å; D90-Y94 WeakPolarHBondContact O-CB 3.36Å; D90-Y94 PolarHBondContact O-N 3.27Å |
| 91 | I | 94.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 23.9 Ų | 23.9 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.5 | -32.7 | 174.9 | -160 | 166.8 | 0 | 0 | 0 | 111.7 | L34 N35 L36 E89 Y94 Y95 P320 F322 | L34-I91 WeakPolarHBondContact O-CD1 3.49Å; N35-I91 HydrophobicContact CB-CD1 4.4Å; L36-I91 HydrophobicContact CD1-CG2 4.12Å; E89-I91 HydrophobicContact CB-CG2 3.92Å; E89-I91 PolarHBondContact O-N 3.29Å; I91-Y94 PolarHBondContact O-N 3.44Å; I91-Y95 HydrophobicContact CD1-CE2 4.08Å; I91-Y95 HydrophobicContact CG1-CD2 4.08Å; I91-Y95 HydrophobicContact CG1-CE2 3.59Å; I91-Y95 WeakPolarHBondContact O-CD2 3.43Å; I91-Y95 PolarHBondContact O-N 3.13Å; I91-Y95 VanDerWaalsContact O-N 3.09Å; I91-P320 HydrophobicContact CB-CG 3.93Å; I91-P320 HydrophobicContact CD1-CB 4.5Å; I91-P320 HydrophobicContact CD1-CG 4.45Å; I91-P320 HydrophobicContact CG2-CG 3.7Å; I91-F322 HydrophobicContact CB-CD1 3.79Å; I91-F322 HydrophobicContact CB-CE1 3.67Å; I91-F322 HydrophobicContact CB-CZ 4.47Å; I91-F322 HydrophobicContact CD1-CB 4.07Å; I91-F322 HydrophobicContact CD1-CD1 3.77Å; I91-F322 HydrophobicContact CD1-CG 4.06Å; I91-F322 HydrophobicContact CG1-CD1 3.67Å; I91-F322 HydrophobicContact CG1-CE1 3.93Å; I91-F322 HydrophobicContact CG1-CG 4.1Å |
| 92 | T | 96.6 | Very high | 95.8 | Very high | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.012 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -67.5 | -43.4 | 172.7 | -42.3 | 0 | 0 | 0 | 0 | 110.9 | L36 E38 Y41 F42 L87 E89 D90 L96 | L36-T92 HydrophobicContact CD1-CG2 4.36Å; E38-T92 HydrophobicContact CB-CG2 3.79Å; E38-T92 HydrophobicContact CG-CG2 4.38Å; E38-T92 VanDerWaalsContact OE2-CB 3.28Å; E38-T92 WeakPolarHBondContact OE2-CB 3.43Å; E38-T92 PolarHBondContact OE2-OG1 2.92Å; Y41-T92 HydrophobicContact CD2-CG2 4.41Å; F42-T92 HydrophobicContact CE2-CG2 4.01Å; F42-T92 HydrophobicContact CZ-CG2 4.34Å; L87-T92 HydrophobicContact CD1-CG2 3.88Å; L87-T92 HydrophobicContact CD2-CG2 3.97Å; L87-T92 HydrophobicContact CG-CG2 4.36Å; E89-T92 VanDerWaalsContact O-CB 3.31Å; E89-T92 WeakPolarHBondContact O-CB 3.3Å; E89-T92 PolarHBondContact O-N 3.39Å; E89-T92 VanDerWaalsContact O-N 3.08Å; E89-T92 PolarHBondContact O-OG1 3.23Å; D90-T92 VanDerWaalsContact C-N 3.3Å; D90-T92 PolarHBondContact O-N 3.1Å; T92-L96 WeakPolarHBondContact O-CB 3.45Å; T92-L96 PolarHBondContact O-N 3.32Å; T92-L96 VanDerWaalsContact O-N 3.16Å |
| 93 | R | 96.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 23.8 Ų | 23.8 | 10% | 0.102 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.2 | -48 | 172.8 | -75.7 | -179.7 | -88.9 | -75.1 | -1.2 | 111.3 | L87 T88 E89 D90 L96 C97 L178 | L87-R93 HydrophobicContact CB-CG 4.5Å; L87-R93 HydrophobicContact CD1-CG 4.13Å; L87-R93 PolarHBondContact O-NH1 3.49Å; T88-R93 PolarHBondContact O-NH2 2.98Å; E89-R93 PolarHBondContact O-N 3.2Å; D90-R93 WeakPolarHBondContact O-CB 3.33Å; D90-R93 PolarHBondContact O-N 2.94Å; D90-R93 IonicContact OD1-CZ 3.12Å; D90-R93 IonicContact OD1-NE 2.74Å; D90-R93 PolarHBondContact OD1-NE 2.74Å; D90-R93 IonicContact OD1-NH2 2.68Å; D90-R93 PolarHBondContact OD1-NH2 3.21Å; R93-L96 WeakPolarHBondContact O-CB 3.47Å; R93-L96 PolarHBondContact O-N 3.08Å; R93-L96 VanDerWaalsContact O-N 3.14Å; R93-C97 PolarHBondContact O-N 3.26Å; R93-C97 PolarHBondContact O-SG 3.02Å; R93-C97 VanDerWaalsContact O-SG 3.32Å; R93-L178 HydrophobicContact CB-CD1 3.75Å; R93-L178 HydrophobicContact CG-CD1 3.8Å |
| 94 | Y | 96.4 | Very high | 96 | Very high | 4 Ų | 4 | 22.2 Ų | 22.2 | 2% | 0.016 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -59.5 | -48.4 | -179.6 | 174.7 | -113.9 | 0 | 0 | 0 | 113.2 | D90 I91 L96 C97 L98 F322 R324 T325 | D90-Y94 WeakPolarHBondContact O-CB 3.36Å; D90-Y94 PolarHBondContact O-N 3.27Å; I91-Y94 PolarHBondContact O-N 3.44Å; Y94-L96 VanDerWaalsContact C-N 3.27Å; Y94-L96 PolarHBondContact O-N 3.44Å; Y94-C97 WeakPolarHBondContact O-CB 3.36Å; Y94-C97 PolarHBondContact O-N 3.48Å; Y94-C97 VanDerWaalsContact O-N 3.16Å; Y94-L98 HydrophobicContact CD1-CD1 4.11Å; Y94-L98 HydrophobicContact CE1-CD1 3.54Å; Y94-L98 HydrophobicContact CE1-CG 4.33Å; Y94-L98 HydrophobicContact CE2-CD1 4.2Å; Y94-L98 HydrophobicContact CE2-CD2 4.33Å; Y94-L98 HydrophobicContact CE2-CG 4.12Å; Y94-L98 PolarHBondContact O-N 2.88Å; Y94-F322 AromaticContact CD1-CD2 3.79Å; Y94-F322 HydrophobicContact CD1-CD2 3.79Å; Y94-F322 AromaticContact CD1-CE2 3.34Å; Y94-F322 HydrophobicContact CD1-CE2 3.34Å; Y94-F322 HydrophobicContact CD1-CZ 4.07Å; Y94-F322 AromaticContact CD2-CE2 3.92Å; Y94-F322 HydrophobicContact CD2-CE2 3.92Å; Y94-F322 AromaticContact CE1-CD2 3.99Å; Y94-F322 HydrophobicContact CE1-CD2 3.99Å; Y94-F322 AromaticContact CE1-CE2 3.86Å; Y94-F322 HydrophobicContact CE1-CE2 3.86Å; Y94-F322 HydrophobicContact CE2-CE2 4.39Å; Y94-F322 HydrophobicContact CG-CD2 4.28Å; Y94-F322 AromaticContact CG-CE2 3.37Å; Y94-F322 HydrophobicContact CG-CE2 3.37Å; Y94-F322 AromaticContact CG-CZ 3.83Å; Y94-F322 HydrophobicContact CG-CZ 3.83Å; Y94-R324 HydrophobicContact CE2-CB 4.28Å; Y94-R324 HydrophobicContact CE2-CG 3.9Å; Y94-R324 WeakPolarHBondContact OH-CA 3.45Å; Y94-T325 PolarHBondContact OH-N 2.89Å; Y94-T325 VanDerWaalsContact OH-N 3.15Å; Y94-T325 PolarHBondContact OH-OG1 3.22Å |
| 95 | Y | 97.5 | Very high | 96 | Very high | 16 Ų | 16 | 24.4 Ų | 24.4 | 6% | 0.063 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.3 | -30.4 | 176.2 | -71.4 | -53.9 | 0 | 0 | 0 | 112.8 | L8 L34 L36 I91 L98 Q99 | L8-Y95 HydrophobicContact CB-CD1 4.33Å; L8-Y95 HydrophobicContact CD1-CD1 4.43Å; L34-Y95 HydrophobicContact CB-CE2 3.98Å; L34-Y95 HydrophobicContact CD1-CE2 4.34Å; L34-Y95 HydrophobicContact CD2-CE1 4.4Å; L34-Y95 WeakPolarHBondContact CD2-OH 3.16Å; L36-Y95 HydrophobicContact CD1-CD2 4.42Å; L36-Y95 HydrophobicContact CD2-CD2 4.32Å; I91-Y95 HydrophobicContact CD1-CE2 4.08Å; I91-Y95 HydrophobicContact CG1-CD2 4.08Å; I91-Y95 HydrophobicContact CG1-CE2 3.59Å; I91-Y95 WeakPolarHBondContact O-CD2 3.43Å; I91-Y95 PolarHBondContact O-N 3.13Å; I91-Y95 VanDerWaalsContact O-N 3.09Å; Y95-L98 HydrophobicContact CD1-CD1 3.92Å; Y95-L98 HydrophobicContact CE1-CD1 4.3Å; Y95-Q99 PolarHBondContact O-N 2.84Å |
| 96 | L | 98.3 | Very high | 96 | Very high | 3 Ų | 3 | 24.5 Ų | 24.5 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.4 | -42.2 | 171.4 | -175.9 | 60.2 | 0 | 0 | 0 | 111.6 | V77 Y80 P81 P84 L87 T92 R93 Y94 Q99 L100 L178 | V77-L96 HydrophobicContact CG1-CD1 4.1Å; V77-L96 HydrophobicContact CG2-CD1 3.87Å; Y80-L96 HydrophobicContact CD1-CD1 3.77Å; Y80-L96 HydrophobicContact CE1-CD1 4.19Å; P81-L96 HydrophobicContact CG-CD2 3.66Å; P84-L96 HydrophobicContact CB-CD2 4.06Å; P84-L96 HydrophobicContact CG-CD2 4.19Å; L87-L96 HydrophobicContact CD1-CD2 4.13Å; T92-L96 WeakPolarHBondContact O-CB 3.45Å; T92-L96 PolarHBondContact O-N 3.32Å; T92-L96 VanDerWaalsContact O-N 3.16Å; R93-L96 WeakPolarHBondContact O-CB 3.47Å; R93-L96 PolarHBondContact O-N 3.08Å; R93-L96 VanDerWaalsContact O-N 3.14Å; Y94-L96 VanDerWaalsContact C-N 3.27Å; Y94-L96 PolarHBondContact O-N 3.44Å; L96-Q99 PolarHBondContact O-N 2.84Å; L96-L100 HydrophobicContact CD1-CD1 4.19Å; L96-L100 HydrophobicContact CD1-CG 4.46Å; L96-L100 HydrophobicContact CG-CD1 3.98Å; L96-L100 WeakPolarHBondContact O-CB 3.25Å; L96-L100 WeakPolarHBondContact O-CD1 3.41Å; L96-L100 VanDerWaalsContact O-CG 3.25Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.94Å; L96-L178 HydrophobicContact CB-CD2 4.18Å; L96-L178 HydrophobicContact CD2-CD1 4.33Å; L96-L178 HydrophobicContact CD2-CD2 3.67Å; L96-L178 HydrophobicContact CG-CD2 3.6Å |
| 97 | C | 97.9 | Very high | 96 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.007 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58.9 | -47.2 | 172.6 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | R93 Y94 Q99 L100 R101 F177 L178 | R93-C97 PolarHBondContact O-N 3.26Å; R93-C97 PolarHBondContact O-SG 3.02Å; R93-C97 VanDerWaalsContact O-SG 3.32Å; Y94-C97 WeakPolarHBondContact O-CB 3.36Å; Y94-C97 PolarHBondContact O-N 3.48Å; Y94-C97 VanDerWaalsContact O-N 3.16Å; C97-Q99 PolarHBondContact O-N 2.89Å; C97-L100 PolarHBondContact O-N 2.83Å; C97-R101 WeakPolarHBondContact O-CB 3.39Å; C97-R101 WeakPolarHBondContact O-CG 3.49Å; C97-R101 PolarHBondContact O-N 2.91Å; C97-F177 HydrophobicContact CB-CD1 4.22Å; C97-F177 HydrophobicContact CB-CE1 4.34Å; C97-L178 VanDerWaalsContact SG-CG 3.58Å |
| 98 | L | 97.2 | Very high | 95.8 | Very high | 8 Ų | 8 | 26.5 Ų | 26.5 | 4% | 0.042 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.4 | -45.8 | 176.5 | -73 | 175.1 | 0 | 0 | 0 | 111.8 | L8 D9 Y94 Y95 L100 R101 Q102 | L8-L98 HydrophobicContact CB-CB 3.98Å; L8-L98 HydrophobicContact CB-CD1 4.19Å; D9-L98 HydrophobicContact CB-CD1 4.13Å; Y94-L98 HydrophobicContact CD1-CD1 4.11Å; Y94-L98 HydrophobicContact CE1-CD1 3.54Å; Y94-L98 HydrophobicContact CE1-CG 4.33Å; Y94-L98 HydrophobicContact CE2-CD1 4.2Å; Y94-L98 HydrophobicContact CE2-CD2 4.33Å; Y94-L98 HydrophobicContact CE2-CG 4.12Å; Y94-L98 PolarHBondContact O-N 2.88Å; Y95-L98 HydrophobicContact CD1-CD1 3.92Å; Y95-L98 HydrophobicContact CE1-CD1 4.3Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.37Å; L98-R101 PolarHBondContact O-N 2.82Å; L98-Q102 WeakPolarHBondContact O-CG 3.45Å; L98-Q102 PolarHBondContact O-N 3.29Å |
| 99 | Q | 97.9 | Very high | 95.9 | Very high | 1 Ų | 1 | 23.5 Ų | 23.5 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 177.2 | 179.7 | 64.8 | 93.2 | 0 | 0 | 112.5 | L8 N76 V77 Y80 Y95 L96 C97 Q102 D103 | L8-Q99 HydrophobicContact CD1-CB 4.3Å; L8-Q99 HydrophobicContact CD2-CB 4.06Å; N76-Q99 VanDerWaalsContact CB-OE1 3.26Å; N76-Q99 PolarHBondContact ND2-OE1 3.04Å; V77-Q99 HydrophobicContact CB-CB 4.4Å; V77-Q99 HydrophobicContact CB-CG 3.92Å; V77-Q99 HydrophobicContact CG2-CB 3.67Å; V77-Q99 HydrophobicContact CG2-CG 3.75Å; Y80-Q99 HydrophobicContact CE1-CG 4.05Å; Y80-Q99 WeakPolarHBondContact OH-CG 3.44Å; Y95-Q99 PolarHBondContact O-N 2.84Å; L96-Q99 PolarHBondContact O-N 2.84Å; C97-Q99 PolarHBondContact O-N 2.89Å; Q99-Q102 WeakPolarHBondContact O-CB 3.47Å; Q99-Q102 PolarHBondContact O-N 2.84Å; Q99-D103 VanDerWaalsContact O-CG 3.31Å; Q99-D103 PolarHBondContact O-N 3.33Å |
| 100 | L | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.7 | -37.4 | 179.6 | -69.2 | 163.8 | 0 | 0 | 0 | 111.9 | Y80 L96 C97 L98 Q102 D103 I104 L109 F177 L178 A181 Y187 | Y80-L100 HydrophobicContact CD1-CD2 4.21Å; Y80-L100 HydrophobicContact CE1-CD2 3.98Å; L96-L100 HydrophobicContact CD1-CD1 4.19Å; L96-L100 HydrophobicContact CD1-CG 4.46Å; L96-L100 HydrophobicContact CG-CD1 3.98Å; L96-L100 WeakPolarHBondContact O-CB 3.25Å; L96-L100 WeakPolarHBondContact O-CD1 3.41Å; L96-L100 VanDerWaalsContact O-CG 3.25Å; L96-L100 WeakPolarHBondContact O-CG 3.36Å; L96-L100 PolarHBondContact O-N 2.94Å; C97-L100 PolarHBondContact O-N 2.83Å; L98-L100 VanDerWaalsContact C-N 3.34Å; L98-L100 PolarHBondContact O-N 3.37Å; L100-Q102 VanDerWaalsContact C-N 3.35Å; L100-D103 PolarHBondContact O-N 3.24Å; L100-D103 VanDerWaalsContact O-N 3.12Å; L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.41Å; L100-I104 PolarHBondContact O-N 3.09Å; L100-L109 HydrophobicContact CD2-CD2 3.66Å; L100-F177 HydrophobicContact CB-CE1 3.8Å; L100-F177 HydrophobicContact CB-CZ 4.18Å; L100-F177 HydrophobicContact CD1-CE1 4.1Å; L100-L178 HydrophobicContact CD1-CD2 3.49Å; L100-L178 VanDerWaalsContact CD1-CD2 3.49Å; L100-A181 HydrophobicContact CD1-CB 4.11Å; L100-Y187 HydrophobicContact CD1-CE2 3.95Å; L100-Y187 HydrophobicContact CD2-CD2 3.77Å; L100-Y187 HydrophobicContact CD2-CE2 3.81Å |
| 101 | R | 97.3 | Very high | 96.1 | Very high | 45 Ų | 45 | 25.8 Ų | 25.8 | 17% | 0.17 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57.6 | -46.6 | 169.3 | -74.8 | 161.8 | 59.5 | -176.5 | 0.6 | 110.9 | C97 L98 D103 I104 V105 T123 E127 F177 | C97-R101 WeakPolarHBondContact O-CB 3.39Å; C97-R101 WeakPolarHBondContact O-CG 3.49Å; C97-R101 PolarHBondContact O-N 2.91Å; L98-R101 PolarHBondContact O-N 2.82Å; R101-D103 VanDerWaalsContact C-N 3.32Å; R101-D103 PolarHBondContact O-N 2.89Å; R101-I104 PolarHBondContact O-N 3.31Å; R101-V105 WeakPolarHBondContact O-CG2 3.42Å; R101-V105 PolarHBondContact O-N 2.79Å; R101-T123 VanDerWaalsContact CZ-CG2 3.41Å; R101-E127 IonicContact CZ-OE1 2.75Å; R101-E127 IonicContact NH1-OE1 2.74Å; R101-E127 PolarHBondContact NH1-OE1 3.09Å; R101-E127 IonicContact NH2-OE1 2.68Å; R101-E127 PolarHBondContact NH2-OE1 3.31Å; R101-F177 HydrophobicContact CG-CE2 4.03Å; R101-F177 HydrophobicContact CG-CZ 3.87Å |
| 102 | Q | 95.6 | Very high | 96.2 | Very high | 52 Ų | 52 | 28.7 Ų | 28.7 | 24% | 0.243 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.7 | -36 | 172.9 | -69.8 | -176 | -2.6 | 0 | 0 | 113 | L8 L98 Q99 L100 A106 R108 | L8-Q102 PolarHBondContact O-NE2 2.89Å; L98-Q102 WeakPolarHBondContact O-CG 3.45Å; L98-Q102 PolarHBondContact O-N 3.29Å; Q99-Q102 WeakPolarHBondContact O-CB 3.47Å; Q99-Q102 PolarHBondContact O-N 2.84Å; L100-Q102 VanDerWaalsContact C-N 3.35Å; Q102-A106 WeakPolarHBondContact O-CB 3.5Å; Q102-A106 PolarHBondContact O-N 2.62Å; Q102-R108 PolarHBondContact O-NH2 3.33Å |
| 103 | D | 96.3 | Very high | 96.2 | Very high | 14 Ų | 14 | 33.3 Ų | 33.3 | 8% | 0.075 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -70.9 | -36.3 | 177.6 | -72.1 | -25.7 | 0 | 0 | 0 | 112.3 | Y80 Q99 L100 R101 G107 R108 L109 | Y80-D103 PolarHBondContact OH-OD2 3.11Å; Q99-D103 VanDerWaalsContact O-CG 3.31Å; Q99-D103 PolarHBondContact O-N 3.33Å; L100-D103 PolarHBondContact O-N 3.24Å; L100-D103 VanDerWaalsContact O-N 3.12Å; R101-D103 VanDerWaalsContact C-N 3.32Å; R101-D103 PolarHBondContact O-N 2.89Å; D103-G107 PolarHBondContact O-N 2.81Å; D103-R108 HydrophobicContact CB-CB 4.24Å; D103-R108 WeakPolarHBondContact O-CA 3.4Å; D103-R108 PolarHBondContact O-N 2.65Å; D103-R108 IonicContact OD1-CZ 2.74Å; D103-R108 IonicContact OD1-NE 3.93Å; D103-R108 PolarHBondContact OD1-NE 3.14Å; D103-R108 IonicContact OD1-NH2 2.76Å; D103-R108 PolarHBondContact OD1-NH2 2.74Å; D103-L109 HydrophobicContact CB-CB 3.89Å; D103-L109 PolarHBondContact O-N 2.61Å |
| 104 | I | 97.3 | Very high | 96.3 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.041 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.4 | -53.2 | 174.6 | -68.2 | 166 | 0 | 0 | 0 | 110.4 | L100 R101 A106 G107 L109 L116 L119 L146 P148 F177 | L100-I104 VanDerWaalsContact O-CG1 3.31Å; L100-I104 WeakPolarHBondContact O-CG1 3.41Å; L100-I104 PolarHBondContact O-N 3.09Å; R101-I104 PolarHBondContact O-N 3.31Å; I104-A106 VanDerWaalsContact C-N 3.26Å; I104-A106 PolarHBondContact O-N 3.02Å; I104-G107 PolarHBondContact O-N 3.32Å; I104-L109 HydrophobicContact CD1-CD2 4.46Å; I104-L109 HydrophobicContact CG1-CB 4.07Å; I104-L109 HydrophobicContact CG1-CD2 4.01Å; I104-L109 HydrophobicContact CG1-CG 4.07Å; I104-L116 HydrophobicContact CG2-CD2 3.46Å; I104-L116 VanDerWaalsContact CG2-CD2 3.46Å; I104-L119 HydrophobicContact CD1-CD1 3.82Å; I104-L146 WeakPolarHBondContact CG2-O 3.33Å; I104-P148 WeakPolarHBondContact O-CD 3.48Å; I104-P148 VanDerWaalsContact O-CG 3.28Å; I104-P148 WeakPolarHBondContact O-CG 3.48Å; I104-F177 HydrophobicContact CD1-CZ 4.27Å |
| 105 | V | 95.4 | Very high | 96.3 | Very high | 47 Ų | 47 | 36.7 Ų | 36.7 | 29% | 0.285 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.7 | -31.1 | -179 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | R101 G107 K145 P148 | R101-V105 WeakPolarHBondContact O-CG2 3.42Å; R101-V105 PolarHBondContact O-N 2.79Å; V105-G107 VanDerWaalsContact C-N 3.3Å; V105-G107 PolarHBondContact O-N 3.42Å; V105-K145 HydrophobicContact CG1-CB 4.41Å; V105-K145 HydrophobicContact CG2-CB 4.29Å; V105-K145 VanDerWaalsContact CG2-O 3.27Å; V105-K145 WeakPolarHBondContact CG2-O 3.42Å; V105-P148 WeakPolarHBondContact O-CG 3.27Å |
| 106 | A | 93 | Very high | 96.4 | Very high | 54 Ų | 54 | 37.3 Ų | 37.3 | 45% | 0.446 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | 3.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q102 I104 R108 | Q102-A106 WeakPolarHBondContact O-CB 3.5Å; Q102-A106 PolarHBondContact O-N 2.62Å; I104-A106 VanDerWaalsContact C-N 3.26Å; I104-A106 PolarHBondContact O-N 3.02Å; A106-R108 HydrophobicContact CB-CG 4.33Å; A106-R108 PolarHBondContact O-N 2.88Å |
| 107 | G | 92.6 | Very high | 96.4 | Very high | 45 Ų | 45 | 37.2 Ų | 37.2 | 46% | 0.464 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.9 | 13.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | D103 I104 V105 | D103-G107 PolarHBondContact O-N 2.81Å; I104-G107 PolarHBondContact O-N 3.32Å; V105-G107 VanDerWaalsContact C-N 3.3Å; V105-G107 PolarHBondContact O-N 3.42Å |
| 108 | R | 92.3 | Very high | 96.4 | Very high | 101 Ų | 101 | 39.4 Ų | 39.4 | 38% | 0.381 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -76.5 | -28.8 | 175.2 | -65 | -170.5 | -66.4 | -90.9 | -2.7 | 112.1 | Q102 D103 A106 P110 | Q102-R108 PolarHBondContact O-NH2 3.33Å; D103-R108 HydrophobicContact CB-CB 4.24Å; D103-R108 WeakPolarHBondContact O-CA 3.4Å; D103-R108 PolarHBondContact O-N 2.65Å; D103-R108 IonicContact OD1-CZ 2.74Å; D103-R108 IonicContact OD1-NE 3.93Å; D103-R108 PolarHBondContact OD1-NE 3.14Å; D103-R108 IonicContact OD1-NH2 2.76Å; D103-R108 PolarHBondContact OD1-NH2 2.74Å; A106-R108 HydrophobicContact CB-CG 4.33Å; A106-R108 PolarHBondContact O-N 2.88Å; R108-P110 WeakPolarHBondContact O-CD 3.46Å |
| 109 | L | 95.9 | Very high | 96.5 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.021 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -116.5 | 90.8 | 176.4 | -177 | 53.7 | 0 | 0 | 0 | 109.7 | L100 D103 I104 L184 M186 | L100-L109 HydrophobicContact CD2-CD2 3.66Å; D103-L109 HydrophobicContact CB-CB 3.89Å; D103-L109 PolarHBondContact O-N 2.61Å; I104-L109 HydrophobicContact CD1-CD2 4.46Å; I104-L109 HydrophobicContact CG1-CB 4.07Å; I104-L109 HydrophobicContact CG1-CD2 4.01Å; I104-L109 HydrophobicContact CG1-CG 4.07Å; L109-L184 HydrophobicContact CD1-CB 3.73Å; L109-L184 HydrophobicContact CD1-CD1 3.81Å; L109-L184 HydrophobicContact CD1-CG 4.4Å; L109-L184 HydrophobicContact CD2-CD1 3.98Å; L109-L184 HydrophobicContact CG-CD1 3.8Å; L109-M186 HydrophobicContact CD1-CB 4.02Å |
| 110 | P | 94.8 | Very high | 96.5 | Very high | 75 Ų | 75 | 39.3 Ų | 39.3 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | trans | -69.3 | 132.9 | -178.6 | -18.9 | 33.3 | 0 | 0 | 0 | 111.9 | R108 M186 | R108-P110 WeakPolarHBondContact O-CD 3.46Å; P110-M186 HydrophobicContact CG-CG 4.26Å | ||
| 111 | C | 96.1 | Very high | 96.5 | Very high | 32 Ų | 32 | 39.3 Ų | 39.3 | 22% | 0.216 | 24% | 0.235 | C | C | . | . | trans | -122.8 | 154.8 | 180 | -69.2 | 0 | 0 | 0 | 0 | 110.6 | T115 L116 L184 | C111-T115 HydrophobicContact CB-CG2 4.49Å; C111-L116 HydrophobicContact CB-CD2 3.61Å; C111-L116 HydrophobicContact CB-CG 3.64Å; C111-L184 WeakPolarHBondContact SG-CD1 3.4Å | ||
| 112 | S | 96.3 | Very high | 96.5 | Very high | 63 Ų | 63 | 38.3 Ų | 38.3 | 44% | 0.441 | 23% | 0.231 | S | C | . | . | trans | -75.9 | 162.4 | 165.4 | 82.6 | 0 | 0 | 0 | 0 | 110.6 | A114 T115 L116 | S112-A114 VanDerWaalsContact C-N 3.33Å; S112-A114 PolarHBondContact O-N 2.9Å; S112-T115 CarbonylContact O-C 3.53Å; S112-T115 PolarHBondContact O-N 2.93Å; S112-T115 VanDerWaalsContact O-N 3.08Å; S112-T115 PolarHBondContact OG-N 3.02Å; S112-T115 VanDerWaalsContact OG-N 3.12Å; S112-T115 PolarHBondContact OG-OG1 2.89Å; S112-L116 WeakPolarHBondContact O-CG 3.13Å; S112-L116 PolarHBondContact O-N 3.29Å | ||
| 113 | F | 97.5 | Very high | 96.6 | Very high | 99 Ų | 99 | 36 Ų | 36 | 43% | 0.434 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -53.5 | -48 | 174.5 | 176.5 | -89.8 | 0 | 0 | 0 | 112.4 | T115 L116 A117 E153 L154 K157 | F113-T115 VanDerWaalsContact C-N 3.29Å; F113-T115 PolarHBondContact O-N 2.99Å; F113-L116 WeakPolarHBondContact O-CB 3.35Å; F113-L116 PolarHBondContact O-N 2.67Å; F113-A117 PolarHBondContact O-N 2.89Å; F113-E153 HydrophobicContact CE2-CB 4.29Å; F113-E153 HydrophobicContact CZ-CB 4.21Å; F113-L154 HydrophobicContact CD2-CD1 4.41Å; F113-L154 HydrophobicContact CE2-CB 3.79Å; F113-L154 HydrophobicContact CE2-CD1 4.2Å; F113-L154 HydrophobicContact CZ-CB 4.39Å; F113-K157 HydrophobicContact CE1-CB 4.4Å; F113-K157 HydrophobicContact CE1-CG 4.43Å; F113-K157 HydrophobicContact CZ-CB 4.38Å |
| 114 | A | 97.7 | Very high | 96.6 | Very high | 67 Ų | 67 | 35.3 Ų | 35.3 | 55% | 0.554 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -63.1 | -35.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | S112 A117 L118 | S112-A114 VanDerWaalsContact C-N 3.33Å; S112-A114 PolarHBondContact O-N 2.9Å; A114-A117 PolarHBondContact O-N 3Å; A114-L118 WeakPolarHBondContact O-CB 3.46Å; A114-L118 PolarHBondContact O-N 3.27Å |
| 115 | T | 98.1 | Very high | 96.6 | Very high | 36 Ų | 36 | 35 Ų | 35 | 22% | 0.221 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.2 | -36.4 | 175.6 | -41.4 | 0 | 0 | 0 | 0 | 112.1 | C111 S112 F113 L118 L119 L184 | C111-T115 HydrophobicContact CB-CG2 4.49Å; S112-T115 CarbonylContact O-C 3.53Å; S112-T115 PolarHBondContact O-N 2.93Å; S112-T115 VanDerWaalsContact O-N 3.08Å; S112-T115 PolarHBondContact OG-N 3.02Å; S112-T115 VanDerWaalsContact OG-N 3.12Å; S112-T115 PolarHBondContact OG-OG1 2.89Å; F113-T115 VanDerWaalsContact C-N 3.29Å; F113-T115 PolarHBondContact O-N 2.99Å; T115-L118 PolarHBondContact O-N 2.69Å; T115-L119 HydrophobicContact CG2-CD1 3.95Å; T115-L119 HydrophobicContact CG2-CG 4.21Å; T115-L119 WeakPolarHBondContact O-CB 3.31Å; T115-L119 VanDerWaalsContact O-CG 3.3Å; T115-L119 WeakPolarHBondContact O-CG 3.22Å; T115-L119 PolarHBondContact O-N 3.37Å; T115-L184 HydrophobicContact CG2-CD2 4.19Å |
| 116 | L | 98.1 | Very high | 96.6 | Very high | 29 Ų | 29 | 32.8 Ų | 32.8 | 15% | 0.152 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.7 | -41.6 | 172.2 | -71.9 | 171.6 | 0 | 0 | 0 | 111.1 | I104 C111 S112 F113 G120 A147 L154 | I104-L116 HydrophobicContact CG2-CD2 3.46Å; I104-L116 VanDerWaalsContact CG2-CD2 3.46Å; C111-L116 HydrophobicContact CB-CD2 3.61Å; C111-L116 HydrophobicContact CB-CG 3.64Å; S112-L116 WeakPolarHBondContact O-CG 3.13Å; S112-L116 PolarHBondContact O-N 3.29Å; F113-L116 WeakPolarHBondContact O-CB 3.35Å; F113-L116 PolarHBondContact O-N 2.67Å; L116-G120 WeakPolarHBondContact O-CA 3.41Å; L116-G120 PolarHBondContact O-N 2.74Å; L116-A147 HydrophobicContact CD1-CB 3.99Å; L116-A147 HydrophobicContact CD2-CB 4.17Å; L116-L154 HydrophobicContact CB-CD1 3.8Å; L116-L154 HydrophobicContact CB-CD2 4.18Å; L116-L154 HydrophobicContact CD1-CD2 4.42Å |
| 117 | A | 98.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.6 | F113 A114 G120 S121 L154 K157 V158 L161 | F113-A117 PolarHBondContact O-N 2.89Å; A114-A117 PolarHBondContact O-N 3Å; A117-G120 PolarHBondContact O-N 2.82Å; A117-S121 PolarHBondContact O-N 3.48Å; A117-S121 PolarHBondContact O-OG 2.94Å; A117-L154 HydrophobicContact CB-CD1 3.93Å; A117-K157 HydrophobicContact CB-CB 3.97Å; A117-K157 HydrophobicContact CB-CG 3.66Å; A117-V158 HydrophobicContact CB-CG2 4.49Å; A117-L161 HydrophobicContact CB-CD1 4.05Å |
| 118 | L | 98.6 | Very high | 96.6 | Very high | 47 Ų | 47 | 31.9 Ų | 31.9 | 25% | 0.246 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -69.1 | -46 | -179.9 | -176.8 | 63.6 | 0 | 0 | 0 | 113.4 | A114 T115 G120 S121 Y122 | A114-L118 WeakPolarHBondContact O-CB 3.46Å; A114-L118 PolarHBondContact O-N 3.27Å; T115-L118 PolarHBondContact O-N 2.69Å; L118-G120 VanDerWaalsContact C-N 3.25Å; L118-G120 PolarHBondContact O-N 2.74Å; L118-S121 PolarHBondContact O-N 3.49Å; L118-S121 PolarHBondContact O-OG 3.31Å; L118-Y122 HydrophobicContact CD1-CD2 4.24Å; L118-Y122 HydrophobicContact CD1-CE2 3.48Å; L118-Y122 VanDerWaalsContact CD1-CE2 3.48Å; L118-Y122 HydrophobicContact CD2-CE2 4.29Å; L118-Y122 HydrophobicContact CG-CD2 4.17Å; L118-Y122 HydrophobicContact CG-CE2 3.6Å; L118-Y122 WeakPolarHBondContact O-CD2 3.49Å; L118-Y122 PolarHBondContact O-N 3.05Å |
| 119 | L | 98.6 | Very high | 96.7 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.9 | -29.4 | 175.3 | -66 | -179.6 | 0 | 0 | 0 | 111.4 | I104 T115 T123 F177 N180 A181 L184 | I104-L119 HydrophobicContact CD1-CD1 3.82Å; T115-L119 HydrophobicContact CG2-CD1 3.95Å; T115-L119 HydrophobicContact CG2-CG 4.21Å; T115-L119 WeakPolarHBondContact O-CB 3.31Å; T115-L119 VanDerWaalsContact O-CG 3.3Å; T115-L119 WeakPolarHBondContact O-CG 3.22Å; T115-L119 PolarHBondContact O-N 3.37Å; L119-T123 WeakPolarHBondContact O-CB 3.42Å; L119-T123 PolarHBondContact O-N 2.81Å; L119-T123 VanDerWaalsContact O-N 3.1Å; L119-T123 PolarHBondContact O-OG1 3.08Å; L119-F177 HydrophobicContact CB-CD2 3.95Å; L119-F177 HydrophobicContact CB-CE2 3.74Å; L119-F177 HydrophobicContact CD2-CB 4.46Å; L119-F177 HydrophobicContact CD2-CD2 3.8Å; L119-F177 HydrophobicContact CD2-CE2 4.1Å; L119-F177 HydrophobicContact CD2-CG 4Å; L119-F177 VanDerWaalsContact CD2-O 3.3Å; L119-F177 WeakPolarHBondContact CD2-O 3.46Å; L119-F177 HydrophobicContact CG-CD2 4.44Å; L119-F177 HydrophobicContact CG-CE2 4.36Å; L119-F177 WeakPolarHBondContact O-CD2 3.28Å; L119-N180 HydrophobicContact CD2-CB 3.97Å; L119-A181 HydrophobicContact CD1-CB 4.46Å; L119-A181 HydrophobicContact CD2-CB 4.4Å; L119-L184 HydrophobicContact CD1-CD1 4.25Å |
| 120 | G | 98 | Very high | 96.6 | Very high | 3 Ų | 3 | 31.2 Ų | 31.2 | 3% | 0.031 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -50.2 | 171 | 0 | 0 | 0 | 0 | 0 | 112.3 | L116 A117 L118 Y122 T123 I124 | L116-G120 WeakPolarHBondContact O-CA 3.41Å; L116-G120 PolarHBondContact O-N 2.74Å; A117-G120 PolarHBondContact O-N 2.82Å; L118-G120 VanDerWaalsContact C-N 3.25Å; L118-G120 PolarHBondContact O-N 2.74Å; G120-Y122 PolarHBondContact O-N 2.99Å; G120-T123 WeakPolarHBondContact O-CA 3.49Å; G120-T123 VanDerWaalsContact O-CB 3.28Å; G120-T123 WeakPolarHBondContact O-CB 3.48Å; G120-T123 PolarHBondContact O-N 2.74Å; G120-I124 WeakPolarHBondContact O-CG1 3.45Å; G120-I124 PolarHBondContact O-N 2.99Å |
| 121 | S | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -65.2 | -38 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 112.9 | A117 L118 T123 I124 Q125 L161 Y165 | A117-S121 PolarHBondContact O-N 3.48Å; A117-S121 PolarHBondContact O-OG 2.94Å; L118-S121 PolarHBondContact O-N 3.49Å; L118-S121 PolarHBondContact O-OG 3.31Å; S121-T123 VanDerWaalsContact C-N 3.33Å; S121-I124 PolarHBondContact O-N 2.82Å; S121-Q125 WeakPolarHBondContact O-CB 3.29Å; S121-Q125 PolarHBondContact O-N 3.42Å; S121-L161 VanDerWaalsContact CB-CB 3.43Å; S121-L161 WeakPolarHBondContact OG-CB 3.38Å; S121-Y165 PolarHBondContact OG-OH 3.31Å |
| 122 | Y | 98.6 | Very high | 96.6 | Very high | 24 Ų | 24 | 32.1 Ų | 32.1 | 9% | 0.094 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -64.7 | -35.6 | 169.9 | -65.9 | -50.4 | 0 | 0 | 0 | 112.8 | L118 G120 S126 Y165 M168 E176 | L118-Y122 HydrophobicContact CD1-CD2 4.24Å; L118-Y122 HydrophobicContact CD1-CE2 3.48Å; L118-Y122 VanDerWaalsContact CD1-CE2 3.48Å; L118-Y122 HydrophobicContact CD2-CE2 4.29Å; L118-Y122 HydrophobicContact CG-CD2 4.17Å; L118-Y122 HydrophobicContact CG-CE2 3.6Å; L118-Y122 WeakPolarHBondContact O-CD2 3.49Å; L118-Y122 PolarHBondContact O-N 3.05Å; G120-Y122 PolarHBondContact O-N 2.99Å; Y122-S126 WeakPolarHBondContact O-CB 3.36Å; Y122-S126 PolarHBondContact O-N 2.91Å; Y122-Y165 HydrophobicContact CD1-CE2 4.07Å; Y122-Y165 AromaticContact CD1-CZ 3.84Å; Y122-Y165 AromaticContact CE1-CE1 3.97Å; Y122-Y165 HydrophobicContact CE1-CE1 3.97Å; Y122-Y165 HydrophobicContact CE1-CE2 4.31Å; Y122-Y165 AromaticContact CE1-CZ 3.64Å; Y122-Y165 WeakPolarHBondContact CE1-OH 3.43Å; Y122-M168 HydrophobicContact CD1-SD 4.05Å; Y122-M168 HydrophobicContact CE1-CE 4.21Å; Y122-M168 HydrophobicContact CE1-SD 4.05Å; Y122-E176 HydrophobicContact CD1-CB 3.97Å; Y122-E176 HydrophobicContact CD2-CB 4.21Å; Y122-E176 HydrophobicContact CE1-CB 3.59Å; Y122-E176 HydrophobicContact CE1-CG 4.19Å; Y122-E176 HydrophobicContact CE2-CB 3.85Å; Y122-E176 HydrophobicContact CG-CB 4.28Å |
| 123 | T | 97.3 | Very high | 96.4 | Very high | 3 Ų | 3 | 33.5 Ų | 33.5 | 2% | 0.018 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 174.1 | -63 | 0 | 0 | 0 | 0 | 111.6 | R101 L119 G120 S121 E127 L146 F177 | R101-T123 VanDerWaalsContact CZ-CG2 3.41Å; L119-T123 WeakPolarHBondContact O-CB 3.42Å; L119-T123 PolarHBondContact O-N 2.81Å; L119-T123 VanDerWaalsContact O-N 3.1Å; L119-T123 PolarHBondContact O-OG1 3.08Å; G120-T123 WeakPolarHBondContact O-CA 3.49Å; G120-T123 VanDerWaalsContact O-CB 3.28Å; G120-T123 WeakPolarHBondContact O-CB 3.48Å; G120-T123 PolarHBondContact O-N 2.74Å; S121-T123 VanDerWaalsContact C-N 3.33Å; T123-E127 WeakPolarHBondContact O-CB 3.33Å; T123-E127 WeakPolarHBondContact O-CG 3.34Å; T123-E127 PolarHBondContact O-N 2.89Å; T123-L146 HydrophobicContact CG2-CD2 3.91Å; T123-F177 WeakPolarHBondContact OG1-CE2 3.45Å |
| 124 | I | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.8 | -48.6 | 177.7 | -62.8 | -59.7 | 0 | 0 | 0 | 110.4 | G120 S121 S126 E127 L128 Y140 V141 F144 V158 H162 | G120-I124 WeakPolarHBondContact O-CG1 3.45Å; G120-I124 PolarHBondContact O-N 2.99Å; S121-I124 PolarHBondContact O-N 2.82Å; I124-S126 VanDerWaalsContact C-N 3.28Å; I124-S126 PolarHBondContact O-N 3.12Å; I124-E127 PolarHBondContact O-N 2.98Å; I124-E127 VanDerWaalsContact O-N 3.11Å; I124-L128 HydrophobicContact CG2-CD1 3.9Å; I124-L128 HydrophobicContact CG2-CG 4.44Å; I124-L128 PolarHBondContact O-N 2.97Å; I124-Y140 HydrophobicContact CG2-CE2 3.79Å; I124-V141 HydrophobicContact CD1-CG1 4.21Å; I124-V141 HydrophobicContact CD1-CG2 4.2Å; I124-V141 HydrophobicContact CG1-CG1 4.39Å; I124-V141 HydrophobicContact CG1-CG2 4.14Å; I124-F144 HydrophobicContact CD1-CB 3.9Å; I124-F144 HydrophobicContact CD1-CD1 3.79Å; I124-F144 HydrophobicContact CD1-CD2 3.43Å; I124-F144 VanDerWaalsContact CD1-CD2 3.43Å; I124-F144 HydrophobicContact CD1-CE1 4.14Å; I124-F144 HydrophobicContact CD1-CE2 3.82Å; I124-F144 HydrophobicContact CD1-CG 3.42Å; I124-F144 VanDerWaalsContact CD1-CG 3.42Å; I124-F144 HydrophobicContact CD1-CZ 4.15Å; I124-V158 HydrophobicContact CG1-CG1 3.68Å; I124-H162 HydrophobicContact CG2-CB 4.5Å |
| 125 | Q | 97 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.7 | -41.6 | 175.6 | -176.5 | 70.7 | 34.5 | 0 | 0 | 112.2 | S121 E127 G129 D130 H162 Y165 M168 A173 | S121-Q125 WeakPolarHBondContact O-CB 3.29Å; S121-Q125 PolarHBondContact O-N 3.42Å; Q125-E127 VanDerWaalsContact C-N 3.31Å; Q125-E127 PolarHBondContact O-N 2.69Å; Q125-G129 PolarHBondContact NE2-O 3.14Å; Q125-G129 WeakPolarHBondContact O-CA 3.36Å; Q125-G129 PolarHBondContact O-N 3.14Å; Q125-G129 PolarHBondContact OE1-O 3.29Å; Q125-D130 PolarHBondContact NE2-OD1 3.19Å; Q125-H162 PolarHBondContact OE1-CD2 3.2Å; Q125-H162 VanDerWaalsContact OE1-CD2 3.31Å; Q125-Y165 HydrophobicContact CB-CD2 3.94Å; Q125-Y165 HydrophobicContact CB-CE2 4.32Å; Q125-Y165 HydrophobicContact CG-CD2 4.04Å; Q125-Y165 VanDerWaalsContact OE1-CB 3.32Å; Q125-M168 HydrophobicContact CG-CB 4.1Å; Q125-M168 HydrophobicContact CG-CG 4.15Å; Q125-M168 HydrophobicContact CG-SD 4.06Å; Q125-M168 PolarHBondContact NE2-O 3.35Å; Q125-A173 HydrophobicContact CB-CB 4.09Å; Q125-A173 HydrophobicContact CG-CB 3.87Å |
| 126 | S | 95.6 | Very high | 95.5 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.014 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -80.8 | -7.6 | -178 | 97.5 | 0 | 0 | 0 | 0 | 114.5 | Y122 I124 D174 R324 | Y122-S126 WeakPolarHBondContact O-CB 3.36Å; Y122-S126 PolarHBondContact O-N 2.91Å; I124-S126 VanDerWaalsContact C-N 3.28Å; I124-S126 PolarHBondContact O-N 3.12Å; S126-D174 WeakPolarHBondContact CB-OD1 3.4Å; S126-D174 PolarHBondContact OG-OD1 3.46Å; S126-R324 VanDerWaalsContact CB-NH1 3.33Å; S126-R324 WeakPolarHBondContact O-CD 3.39Å; S126-R324 PolarHBondContact O-NE 2.89Å; S126-R324 PolarHBondContact O-NH1 3.4Å; S126-R324 PolarHBondContact OG-NH1 2.9Å |
| 127 | E | 92.9 | Very high | 95.1 | Very high | 19 Ų | 19 | 41 Ų | 41 | 9% | 0.089 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -110.2 | -27 | 177.9 | -70.5 | -90.9 | -150.5 | 0 | 0 | 113.2 | R101 T123 I124 Q125 F144 R324 A326 | R101-E127 IonicContact CZ-OE1 2.75Å; R101-E127 IonicContact NH1-OE1 2.74Å; R101-E127 PolarHBondContact NH1-OE1 3.09Å; R101-E127 IonicContact NH2-OE1 2.68Å; R101-E127 PolarHBondContact NH2-OE1 3.31Å; T123-E127 WeakPolarHBondContact O-CB 3.33Å; T123-E127 WeakPolarHBondContact O-CG 3.34Å; T123-E127 PolarHBondContact O-N 2.89Å; I124-E127 PolarHBondContact O-N 2.98Å; I124-E127 VanDerWaalsContact O-N 3.11Å; Q125-E127 VanDerWaalsContact C-N 3.31Å; Q125-E127 PolarHBondContact O-N 2.69Å; E127-F144 HydrophobicContact CB-CE1 3.79Å; E127-F144 HydrophobicContact CB-CZ 4.28Å; E127-F144 HydrophobicContact CG-CE1 4.12Å; E127-R324 WeakPolarHBondContact OE2-CB 3.26Å; E127-A326 HydrophobicContact CB-CB 3.69Å; E127-A326 HydrophobicContact CG-CB 4.2Å; E127-A326 WeakPolarHBondContact OE2-CB 3.17Å; E127-A326 PolarHBondContact OE2-N 2.77Å |
| 128 | L | 93 | Very high | 94.5 | Very high | 60 Ų | 60 | 49 Ų | 49 | 31% | 0.314 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -114.6 | -22.4 | -177.6 | -60 | -175.7 | 0 | 0 | 0 | 114.7 | I124 H136 Y140 F144 | I124-L128 HydrophobicContact CG2-CD1 3.9Å; I124-L128 HydrophobicContact CG2-CG 4.44Å; I124-L128 PolarHBondContact O-N 2.97Å; L128-H136 WeakPolarHBondContact CD1-NE2 3.41Å; L128-Y140 HydrophobicContact CD1-CD2 3.8Å; L128-Y140 HydrophobicContact CD1-CE2 4.12Å; L128-F144 HydrophobicContact CD1-CE2 4.12Å; L128-F144 HydrophobicContact CD1-CZ 4.17Å; L128-F144 HydrophobicContact CD2-CE2 4.46Å; L128-F144 HydrophobicContact CD2-CZ 3.92Å; L128-F144 HydrophobicContact CG-CE2 4.44Å; L128-F144 HydrophobicContact CG-CZ 3.99Å |
| 129 | G | 93.2 | Very high | 94.1 | Very high | 23 Ų | 23 | 50.8 Ų | 50.8 | 24% | 0.237 | 28% | 0.278 | C | S | . | . | trans | 91.2 | -155.3 | -169.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q125 H162 | Q125-G129 PolarHBondContact NE2-O 3.14Å; Q125-G129 WeakPolarHBondContact O-CA 3.36Å; Q125-G129 PolarHBondContact O-N 3.14Å; Q125-G129 PolarHBondContact OE1-O 3.29Å; G129-H162 PolarHBondContact O-NE2 2.89Å | ||
| 130 | D | 94.9 | Very high | 93.9 | Very high | 69 Ų | 69 | 52 Ų | 52 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -70.8 | 155 | 177.4 | -76.6 | -14.6 | 0 | 0 | 0 | 112.2 | Q125 D132 S167 M168 | Q125-D130 PolarHBondContact NE2-OD1 3.19Å; D130-D132 PolarHBondContact O-N 3.34Å; D130-D132 VanDerWaalsContact O-N 3.07Å; D130-S167 VanDerWaalsContact CG-N 3.32Å; D130-S167 PolarHBondContact OD1-N 2.9Å; D130-S167 VanDerWaalsContact OD1-N 3.12Å; D130-S167 WeakPolarHBondContact OD2-CA 2.99Å; D130-S167 PolarHBondContact OD2-N 2.98Å; D130-M168 PolarHBondContact OD1-N 3.07Å |
| 131 | Y | 95.7 | Very high | 93.7 | Very high | 66 Ų | 66 | 51.9 Ų | 51.9 | 26% | 0.259 | 28% | 0.281 | S | S | . | . | trans | -66.7 | 106.3 | 175.2 | 176.4 | -92.8 | 0 | 0 | 0 | 112.9 | P133 H136 Y140 K163 | Y131-P133 HydrophobicContact CE1-CB 3.89Å; Y131-H136 HydrophobicContact CD2-CB 3.86Å; Y131-H136 HydrophobicContact CE2-CB 3.54Å; Y131-Y140 HydrophobicContact CD2-CE1 4.42Å; Y131-Y140 HydrophobicContact CE2-CE1 4.12Å; Y131-K163 HydrophobicContact CD1-CG 3.69Å; Y131-K163 HydrophobicContact CD2-CG 3.71Å; Y131-K163 HydrophobicContact CE1-CD 4.41Å; Y131-K163 HydrophobicContact CE1-CG 3.9Å; Y131-K163 HydrophobicContact CE2-CD 4.27Å; Y131-K163 HydrophobicContact CE2-CG 3.89Å; Y131-K163 HydrophobicContact CG-CB 4.49Å; Y131-K163 HydrophobicContact CG-CG 3.6Å; Y131-K163 WeakPolarHBondContact OH-CE 3.38Å | ||
| 132 | D | 94.1 | Very high | 93.4 | Very high | 59 Ų | 59 | 54.4 Ų | 54.4 | 32% | 0.316 | 30% | 0.298 | S | S | . | . | trans | -93.6 | 121.7 | 165.3 | -175.5 | -24.5 | 0 | 0 | 0 | 111.3 | D130 E134 L135 H136 | D130-D132 PolarHBondContact O-N 3.34Å; D130-D132 VanDerWaalsContact O-N 3.07Å; D132-E134 VanDerWaalsContact C-N 3.33Å; D132-E134 PolarHBondContact O-N 3.32Å; D132-E134 WeakPolarHBondContact OD1-CB 3.37Å; D132-E134 PolarHBondContact OD1-N 3.4Å; D132-L135 HydrophobicContact CB-CB 4.24Å; D132-L135 HydrophobicContact CB-CD1 4.22Å; D132-L135 HydrophobicContact CB-CG 4.31Å; D132-H136 PolarHBondContact N-ND1 2.84Å; D132-H136 VanDerWaalsContact O-CB 3.25Å; D132-H136 WeakPolarHBondContact O-CB 3.17Å; D132-H136 PolarHBondContact O-N 2.83Å; D132-H136 PolarHBondContact O-ND1 2.94Å | ||
| 133 | P | 92.3 | Very high | 92.8 | Very high | 93 Ų | 93 | 58 Ų | 58 | 60% | 0.604 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -14.3 | 178.8 | 31.9 | -36.6 | 0 | 0 | 0 | 115.4 | Y131 | Y131-P133 HydrophobicContact CE1-CB 3.89Š|
| 134 | E | 92.3 | Very high | 92.5 | Very high | 185 Ų | 185 | 59.2 Ų | 59.2 | 86% | 0.864 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -30.5 | 175.7 | -60.7 | -170.2 | -177.2 | 0 | 0 | 111.5 | D132 | D132-E134 VanDerWaalsContact C-N 3.33Å; D132-E134 PolarHBondContact O-N 3.32Å; D132-E134 WeakPolarHBondContact OD1-CB 3.37Å; D132-E134 PolarHBondContact OD1-N 3.4Å |
| 135 | L | 90.1 | Very high | 92.3 | Very high | 134 Ų | 134 | 67.2 Ų | 67.2 | 70% | 0.702 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -36 | 178.1 | -60.2 | 177.5 | 0 | 0 | 0 | 113.3 | D132 G137 | D132-L135 HydrophobicContact CB-CB 4.24Å; D132-L135 HydrophobicContact CB-CD1 4.22Å; D132-L135 HydrophobicContact CB-CG 4.31Å; L135-G137 PolarHBondContact O-N 3.46Å |
| 136 | H | 93.1 | Very high | 92.2 | Very high | 19 Ų | 19 | 67.9 Ų | 67.9 | 9% | 0.088 | 36% | 0.362 | C | S | . | . | trans | -96.8 | 95.4 | -174 | -58.4 | 105.9 | 0 | 0 | 0 | 111.9 | L128 Y131 D132 Y140 | L128-H136 WeakPolarHBondContact CD1-NE2 3.41Å; Y131-H136 HydrophobicContact CD2-CB 3.86Å; Y131-H136 HydrophobicContact CE2-CB 3.54Å; D132-H136 PolarHBondContact N-ND1 2.84Å; D132-H136 VanDerWaalsContact O-CB 3.25Å; D132-H136 WeakPolarHBondContact O-CB 3.17Å; D132-H136 PolarHBondContact O-N 2.83Å; D132-H136 PolarHBondContact O-ND1 2.94Å; H136-Y140 HydrophobicContact CB-CD1 3.8Å; H136-Y140 HydrophobicContact CB-CD2 4.17Å; H136-Y140 HydrophobicContact CB-CE1 3.88Å; H136-Y140 HydrophobicContact CB-CE2 4.24Å; H136-Y140 HydrophobicContact CB-CG 3.93Å; H136-Y140 AromaticContact CD2-CD2 3.33Å; H136-Y140 WeakPolarHBondContact CD2-CD2 3.49Å; H136-Y140 AromaticContact CD2-CE2 3.55Å; H136-Y140 AromaticContact CD2-CG 3.85Å | ||
| 137 | G | 88.4 | Confident | 92.1 | Very high | 51 Ų | 51 | 68.2 Ų | 68.2 | 53% | 0.526 | 37% | 0.365 | S | S | . | . | trans | -66.3 | -163.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L135 D139 Y140 | L135-G137 PolarHBondContact O-N 3.46Å; G137-D139 PolarHBondContact O-N 3.3Å; G137-Y140 VanDerWaalsContact O-CD1 3.24Å; G137-Y140 WeakPolarHBondContact O-CD1 3.47Å | ||
| 138 | M | 86.9 | Confident | 92 | Very high | 168 Ų | 168 | 70.7 Ų | 70.7 | 83% | 0.828 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -19.9 | -173.9 | -68.8 | -174.9 | 66.5 | 0 | 0 | 115.5 | M159 | M138-M159 VanDerWaalsContact O-CE 3.29Å; M138-M159 WeakPolarHBondContact O-CE 3.44Å; M138-M159 VanDerWaalsContact O-SD 3.39Å |
| 139 | D | 90.1 | Very high | 91.8 | Very high | 85 Ų | 85 | 74.8 Ų | 74.8 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 20.9 | -172.9 | -62.8 | -79 | 0 | 0 | 0 | 113.1 | G137 V141 S142 K152 | G137-D139 PolarHBondContact O-N 3.3Å; D139-V141 PolarHBondContact O-N 2.81Å; D139-S142 PolarHBondContact O-N 3.49Å; D139-S142 PolarHBondContact O-OG 2.96Å; D139-K152 IonicContact OD1-NZ 3.49Å; D139-K152 PolarHBondContact OD1-NZ 2.84Å |
| 140 | Y | 93.1 | Very high | 91.7 | Very high | 30 Ų | 30 | 76.2 Ų | 76.2 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.7 | -172.9 | 72.7 | -80.1 | 0 | 0 | 0 | 115.3 | I124 L128 Y131 H136 G137 M159 H162 | I124-Y140 HydrophobicContact CG2-CE2 3.79Å; L128-Y140 HydrophobicContact CD1-CD2 3.8Å; L128-Y140 HydrophobicContact CD1-CE2 4.12Å; Y131-Y140 HydrophobicContact CD2-CE1 4.42Å; Y131-Y140 HydrophobicContact CE2-CE1 4.12Å; H136-Y140 HydrophobicContact CB-CD1 3.8Å; H136-Y140 HydrophobicContact CB-CD2 4.17Å; H136-Y140 HydrophobicContact CB-CE1 3.88Å; H136-Y140 HydrophobicContact CB-CE2 4.24Å; H136-Y140 HydrophobicContact CB-CG 3.93Å; H136-Y140 AromaticContact CD2-CD2 3.33Å; H136-Y140 WeakPolarHBondContact CD2-CD2 3.49Å; H136-Y140 AromaticContact CD2-CE2 3.55Å; H136-Y140 AromaticContact CD2-CG 3.85Å; G137-Y140 VanDerWaalsContact O-CD1 3.24Å; G137-Y140 WeakPolarHBondContact O-CD1 3.47Å; Y140-M159 HydrophobicContact CD1-CG 4.19Å; Y140-M159 HydrophobicContact CD1-SD 3.67Å; Y140-M159 HydrophobicContact CE1-CB 4.24Å; Y140-M159 HydrophobicContact CE1-CG 3.44Å; Y140-M159 VanDerWaalsContact CE1-CG 3.44Å; Y140-M159 HydrophobicContact CE1-SD 3.38Å; Y140-M159 WeakPolarHBondContact CE1-SD 3.43Å; Y140-H162 AromaticContact CE2-ND1 3.62Å; Y140-H162 AromaticContact CZ-ND1 3.62Å; Y140-H162 PolarHBondContact OH-ND1 2.84Å |
| 141 | V | 94.2 | Very high | 91.7 | Very high | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -24 | 178 | 174.5 | 0 | 0 | 0 | 0 | 112.3 | I124 D139 D143 F144 L146 E155 V158 M159 | I124-V141 HydrophobicContact CD1-CG1 4.21Å; I124-V141 HydrophobicContact CD1-CG2 4.2Å; I124-V141 HydrophobicContact CG1-CG1 4.39Å; I124-V141 HydrophobicContact CG1-CG2 4.14Å; D139-V141 PolarHBondContact O-N 2.81Å; V141-D143 PolarHBondContact O-N 3.36Å; V141-D143 VanDerWaalsContact O-N 3.11Å; V141-F144 WeakPolarHBondContact O-CB 3.27Å; V141-F144 PolarHBondContact O-N 3.4Å; V141-L146 HydrophobicContact CG1-CD1 3.67Å; V141-E155 HydrophobicContact CB-CB 4.46Å; V141-E155 HydrophobicContact CG1-CB 4.26Å; V141-E155 HydrophobicContact CG1-CG 4.16Å; V141-V158 HydrophobicContact CG1-CB 4.2Å; V141-V158 HydrophobicContact CG1-CG1 3.76Å; V141-V158 HydrophobicContact CG2-CG1 4.03Å; V141-M159 HydrophobicContact CB-CG 4.18Å; V141-M159 HydrophobicContact CG2-CG 3.38Å; V141-M159 HydrophobicContact CG2-SD 4.23Å |
| 142 | S | 91.6 | Very high | 91.8 | Very high | 53 Ų | 53 | 78.3 Ų | 78.3 | 37% | 0.371 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -18.7 | -172.9 | -44 | 0 | 0 | 0 | 0 | 113.8 | D139 F144 E155 | D139-S142 PolarHBondContact O-N 3.49Å; D139-S142 PolarHBondContact O-OG 2.96Å; S142-F144 PolarHBondContact O-N 2.96Å; S142-E155 WeakPolarHBondContact CA-OE1 3.33Å; S142-E155 VanDerWaalsContact OG-CD 3.3Å; S142-E155 PolarHBondContact OG-OE2 3.13Å |
| 143 | D | 87.3 | Confident | 91.9 | Very high | 98 Ų | 98 | 82 Ų | 82 | 52% | 0.524 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -23 | 172.8 | -117.9 | -36.7 | 0 | 0 | 0 | 113.1 | V141 R329 | V141-D143 PolarHBondContact O-N 3.36Å; V141-D143 VanDerWaalsContact O-N 3.11Å; D143-R329 PolarHBondContact O-NH1 2.67Å; D143-R329 IonicContact OD1-CZ 3.94Å; D143-R329 IonicContact OD1-NH1 3.14Å; D143-R329 PolarHBondContact OD1-NH1 2.82Å |
| 144 | F | 91.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 77.8 Ų | 77.8 | 13% | 0.132 | 41% | 0.406 | C | S | . | . | S | Bend | trans | -94.7 | 128.4 | -178 | -65.4 | -100.8 | 0 | 0 | 0 | 110.9 | I124 E127 L128 V141 S142 L146 Q150 A326 | I124-F144 HydrophobicContact CD1-CB 3.9Å; I124-F144 HydrophobicContact CD1-CD1 3.79Å; I124-F144 HydrophobicContact CD1-CD2 3.43Å; I124-F144 VanDerWaalsContact CD1-CD2 3.43Å; I124-F144 HydrophobicContact CD1-CE1 4.14Å; I124-F144 HydrophobicContact CD1-CE2 3.82Å; I124-F144 HydrophobicContact CD1-CG 3.42Å; I124-F144 VanDerWaalsContact CD1-CG 3.42Å; I124-F144 HydrophobicContact CD1-CZ 4.15Å; E127-F144 HydrophobicContact CB-CE1 3.79Å; E127-F144 HydrophobicContact CB-CZ 4.28Å; E127-F144 HydrophobicContact CG-CE1 4.12Å; L128-F144 HydrophobicContact CD1-CE2 4.12Å; L128-F144 HydrophobicContact CD1-CZ 4.17Å; L128-F144 HydrophobicContact CD2-CE2 4.46Å; L128-F144 HydrophobicContact CD2-CZ 3.92Å; L128-F144 HydrophobicContact CG-CE2 4.44Å; L128-F144 HydrophobicContact CG-CZ 3.99Å; V141-F144 WeakPolarHBondContact O-CB 3.27Å; V141-F144 PolarHBondContact O-N 3.4Å; S142-F144 PolarHBondContact O-N 2.96Å; F144-L146 HydrophobicContact CB-CD2 3.95Å; F144-L146 HydrophobicContact CB-CG 4.13Å; F144-L146 PolarHBondContact O-N 3.16Å; F144-Q150 PolarHBondContact O-NE2 3.42Å; F144-Q150 PolarHBondContact O-OE1 2.98Å; F144-A326 HydrophobicContact CE1-CB 3.92Å; F144-A326 HydrophobicContact CZ-CB 4Å |
| 145 | K | 92.3 | Very high | 92.4 | Very high | 167 Ų | 167 | 69.9 Ų | 69.9 | 73% | 0.726 | 37% | 0.369 | S | S | * | . | trans | -84.4 | 100.9 | 171.8 | -64.3 | 179.2 | -178.8 | 176.7 | 0 | 109.1 | V105 | V105-K145 HydrophobicContact CG1-CB 4.41Å; V105-K145 HydrophobicContact CG2-CB 4.29Å; V105-K145 VanDerWaalsContact CG2-O 3.27Å; V105-K145 WeakPolarHBondContact CG2-O 3.42Å | ||
| 146 | L | 93.6 | Very high | 92.7 | Very high | 15 Ų | 15 | 68.8 Ų | 68.8 | 8% | 0.079 | 36% | 0.36 | C | S | . | . | trans | -102.5 | -27.7 | -177.6 | -55.8 | -179.8 | 0 | 0 | 0 | 112.6 | I104 T123 V141 F144 V158 | I104-L146 WeakPolarHBondContact CG2-O 3.33Å; T123-L146 HydrophobicContact CG2-CD2 3.91Å; V141-L146 HydrophobicContact CG1-CD1 3.67Å; F144-L146 HydrophobicContact CB-CD2 3.95Å; F144-L146 HydrophobicContact CB-CG 4.13Å; F144-L146 PolarHBondContact O-N 3.16Å; L146-V158 HydrophobicContact CD1-CB 4.46Å; L146-V158 HydrophobicContact CD1-CG1 3.99Å; L146-V158 HydrophobicContact CD1-CG2 3.9Å | ||
| 147 | A | 94.2 | Very high | 93 | Very high | 8 Ų | 8 | 71.3 Ų | 71.3 | 7% | 0.066 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -140.4 | 159.8 | -179 | 0 | 0 | 0 | 0 | 0 | 112.5 | L116 N149 L154 | L116-A147 HydrophobicContact CD1-CB 3.99Å; L116-A147 HydrophobicContact CD2-CB 4.17Å; A147-N149 VanDerWaalsContact C-N 3.33Å; A147-N149 PolarHBondContact O-N 3.5Å; A147-L154 HydrophobicContact CB-CD2 3.71Å |
| 148 | P | 90.4 | Very high | 93.4 | Very high | 72 Ų | 72 | 68.9 Ų | 68.9 | 47% | 0.468 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -39.1 | 174.5 | -19.8 | 30 | 0 | 0 | 0 | 113.2 | I104 V105 | I104-P148 WeakPolarHBondContact O-CD 3.48Å; I104-P148 VanDerWaalsContact O-CG 3.28Å; I104-P148 WeakPolarHBondContact O-CG 3.48Å; V105-P148 WeakPolarHBondContact O-CG 3.27Å |
| 149 | N | 88.4 | Confident | 94 | Very high | 145 Ų | 145 | 61.6 Ų | 61.6 | 78% | 0.775 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -123.8 | 79.5 | 179 | -64.5 | -16 | 0 | 0 | 0 | 107.8 | A147 | A147-N149 VanDerWaalsContact C-N 3.33Å; A147-N149 PolarHBondContact O-N 3.5Å |
| 150 | Q | 91.4 | Very high | 94.3 | Very high | 53 Ų | 53 | 62.8 Ų | 62.8 | 25% | 0.248 | 31% | 0.313 | C | S | . | . | trans | -73.8 | 138 | -178.3 | -164.9 | 155.8 | -56.7 | 0 | 0 | 110.8 | F144 L154 E155 | F144-Q150 PolarHBondContact O-NE2 3.42Å; F144-Q150 PolarHBondContact O-OE1 2.98Å; Q150-L154 HydrophobicContact CG-CD2 4.45Å; Q150-E155 HydrophobicContact CG-CG 4.01Å; Q150-E155 WeakPolarHBondContact CG-OE1 3.45Å; Q150-E155 PolarHBondContact NE2-OE1 3.27Å | ||
| 151 | T | 96 | Very high | 94.6 | Very high | 62 Ų | 62 | 63.2 Ų | 63.2 | 38% | 0.38 | 32% | 0.317 | S | S | . | . | trans | -125.6 | 155.2 | 179.9 | 63 | 0 | 0 | 0 | 0 | 110.2 | E153 L154 E155 | T151-E153 VanDerWaalsContact C-N 3.27Å; T151-E153 PolarHBondContact O-N 3.24Å; T151-L154 WeakPolarHBondContact O-CB 3.31Å; T151-L154 PolarHBondContact O-N 3.04Å; T151-L154 PolarHBondContact OG1-N 3.19Å; T151-E155 PolarHBondContact O-N 3.34Å; T151-E155 VanDerWaalsContact O-N 3.07Å | ||
| 152 | K | 96 | Very high | 94.7 | Very high | 117 Ų | 117 | 63.2 Ų | 63.2 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -58.8 | -38.2 | 175.6 | -81.2 | -170.7 | 153.3 | -67.6 | 0 | 112.6 | D139 L154 E155 E156 | D139-K152 IonicContact OD1-NZ 3.49Å; D139-K152 PolarHBondContact OD1-NZ 2.84Å; K152-L154 VanDerWaalsContact C-N 3.25Å; K152-L154 PolarHBondContact O-N 2.63Å; K152-E155 PolarHBondContact O-N 3.31Å; K152-E155 VanDerWaalsContact O-N 3.11Å; K152-E156 WeakPolarHBondContact O-CB 3.39Å; K152-E156 VanDerWaalsContact O-CG 3.3Å; K152-E156 WeakPolarHBondContact O-CG 3.44Å; K152-E156 PolarHBondContact O-N 3.45Å |
| 153 | E | 97.1 | Very high | 95 | Very high | 137 Ų | 137 | 65.5 Ų | 65.5 | 64% | 0.64 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -55.8 | -38.3 | 172.7 | -60.3 | 171.6 | 172.8 | 0 | 0 | 112.8 | F113 T151 K157 | F113-E153 HydrophobicContact CE2-CB 4.29Å; F113-E153 HydrophobicContact CZ-CB 4.21Å; T151-E153 VanDerWaalsContact C-N 3.27Å; T151-E153 PolarHBondContact O-N 3.24Å; E153-K157 WeakPolarHBondContact O-CB 3.36Å; E153-K157 PolarHBondContact O-N 2.91Å; E153-K157 VanDerWaalsContact O-N 3.1Å |
| 154 | L | 97.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 64.4 Ų | 64.4 | 2% | 0.021 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -70.8 | -44.5 | 175.9 | 177.8 | 60.4 | 0 | 0 | 0 | 110.9 | F113 L116 A117 A147 Q150 T151 K152 K157 V158 | F113-L154 HydrophobicContact CD2-CD1 4.41Å; F113-L154 HydrophobicContact CE2-CB 3.79Å; F113-L154 HydrophobicContact CE2-CD1 4.2Å; F113-L154 HydrophobicContact CZ-CB 4.39Å; L116-L154 HydrophobicContact CB-CD1 3.8Å; L116-L154 HydrophobicContact CB-CD2 4.18Å; L116-L154 HydrophobicContact CD1-CD2 4.42Å; A117-L154 HydrophobicContact CB-CD1 3.93Å; A147-L154 HydrophobicContact CB-CD2 3.71Å; Q150-L154 HydrophobicContact CG-CD2 4.45Å; T151-L154 WeakPolarHBondContact O-CB 3.31Å; T151-L154 PolarHBondContact O-N 3.04Å; T151-L154 PolarHBondContact OG1-N 3.19Å; K152-L154 VanDerWaalsContact C-N 3.25Å; K152-L154 PolarHBondContact O-N 2.63Å; L154-K157 PolarHBondContact O-N 3.26Å; L154-V158 HydrophobicContact CD1-CG2 4.31Å; L154-V158 WeakPolarHBondContact O-CB 3.27Å; L154-V158 VanDerWaalsContact O-CG2 3.24Å; L154-V158 WeakPolarHBondContact O-CG2 3.47Å; L154-V158 PolarHBondContact O-N 2.81Å |
| 155 | E | 97.4 | Very high | 95.7 | Very high | 19 Ų | 19 | 64.2 Ų | 64.2 | 9% | 0.089 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 177.9 | -65 | 176.6 | 174.9 | 0 | 0 | 111.2 | V141 S142 Q150 T151 K152 K157 V158 M159 | V141-E155 HydrophobicContact CB-CB 4.46Å; V141-E155 HydrophobicContact CG1-CB 4.26Å; V141-E155 HydrophobicContact CG1-CG 4.16Å; S142-E155 WeakPolarHBondContact CA-OE1 3.33Å; S142-E155 VanDerWaalsContact OG-CD 3.3Å; S142-E155 PolarHBondContact OG-OE2 3.13Å; Q150-E155 HydrophobicContact CG-CG 4.01Å; Q150-E155 WeakPolarHBondContact CG-OE1 3.45Å; Q150-E155 PolarHBondContact NE2-OE1 3.27Å; T151-E155 PolarHBondContact O-N 3.34Å; T151-E155 VanDerWaalsContact O-N 3.07Å; K152-E155 PolarHBondContact O-N 3.31Å; K152-E155 VanDerWaalsContact O-N 3.11Å; E155-K157 PolarHBondContact O-N 3Å; E155-V158 WeakPolarHBondContact O-CB 3.49Å; E155-V158 PolarHBondContact O-N 3.29Å; E155-M159 WeakPolarHBondContact O-CB 3.47Å; E155-M159 VanDerWaalsContact O-CG 3.28Å; E155-M159 WeakPolarHBondContact O-CG 3.23Å; E155-M159 PolarHBondContact O-N 2.87Å |
| 156 | E | 97.3 | Very high | 95.7 | Very high | 112 Ų | 112 | 66.5 Ų | 66.5 | 52% | 0.523 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58.2 | -45.5 | 173.6 | -73.6 | 166.1 | -155 | 0 | 0 | 111.8 | K152 M159 E160 | K152-E156 WeakPolarHBondContact O-CB 3.39Å; K152-E156 VanDerWaalsContact O-CG 3.3Å; K152-E156 WeakPolarHBondContact O-CG 3.44Å; K152-E156 PolarHBondContact O-N 3.45Å; E156-M159 HydrophobicContact CG-CE 4.23Å; E156-M159 PolarHBondContact O-N 3.27Å; E156-E160 PolarHBondContact O-N 3.39Å |
| 157 | K | 98.3 | Very high | 95.7 | Very high | 71 Ų | 71 | 70.6 Ų | 70.6 | 31% | 0.309 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.9 | -36 | 177.3 | -162.7 | 73.4 | -147.5 | 173 | 0 | 112.8 | F113 A117 E153 L154 E155 E160 L161 | F113-K157 HydrophobicContact CE1-CB 4.4Å; F113-K157 HydrophobicContact CE1-CG 4.43Å; F113-K157 HydrophobicContact CZ-CB 4.38Å; A117-K157 HydrophobicContact CB-CB 3.97Å; A117-K157 HydrophobicContact CB-CG 3.66Å; E153-K157 WeakPolarHBondContact O-CB 3.36Å; E153-K157 PolarHBondContact O-N 2.91Å; E153-K157 VanDerWaalsContact O-N 3.1Å; L154-K157 PolarHBondContact O-N 3.26Å; E155-K157 PolarHBondContact O-N 3Å; K157-E160 WeakPolarHBondContact CE-OE2 3.43Å; K157-E160 IonicContact NZ-OE1 3.27Å; K157-E160 PolarHBondContact NZ-OE1 3Å; K157-E160 IonicContact NZ-OE2 3.41Å; K157-E160 PolarHBondContact NZ-OE2 3.31Å; K157-L161 WeakPolarHBondContact O-CG 3.31Å; K157-L161 PolarHBondContact O-N 3.11Å; K157-L161 VanDerWaalsContact O-N 3.12Å |
| 158 | V | 98.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -44.5 | 172 | 168.3 | 0 | 0 | 0 | 0 | 110.6 | A117 I124 V141 L146 L154 E155 L161 H162 | A117-V158 HydrophobicContact CB-CG2 4.49Å; I124-V158 HydrophobicContact CG1-CG1 3.68Å; V141-V158 HydrophobicContact CG1-CB 4.2Å; V141-V158 HydrophobicContact CG1-CG1 3.76Å; V141-V158 HydrophobicContact CG2-CG1 4.03Å; L146-V158 HydrophobicContact CD1-CB 4.46Å; L146-V158 HydrophobicContact CD1-CG1 3.99Å; L146-V158 HydrophobicContact CD1-CG2 3.9Å; L154-V158 HydrophobicContact CD1-CG2 4.31Å; L154-V158 WeakPolarHBondContact O-CB 3.27Å; L154-V158 VanDerWaalsContact O-CG2 3.24Å; L154-V158 WeakPolarHBondContact O-CG2 3.47Å; L154-V158 PolarHBondContact O-N 2.81Å; E155-V158 WeakPolarHBondContact O-CB 3.49Å; E155-V158 PolarHBondContact O-N 3.29Å; V158-L161 PolarHBondContact O-N 3.17Å; V158-H162 WeakPolarHBondContact O-CB 3.37Å; V158-H162 PolarHBondContact O-N 2.85Å |
| 159 | M | 97.6 | Very high | 96 | Very high | 16 Ų | 16 | 72 Ų | 72 | 8% | 0.079 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.9 | -38.4 | 177.9 | -71.4 | -171.9 | -74.5 | 0 | 0 | 112.9 | M138 Y140 V141 E155 E156 K163 | M138-M159 VanDerWaalsContact O-CE 3.29Å; M138-M159 WeakPolarHBondContact O-CE 3.44Å; M138-M159 VanDerWaalsContact O-SD 3.39Å; Y140-M159 HydrophobicContact CD1-CG 4.19Å; Y140-M159 HydrophobicContact CD1-SD 3.67Å; Y140-M159 HydrophobicContact CE1-CB 4.24Å; Y140-M159 HydrophobicContact CE1-CG 3.44Å; Y140-M159 VanDerWaalsContact CE1-CG 3.44Å; Y140-M159 HydrophobicContact CE1-SD 3.38Å; Y140-M159 WeakPolarHBondContact CE1-SD 3.43Å; V141-M159 HydrophobicContact CB-CG 4.18Å; V141-M159 HydrophobicContact CG2-CG 3.38Å; V141-M159 HydrophobicContact CG2-SD 4.23Å; E155-M159 WeakPolarHBondContact O-CB 3.47Å; E155-M159 VanDerWaalsContact O-CG 3.28Å; E155-M159 WeakPolarHBondContact O-CG 3.23Å; E155-M159 PolarHBondContact O-N 2.87Å; E156-M159 HydrophobicContact CG-CE 4.23Å; E156-M159 PolarHBondContact O-N 3.27Å; M159-K163 WeakPolarHBondContact O-CB 3.35Å; M159-K163 WeakPolarHBondContact O-CD 3.28Å; M159-K163 WeakPolarHBondContact O-CG 3.29Å; M159-K163 PolarHBondContact O-N 2.9Å; M159-K163 VanDerWaalsContact O-N 3.09Å |
| 160 | E | 97.5 | Very high | 96.3 | Very high | 109 Ų | 109 | 67.4 Ų | 67.4 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.2 | -46.7 | 174.2 | -171.1 | -160.6 | 126.6 | 0 | 0 | 111.4 | E156 K157 K163 S164 | E156-E160 PolarHBondContact O-N 3.39Å; K157-E160 WeakPolarHBondContact CE-OE2 3.43Å; K157-E160 IonicContact NZ-OE1 3.27Å; K157-E160 PolarHBondContact NZ-OE1 3Å; K157-E160 IonicContact NZ-OE2 3.41Å; K157-E160 PolarHBondContact NZ-OE2 3.31Å; E160-K163 PolarHBondContact O-N 3.32Å; E160-S164 PolarHBondContact O-N 3.35Å |
| 161 | L | 98.3 | Very high | 96.4 | Very high | 40 Ų | 40 | 66.2 Ų | 66.2 | 21% | 0.209 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -68.3 | -40.5 | 178.4 | -70.6 | 171.4 | 0 | 0 | 0 | 112 | A117 S121 K157 V158 K163 S164 | A117-L161 HydrophobicContact CB-CD1 4.05Å; S121-L161 VanDerWaalsContact CB-CB 3.43Å; S121-L161 WeakPolarHBondContact OG-CB 3.38Å; K157-L161 WeakPolarHBondContact O-CG 3.31Å; K157-L161 PolarHBondContact O-N 3.11Å; K157-L161 VanDerWaalsContact O-N 3.12Å; V158-L161 PolarHBondContact O-N 3.17Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-K163 PolarHBondContact O-N 2.95Å; L161-S164 WeakPolarHBondContact O-CB 3.33Å; L161-S164 PolarHBondContact O-N 3Å; L161-S164 PolarHBondContact O-OG 2.92Å |
| 162 | H | 97.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -58.8 | -42.4 | 175.2 | -174.7 | -133.9 | 0 | 0 | 0 | 112 | I124 Q125 G129 Y140 V158 S164 Y165 | I124-H162 HydrophobicContact CG2-CB 4.5Å; Q125-H162 PolarHBondContact OE1-CD2 3.2Å; Q125-H162 VanDerWaalsContact OE1-CD2 3.31Å; G129-H162 PolarHBondContact O-NE2 2.89Å; Y140-H162 AromaticContact CE2-ND1 3.62Å; Y140-H162 AromaticContact CZ-ND1 3.62Å; Y140-H162 PolarHBondContact OH-ND1 2.84Å; V158-H162 WeakPolarHBondContact O-CB 3.37Å; V158-H162 PolarHBondContact O-N 2.85Å; H162-S164 PolarHBondContact O-N 2.65Å; H162-S164 VanDerWaalsContact O-N 3.14Å; H162-Y165 PolarHBondContact O-N 3.44Å |
| 163 | K | 96.9 | Very high | 96.5 | Very high | 100 Ų | 100 | 62.6 Ų | 62.6 | 44% | 0.435 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | -15.4 | 174.5 | -72.8 | 163.9 | -178.2 | 174.4 | 0 | 114.5 | Y131 M159 E160 L161 | Y131-K163 HydrophobicContact CD1-CG 3.69Å; Y131-K163 HydrophobicContact CD2-CG 3.71Å; Y131-K163 HydrophobicContact CE1-CD 4.41Å; Y131-K163 HydrophobicContact CE1-CG 3.9Å; Y131-K163 HydrophobicContact CE2-CD 4.27Å; Y131-K163 HydrophobicContact CE2-CG 3.89Å; Y131-K163 HydrophobicContact CG-CB 4.49Å; Y131-K163 HydrophobicContact CG-CG 3.6Å; Y131-K163 WeakPolarHBondContact OH-CE 3.38Å; M159-K163 WeakPolarHBondContact O-CB 3.35Å; M159-K163 WeakPolarHBondContact O-CD 3.28Å; M159-K163 WeakPolarHBondContact O-CG 3.29Å; M159-K163 PolarHBondContact O-N 2.9Å; M159-K163 VanDerWaalsContact O-N 3.09Å; E160-K163 PolarHBondContact O-N 3.32Å; L161-K163 VanDerWaalsContact C-N 3.32Å; L161-K163 PolarHBondContact O-N 2.95Å |
| 164 | S | 97 | Very high | 96.5 | Very high | 76 Ų | 76 | 56.2 Ų | 56.2 | 53% | 0.531 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -21.7 | 178.4 | 80 | 0 | 0 | 0 | 0 | 113.5 | E160 L161 H162 | E160-S164 PolarHBondContact O-N 3.35Å; L161-S164 WeakPolarHBondContact O-CB 3.33Å; L161-S164 PolarHBondContact O-N 3Å; L161-S164 PolarHBondContact O-OG 2.92Å; H162-S164 PolarHBondContact O-N 2.65Å; H162-S164 VanDerWaalsContact O-N 3.14Å |
| 165 | Y | 96.8 | Very high | 96.4 | Very high | 25 Ų | 25 | 58.7 Ų | 58.7 | 10% | 0.098 | 30% | 0.298 | C | S | . | . | trans | -79.8 | 147 | 178.5 | -52.8 | -37.5 | 0 | 0 | 0 | 110.9 | S121 Y122 Q125 H162 M168 | S121-Y165 PolarHBondContact OG-OH 3.31Å; Y122-Y165 HydrophobicContact CD1-CE2 4.07Å; Y122-Y165 AromaticContact CD1-CZ 3.84Å; Y122-Y165 AromaticContact CE1-CE1 3.97Å; Y122-Y165 HydrophobicContact CE1-CE1 3.97Å; Y122-Y165 HydrophobicContact CE1-CE2 4.31Å; Y122-Y165 AromaticContact CE1-CZ 3.64Å; Y122-Y165 WeakPolarHBondContact CE1-OH 3.43Å; Q125-Y165 HydrophobicContact CB-CD2 3.94Å; Q125-Y165 HydrophobicContact CB-CE2 4.32Å; Q125-Y165 HydrophobicContact CG-CD2 4.04Å; Q125-Y165 VanDerWaalsContact OE1-CB 3.32Å; H162-Y165 PolarHBondContact O-N 3.44Å; Y165-M168 HydrophobicContact CD1-CE 3.69Å; Y165-M168 HydrophobicContact CD1-SD 4.42Å; Y165-M168 HydrophobicContact CD2-SD 4.49Å; Y165-M168 HydrophobicContact CE1-CE 4.12Å; Y165-M168 HydrophobicContact CG-CE 4.05Å; Y165-M168 HydrophobicContact CG-SD 4.29Å | ||
| 166 | R | 91.4 | Very high | 96.5 | Very high | 215 Ų | 215 | 61.6 Ų | 61.6 | 81% | 0.811 | 31% | 0.312 | S | S | * | . | trans | -147.1 | 134 | 175.1 | -65.6 | -174.9 | 178.9 | 159.6 | 1 | 109.4 | M168 | R166-M168 PolarHBondContact O-N 3.45Å; R166-M168 VanDerWaalsContact O-N 3.11Å | ||
| 167 | S | 93.3 | Very high | 96.5 | Very high | 102 Ų | 102 | 56.4 Ų | 56.4 | 71% | 0.713 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 54.7 | 23.6 | -178.6 | -49.3 | 0 | 0 | 0 | 0 | 113.9 | D130 T169 | D130-S167 VanDerWaalsContact CG-N 3.32Å; D130-S167 PolarHBondContact OD1-N 2.9Å; D130-S167 VanDerWaalsContact OD1-N 3.12Å; D130-S167 WeakPolarHBondContact OD2-CA 2.99Å; D130-S167 PolarHBondContact OD2-N 2.98Å; S167-T169 PolarHBondContact O-N 3.07Å |
| 168 | M | 96.6 | Very high | 96.5 | Very high | 42 Ų | 42 | 53 Ų | 53 | 21% | 0.207 | 27% | 0.273 | C | S | . | . | trans | -84.9 | 108.8 | -178.2 | -177.9 | -178.4 | -66.1 | 0 | 0 | 109.2 | Y122 Q125 D130 Y165 R166 Q172 A173 | Y122-M168 HydrophobicContact CD1-SD 4.05Å; Y122-M168 HydrophobicContact CE1-CE 4.21Å; Y122-M168 HydrophobicContact CE1-SD 4.05Å; Q125-M168 HydrophobicContact CG-CB 4.1Å; Q125-M168 HydrophobicContact CG-CG 4.15Å; Q125-M168 HydrophobicContact CG-SD 4.06Å; Q125-M168 PolarHBondContact NE2-O 3.35Å; D130-M168 PolarHBondContact OD1-N 3.07Å; Y165-M168 HydrophobicContact CD1-CE 3.69Å; Y165-M168 HydrophobicContact CD1-SD 4.42Å; Y165-M168 HydrophobicContact CD2-SD 4.49Å; Y165-M168 HydrophobicContact CE1-CE 4.12Å; Y165-M168 HydrophobicContact CG-CE 4.05Å; Y165-M168 HydrophobicContact CG-SD 4.29Å; R166-M168 PolarHBondContact O-N 3.45Å; R166-M168 VanDerWaalsContact O-N 3.11Å; M168-Q172 HydrophobicContact CG-CB 4.13Å; M168-A173 HydrophobicContact CG-CB 4.22Å; M168-A173 HydrophobicContact SD-CB 3.92Å | ||
| 169 | T | 94.8 | Very high | 96.5 | Very high | 67 Ų | 67 | 54.9 Ų | 54.9 | 41% | 0.411 | 28% | 0.281 | S | S | . | . | trans | -66.6 | 152 | -178.3 | 65.7 | 0 | 0 | 0 | 0 | 111.6 | S167 A171 Q172 A173 | S167-T169 PolarHBondContact O-N 3.07Å; T169-A171 PolarHBondContact O-N 2.99Å; T169-A171 VanDerWaalsContact O-N 3.12Å; T169-Q172 WeakPolarHBondContact O-CB 3.47Å; T169-Q172 PolarHBondContact O-N 3.37Å; T169-Q172 VanDerWaalsContact OG1-CD 3.3Å; T169-Q172 WeakPolarHBondContact OG1-CG 3.46Å; T169-Q172 PolarHBondContact OG1-N 2.77Å; T169-Q172 PolarHBondContact OG1-OE1 2.98Å; T169-A173 PolarHBondContact O-N 3.43Å | ||
| 170 | P | 94.7 | Very high | 96.6 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 31% | 0.312 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.5 | -29.1 | 177.3 | -30.2 | 37.4 | 0 | 0 | 0 | 115 | D174 R324 | P170-D174 WeakPolarHBondContact O-CB 3.16Å; P170-D174 VanDerWaalsContact O-CG 3.23Å; P170-D174 PolarHBondContact O-N 2.79Å; P170-R324 VanDerWaalsContact CB-CZ 3.49Å |
| 171 | A | 93.7 | Very high | 96.6 | Very high | 29 Ų | 29 | 50.5 Ų | 50.5 | 24% | 0.24 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.6 | -37 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T169 L175 | T169-A171 PolarHBondContact O-N 2.99Å; T169-A171 VanDerWaalsContact O-N 3.12Å; A171-L175 WeakPolarHBondContact O-CB 3.43Å; A171-L175 PolarHBondContact O-N 2.58Å |
| 172 | Q | 95.9 | Very high | 96.5 | Very high | 102 Ų | 102 | 51.1 Ų | 51.1 | 48% | 0.477 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.7 | -42.3 | 173 | -70.9 | 163 | -52.7 | 0 | 0 | 111.4 | M168 T169 L175 E176 | M168-Q172 HydrophobicContact CG-CB 4.13Å; T169-Q172 WeakPolarHBondContact O-CB 3.47Å; T169-Q172 PolarHBondContact O-N 3.37Å; T169-Q172 VanDerWaalsContact OG1-CD 3.3Å; T169-Q172 WeakPolarHBondContact OG1-CG 3.46Å; T169-Q172 PolarHBondContact OG1-N 2.77Å; T169-Q172 PolarHBondContact OG1-OE1 2.98Å; Q172-L175 PolarHBondContact O-N 3.34Å; Q172-L175 VanDerWaalsContact O-N 3.17Å; Q172-E176 PolarHBondContact O-N 2.87Å |
| 173 | A | 97.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q125 M168 T169 E176 F177 | Q125-A173 HydrophobicContact CB-CB 4.09Å; Q125-A173 HydrophobicContact CG-CB 3.87Å; M168-A173 HydrophobicContact CG-CB 4.22Å; M168-A173 HydrophobicContact SD-CB 3.92Å; T169-A173 PolarHBondContact O-N 3.43Å; A173-E176 PolarHBondContact O-N 2.82Å; A173-F177 WeakPolarHBondContact O-CB 3.3Å; A173-F177 PolarHBondContact O-N 3.42Å |
| 174 | D | 97.2 | Very high | 96.5 | Very high | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.7 | -40.3 | 171 | -76 | -6.7 | 0 | 0 | 0 | 112 | S126 P170 F177 L178 R324 | S126-D174 WeakPolarHBondContact CB-OD1 3.4Å; S126-D174 PolarHBondContact OG-OD1 3.46Å; P170-D174 WeakPolarHBondContact O-CB 3.16Å; P170-D174 VanDerWaalsContact O-CG 3.23Å; P170-D174 PolarHBondContact O-N 2.79Å; D174-F177 WeakPolarHBondContact O-CB 3.39Å; D174-F177 PolarHBondContact O-N 3.39Å; D174-L178 WeakPolarHBondContact O-CG 3.5Å; D174-L178 PolarHBondContact O-N 3.19Å; D174-R324 VanDerWaalsContact CG-NH1 3.28Å; D174-R324 IonicContact OD1-CZ 2.69Å; D174-R324 IonicContact OD1-NH1 2.74Å; D174-R324 PolarHBondContact OD1-NH1 3.28Å; D174-R324 IonicContact OD2-CZ 3.08Å; D174-R324 VanDerWaalsContact OD2-CZ 3.23Å; D174-R324 IonicContact OD2-NH1 3.14Å; D174-R324 PolarHBondContact OD2-NH1 3.39Å; D174-R324 IonicContact OD2-NH2 2.75Å; D174-R324 PolarHBondContact OD2-NH2 3.12Å |
| 175 | L | 96.7 | Very high | 96.3 | Very high | 57 Ų | 57 | 54.5 Ų | 54.5 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -46.5 | 177.1 | -177.6 | 61.8 | 0 | 0 | 0 | 111.6 | A85 A171 Q172 F177 L178 E179 | A85-L175 HydrophobicContact CB-CD1 4.19Å; A171-L175 WeakPolarHBondContact O-CB 3.43Å; A171-L175 PolarHBondContact O-N 2.58Å; Q172-L175 PolarHBondContact O-N 3.34Å; Q172-L175 VanDerWaalsContact O-N 3.17Å; L175-F177 VanDerWaalsContact C-N 3.35Å; L175-F177 PolarHBondContact O-N 2.96Å; L175-L178 WeakPolarHBondContact O-CB 3.5Å; L175-L178 PolarHBondContact O-N 3.27Å; L175-L178 VanDerWaalsContact O-N 3.1Å; L175-E179 HydrophobicContact CD1-CG 4.44Å; L175-E179 HydrophobicContact CG-CG 4.47Å; L175-E179 WeakPolarHBondContact O-CG 3.38Å; L175-E179 PolarHBondContact O-N 2.9Å |
| 176 | E | 98.1 | Very high | 96.3 | Very high | 79 Ų | 79 | 54.9 Ų | 54.9 | 37% | 0.369 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 176.7 | -75.7 | -60.5 | 153.7 | 0 | 0 | 112.9 | Y122 Q172 A173 L178 E179 N180 | Y122-E176 HydrophobicContact CD1-CB 3.97Å; Y122-E176 HydrophobicContact CD2-CB 4.21Å; Y122-E176 HydrophobicContact CE1-CB 3.59Å; Y122-E176 HydrophobicContact CE1-CG 4.19Å; Y122-E176 HydrophobicContact CE2-CB 3.85Å; Y122-E176 HydrophobicContact CG-CB 4.28Å; Q172-E176 PolarHBondContact O-N 2.87Å; A173-E176 PolarHBondContact O-N 2.82Å; E176-L178 VanDerWaalsContact C-N 3.32Å; E176-L178 PolarHBondContact O-N 3.34Å; E176-E179 PolarHBondContact O-N 3.02Å; E176-N180 PolarHBondContact O-N 3.34Å; E176-N180 VanDerWaalsContact O-N 3.11Å; E176-N180 PolarHBondContact O-ND2 3.14Å |
| 177 | F | 98.6 | Very high | 96.6 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 1% | 0.013 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.3 | -48.2 | 168.8 | 178.1 | -77.5 | 0 | 0 | 0 | 110.6 | C97 L100 R101 I104 L119 T123 A173 D174 L175 N180 A181 | C97-F177 HydrophobicContact CB-CD1 4.22Å; C97-F177 HydrophobicContact CB-CE1 4.34Å; L100-F177 HydrophobicContact CB-CE1 3.8Å; L100-F177 HydrophobicContact CB-CZ 4.18Å; L100-F177 HydrophobicContact CD1-CE1 4.1Å; R101-F177 HydrophobicContact CG-CE2 4.03Å; R101-F177 HydrophobicContact CG-CZ 3.87Å; I104-F177 HydrophobicContact CD1-CZ 4.27Å; L119-F177 HydrophobicContact CB-CD2 3.95Å; L119-F177 HydrophobicContact CB-CE2 3.74Å; L119-F177 HydrophobicContact CD2-CB 4.46Å; L119-F177 HydrophobicContact CD2-CD2 3.8Å; L119-F177 HydrophobicContact CD2-CE2 4.1Å; L119-F177 HydrophobicContact CD2-CG 4Å; L119-F177 VanDerWaalsContact CD2-O 3.3Å; L119-F177 WeakPolarHBondContact CD2-O 3.46Å; L119-F177 HydrophobicContact CG-CD2 4.44Å; L119-F177 HydrophobicContact CG-CE2 4.36Å; L119-F177 WeakPolarHBondContact O-CD2 3.28Å; T123-F177 WeakPolarHBondContact OG1-CE2 3.45Å; A173-F177 WeakPolarHBondContact O-CB 3.3Å; A173-F177 PolarHBondContact O-N 3.42Å; D174-F177 WeakPolarHBondContact O-CB 3.39Å; D174-F177 PolarHBondContact O-N 3.39Å; L175-F177 VanDerWaalsContact C-N 3.35Å; L175-F177 PolarHBondContact O-N 2.96Å; F177-N180 PolarHBondContact O-N 2.79Å; F177-A181 HydrophobicContact CD1-CB 4.37Å; F177-A181 HydrophobicContact CE1-CB 4.15Å; F177-A181 VanDerWaalsContact O-CB 3.23Å; F177-A181 WeakPolarHBondContact O-CB 3.27Å; F177-A181 PolarHBondContact O-N 3.04Å |
| 178 | L | 98.5 | Very high | 96.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.1 | -40.5 | -178.8 | -69.2 | 170.2 | 0 | 0 | 0 | 112.9 | P84 R93 L96 C97 L100 D174 L175 E176 N180 A181 K182 | P84-L178 HydrophobicContact CB-CB 3.88Å; P84-L178 HydrophobicContact CB-CD1 3.96Å; P84-L178 HydrophobicContact CB-CG 4.33Å; P84-L178 HydrophobicContact CG-CB 4.09Å; R93-L178 HydrophobicContact CB-CD1 3.75Å; R93-L178 HydrophobicContact CG-CD1 3.8Å; L96-L178 HydrophobicContact CB-CD2 4.18Å; L96-L178 HydrophobicContact CD2-CD1 4.33Å; L96-L178 HydrophobicContact CD2-CD2 3.67Å; L96-L178 HydrophobicContact CG-CD2 3.6Å; C97-L178 VanDerWaalsContact SG-CG 3.58Å; L100-L178 HydrophobicContact CD1-CD2 3.49Å; L100-L178 VanDerWaalsContact CD1-CD2 3.49Å; D174-L178 WeakPolarHBondContact O-CG 3.5Å; D174-L178 PolarHBondContact O-N 3.19Å; L175-L178 WeakPolarHBondContact O-CB 3.5Å; L175-L178 PolarHBondContact O-N 3.27Å; L175-L178 VanDerWaalsContact O-N 3.1Å; E176-L178 VanDerWaalsContact C-N 3.32Å; E176-L178 PolarHBondContact O-N 3.34Å; L178-N180 PolarHBondContact O-N 3.11Å; L178-A181 PolarHBondContact O-N 3.28Å; L178-K182 WeakPolarHBondContact O-CB 3.22Å; L178-K182 PolarHBondContact O-N 3.18Å |
| 179 | E | 97.8 | Very high | 96.7 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 18% | 0.182 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61.1 | -30.1 | 175.5 | -77.4 | -53.2 | 112 | 0 | 0 | 112.3 | L175 E176 K182 K183 | L175-E179 HydrophobicContact CD1-CG 4.44Å; L175-E179 HydrophobicContact CG-CG 4.47Å; L175-E179 WeakPolarHBondContact O-CG 3.38Å; L175-E179 PolarHBondContact O-N 2.9Å; E176-E179 PolarHBondContact O-N 3.02Å; E179-K182 WeakPolarHBondContact OE1-CE 3.48Å; E179-K182 IonicContact OE1-NZ 2.82Å; E179-K182 PolarHBondContact OE1-NZ 2.83Å; E179-K182 WeakPolarHBondContact OE2-CE 3.42Å; E179-K182 IonicContact OE2-NZ 2.74Å; E179-K182 PolarHBondContact OE2-NZ 2.99Å; E179-K183 WeakPolarHBondContact O-CD 3.35Å; E179-K183 WeakPolarHBondContact O-CE 3.25Å; E179-K183 WeakPolarHBondContact O-CG 3.39Å; E179-K183 PolarHBondContact O-NZ 3.08Å |
| 180 | N | 98.4 | Very high | 96.7 | Very high | 34 Ų | 34 | 39 Ų | 39 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -90.1 | -36.8 | 175.4 | -69.9 | -64.4 | 0 | 0 | 0 | 112.7 | L119 E176 F177 L178 K182 K183 | L119-N180 HydrophobicContact CD2-CB 3.97Å; E176-N180 PolarHBondContact O-N 3.34Å; E176-N180 VanDerWaalsContact O-N 3.11Å; E176-N180 PolarHBondContact O-ND2 3.14Å; F177-N180 PolarHBondContact O-N 2.79Å; L178-N180 PolarHBondContact O-N 3.11Å; N180-K182 PolarHBondContact O-N 2.9Å; N180-K183 WeakPolarHBondContact O-CB 3.44Å; N180-K183 PolarHBondContact O-N 3.07Å; N180-K183 PolarHBondContact OD1-NZ 3.38Å |
| 181 | A | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -65.6 | -36.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | L100 L119 F177 L178 K183 L184 | L100-A181 HydrophobicContact CD1-CB 4.11Å; L119-A181 HydrophobicContact CD1-CB 4.46Å; L119-A181 HydrophobicContact CD2-CB 4.4Å; F177-A181 HydrophobicContact CD1-CB 4.37Å; F177-A181 HydrophobicContact CE1-CB 4.15Å; F177-A181 VanDerWaalsContact O-CB 3.23Å; F177-A181 WeakPolarHBondContact O-CB 3.27Å; F177-A181 PolarHBondContact O-N 3.04Å; L178-A181 PolarHBondContact O-N 3.28Å; A181-K183 PolarHBondContact O-N 3.09Å; A181-K183 VanDerWaalsContact O-N 3.14Å; A181-L184 WeakPolarHBondContact O-CB 3.32Å; A181-L184 PolarHBondContact O-N 3.41Å; A181-L184 VanDerWaalsContact O-N 3.11Å |
| 182 | K | 97.3 | Very high | 96.8 | Very high | 53 Ų | 53 | 39.6 Ų | 39.6 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -18.6 | 179.5 | 81.9 | -173.2 | -169.2 | -170.3 | 0 | 114 | D83 P84 L178 E179 N180 L184 Y187 | D83-K182 IonicContact OD1-NZ 3.95Å; D83-K182 PolarHBondContact OD1-NZ 2.99Å; P84-K182 VanDerWaalsContact CD-CD 3.45Å; P84-K182 HydrophobicContact CG-CB 4.44Å; P84-K182 HydrophobicContact CG-CD 4.34Å; L178-K182 WeakPolarHBondContact O-CB 3.22Å; L178-K182 PolarHBondContact O-N 3.18Å; E179-K182 WeakPolarHBondContact OE1-CE 3.48Å; E179-K182 IonicContact OE1-NZ 2.82Å; E179-K182 PolarHBondContact OE1-NZ 2.83Å; E179-K182 WeakPolarHBondContact OE2-CE 3.42Å; E179-K182 IonicContact OE2-NZ 2.74Å; E179-K182 PolarHBondContact OE2-NZ 2.99Å; N180-K182 PolarHBondContact O-N 2.9Å; K182-L184 VanDerWaalsContact C-N 3.34Å; K182-Y187 HydrophobicContact CB-CD1 4.4Å; K182-Y187 HydrophobicContact CB-CE1 4.16Å; K182-Y187 HydrophobicContact CB-CE2 4.33Å |
| 183 | K | 96.9 | Very high | 96.8 | Very high | 139 Ų | 139 | 42.6 Ų | 42.6 | 60% | 0.604 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.7 | -13 | 178.2 | -58.8 | 171 | 179.8 | 117.7 | 0 | 112.8 | E179 N180 A181 | E179-K183 WeakPolarHBondContact O-CD 3.35Å; E179-K183 WeakPolarHBondContact O-CE 3.25Å; E179-K183 WeakPolarHBondContact O-CG 3.39Å; E179-K183 PolarHBondContact O-NZ 3.08Å; N180-K183 WeakPolarHBondContact O-CB 3.44Å; N180-K183 PolarHBondContact O-N 3.07Å; N180-K183 PolarHBondContact OD1-NZ 3.38Å; A181-K183 PolarHBondContact O-N 3.09Å; A181-K183 VanDerWaalsContact O-N 3.14Å |
| 184 | L | 96.6 | Very high | 96.7 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | S | Bend | trans | -74 | 140.1 | -176.2 | -69.4 | 168.4 | 0 | 0 | 0 | 112.7 | L109 C111 T115 L119 A181 K182 M186 Y187 | L109-L184 HydrophobicContact CD1-CB 3.73Å; L109-L184 HydrophobicContact CD1-CD1 3.81Å; L109-L184 HydrophobicContact CD1-CG 4.4Å; L109-L184 HydrophobicContact CD2-CD1 3.98Å; L109-L184 HydrophobicContact CG-CD1 3.8Å; C111-L184 WeakPolarHBondContact SG-CD1 3.4Å; T115-L184 HydrophobicContact CG2-CD2 4.19Å; L119-L184 HydrophobicContact CD1-CD1 4.25Å; A181-L184 WeakPolarHBondContact O-CB 3.32Å; A181-L184 PolarHBondContact O-N 3.41Å; A181-L184 VanDerWaalsContact O-N 3.11Å; K182-L184 VanDerWaalsContact C-N 3.34Å; L184-M186 PolarHBondContact O-N 3.05Å; L184-Y187 VanDerWaalsContact O-CB 3.27Å; L184-Y187 WeakPolarHBondContact O-CB 3.48Å; L184-Y187 PolarHBondContact O-N 2.9Å |
| 185 | S | 93.1 | Very high | 96.7 | Very high | 80 Ų | 80 | 46 Ų | 46 | 56% | 0.559 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | -13.3 | -172.4 | 59.7 | 0 | 0 | 0 | 0 | 115.8 | Y214 | S185-Y214 PolarHBondContact O-OH 2.97Š|
| 186 | M | 96.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 45.2 Ų | 45.2 | 16% | 0.158 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.5 | 5.7 | 178 | -54.5 | -55.9 | -64.4 | 0 | 0 | 112.9 | L109 P110 L184 G188 V189 L191 Y214 | L109-M186 HydrophobicContact CD1-CB 4.02Å; P110-M186 HydrophobicContact CG-CG 4.26Å; L184-M186 PolarHBondContact O-N 3.05Å; M186-G188 PolarHBondContact O-N 3.17Å; M186-G188 VanDerWaalsContact O-N 3.14Å; M186-V189 HydrophobicContact CE-CB 4.42Å; M186-V189 HydrophobicContact CE-CG1 4.39Å; M186-V189 PolarHBondContact O-N 3.04Å; M186-L191 HydrophobicContact CE-CD1 3.86Å; M186-L191 HydrophobicContact CE-CD2 3.84Å; M186-L191 HydrophobicContact CE-CG 4.31Å; M186-Y214 HydrophobicContact CE-CE1 4.2Å; M186-Y214 HydrophobicContact SD-CE1 3.62Å; M186-Y214 PolarHBondContact SD-OH 2.93Å |
| 187 | Y | 97.8 | Very high | 96.2 | Very high | 18 Ų | 18 | 48.2 Ų | 48.2 | 7% | 0.071 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 117.8 | 178.8 | 173.7 | -97.9 | 0 | 0 | 0 | 111 | Y80 P81 L100 K182 L184 V189 | Y80-Y187 HydrophobicContact CD1-CE2 4.36Å; P81-Y187 WeakPolarHBondContact O-CE1 3.47Å; P81-Y187 PolarHBondContact O-OH 3.13Å; L100-Y187 HydrophobicContact CD1-CE2 3.95Å; L100-Y187 HydrophobicContact CD2-CD2 3.77Å; L100-Y187 HydrophobicContact CD2-CE2 3.81Å; K182-Y187 HydrophobicContact CB-CD1 4.4Å; K182-Y187 HydrophobicContact CB-CE1 4.16Å; K182-Y187 HydrophobicContact CB-CE2 4.33Å; L184-Y187 VanDerWaalsContact O-CB 3.27Å; L184-Y187 WeakPolarHBondContact O-CB 3.48Å; L184-Y187 PolarHBondContact O-N 2.9Å; Y187-V189 VanDerWaalsContact C-N 3.28Å; Y187-V189 PolarHBondContact O-N 3.3Å |
| 188 | G | 96.3 | Very high | 95.8 | Very high | 10 Ų | 10 | 56.3 Ų | 56.3 | 10% | 0.103 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.5 | 27.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y80 M186 C207 | Y80-G188 VanDerWaalsContact CD2-CA 3.4Å; Y80-G188 VanDerWaalsContact CG-CA 3.43Å; M186-G188 PolarHBondContact O-N 3.17Å; M186-G188 VanDerWaalsContact O-N 3.14Å; G188-C207 VanDerWaalsContact O-CB 3.32Å; G188-C207 WeakPolarHBondContact O-CB 3.42Å |
| 189 | V | 96.5 | Very high | 95.5 | Very high | 23 Ų | 23 | 57.8 Ų | 57.8 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | trans | -95.8 | 108.1 | 178.8 | -174.7 | 0 | 0 | 0 | 0 | 111 | M186 Y187 L191 V206 C207 L212 Y214 | M186-V189 HydrophobicContact CE-CB 4.42Å; M186-V189 HydrophobicContact CE-CG1 4.39Å; M186-V189 PolarHBondContact O-N 3.04Å; Y187-V189 VanDerWaalsContact C-N 3.28Å; Y187-V189 PolarHBondContact O-N 3.3Å; V189-L191 HydrophobicContact CG1-CD2 3.67Å; V189-L191 HydrophobicContact CG1-CG 4.41Å; V189-V206 WeakPolarHBondContact CA-O 3.19Å; V189-C207 HydrophobicContact CG2-CB 4.07Å; V189-L212 HydrophobicContact CG1-CD1 4.16Å; V189-L212 HydrophobicContact CG2-CD1 3.89Å; V189-Y214 HydrophobicContact CG1-CE2 4.33Å | ||
| 190 | D | 95.1 | Very high | 95.4 | Very high | 42 Ų | 42 | 58.1 Ų | 58.1 | 23% | 0.225 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 127.3 | 171.5 | -174.6 | 34.8 | 0 | 0 | 0 | 110.6 | H192 G205 V206 V270 | D190-H192 IonicContact OD1-NE2 2.87Å; D190-H192 IonicContact OD2-CD2 2.67Å; D190-H192 IonicContact OD2-CE1 3.86Å; D190-H192 PolarHBondContact OD2-CE1 3.13Å; D190-H192 IonicContact OD2-NE2 3.38Å; D190-H192 PolarHBondContact OD2-NE2 3.32Å; D190-G205 CarbonylContact O-C 3.6Å; D190-G205 WeakPolarHBondContact O-CA 3.31Å; D190-V206 PolarHBondContact N-O 3.08Å; D190-V206 PolarHBondContact O-N 3Å; D190-V270 HydrophobicContact CB-CG1 4.44Å; D190-V270 WeakPolarHBondContact OD2-CG1 3.41Å |
| 191 | L | 94.8 | Very high | 95.4 | Very high | 79 Ų | 79 | 61.6 Ų | 61.6 | 41% | 0.414 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 125.3 | -165.4 | -65.3 | 175.8 | 0 | 0 | 0 | 113.4 | M186 V189 I203 Y214 | M186-L191 HydrophobicContact CE-CD1 3.86Å; M186-L191 HydrophobicContact CE-CD2 3.84Å; M186-L191 HydrophobicContact CE-CG 4.31Å; V189-L191 HydrophobicContact CG1-CD2 3.67Å; V189-L191 HydrophobicContact CG1-CG 4.41Å; L191-I203 HydrophobicContact CB-CG2 3.85Å; L191-I203 HydrophobicContact CD2-CG2 3.76Å; L191-I203 HydrophobicContact CG-CG2 4.28Å; L191-Y214 HydrophobicContact CD2-CE2 4.32Å |
| 192 | H | 95.2 | Very high | 95.3 | Very high | 11 Ų | 11 | 62 Ų | 62 | 5% | 0.051 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 119.2 | -177.7 | -62 | -100 | 0 | 0 | 0 | 110.5 | D190 A194 L204 L258 L267 | D190-H192 IonicContact OD1-NE2 2.87Å; D190-H192 IonicContact OD2-CD2 2.67Å; D190-H192 IonicContact OD2-CE1 3.86Å; D190-H192 PolarHBondContact OD2-CE1 3.13Å; D190-H192 IonicContact OD2-NE2 3.38Å; D190-H192 PolarHBondContact OD2-NE2 3.32Å; H192-A194 PolarHBondContact O-N 2.9Å; H192-L204 PolarHBondContact N-O 3.13Å; H192-L204 PolarHBondContact O-N 3.14Å; H192-L258 HydrophobicContact CB-CD2 4.48Å; H192-L267 HydrophobicContact CB-CD1 4.17Å |
| 193 | K | 95.4 | Very high | 95.3 | Very high | 164 Ų | 164 | 62.3 Ų | 62.3 | 71% | 0.713 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 132.1 | 174.6 | -63.8 | -172.4 | 179.4 | -172.8 | 0 | 110.6 | P259 | K193-P259 VanDerWaalsContact O-CD 3.29Å; K193-P259 WeakPolarHBondContact O-CD 3.23Å |
| 194 | A | 97 | Very high | 95.3 | Very high | 4 Ų | 4 | 55.8 Ų | 55.8 | 3% | 0.033 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 176.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | H192 I202 L204 K257 L258 | H192-A194 PolarHBondContact O-N 2.9Å; A194-I202 HydrophobicContact CB-CD1 4.35Å; A194-I202 HydrophobicContact CB-CG1 4.09Å; A194-I202 PolarHBondContact N-O 3.34Å; A194-I202 WeakPolarHBondContact O-CG1 3.39Å; A194-I202 PolarHBondContact O-N 3.17Å; A194-L204 HydrophobicContact CB-CD1 3.82Å; A194-L204 HydrophobicContact CB-CG 4.03Å; A194-K257 CarbonylContact C-O 3.6Å; A194-K257 WeakPolarHBondContact CA-O 2.87Å; A194-L258 HydrophobicContact CB-CD1 4.47Å; A194-L258 HydrophobicContact CB-CG 4.03Å |
| 195 | K | 97.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 54.4 Ų | 54.4 | 31% | 0.313 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 157.8 | 161.4 | -70.8 | 170.7 | 172.6 | -69.3 | 0 | 109.2 | G199 V200 D201 F256 K257 | K195-G199 VanDerWaalsContact CD-O 3.29Å; K195-G199 WeakPolarHBondContact CD-O 3.46Å; K195-G199 WeakPolarHBondContact CG-O 3.47Å; K195-G199 PolarHBondContact NZ-O 3.22Å; K195-V200 WeakPolarHBondContact CA-O 3.22Å; K195-V200 WeakPolarHBondContact CB-O 3.37Å; K195-D201 WeakPolarHBondContact CE-OD1 3.46Å; K195-D201 WeakPolarHBondContact CG-OD1 3.48Å; K195-D201 IonicContact NZ-OD1 2.85Å; K195-D201 PolarHBondContact NZ-OD1 3.35Å; K195-D201 IonicContact NZ-OD2 2.63Å; K195-D201 PolarHBondContact NZ-OD2 3.25Å; K195-F256 CarbonylContact O-C 3.5Å; K195-F256 WeakPolarHBondContact O-CA 3.26Å; K195-K257 HydrophobicContact CB-CB 4.21Å; K195-K257 PolarHBondContact N-O 3.27Å; K195-K257 PolarHBondContact O-N 3.26Å |
| 196 | D | 94.1 | Very high | 95.6 | Very high | 40 Ų | 40 | 50.6 Ų | 50.6 | 21% | 0.214 | 26% | 0.263 | C | S | . | . | trans | -78.9 | -159.4 | 168.7 | 58.5 | 22.1 | 0 | 0 | 0 | 111.9 | E198 G199 V200 I202 | D196-E198 PolarHBondContact OD1-N 3Å; D196-G199 PolarHBondContact OD1-N 3.45Å; D196-V200 PolarHBondContact N-O 2.96Å; D196-V200 PolarHBondContact OD1-N 3.08Å; D196-V200 WeakPolarHBondContact OD2-CB 3.44Å; D196-I202 HydrophobicContact CB-CD1 4.29Å | ||
| 197 | L | 88.3 | Confident | 95.6 | Very high | 141 Ų | 141 | 49.5 Ų | 49.5 | 74% | 0.738 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -77.7 | -26.1 | 176.8 | -64.2 | 179.1 | 0 | 0 | 0 | 113.1 | G255 | L197-G255 WeakPolarHBondContact CD2-O 3.37Š|
| 198 | E | 90.9 | Very high | 95.5 | Very high | 173 Ų | 173 | 49.7 Ų | 49.7 | 81% | 0.808 | 26% | 0.262 | S | S | * | . | S | Bend | trans | -83.5 | -18.7 | 178.4 | -65.1 | 174.9 | -163.1 | 0 | 0 | 111.5 | D196 V200 | D196-E198 PolarHBondContact OD1-N 3Å; E198-V200 HydrophobicContact CB-CG2 4.32Å |
| 199 | G | 93.1 | Very high | 95.5 | Very high | 32 Ų | 32 | 51.2 Ų | 51.2 | 33% | 0.33 | 27% | 0.271 | S | S | . | . | trans | 99.9 | 7.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K195 D196 | K195-G199 VanDerWaalsContact CD-O 3.29Å; K195-G199 WeakPolarHBondContact CD-O 3.46Å; K195-G199 WeakPolarHBondContact CG-O 3.47Å; K195-G199 PolarHBondContact NZ-O 3.22Å; D196-G199 PolarHBondContact OD1-N 3.45Å | ||
| 200 | V | 95.6 | Very high | 95.4 | Very high | 45 Ų | 45 | 50.1 Ų | 50.1 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | trans | -69.6 | 134.8 | 177.3 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | K195 D196 E198 K215 | K195-V200 WeakPolarHBondContact CA-O 3.22Å; K195-V200 WeakPolarHBondContact CB-O 3.37Å; D196-V200 PolarHBondContact N-O 2.96Å; D196-V200 PolarHBondContact OD1-N 3.08Å; D196-V200 WeakPolarHBondContact OD2-CB 3.44Å; E198-V200 HydrophobicContact CB-CG2 4.32Å; V200-K215 HydrophobicContact CG1-CD 4.24Å | ||
| 201 | D | 97.1 | Very high | 95.6 | Very high | 108 Ų | 108 | 48.1 Ų | 48.1 | 58% | 0.578 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 130.1 | 178 | -69.1 | -71.5 | 0 | 0 | 0 | 111.8 | K195 | K195-D201 WeakPolarHBondContact CE-OD1 3.46Å; K195-D201 WeakPolarHBondContact CG-OD1 3.48Å; K195-D201 IonicContact NZ-OD1 2.85Å; K195-D201 PolarHBondContact NZ-OD1 3.35Å; K195-D201 IonicContact NZ-OD2 2.63Å; K195-D201 PolarHBondContact NZ-OD2 3.25Å |
| 202 | I | 97.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 44.6 Ų | 44.6 | 4% | 0.041 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 168.2 | -176.8 | 58.1 | 165.6 | 0 | 0 | 0 | 110.3 | A194 D196 L204 V213 Y214 K215 F256 | A194-I202 HydrophobicContact CB-CD1 4.35Å; A194-I202 HydrophobicContact CB-CG1 4.09Å; A194-I202 PolarHBondContact N-O 3.34Å; A194-I202 WeakPolarHBondContact O-CG1 3.39Å; A194-I202 PolarHBondContact O-N 3.17Å; D196-I202 HydrophobicContact CB-CD1 4.29Å; I202-L204 HydrophobicContact CD1-CD2 4.15Å; I202-L204 HydrophobicContact CD1-CG 4.5Å; I202-V213 HydrophobicContact CB-CG1 4.4Å; I202-V213 HydrophobicContact CD1-CG1 3.99Å; I202-Y214 WeakPolarHBondContact CA-O 3.48Å; I202-Y214 WeakPolarHBondContact CB-O 3.39Å; I202-K215 HydrophobicContact CG2-CB 4.35Å; I202-F256 HydrophobicContact CD1-CD1 3.49Å; I202-F256 VanDerWaalsContact CD1-CD1 3.49Å; I202-F256 HydrophobicContact CD1-CE1 3.72Å |
| 203 | I | 96.8 | Very high | 95.7 | Very high | 60 Ų | 60 | 44.3 Ų | 44.3 | 31% | 0.308 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 125.5 | 171.9 | -50.9 | 177.6 | 0 | 0 | 0 | 108.6 | L191 Y214 | L191-I203 HydrophobicContact CB-CG2 3.85Å; L191-I203 HydrophobicContact CD2-CG2 3.76Å; L191-I203 HydrophobicContact CG-CG2 4.28Å; I203-Y214 PolarHBondContact N-O 2.87Å; I203-Y214 PolarHBondContact O-N 3.46Å |
| 204 | L | 97.3 | Very high | 95.8 | Very high | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 119.3 | 172.5 | -62.6 | 175.4 | 0 | 0 | 0 | 108.6 | H192 A194 I202 L212 V213 F238 F256 L267 | H192-L204 PolarHBondContact N-O 3.13Å; H192-L204 PolarHBondContact O-N 3.14Å; A194-L204 HydrophobicContact CB-CD1 3.82Å; A194-L204 HydrophobicContact CB-CG 4.03Å; I202-L204 HydrophobicContact CD1-CD2 4.15Å; I202-L204 HydrophobicContact CD1-CG 4.5Å; L204-L212 CarbonylContact C-O 3.56Å; L204-L212 WeakPolarHBondContact CA-O 3.41Å; L204-V213 HydrophobicContact CD2-CB 4.4Å; L204-V213 HydrophobicContact CD2-CG1 4.15Å; L204-V213 HydrophobicContact CD2-CG2 3.87Å; L204-F238 HydrophobicContact CD1-CD1 4.45Å; L204-F256 HydrophobicContact CD1-CB 3.92Å; L204-F256 HydrophobicContact CD1-CD1 4.43Å; L204-F256 HydrophobicContact CD1-CD2 4.07Å; L204-F256 HydrophobicContact CD1-CG 3.88Å; L204-F256 HydrophobicContact CD2-CD1 4.12Å; L204-F256 HydrophobicContact CD2-CD2 4.28Å; L204-F256 HydrophobicContact CD2-CE1 4.03Å; L204-F256 HydrophobicContact CD2-CE2 4.2Å; L204-F256 HydrophobicContact CD2-CG 4.23Å; L204-F256 HydrophobicContact CD2-CZ 4.06Å; L204-L267 HydrophobicContact CB-CD2 4.47Å; L204-L267 HydrophobicContact CD1-CD2 3.57Å |
| 205 | G | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 143.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | D190 L211 L212 | D190-G205 CarbonylContact O-C 3.6Å; D190-G205 WeakPolarHBondContact O-CA 3.31Å; G205-L211 CarbonylContact O-C 3.5Å; G205-L211 WeakPolarHBondContact O-CA 3.4Å; G205-L212 PolarHBondContact N-O 3.24Å; G205-L212 PolarHBondContact O-N 3.32Å |
| 206 | V | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 129.9 | 171.5 | -168.5 | 0 | 0 | 0 | 0 | 108.7 | V189 D190 W225 L267 V270 C271 H274 | V189-V206 WeakPolarHBondContact CA-O 3.19Å; D190-V206 PolarHBondContact N-O 3.08Å; D190-V206 PolarHBondContact O-N 3Å; V206-W225 HydrophobicContact CG1-CH2 3.95Å; V206-W225 HydrophobicContact CG1-CZ2 3.78Å; V206-L267 HydrophobicContact CG2-CD1 3.53Å; V206-V270 HydrophobicContact CB-CG1 4.04Å; V206-V270 HydrophobicContact CG1-CG1 4.06Å; V206-V270 HydrophobicContact CG2-CG1 4.25Å; V206-C271 WeakPolarHBondContact CG2-SG 3.32Å; V206-H274 HydrophobicContact CG1-CB 4.05Å |
| 207 | C | 96.9 | Very high | 95 | Very high | 8 Ų | 8 | 51 Ų | 51 | 5% | 0.054 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | -175.6 | 177.1 | 72.3 | 0 | 0 | 0 | 0 | 112.1 | G188 V189 S209 G210 W225 | G188-C207 VanDerWaalsContact O-CB 3.32Å; G188-C207 WeakPolarHBondContact O-CB 3.42Å; V189-C207 HydrophobicContact CG2-CB 4.07Å; C207-S209 PolarHBondContact O-N 2.82Å; C207-G210 PolarHBondContact N-O 3.37Å; C207-G210 VanDerWaalsContact N-O 3.07Å; C207-G210 PolarHBondContact O-N 3.26Å; C207-W225 PolarHBondContact O-NE1 2.97Å; C207-W225 VanDerWaalsContact O-NE1 3.09Å |
| 208 | S | 96.2 | Very high | 95 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 15% | 0.154 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.9 | 179.3 | 54.9 | 0 | 0 | 0 | 0 | 114.5 | W225 | S208-W225 PolarHBondContact O-NE1 2.87Š|
| 209 | S | 95.2 | Very high | 95.2 | Very high | 42 Ų | 42 | 49 Ų | 49 | 29% | 0.294 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -16.4 | -176.6 | 79.3 | 0 | 0 | 0 | 0 | 116 | C207 R222 P224 W225 | C207-S209 PolarHBondContact O-N 2.82Å; S209-R222 VanDerWaalsContact CB-NH2 3.33Å; S209-R222 PolarHBondContact OG-NH2 2.83Å; S209-P224 WeakPolarHBondContact O-CA 3.35Å; S209-W225 VanDerWaalsContact C-CD1 3.45Å; S209-W225 PolarHBondContact O-N 2.6Å; S209-W225 VanDerWaalsContact O-N 3.13Å |
| 210 | G | 95.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | -164.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | C207 F223 W225 | C207-G210 PolarHBondContact N-O 3.37Å; C207-G210 VanDerWaalsContact N-O 3.07Å; C207-G210 PolarHBondContact O-N 3.26Å; G210-F223 VanDerWaalsContact CA-O 3.26Å; G210-F223 WeakPolarHBondContact CA-O 3.28Å; G210-W225 VanDerWaalsContact CA-CE2 3.47Å; G210-W225 VanDerWaalsContact N-NE1 3.19Å |
| 211 | L | 97.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 152.8 | 162.3 | -58.4 | 97.6 | 0 | 0 | 0 | 111 | G205 F223 W225 V228 F238 I240 | G205-L211 CarbonylContact O-C 3.5Å; G205-L211 WeakPolarHBondContact O-CA 3.4Å; L211-F223 HydrophobicContact CB-CB 4.38Å; L211-F223 HydrophobicContact CB-CD2 4.26Å; L211-F223 PolarHBondContact N-O 3.38Å; L211-F223 PolarHBondContact O-N 2.91Å; L211-W225 HydrophobicContact CD1-CE3 4.16Å; L211-W225 HydrophobicContact CD1-CH2 3.67Å; L211-W225 HydrophobicContact CD1-CZ3 3.36Å; L211-W225 HydrophobicContact CG-CH2 3.98Å; L211-W225 HydrophobicContact CG-CZ3 4.2Å; L211-V228 HydrophobicContact CD1-CG2 4.25Å; L211-F238 HydrophobicContact CD2-CE1 3.88Å; L211-F238 HydrophobicContact CD2-CZ 4.09Å; L211-I240 HydrophobicContact CD1-CD1 4.21Å; L211-I240 HydrophobicContact CD2-CD1 3.88Å; L211-I240 HydrophobicContact CG-CD1 4.46Å |
| 212 | L | 97.1 | Very high | 95.1 | Very high | 6 Ų | 6 | 54.9 Ų | 54.9 | 3% | 0.031 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 145.8 | 178.3 | -53.2 | 175.4 | 0 | 0 | 0 | 108.5 | V189 L204 G205 Y214 R222 | V189-L212 HydrophobicContact CG1-CD1 4.16Å; V189-L212 HydrophobicContact CG2-CD1 3.89Å; L204-L212 CarbonylContact C-O 3.56Å; L204-L212 WeakPolarHBondContact CA-O 3.41Å; G205-L212 PolarHBondContact N-O 3.24Å; G205-L212 PolarHBondContact O-N 3.32Å; L212-Y214 HydrophobicContact CB-CD2 4.32Å; L212-Y214 HydrophobicContact CB-CE2 3.59Å; L212-Y214 HydrophobicContact CD1-CE2 4.18Å; L212-Y214 WeakPolarHBondContact CD1-OH 3.5Å; L212-R222 HydrophobicContact CD2-CB 4.14Å; L212-R222 HydrophobicContact CD2-CG 3.78Å |
| 213 | V | 96.8 | Very high | 95 | Very high | 4 Ų | 4 | 55.3 Ų | 55.3 | 2% | 0.024 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 129.8 | 172.7 | -168.1 | 0 | 0 | 0 | 0 | 108.9 | I202 L204 R219 I220 N221 F223 F256 | I202-V213 HydrophobicContact CB-CG1 4.4Å; I202-V213 HydrophobicContact CD1-CG1 3.99Å; L204-V213 HydrophobicContact CD2-CB 4.4Å; L204-V213 HydrophobicContact CD2-CG1 4.15Å; L204-V213 HydrophobicContact CD2-CG2 3.87Å; V213-R219 CarbonylContact O-C 3.58Å; V213-R219 WeakPolarHBondContact O-CA 3.25Å; V213-I220 HydrophobicContact CB-CG1 4.04Å; V213-I220 HydrophobicContact CG1-CD1 3.96Å; V213-I220 HydrophobicContact CG1-CG1 3.92Å; V213-I220 WeakPolarHBondContact O-CG1 3.5Å; V213-I220 PolarHBondContact O-N 3.15Å; V213-N221 HydrophobicContact CB-CB 3.92Å; V213-N221 HydrophobicContact CG2-CB 3.87Å; V213-N221 PolarHBondContact N-O 3.41Å; V213-N221 PolarHBondContact O-N 3.49Å; V213-F223 HydrophobicContact CG2-CD2 4.34Å; V213-F223 HydrophobicContact CG2-CE2 3.56Å; V213-F223 HydrophobicContact CG2-CZ 4.26Å; V213-F256 HydrophobicContact CG2-CZ 4.14Å |
| 214 | Y | 96.4 | Very high | 94.9 | Very high | 13 Ų | 13 | 54.3 Ų | 54.3 | 5% | 0.051 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.9 | 176.9 | -57.6 | -105.9 | 0 | 0 | 0 | 110.6 | S185 M186 V189 L191 I202 I203 L212 L218 R219 | S185-Y214 PolarHBondContact O-OH 2.97Å; M186-Y214 HydrophobicContact CE-CE1 4.2Å; M186-Y214 HydrophobicContact SD-CE1 3.62Å; M186-Y214 PolarHBondContact SD-OH 2.93Å; V189-Y214 HydrophobicContact CG1-CE2 4.33Å; L191-Y214 HydrophobicContact CD2-CE2 4.32Å; I202-Y214 WeakPolarHBondContact CA-O 3.48Å; I202-Y214 WeakPolarHBondContact CB-O 3.39Å; I203-Y214 PolarHBondContact N-O 2.87Å; I203-Y214 PolarHBondContact O-N 3.46Å; L212-Y214 HydrophobicContact CB-CD2 4.32Å; L212-Y214 HydrophobicContact CB-CE2 3.59Å; L212-Y214 HydrophobicContact CD1-CE2 4.18Å; L212-Y214 WeakPolarHBondContact CD1-OH 3.5Å; Y214-L218 CarbonylContact C-O 3.53Å; Y214-L218 WeakPolarHBondContact CA-O 3.38Å; Y214-R219 HydrophobicContact CD1-CB 3.85Å; Y214-R219 HydrophobicContact CE1-CB 3.8Å; Y214-R219 HydrophobicContact CE1-CG 4.34Å |
| 215 | K | 94.8 | Very high | 94.8 | Very high | 82 Ų | 82 | 54.6 Ų | 54.6 | 36% | 0.357 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 135.3 | 168.9 | 177.8 | 179.3 | 174 | 179.7 | 0 | 107.3 | V200 I202 K217 L218 I220 | V200-K215 HydrophobicContact CG1-CD 4.24Å; I202-K215 HydrophobicContact CG2-CB 4.35Å; K215-K217 PolarHBondContact O-N 3.09Å; K215-K217 VanDerWaalsContact O-N 3.1Å; K215-L218 PolarHBondContact N-O 3Å; K215-L218 WeakPolarHBondContact O-CA 3.45Å; K215-L218 PolarHBondContact O-N 2.73Å; K215-L218 VanDerWaalsContact O-O 3.05Å; K215-I220 HydrophobicContact CB-CD1 3.93Å; K215-I220 HydrophobicContact CB-CG1 4.41Å; K215-I220 HydrophobicContact CB-CG2 4.03Å |
| 216 | D | 90.6 | Very high | 94.4 | Very high | 130 Ų | 130 | 58 Ų | 58 | 70% | 0.695 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.5 | 37.7 | 179.6 | -52.5 | -40.6 | 0 | 0 | 0 | 113.8 | L218 | D216-L218 PolarHBondContact O-N 2.75Å; D216-L218 VanDerWaalsContact O-N 3.16Å |
| 217 | K | 85.6 | Confident | 94 | Very high | 196 Ų | 196 | 64.3 Ų | 64.3 | 85% | 0.852 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.6 | -8.6 | -172.2 | -50.4 | 174.4 | -175.1 | 173.6 | 0 | 115.9 | K215 | K215-K217 PolarHBondContact O-N 3.09Å; K215-K217 VanDerWaalsContact O-N 3.1Å |
| 218 | L | 90 | Very high | 93.7 | Very high | 128 Ų | 128 | 64 Ų | 64 | 67% | 0.67 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 137.7 | 174.5 | -61 | 176.5 | 0 | 0 | 0 | 110.8 | Y214 K215 D216 I220 | Y214-L218 CarbonylContact C-O 3.53Å; Y214-L218 WeakPolarHBondContact CA-O 3.38Å; K215-L218 PolarHBondContact N-O 3Å; K215-L218 WeakPolarHBondContact O-CA 3.45Å; K215-L218 PolarHBondContact O-N 2.73Å; K215-L218 VanDerWaalsContact O-O 3.05Å; D216-L218 PolarHBondContact O-N 2.75Å; D216-L218 VanDerWaalsContact O-N 3.16Å; L218-I220 PolarHBondContact O-N 3.23Å |
| 219 | R | 94.7 | Very high | 93.3 | Very high | 145 Ų | 145 | 64.2 Ų | 64.2 | 55% | 0.547 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 108.8 | 174.9 | -177.5 | -177.9 | 64.3 | -159.1 | 0.9 | 109.7 | V213 Y214 | V213-R219 CarbonylContact O-C 3.58Å; V213-R219 WeakPolarHBondContact O-CA 3.25Å; Y214-R219 HydrophobicContact CD1-CB 3.85Å; Y214-R219 HydrophobicContact CE1-CB 3.8Å; Y214-R219 HydrophobicContact CE1-CG 4.34Å |
| 220 | I | 94.3 | Very high | 93 | Very high | 87 Ų | 87 | 65 Ų | 65 | 45% | 0.446 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | -28.8 | -177.4 | 59.9 | 166.5 | 0 | 0 | 0 | 113.8 | V213 K215 L218 | V213-I220 HydrophobicContact CB-CG1 4.04Å; V213-I220 HydrophobicContact CG1-CD1 3.96Å; V213-I220 HydrophobicContact CG1-CG1 3.92Å; V213-I220 WeakPolarHBondContact O-CG1 3.5Å; V213-I220 PolarHBondContact O-N 3.15Å; K215-I220 HydrophobicContact CB-CD1 3.93Å; K215-I220 HydrophobicContact CB-CG1 4.41Å; K215-I220 HydrophobicContact CB-CG2 4.03Å; L218-I220 PolarHBondContact O-N 3.23Å |
| 221 | N | 94 | Very high | 92.8 | Very high | 89 Ų | 89 | 65.3 Ų | 65.3 | 48% | 0.476 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 157.9 | -177 | -94.9 | -54.7 | 0 | 0 | 0 | 112.6 | V213 F223 | V213-N221 HydrophobicContact CB-CB 3.92Å; V213-N221 HydrophobicContact CG2-CB 3.87Å; V213-N221 PolarHBondContact N-O 3.41Å; V213-N221 PolarHBondContact O-N 3.49Å; N221-F223 HydrophobicContact CB-CZ 4.14Å |
| 222 | R | 95.8 | Very high | 92.6 | Very high | 131 Ų | 131 | 66.5 Ų | 66.5 | 49% | 0.494 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 132.2 | 177.7 | 177.6 | 176.5 | -167.3 | -160.2 | 7.2 | 110.1 | S209 L212 P224 | S209-R222 VanDerWaalsContact CB-NH2 3.33Å; S209-R222 PolarHBondContact OG-NH2 2.83Å; L212-R222 HydrophobicContact CD2-CB 4.14Å; L212-R222 HydrophobicContact CD2-CG 3.78Å; R222-P224 HydrophobicContact CG-CG 4.22Å |
| 223 | F | 95.1 | Very high | 92.5 | Very high | 18 Ų | 18 | 66.5 Ų | 66.5 | 8% | 0.079 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 90.2 | 174.8 | -50.9 | -59 | 0 | 0 | 0 | 108.8 | G210 L211 V213 N221 V228 I240 I242 I254 F256 | G210-F223 VanDerWaalsContact CA-O 3.26Å; G210-F223 WeakPolarHBondContact CA-O 3.28Å; L211-F223 HydrophobicContact CB-CB 4.38Å; L211-F223 HydrophobicContact CB-CD2 4.26Å; L211-F223 PolarHBondContact N-O 3.38Å; L211-F223 PolarHBondContact O-N 2.91Å; V213-F223 HydrophobicContact CG2-CD2 4.34Å; V213-F223 HydrophobicContact CG2-CE2 3.56Å; V213-F223 HydrophobicContact CG2-CZ 4.26Å; N221-F223 HydrophobicContact CB-CZ 4.14Å; F223-V228 HydrophobicContact CB-CG2 4.23Å; F223-I240 HydrophobicContact CD2-CD1 3.56Å; F223-I240 HydrophobicContact CE2-CD1 3.94Å; F223-I240 HydrophobicContact CG-CD1 4.32Å; F223-I242 HydrophobicContact CD1-CD1 3.56Å; F223-I242 HydrophobicContact CE1-CD1 3.68Å; F223-I242 HydrophobicContact CG-CD1 4.46Å; F223-I254 HydrophobicContact CE1-CD1 3.58Å; F223-I254 HydrophobicContact CE2-CD1 4.49Å; F223-I254 HydrophobicContact CZ-CD1 3.52Å; F223-F256 HydrophobicContact CE2-CE2 4.41Å; F223-F256 HydrophobicContact CE2-CZ 4.11Å |
| 224 | P | 94.6 | Very high | 92.3 | Very high | 39 Ų | 39 | 69.7 Ų | 69.7 | 25% | 0.253 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.4 | 142.8 | 179.2 | -20.3 | 32.8 | 0 | 0 | 0 | 111 | S209 R222 P226 K227 | S209-P224 WeakPolarHBondContact O-CA 3.35Å; R222-P224 HydrophobicContact CG-CG 4.22Å; P224-P226 VanDerWaalsContact C-CD 3.44Å; P224-P226 VanDerWaalsContact C-N 3.31Å; P224-P226 VanDerWaalsContact O-N 3.15Å; P224-K227 PolarHBondContact O-N 2.68Å |
| 225 | W | 93.9 | Very high | 92.1 | Very high | 7 Ų | 7 | 78.7 Ų | 78.7 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | G | 310 helix | trans | -49.9 | -42.4 | -178 | -66.1 | 128.6 | 0 | 0 | 0 | 114.2 | V206 C207 S208 S209 G210 L211 K227 V228 C271 H274 H275 | V206-W225 HydrophobicContact CG1-CH2 3.95Å; V206-W225 HydrophobicContact CG1-CZ2 3.78Å; C207-W225 PolarHBondContact O-NE1 2.97Å; C207-W225 VanDerWaalsContact O-NE1 3.09Å; S208-W225 PolarHBondContact O-NE1 2.87Å; S209-W225 VanDerWaalsContact C-CD1 3.45Å; S209-W225 PolarHBondContact O-N 2.6Å; S209-W225 VanDerWaalsContact O-N 3.13Å; G210-W225 VanDerWaalsContact CA-CE2 3.47Å; G210-W225 VanDerWaalsContact N-NE1 3.19Å; L211-W225 HydrophobicContact CD1-CE3 4.16Å; L211-W225 HydrophobicContact CD1-CH2 3.67Å; L211-W225 HydrophobicContact CD1-CZ3 3.36Å; L211-W225 HydrophobicContact CG-CH2 3.98Å; L211-W225 HydrophobicContact CG-CZ3 4.2Å; W225-K227 PolarHBondContact O-N 2.74Å; W225-K227 VanDerWaalsContact O-N 3.17Å; W225-V228 HydrophobicContact CE3-CG2 4.44Å; W225-V228 PolarHBondContact O-N 3.15Å; W225-C271 HydrophobicContact CH2-CB 4Å; W225-C271 HydrophobicContact CZ3-CB 4.46Å; W225-H274 HydrophobicContact CZ2-CB 3.8Å; W225-H275 HydrophobicContact CD2-CB 4.17Å; W225-H275 HydrophobicContact CE3-CB 4Å; W225-H275 AromaticContact CE3-CD2 3.8Å; W225-H275 HydrophobicContact CZ3-CB 4.23Å |
| 226 | P | 89.9 | Confident | 92.2 | Very high | 72 Ų | 72 | 75.6 Ų | 75.6 | 47% | 0.468 | 35% | 0.353 | S | S | . | . | G | 310 helix | trans | -61 | -23.2 | 176.9 | -25.4 | 36 | 0 | 0 | 0 | 115.7 | P224 R243 | P224-P226 VanDerWaalsContact C-CD 3.44Å; P224-P226 VanDerWaalsContact C-N 3.31Å; P224-P226 VanDerWaalsContact O-N 3.15Å; P226-R243 VanDerWaalsContact O-CD 3.25Å; P226-R243 WeakPolarHBondContact O-CD 3.29Å; P226-R243 PolarHBondContact O-NE 3.48Å; P226-R243 VanDerWaalsContact O-NE 3.14Å |
| 227 | K | 89.9 | Confident | 92.5 | Very high | 132 Ų | 132 | 70.9 Ų | 70.9 | 57% | 0.574 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -88.5 | -8.5 | 176 | -69 | -156.8 | 173.9 | -161.3 | 0 | 113.3 | P224 W225 I242 R243 | P224-K227 PolarHBondContact O-N 2.68Å; W225-K227 PolarHBondContact O-N 2.74Å; W225-K227 VanDerWaalsContact O-N 3.17Å; K227-I242 HydrophobicContact CB-CG2 4.35Å; K227-I242 CarbonylContact O-C 3.57Å; K227-I242 WeakPolarHBondContact O-CA 3.14Å; K227-I242 WeakPolarHBondContact O-CG2 3.43Å; K227-R243 PolarHBondContact O-N 3.23Å |
| 228 | V | 90.3 | Very high | 93 | Very high | 1 Ų | 1 | 61.5 Ų | 61.5 | 1% | 0.006 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 116.5 | 179.9 | 177.4 | 0 | 0 | 0 | 0 | 109.7 | L211 F223 W225 I231 I240 M418 | L211-V228 HydrophobicContact CD1-CG2 4.25Å; F223-V228 HydrophobicContact CB-CG2 4.23Å; W225-V228 HydrophobicContact CE3-CG2 4.44Å; W225-V228 PolarHBondContact O-N 3.15Å; V228-I231 HydrophobicContact CG1-CG2 3.94Å; V228-I240 HydrophobicContact CG1-CG2 4.08Å; V228-I240 HydrophobicContact CG2-CG2 4.1Å; V228-M418 HydrophobicContact CG1-SD 4.27Å |
| 229 | L | 86.8 | Confident | 93.3 | Very high | 26 Ų | 26 | 58.5 Ų | 58.5 | 14% | 0.136 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.4 | -39.7 | 170.4 | -80.8 | 176 | 0 | 0 | 0 | 112.1 | K241 R243 E251 L419 | L229-K241 HydrophobicContact CB-CB 4.29Å; L229-K241 HydrophobicContact CB-CG 4.47Å; L229-K241 HydrophobicContact CD1-CD 4.36Å; L229-K241 HydrophobicContact CD1-CG 4.44Å; L229-K241 PolarHBondContact N-O 3.04Å; L229-R243 HydrophobicContact CD1-CG 4.37Å; L229-R243 HydrophobicContact CD2-CG 3.6Å; L229-R243 HydrophobicContact CG-CB 4.32Å; L229-R243 HydrophobicContact CG-CG 3.53Å; L229-E251 WeakPolarHBondContact CD1-OE1 3.3Å; L229-L419 HydrophobicContact CD2-CD2 4.42Å |
| 230 | K | 88.4 | Confident | 93.3 | Very high | 59 Ų | 59 | 51.6 Ų | 51.6 | 26% | 0.257 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 142 | -167.6 | -165 | -179.9 | -165.5 | 129.1 | 0 | 111.7 | K241 S415 | K230-K241 HydrophobicContact CB-CB 3.82Å; K230-K241 PolarHBondContact N-O 2.99Å; K230-K241 PolarHBondContact O-N 2.71Å; K230-S415 WeakPolarHBondContact CD-OG 3.39Å; K230-S415 VanDerWaalsContact CE-OG 3.3Å; K230-S415 WeakPolarHBondContact CE-OG 3.37Å; K230-S415 PolarHBondContact NZ-OG 3.1Å |
| 231 | I | 92.6 | Very high | 93.1 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 4% | 0.036 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 133 | 167.6 | 47.2 | 174.2 | 0 | 0 | 0 | 110 | V228 F238 F239 W268 C271 V272 M418 | V228-I231 HydrophobicContact CG1-CG2 3.94Å; I231-F238 HydrophobicContact CB-CE2 4.12Å; I231-F238 HydrophobicContact CB-CZ 4.1Å; I231-F238 HydrophobicContact CG2-CE2 4.37Å; I231-F238 HydrophobicContact CG2-CZ 3.83Å; I231-F239 WeakPolarHBondContact CA-O 3.48Å; I231-W268 PolarHBondContact O-NE1 3.36Å; I231-C271 HydrophobicContact CD1-CB 3.43Å; I231-C271 VanDerWaalsContact CD1-CB 3.43Å; I231-V272 HydrophobicContact CD1-CB 4.45Å; I231-V272 HydrophobicContact CD1-CG2 3.65Å; I231-V272 HydrophobicContact CG1-CG2 4.29Å; I231-M418 HydrophobicContact CD1-CE 3.74Å; I231-M418 HydrophobicContact CG1-CE 3.76Å; I231-M418 HydrophobicContact CG1-SD 4.39Å |
| 232 | S | 92.6 | Very high | 92.9 | Very high | 25 Ų | 25 | 47 Ų | 47 | 18% | 0.175 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 169.7 | 179.1 | 75.3 | 0 | 0 | 0 | 0 | 111.6 | F238 F239 | S232-F238 WeakPolarHBondContact O-CA 3.5Å; S232-F238 WeakPolarHBondContact O-CD2 3.21Å; S232-F239 PolarHBondContact N-O 2.94Å; S232-F239 PolarHBondContact O-N 2.87Å |
| 233 | Y | 94.9 | Very high | 92.3 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 147.1 | 172.9 | 74.5 | -71.7 | 0 | 0 | 0 | 110.6 | S237 Y261 A264 K265 W268 I412 | Y233-S237 CarbonylContact C-O 3.5Å; Y233-S237 WeakPolarHBondContact CA-O 3.48Å; Y233-S237 WeakPolarHBondContact CB-O 3.46Å; Y233-Y261 HydrophobicContact CD2-CE2 4.45Å; Y233-Y261 HydrophobicContact CE2-CD2 4.13Å; Y233-Y261 AromaticContact CE2-CE2 3.62Å; Y233-Y261 HydrophobicContact CE2-CE2 3.62Å; Y233-A264 HydrophobicContact CD2-CB 4.14Å; Y233-K265 HydrophobicContact CD2-CB 4.34Å; Y233-K265 HydrophobicContact CE2-CB 3.67Å; Y233-K265 HydrophobicContact CE2-CD 4.4Å; Y233-K265 HydrophobicContact CE2-CG 4.05Å; Y233-K265 WeakPolarHBondContact OH-CG 3.38Å; Y233-W268 HydrophobicContact CD1-CB 3.59Å; Y233-W268 AromaticContact CD1-CD1 3.91Å; Y233-W268 AromaticContact CD1-CD2 3.69Å; Y233-W268 HydrophobicContact CD1-CD2 3.69Å; Y233-W268 HydrophobicContact CD1-CE3 4.13Å; Y233-W268 AromaticContact CD1-CG 3.38Å; Y233-W268 HydrophobicContact CD1-CG 3.38Å; Y233-W268 HydrophobicContact CE1-CB 4.16Å; Y233-W268 AromaticContact CE1-CD2 3.55Å; Y233-W268 HydrophobicContact CE1-CD2 3.55Å; Y233-W268 AromaticContact CE1-CE3 3.54Å; Y233-W268 HydrophobicContact CE1-CE3 3.54Å; Y233-W268 AromaticContact CE1-CG 3.79Å; Y233-W268 HydrophobicContact CE1-CG 3.79Å; Y233-W268 HydrophobicContact CE1-CZ3 4.32Å; Y233-W268 HydrophobicContact CG-CB 4.12Å; Y233-W268 HydrophobicContact CG-CG 4.34Å; Y233-I412 HydrophobicContact CD1-CD1 4.03Å; Y233-I412 HydrophobicContact CE1-CD1 3.7Å |
| 234 | K | 92.6 | Very high | 91.5 | Very high | 72 Ų | 72 | 46.3 Ų | 46.3 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 126.1 | 177 | 179.6 | 166.9 | 172.5 | 162.9 | 0 | 109.1 | S236 S237 F239 E408 | K234-S236 PolarHBondContact O-N 3.16Å; K234-S237 PolarHBondContact N-O 3.16Å; K234-S237 PolarHBondContact O-N 3.36Å; K234-F239 HydrophobicContact CB-CE2 4.25Å; K234-E408 WeakPolarHBondContact CE-O 3.4Å; K234-E408 PolarHBondContact NZ-O 3.24Å |
| 235 | R | 93.2 | Very high | 90.5 | Very high | 202 Ų | 202 | 46 Ų | 46 | 76% | 0.762 | 23% | 0.226 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52 | -120.8 | -169 | -59.3 | 177.4 | 179.3 | 164 | -0.9 | 109.8 | Y261 | R235-Y261 WeakPolarHBondContact O-CA 3.34Å; R235-Y261 WeakPolarHBondContact O-CD2 3.49Å |
| 236 | S | 95.9 | Very high | 89.3 | Confident | 17 Ų | 17 | 55.6 Ų | 55.6 | 12% | 0.119 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 8.1 | 174.3 | 83.6 | 0 | 0 | 0 | 0 | 114.5 | K234 K257 L258 | K234-S236 PolarHBondContact O-N 3.16Å; S236-K257 WeakPolarHBondContact OG-CE 3.38Å; S236-K257 PolarHBondContact OG-NZ 2.89Å; S236-L258 VanDerWaalsContact CB-O 3.22Å; S236-L258 WeakPolarHBondContact CB-O 3.28Å; S236-L258 WeakPolarHBondContact O-CA 3.36Å; S236-L258 PolarHBondContact O-N 2.89Å; S236-L258 PolarHBondContact OG-O 3.01Å |
| 237 | S | 96.7 | Very high | 87.8 | Confident | 30 Ų | 30 | 61.2 Ų | 61.2 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 142.3 | 177 | -58.9 | 0 | 0 | 0 | 0 | 111.3 | Y233 K234 F256 | Y233-S237 CarbonylContact C-O 3.5Å; Y233-S237 WeakPolarHBondContact CA-O 3.48Å; Y233-S237 WeakPolarHBondContact CB-O 3.46Å; K234-S237 PolarHBondContact N-O 3.16Å; K234-S237 PolarHBondContact O-N 3.36Å; S237-F256 CarbonylContact C-O 3.54Å; S237-F256 WeakPolarHBondContact CA-O 3.34Å |
| 238 | F | 97.3 | Very high | 86.8 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 145.4 | 175.8 | 174 | -104 | 0 | 0 | 0 | 109 | L204 L211 I231 S232 I240 F256 L258 L267 W268 | L204-F238 HydrophobicContact CD1-CD1 4.45Å; L211-F238 HydrophobicContact CD2-CE1 3.88Å; L211-F238 HydrophobicContact CD2-CZ 4.09Å; I231-F238 HydrophobicContact CB-CE2 4.12Å; I231-F238 HydrophobicContact CB-CZ 4.1Å; I231-F238 HydrophobicContact CG2-CE2 4.37Å; I231-F238 HydrophobicContact CG2-CZ 3.83Å; S232-F238 WeakPolarHBondContact O-CA 3.5Å; S232-F238 WeakPolarHBondContact O-CD2 3.21Å; F238-I240 HydrophobicContact CD1-CG1 4.36Å; F238-I240 HydrophobicContact CE1-CD1 4.11Å; F238-I240 HydrophobicContact CE1-CG1 3.63Å; F238-I240 HydrophobicContact CZ-CG1 4.26Å; F238-F256 HydrophobicContact CD1-CD2 4.19Å; F238-F256 PolarHBondContact N-O 2.86Å; F238-F256 PolarHBondContact O-N 3.3Å; F238-L258 HydrophobicContact CB-CD1 3.52Å; F238-L267 HydrophobicContact CB-CD2 4.25Å; F238-L267 HydrophobicContact CD1-CD2 3.58Å; F238-L267 HydrophobicContact CD1-CG 4.39Å; F238-L267 HydrophobicContact CD2-CD2 4.19Å; F238-L267 HydrophobicContact CD2-CG 4.35Å; F238-L267 HydrophobicContact CE1-CD2 3.9Å; F238-L267 HydrophobicContact CE1-CG 4.35Å; F238-L267 HydrophobicContact CE2-CD2 4.47Å; F238-L267 HydrophobicContact CE2-CG 4.32Å; F238-L267 HydrophobicContact CG-CD2 3.75Å; F238-L267 HydrophobicContact CG-CG 4.4Å; F238-L267 HydrophobicContact CZ-CD2 4.34Å; F238-L267 HydrophobicContact CZ-CG 4.32Å; F238-W268 HydrophobicContact CD2-CB 4.2Å; F238-W268 HydrophobicContact CE2-CB 4.15Å |
| 239 | F | 95.8 | Very high | 85.3 | Confident | 64 Ų | 64 | 67.9 Ų | 67.9 | 28% | 0.281 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.3 | -174.9 | -55.3 | -89.1 | 0 | 0 | 0 | 111.4 | I231 S232 K234 I254 | I231-F239 WeakPolarHBondContact CA-O 3.48Å; S232-F239 PolarHBondContact N-O 2.94Å; S232-F239 PolarHBondContact O-N 2.87Å; K234-F239 HydrophobicContact CB-CE2 4.25Å; F239-I254 CarbonylContact C-O 3.59Å; F239-I254 WeakPolarHBondContact CA-O 3.3Å |
| 240 | I | 94.5 | Very high | 84 | Confident | 0 Ų | 0 | 75.9 Ų | 75.9 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 122 | 173.9 | -48.3 | 176.9 | 0 | 0 | 0 | 107.6 | L211 F223 V228 F238 I242 T253 I254 F256 | L211-I240 HydrophobicContact CD1-CD1 4.21Å; L211-I240 HydrophobicContact CD2-CD1 3.88Å; L211-I240 HydrophobicContact CG-CD1 4.46Å; F223-I240 HydrophobicContact CD2-CD1 3.56Å; F223-I240 HydrophobicContact CE2-CD1 3.94Å; F223-I240 HydrophobicContact CG-CD1 4.32Å; V228-I240 HydrophobicContact CG1-CG2 4.08Å; V228-I240 HydrophobicContact CG2-CG2 4.1Å; F238-I240 HydrophobicContact CD1-CG1 4.36Å; F238-I240 HydrophobicContact CE1-CD1 4.11Å; F238-I240 HydrophobicContact CE1-CG1 3.63Å; F238-I240 HydrophobicContact CZ-CG1 4.26Å; I240-I242 HydrophobicContact CG2-CG1 4.17Å; I240-T253 CarbonylContact O-C 3.59Å; I240-T253 WeakPolarHBondContact O-CA 3.3Å; I240-I254 PolarHBondContact N-O 3.14Å; I240-I254 PolarHBondContact O-N 3.1Å; I240-F256 HydrophobicContact CD1-CD2 4.42Å; I240-F256 HydrophobicContact CD1-CE2 3.72Å; I240-F256 HydrophobicContact CG1-CE2 4.2Å |
| 241 | K | 91.3 | Very high | 83.2 | Confident | 56 Ų | 56 | 77.8 Ų | 77.8 | 24% | 0.243 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 126 | 167.2 | -158.1 | -177.9 | -158.4 | -159.8 | 0 | 108.3 | L229 K230 E251 | L229-K241 HydrophobicContact CB-CB 4.29Å; L229-K241 HydrophobicContact CB-CG 4.47Å; L229-K241 HydrophobicContact CD1-CD 4.36Å; L229-K241 HydrophobicContact CD1-CG 4.44Å; L229-K241 PolarHBondContact N-O 3.04Å; K230-K241 HydrophobicContact CB-CB 3.82Å; K230-K241 PolarHBondContact N-O 2.99Å; K230-K241 PolarHBondContact O-N 2.71Å; K241-E251 VanDerWaalsContact CE-CD 3.45Å; K241-E251 VanDerWaalsContact CE-OE1 3.25Å; K241-E251 WeakPolarHBondContact CE-OE1 3.34Å; K241-E251 WeakPolarHBondContact CE-OE2 3.42Å; K241-E251 HydrophobicContact CG-CB 4.46Å; K241-E251 IonicContact NZ-OE1 2.69Å; K241-E251 PolarHBondContact NZ-OE1 2.81Å; K241-E251 IonicContact NZ-OE2 2.74Å; K241-E251 PolarHBondContact NZ-OE2 2.79Å |
| 242 | I | 89.6 | Confident | 82.7 | Confident | 24 Ų | 24 | 80.2 Ų | 80.2 | 12% | 0.123 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 148.1 | -177.3 | -56.2 | -177.5 | 0 | 0 | 0 | 108.6 | F223 K227 I240 S252 I254 | F223-I242 HydrophobicContact CD1-CD1 3.56Å; F223-I242 HydrophobicContact CE1-CD1 3.68Å; F223-I242 HydrophobicContact CG-CD1 4.46Å; K227-I242 HydrophobicContact CB-CG2 4.35Å; K227-I242 CarbonylContact O-C 3.57Å; K227-I242 WeakPolarHBondContact O-CA 3.14Å; K227-I242 WeakPolarHBondContact O-CG2 3.43Å; I240-I242 HydrophobicContact CG2-CG1 4.17Å; I242-S252 PolarHBondContact N-O 3.15Å; I242-I254 HydrophobicContact CD1-CD1 3.59Å; I242-I254 HydrophobicContact CD1-CG1 4.18Å |
| 243 | R | 82.1 | Confident | 82.6 | Confident | 80 Ų | 80 | 83 Ų | 83 | 30% | 0.302 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -62.6 | 129.1 | 169.6 | -70.8 | -175.8 | -175.1 | -150.3 | -3.4 | 108.6 | P226 K227 L229 G245 M418 | P226-R243 VanDerWaalsContact O-CD 3.25Å; P226-R243 WeakPolarHBondContact O-CD 3.29Å; P226-R243 PolarHBondContact O-NE 3.48Å; P226-R243 VanDerWaalsContact O-NE 3.14Å; K227-R243 PolarHBondContact O-N 3.23Å; L229-R243 HydrophobicContact CD1-CG 4.37Å; L229-R243 HydrophobicContact CD2-CG 3.6Å; L229-R243 HydrophobicContact CG-CB 4.32Å; L229-R243 HydrophobicContact CG-CG 3.53Å; R243-G245 PolarHBondContact O-N 3.29Å; R243-M418 PolarHBondContact NH2-O 3.45Å |
| 244 | P | 79.4 | Confident | 82.5 | Confident | 54 Ų | 54 | 85.2 Ų | 85.2 | 35% | 0.351 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -51.9 | 140.9 | 166.2 | 16.6 | -26.3 | 0 | 0 | 0 | 110.4 | E248 E251 | P244-E248 HydrophobicContact CB-CB 4.32Å; P244-E248 WeakPolarHBondContact CB-O 3.24Å; P244-E251 HydrophobicContact CG-CG 4.36Å |
| 245 | G | 72.8 | Confident | 82.6 | Confident | 34 Ų | 34 | 82 Ų | 82 | 35% | 0.351 | 40% | 0.396 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 164.9 | 163 | 0 | 0 | 0 | 0 | 0 | 111.9 | R243 Q247 E248 | R243-G245 PolarHBondContact O-N 3.29Å; G245-Q247 PolarHBondContact O-N 3.1Å; G245-Q247 VanDerWaalsContact O-N 3.13Å; G245-E248 PolarHBondContact N-OE2 2.81Å; G245-E248 PolarHBondContact O-N 2.75Å |
| 246 | E | 69.6 | Low | 82.8 | Confident | 207 Ų | 207 | 73 Ų | 73 | 97% | 0.967 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -22.2 | -178.1 | -69 | 166.7 | 155 | 0 | 0 | 113.1 | ||
| 247 | Q | 57.5 | Low | 82.9 | Confident | 190 Ų | 190 | 76.9 Ų | 76.9 | 89% | 0.888 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.8 | -10.3 | 173.2 | -65.7 | 171.2 | -34.6 | 0 | 0 | 113.9 | G245 | G245-Q247 PolarHBondContact O-N 3.1Å; G245-Q247 VanDerWaalsContact O-N 3.13Å |
| 248 | E | 69.1 | Low | 82.9 | Confident | 105 Ų | 105 | 75.6 Ų | 75.6 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | trans | -97.6 | 109.2 | -177.1 | -64.8 | -179.7 | 140.5 | 0 | 0 | 110.6 | P244 G245 Y250 | P244-E248 HydrophobicContact CB-CB 4.32Å; P244-E248 WeakPolarHBondContact CB-O 3.24Å; G245-E248 PolarHBondContact N-OE2 2.81Å; G245-E248 PolarHBondContact O-N 2.75Å; E248-Y250 PolarHBondContact O-N 2.7Å; E248-Y250 VanDerWaalsContact O-N 3.09Å | ||
| 249 | H | 57.9 | Low | 82.8 | Confident | 168 Ų | 168 | 80.7 Ų | 80.7 | 78% | 0.778 | 40% | 0.401 | S | S | * | . | trans | -76.1 | 8.2 | 179 | -61 | -34.5 | 0 | 0 | 0 | 115.2 | ||||
| 250 | Y | 59.5 | Low | 82.8 | Confident | 194 Ų | 194 | 80 Ų | 80 | 76% | 0.761 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -131.3 | 136.1 | -171 | -61.8 | -73.9 | 0 | 0 | 0 | 113.9 | E248 S252 | E248-Y250 PolarHBondContact O-N 2.7Å; E248-Y250 VanDerWaalsContact O-N 3.09Å; Y250-S252 PolarHBondContact O-N 3.09Å; Y250-S252 VanDerWaalsContact O-N 3.11Å |
| 251 | E | 73.3 | Confident | 82.8 | Confident | 100 Ų | 100 | 84.8 Ų | 84.8 | 47% | 0.467 | 42% | 0.423 | S | S | . | . | trans | -82.9 | 87.1 | -177.2 | -55.9 | 176.4 | 88.9 | 0 | 0 | 112.9 | L229 K241 P244 T253 | L229-E251 WeakPolarHBondContact CD1-OE1 3.3Å; K241-E251 VanDerWaalsContact CE-CD 3.45Å; K241-E251 VanDerWaalsContact CE-OE1 3.25Å; K241-E251 WeakPolarHBondContact CE-OE1 3.34Å; K241-E251 WeakPolarHBondContact CE-OE2 3.42Å; K241-E251 HydrophobicContact CG-CB 4.46Å; K241-E251 IonicContact NZ-OE1 2.69Å; K241-E251 PolarHBondContact NZ-OE1 2.81Å; K241-E251 IonicContact NZ-OE2 2.74Å; K241-E251 PolarHBondContact NZ-OE2 2.79Å; P244-E251 HydrophobicContact CG-CG 4.36Å; E251-T253 PolarHBondContact O-N 3.45Å; E251-T253 PolarHBondContact O-OG1 3.47Å | ||
| 252 | S | 81.6 | Confident | 82.8 | Confident | 57 Ų | 57 | 92 Ų | 92 | 40% | 0.399 | 45% | 0.448 | S | S | . | . | trans | -50.3 | 122.1 | 178 | -78.1 | 0 | 0 | 0 | 0 | 113.5 | I242 Y250 | I242-S252 PolarHBondContact N-O 3.15Å; Y250-S252 PolarHBondContact O-N 3.09Å; Y250-S252 VanDerWaalsContact O-N 3.11Å | ||
| 253 | T | 90.2 | Very high | 83.1 | Confident | 83 Ų | 83 | 92.1 Ų | 92.1 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 110 | 179.2 | -59.1 | 0 | 0 | 0 | 0 | 110.6 | I240 E251 | I240-T253 CarbonylContact O-C 3.59Å; I240-T253 WeakPolarHBondContact O-CA 3.3Å; E251-T253 PolarHBondContact O-N 3.45Å; E251-T253 PolarHBondContact O-OG1 3.47Å |
| 254 | I | 92.6 | Very high | 83.7 | Confident | 52 Ų | 52 | 88.3 Ų | 88.3 | 27% | 0.267 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 131.6 | -178.2 | -53.3 | -177.1 | 0 | 0 | 0 | 109.7 | F223 F239 I240 I242 F256 | F223-I254 HydrophobicContact CE1-CD1 3.58Å; F223-I254 HydrophobicContact CE2-CD1 4.49Å; F223-I254 HydrophobicContact CZ-CD1 3.52Å; F239-I254 CarbonylContact C-O 3.59Å; F239-I254 WeakPolarHBondContact CA-O 3.3Å; I240-I254 PolarHBondContact N-O 3.14Å; I240-I254 PolarHBondContact O-N 3.1Å; I242-I254 HydrophobicContact CD1-CD1 3.59Å; I242-I254 HydrophobicContact CD1-CG1 4.18Å; I254-F256 HydrophobicContact CB-CE2 4.39Å; I254-F256 HydrophobicContact CG2-CD2 4.47Å; I254-F256 HydrophobicContact CG2-CE1 4.13Å; I254-F256 HydrophobicContact CG2-CE2 3.65Å; I254-F256 HydrophobicContact CG2-CZ 3.46Å; I254-F256 VanDerWaalsContact CG2-CZ 3.46Å |
| 255 | G | 94.9 | Very high | 84.3 | Confident | 4 Ų | 4 | 89.3 Ų | 89.3 | 4% | 0.041 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 144.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | L197 | L197-G255 WeakPolarHBondContact CD2-O 3.37Å |
| 256 | F | 97.6 | Very high | 85.3 | Confident | 13 Ų | 13 | 90.1 Ų | 90.1 | 6% | 0.057 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.7 | 177.8 | -59.6 | -72.8 | 0 | 0 | 0 | 110.8 | K195 I202 L204 V213 F223 S237 F238 I240 I254 | K195-F256 CarbonylContact O-C 3.5Å; K195-F256 WeakPolarHBondContact O-CA 3.26Å; I202-F256 HydrophobicContact CD1-CD1 3.49Å; I202-F256 VanDerWaalsContact CD1-CD1 3.49Å; I202-F256 HydrophobicContact CD1-CE1 3.72Å; L204-F256 HydrophobicContact CD1-CB 3.92Å; L204-F256 HydrophobicContact CD1-CD1 4.43Å; L204-F256 HydrophobicContact CD1-CD2 4.07Å; L204-F256 HydrophobicContact CD1-CG 3.88Å; L204-F256 HydrophobicContact CD2-CD1 4.12Å; L204-F256 HydrophobicContact CD2-CD2 4.28Å; L204-F256 HydrophobicContact CD2-CE1 4.03Å; L204-F256 HydrophobicContact CD2-CE2 4.2Å; L204-F256 HydrophobicContact CD2-CG 4.23Å; L204-F256 HydrophobicContact CD2-CZ 4.06Å; V213-F256 HydrophobicContact CG2-CZ 4.14Å; F223-F256 HydrophobicContact CE2-CE2 4.41Å; F223-F256 HydrophobicContact CE2-CZ 4.11Å; S237-F256 CarbonylContact C-O 3.54Å; S237-F256 WeakPolarHBondContact CA-O 3.34Å; F238-F256 HydrophobicContact CD1-CD2 4.19Å; F238-F256 PolarHBondContact N-O 2.86Å; F238-F256 PolarHBondContact O-N 3.3Å; I240-F256 HydrophobicContact CD1-CD2 4.42Å; I240-F256 HydrophobicContact CD1-CE2 3.72Å; I240-F256 HydrophobicContact CG1-CE2 4.2Å; I254-F256 HydrophobicContact CB-CE2 4.39Å; I254-F256 HydrophobicContact CG2-CD2 4.47Å; I254-F256 HydrophobicContact CG2-CE1 4.13Å; I254-F256 HydrophobicContact CG2-CE2 3.65Å; I254-F256 HydrophobicContact CG2-CZ 3.46Å; I254-F256 VanDerWaalsContact CG2-CZ 3.46Å |
| 257 | K | 97.9 | Very high | 86.5 | Confident | 99 Ų | 99 | 80.3 Ų | 80.3 | 43% | 0.43 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 108 | -174.6 | -178 | 60.9 | 166.7 | 175.9 | 0 | 110.7 | A194 K195 S236 | A194-K257 CarbonylContact C-O 3.6Å; A194-K257 WeakPolarHBondContact CA-O 2.87Å; K195-K257 HydrophobicContact CB-CB 4.21Å; K195-K257 PolarHBondContact N-O 3.27Å; K195-K257 PolarHBondContact O-N 3.26Å; S236-K257 WeakPolarHBondContact OG-CE 3.38Å; S236-K257 PolarHBondContact OG-NZ 2.89Å |
| 258 | L | 96.8 | Very high | 88.3 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.021 | 34% | 0.343 | C | S | . | . | trans | -91.9 | 158 | 178.1 | -71.4 | 93.1 | 0 | 0 | 0 | 112 | H192 A194 S236 F238 S260 A263 A264 L267 | H192-L258 HydrophobicContact CB-CD2 4.48Å; A194-L258 HydrophobicContact CB-CD1 4.47Å; A194-L258 HydrophobicContact CB-CG 4.03Å; S236-L258 VanDerWaalsContact CB-O 3.22Å; S236-L258 WeakPolarHBondContact CB-O 3.28Å; S236-L258 WeakPolarHBondContact O-CA 3.36Å; S236-L258 PolarHBondContact O-N 2.89Å; S236-L258 PolarHBondContact OG-O 3.01Å; F238-L258 HydrophobicContact CB-CD1 3.52Å; L258-S260 PolarHBondContact O-N 2.82Å; L258-S260 VanDerWaalsContact O-N 3.11Å; L258-A263 HydrophobicContact CB-CB 4.06Å; L258-A263 HydrophobicContact CD2-CB 4.08Å; L258-A264 HydrophobicContact CB-CB 4.33Å; L258-A264 HydrophobicContact CD1-CB 4.33Å; L258-L267 HydrophobicContact CD1-CD2 4Å; L258-L267 HydrophobicContact CD2-CB 4.03Å; L258-L267 HydrophobicContact CD2-CD2 3.88Å | ||
| 259 | P | 95.3 | Very high | 89.4 | Confident | 107 Ų | 107 | 68.6 Ų | 68.6 | 70% | 0.695 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -59.2 | -23.1 | -177.4 | -27.9 | 35.6 | 0 | 0 | 0 | 115.6 | K193 | K193-P259 VanDerWaalsContact O-CD 3.29Å; K193-P259 WeakPolarHBondContact O-CD 3.23Å |
| 260 | S | 95.4 | Very high | 91.2 | Very high | 48 Ų | 48 | 60.8 Ų | 60.8 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -156.8 | 164.7 | 178.4 | 70.7 | 0 | 0 | 0 | 0 | 113 | L258 R262 A263 A264 | L258-S260 PolarHBondContact O-N 2.82Å; L258-S260 VanDerWaalsContact O-N 3.11Å; S260-R262 PolarHBondContact O-N 3.41Å; S260-R262 PolarHBondContact OG-N 2.92Å; S260-A263 PolarHBondContact O-N 3.06Å; S260-A263 PolarHBondContact OG-N 3.48Å; S260-A263 VanDerWaalsContact OG-N 3.09Å; S260-A264 PolarHBondContact O-N 3.2Å |
| 261 | Y | 94.7 | Very high | 92.9 | Very high | 102 Ų | 102 | 51.5 Ų | 51.5 | 40% | 0.4 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -55.8 | -36.9 | 168.3 | 167.1 | -91.6 | 0 | 0 | 0 | 112.2 | Y233 R235 A264 K265 | Y233-Y261 HydrophobicContact CD2-CE2 4.45Å; Y233-Y261 HydrophobicContact CE2-CD2 4.13Å; Y233-Y261 AromaticContact CE2-CE2 3.62Å; Y233-Y261 HydrophobicContact CE2-CE2 3.62Å; R235-Y261 WeakPolarHBondContact O-CA 3.34Å; R235-Y261 WeakPolarHBondContact O-CD2 3.49Å; Y261-A264 PolarHBondContact O-N 2.83Å; Y261-K265 HydrophobicContact CE1-CD 3.79Å; Y261-K265 WeakPolarHBondContact O-CB 3.38Å; Y261-K265 PolarHBondContact O-N 3.45Å; Y261-K265 PolarHBondContact OH-NZ 3.11Å |
| 262 | R | 91.9 | Very high | 93.8 | Very high | 208 Ų | 208 | 46.8 Ų | 46.8 | 79% | 0.785 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.8 | -42.5 | 177.5 | -64.1 | -175.5 | -174.4 | 168.1 | 4.2 | 111 | S260 K265 K266 | S260-R262 PolarHBondContact O-N 3.41Å; S260-R262 PolarHBondContact OG-N 2.92Å; R262-K265 PolarHBondContact O-N 3.48Å; R262-K266 WeakPolarHBondContact O-CB 3.28Å; R262-K266 PolarHBondContact O-N 3.14Å |
| 263 | A | 94.1 | Very high | 94.4 | Very high | 25 Ų | 25 | 44.8 Ų | 44.8 | 21% | 0.207 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.7 | -48.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L258 S260 K265 K266 L267 | L258-A263 HydrophobicContact CB-CB 4.06Å; L258-A263 HydrophobicContact CD2-CB 4.08Å; S260-A263 PolarHBondContact O-N 3.06Å; S260-A263 PolarHBondContact OG-N 3.48Å; S260-A263 VanDerWaalsContact OG-N 3.09Å; A263-K265 VanDerWaalsContact C-N 3.28Å; A263-K265 PolarHBondContact O-N 2.92Å; A263-K266 WeakPolarHBondContact O-CB 3.41Å; A263-K266 PolarHBondContact O-N 3.34Å; A263-K266 VanDerWaalsContact O-N 3.08Å; A263-L267 PolarHBondContact O-N 3.29Å |
| 264 | A | 95.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -39.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y233 L258 S260 Y261 W268 | Y233-A264 HydrophobicContact CD2-CB 4.14Å; L258-A264 HydrophobicContact CB-CB 4.33Å; L258-A264 HydrophobicContact CD1-CB 4.33Å; S260-A264 PolarHBondContact O-N 3.2Å; Y261-A264 PolarHBondContact O-N 2.83Å; A264-W268 VanDerWaalsContact O-CB 3.27Å; A264-W268 WeakPolarHBondContact O-CB 3.15Å; A264-W268 PolarHBondContact O-N 2.89Å |
| 265 | K | 92.9 | Very high | 94.6 | Very high | 76 Ų | 76 | 39 Ų | 39 | 33% | 0.33 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.9 | -34.9 | 174.5 | -172.6 | 169.8 | -167.2 | 168.3 | 0 | 113.4 | Y233 Y261 R262 A263 K269 | Y233-K265 HydrophobicContact CD2-CB 4.34Å; Y233-K265 HydrophobicContact CE2-CB 3.67Å; Y233-K265 HydrophobicContact CE2-CD 4.4Å; Y233-K265 HydrophobicContact CE2-CG 4.05Å; Y233-K265 WeakPolarHBondContact OH-CG 3.38Å; Y261-K265 HydrophobicContact CE1-CD 3.79Å; Y261-K265 WeakPolarHBondContact O-CB 3.38Å; Y261-K265 PolarHBondContact O-N 3.45Å; Y261-K265 PolarHBondContact OH-NZ 3.11Å; R262-K265 PolarHBondContact O-N 3.48Å; A263-K265 VanDerWaalsContact C-N 3.28Å; A263-K265 PolarHBondContact O-N 2.92Å; K265-K269 WeakPolarHBondContact O-CB 3.18Å; K265-K269 WeakPolarHBondContact O-CG 3.33Å; K265-K269 PolarHBondContact O-N 3.49Å |
| 266 | K | 92.6 | Very high | 94.4 | Very high | 51 Ų | 51 | 39 Ų | 39 | 22% | 0.222 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65 | -55 | 175.1 | -171.6 | -171.1 | -175.5 | -175.8 | 0 | 110.1 | S52 K53 R262 A263 W268 K269 V270 | S52-K266 PolarHBondContact OG-NZ 3.46Å; K53-K266 WeakPolarHBondContact O-CE 3.44Å; K53-K266 PolarHBondContact O-NZ 2.9Å; R262-K266 WeakPolarHBondContact O-CB 3.28Å; R262-K266 PolarHBondContact O-N 3.14Å; A263-K266 WeakPolarHBondContact O-CB 3.41Å; A263-K266 PolarHBondContact O-N 3.34Å; A263-K266 VanDerWaalsContact O-N 3.08Å; K266-W268 PolarHBondContact O-N 2.81Å; K266-K269 WeakPolarHBondContact O-CB 3.47Å; K266-K269 PolarHBondContact O-N 3.3Å; K266-V270 WeakPolarHBondContact O-CG2 2.9Å; K266-V270 PolarHBondContact O-N 2.73Å |
| 267 | L | 95.2 | Very high | 94.3 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.8 | -50.1 | 175.9 | 174.8 | 62.9 | 0 | 0 | 0 | 111.2 | H192 L204 V206 F238 L258 A263 K269 V270 C271 | H192-L267 HydrophobicContact CB-CD1 4.17Å; L204-L267 HydrophobicContact CB-CD2 4.47Å; L204-L267 HydrophobicContact CD1-CD2 3.57Å; V206-L267 HydrophobicContact CG2-CD1 3.53Å; F238-L267 HydrophobicContact CB-CD2 4.25Å; F238-L267 HydrophobicContact CD1-CD2 3.58Å; F238-L267 HydrophobicContact CD1-CG 4.39Å; F238-L267 HydrophobicContact CD2-CD2 4.19Å; F238-L267 HydrophobicContact CD2-CG 4.35Å; F238-L267 HydrophobicContact CE1-CD2 3.9Å; F238-L267 HydrophobicContact CE1-CG 4.35Å; F238-L267 HydrophobicContact CE2-CD2 4.47Å; F238-L267 HydrophobicContact CE2-CG 4.32Å; F238-L267 HydrophobicContact CG-CD2 3.75Å; F238-L267 HydrophobicContact CG-CG 4.4Å; F238-L267 HydrophobicContact CZ-CD2 4.34Å; F238-L267 HydrophobicContact CZ-CG 4.32Å; L258-L267 HydrophobicContact CD1-CD2 4Å; L258-L267 HydrophobicContact CD2-CB 4.03Å; L258-L267 HydrophobicContact CD2-CD2 3.88Å; A263-L267 PolarHBondContact O-N 3.29Å; L267-K269 VanDerWaalsContact C-N 3.32Å; L267-K269 PolarHBondContact O-N 2.68Å; L267-V270 PolarHBondContact O-N 2.91Å; L267-V270 VanDerWaalsContact O-N 3.13Å; L267-C271 VanDerWaalsContact CD1-SG 3.6Å; L267-C271 PolarHBondContact O-N 3.35Å; L267-C271 PolarHBondContact O-SG 3.12Å |
| 268 | W | 95.2 | Very high | 94.1 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.8 | -43.1 | 178.5 | 171.4 | 77 | 0 | 0 | 0 | 112.7 | I231 Y233 F238 A264 K266 V272 S296 F298 I412 | I231-W268 PolarHBondContact O-NE1 3.36Å; Y233-W268 HydrophobicContact CD1-CB 3.59Å; Y233-W268 AromaticContact CD1-CD1 3.91Å; Y233-W268 AromaticContact CD1-CD2 3.69Å; Y233-W268 HydrophobicContact CD1-CD2 3.69Å; Y233-W268 HydrophobicContact CD1-CE3 4.13Å; Y233-W268 AromaticContact CD1-CG 3.38Å; Y233-W268 HydrophobicContact CD1-CG 3.38Å; Y233-W268 HydrophobicContact CE1-CB 4.16Å; Y233-W268 AromaticContact CE1-CD2 3.55Å; Y233-W268 HydrophobicContact CE1-CD2 3.55Å; Y233-W268 AromaticContact CE1-CE3 3.54Å; Y233-W268 HydrophobicContact CE1-CE3 3.54Å; Y233-W268 AromaticContact CE1-CG 3.79Å; Y233-W268 HydrophobicContact CE1-CG 3.79Å; Y233-W268 HydrophobicContact CE1-CZ3 4.32Å; Y233-W268 HydrophobicContact CG-CB 4.12Å; Y233-W268 HydrophobicContact CG-CG 4.34Å; F238-W268 HydrophobicContact CD2-CB 4.2Å; F238-W268 HydrophobicContact CE2-CB 4.15Å; A264-W268 VanDerWaalsContact O-CB 3.27Å; A264-W268 WeakPolarHBondContact O-CB 3.15Å; A264-W268 PolarHBondContact O-N 2.89Å; K266-W268 PolarHBondContact O-N 2.81Å; W268-V272 HydrophobicContact CD2-CG2 4.36Å; W268-V272 HydrophobicContact CH2-CG2 4.45Å; W268-V272 HydrophobicContact CZ2-CG2 3.63Å; W268-V272 WeakPolarHBondContact O-CG2 3.49Å; W268-V272 PolarHBondContact O-N 2.74Å; W268-V272 VanDerWaalsContact O-N 3.08Å; W268-S296 WeakPolarHBondContact CH2-OG 3.45Å; W268-S296 WeakPolarHBondContact CZ3-OG 3.38Å; W268-F298 HydrophobicContact CH2-CB 4.15Å; W268-F298 AromaticContact CH2-CD1 3.81Å; W268-F298 HydrophobicContact CH2-CD1 3.81Å; W268-F298 HydrophobicContact CH2-CG 4.46Å; W268-F298 HydrophobicContact CZ3-CB 4.15Å; W268-F298 AromaticContact CZ3-CD1 3.84Å; W268-F298 HydrophobicContact CZ3-CD1 3.84Å; W268-F298 HydrophobicContact CZ3-CG 4.38Å; W268-I412 HydrophobicContact CD2-CD1 4.12Å; W268-I412 HydrophobicContact CH2-CD1 4.18Å; W268-I412 HydrophobicContact CH2-CG2 4.19Å; W268-I412 HydrophobicContact CZ2-CB 4.38Å; W268-I412 HydrophobicContact CZ2-CD1 3.63Å; W268-I412 HydrophobicContact CZ2-CG1 4.47Å; W268-I412 HydrophobicContact CZ2-CG2 3.58Å |
| 269 | K | 92.9 | Very high | 93.8 | Very high | 48 Ų | 48 | 39 Ų | 39 | 21% | 0.209 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -58.5 | -54 | 172.8 | -85.3 | -176.7 | 136 | -130.8 | 0 | 111.3 | D57 K265 K266 L267 C271 V272 E273 F298 | D57-K269 IonicContact OD2-NZ 3.23Å; D57-K269 PolarHBondContact OD2-NZ 2.82Å; K265-K269 WeakPolarHBondContact O-CB 3.18Å; K265-K269 WeakPolarHBondContact O-CG 3.33Å; K265-K269 PolarHBondContact O-N 3.49Å; K266-K269 WeakPolarHBondContact O-CB 3.47Å; K266-K269 PolarHBondContact O-N 3.3Å; L267-K269 VanDerWaalsContact C-N 3.32Å; L267-K269 PolarHBondContact O-N 2.68Å; K269-C271 VanDerWaalsContact C-N 3.29Å; K269-C271 PolarHBondContact O-N 2.7Å; K269-V272 PolarHBondContact O-N 2.98Å; K269-V272 VanDerWaalsContact O-N 3.09Å; K269-E273 WeakPolarHBondContact O-CG 3.49Å; K269-E273 PolarHBondContact O-N 3.29Å; K269-F298 HydrophobicContact CB-CE1 4.28Å; K269-F298 VanDerWaalsContact CE-CD2 3.41Å; K269-F298 HydrophobicContact CG-CD1 3.9Å; K269-F298 HydrophobicContact CG-CE1 3.87Å; K269-F298 HydrophobicContact CG-CG 4.32Å; K269-F298 HydrophobicContact CG-CZ 4.28Å |
| 270 | V | 94.6 | Very high | 93.4 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.024 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.1 | -43 | -176.4 | 173.1 | 0 | 0 | 0 | 0 | 111.1 | D190 V206 K266 L267 E273 H274 | D190-V270 HydrophobicContact CB-CG1 4.44Å; D190-V270 WeakPolarHBondContact OD2-CG1 3.41Å; V206-V270 HydrophobicContact CB-CG1 4.04Å; V206-V270 HydrophobicContact CG1-CG1 4.06Å; V206-V270 HydrophobicContact CG2-CG1 4.25Å; K266-V270 WeakPolarHBondContact O-CG2 2.9Å; K266-V270 PolarHBondContact O-N 2.73Å; L267-V270 PolarHBondContact O-N 2.91Å; L267-V270 VanDerWaalsContact O-N 3.13Å; V270-E273 PolarHBondContact O-N 3.42Å; V270-H274 WeakPolarHBondContact O-CB 3.33Å; V270-H274 PolarHBondContact O-N 3.43Å; V270-H274 PolarHBondContact O-ND1 3.26Å |
| 271 | C | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 176.4 | -63 | 0 | 0 | 0 | 0 | 113.2 | V206 W225 I231 L267 K269 H275 | V206-C271 WeakPolarHBondContact CG2-SG 3.32Å; W225-C271 HydrophobicContact CH2-CB 4Å; W225-C271 HydrophobicContact CZ3-CB 4.46Å; I231-C271 HydrophobicContact CD1-CB 3.43Å; I231-C271 VanDerWaalsContact CD1-CB 3.43Å; L267-C271 VanDerWaalsContact CD1-SG 3.6Å; L267-C271 PolarHBondContact O-N 3.35Å; L267-C271 PolarHBondContact O-SG 3.12Å; K269-C271 VanDerWaalsContact C-N 3.29Å; K269-C271 PolarHBondContact O-N 2.7Å; C271-H275 WeakPolarHBondContact O-CB 3.39Å; C271-H275 PolarHBondContact O-N 2.64Å |
| 272 | V | 92.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.6 | -44.6 | 174.5 | 166 | 0 | 0 | 0 | 0 | 111.1 | I231 W268 K269 T276 F298 H414 | I231-V272 HydrophobicContact CD1-CB 4.45Å; I231-V272 HydrophobicContact CD1-CG2 3.65Å; I231-V272 HydrophobicContact CG1-CG2 4.29Å; W268-V272 HydrophobicContact CD2-CG2 4.36Å; W268-V272 HydrophobicContact CH2-CG2 4.45Å; W268-V272 HydrophobicContact CZ2-CG2 3.63Å; W268-V272 WeakPolarHBondContact O-CG2 3.49Å; W268-V272 PolarHBondContact O-N 2.74Å; W268-V272 VanDerWaalsContact O-N 3.08Å; K269-V272 PolarHBondContact O-N 2.98Å; K269-V272 VanDerWaalsContact O-N 3.09Å; V272-T276 VanDerWaalsContact O-CB 3.29Å; V272-T276 WeakPolarHBondContact O-CB 3.47Å; V272-T276 PolarHBondContact O-N 3.3Å; V272-T276 PolarHBondContact O-OG1 3.14Å; V272-F298 HydrophobicContact CG1-CE1 4.34Å; V272-H414 VanDerWaalsContact CG1-CD2 3.49Å; V272-H414 WeakPolarHBondContact CG1-CD2 3.24Å; V272-H414 HydrophobicContact CG2-CB 4.44Å |
| 273 | E | 93.6 | Very high | 91.5 | Very high | 16 Ų | 16 | 26.1 Ų | 26.1 | 8% | 0.075 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 178.7 | -68.5 | -171.1 | 130.3 | 0 | 0 | 111.4 | K78 F79 K269 V270 T276 F277 F298 Y300 | K78-E273 VanDerWaalsContact CE-OE2 3.22Å; K78-E273 WeakPolarHBondContact CE-OE2 3.24Å; K78-E273 IonicContact NZ-OE1 2.65Å; K78-E273 PolarHBondContact NZ-OE1 3.06Å; K78-E273 IonicContact NZ-OE2 2.67Å; K78-E273 PolarHBondContact NZ-OE2 3.31Å; K78-E273 VanDerWaalsContact NZ-OE2 3.08Å; F79-E273 HydrophobicContact CE1-CB 4.05Å; F79-E273 HydrophobicContact CZ-CB 4Å; K269-E273 WeakPolarHBondContact O-CG 3.49Å; K269-E273 PolarHBondContact O-N 3.29Å; V270-E273 PolarHBondContact O-N 3.42Å; E273-T276 PolarHBondContact O-N 3.46Å; E273-F277 WeakPolarHBondContact O-CB 3.38Å; E273-F277 PolarHBondContact O-N 2.86Å; E273-F298 HydrophobicContact CG-CE1 4.06Å; E273-F298 HydrophobicContact CG-CZ 3.81Å; E273-Y300 HydrophobicContact CB-CD2 4.24Å; E273-Y300 HydrophobicContact CG-CD2 3.98Å |
| 274 | H | 95.3 | Very high | 89.9 | Confident | 7 Ų | 7 | 30.5 Ų | 30.5 | 3% | 0.032 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.1 | -45.8 | 178.9 | -80.9 | 70.9 | 0 | 0 | 0 | 112.7 | F79 V206 W225 V270 F277 F278 | F79-H274 AromaticContact CD1-CE1 3.9Å; F79-H274 AromaticContact CD1-NE2 3.89Å; F79-H274 AromaticContact CE1-CE1 4Å; F79-H274 AromaticContact CE1-ND1 3.88Å; V206-H274 HydrophobicContact CG1-CB 4.05Å; W225-H274 HydrophobicContact CZ2-CB 3.8Å; V270-H274 WeakPolarHBondContact O-CB 3.33Å; V270-H274 PolarHBondContact O-N 3.43Å; V270-H274 PolarHBondContact O-ND1 3.26Å; H274-F277 PolarHBondContact O-N 3.35Å; H274-F278 HydrophobicContact CB-CD2 4.49Å; H274-F278 AromaticContact CD2-CE2 3.82Å; H274-F278 WeakPolarHBondContact O-CB 3.49Å; H274-F278 WeakPolarHBondContact O-CD2 3.31Å; H274-F278 PolarHBondContact O-N 3.25Å |
| 275 | H | 92.1 | Very high | 87.7 | Confident | 7 Ų | 7 | 35.3 Ų | 35.3 | 3% | 0.032 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.9 | -47.9 | 175.5 | -179.2 | -74.7 | 0 | 0 | 0 | 111.1 | W225 C271 F277 R279 M418 | W225-H275 HydrophobicContact CD2-CB 4.17Å; W225-H275 HydrophobicContact CE3-CB 4Å; W225-H275 AromaticContact CE3-CD2 3.8Å; W225-H275 HydrophobicContact CZ3-CB 4.23Å; C271-H275 WeakPolarHBondContact O-CB 3.39Å; C271-H275 PolarHBondContact O-N 2.64Å; H275-F277 VanDerWaalsContact C-N 3.33Å; H275-F277 PolarHBondContact O-N 3.01Å; H275-R279 WeakPolarHBondContact O-CA 3.17Å; H275-R279 VanDerWaalsContact O-CB 3.22Å; H275-R279 WeakPolarHBondContact O-CB 3.21Å; H275-R279 PolarHBondContact O-N 2.82Å; H275-M418 HydrophobicContact CB-CE 3.79Å |
| 276 | T | 91.3 | Very high | 85.5 | Confident | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.018 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | -179 | -53.7 | 0 | 0 | 0 | 0 | 111.3 | V272 E273 L280 T283 Y300 T304 L417 | V272-T276 VanDerWaalsContact O-CB 3.29Å; V272-T276 WeakPolarHBondContact O-CB 3.47Å; V272-T276 PolarHBondContact O-N 3.3Å; V272-T276 PolarHBondContact O-OG1 3.14Å; E273-T276 PolarHBondContact O-N 3.46Å; T276-L280 HydrophobicContact CG2-CD1 4.23Å; T276-T283 HydrophobicContact CG2-CG2 4.19Å; T276-Y300 HydrophobicContact CG2-CD1 3.53Å; T276-Y300 HydrophobicContact CG2-CE1 4.39Å; T276-Y300 HydrophobicContact CG2-CG 4.09Å; T276-T304 WeakPolarHBondContact O-CG2 3.36Å; T276-L417 HydrophobicContact CG2-CD2 4.23Å |
| 277 | F | 94.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -52.2 | -179.8 | -173.6 | -102.4 | 0 | 0 | 0 | 112.5 | D40 Y41 F79 E273 H274 H275 R303 Q305 | D40-F277 HydrophobicContact CB-CE2 3.89Å; Y41-F277 AromaticContact CD1-CE1 3.83Å; Y41-F277 HydrophobicContact CD1-CE1 3.83Å; Y41-F277 AromaticContact CD1-CZ 3.64Å; Y41-F277 HydrophobicContact CD1-CZ 3.64Å; Y41-F277 AromaticContact CE1-CE1 3.76Å; Y41-F277 HydrophobicContact CE1-CE1 3.76Å; Y41-F277 AromaticContact CE1-CZ 3.63Å; Y41-F277 HydrophobicContact CE1-CZ 3.63Å; Y41-F277 HydrophobicContact CG-CZ 4.4Å; F79-F277 HydrophobicContact CB-CD1 3.6Å; F79-F277 HydrophobicContact CB-CE1 3.53Å; F79-F277 HydrophobicContact CB-CG 4.33Å; F79-F277 HydrophobicContact CB-CZ 4.23Å; F79-F277 HydrophobicContact CD1-CB 4.21Å; F79-F277 HydrophobicContact CD1-CD1 4.1Å; F79-F277 HydrophobicContact CD1-CG 4.22Å; F79-F277 HydrophobicContact CD2-CB 4.26Å; F79-F277 AromaticContact CD2-CD1 3.79Å; F79-F277 HydrophobicContact CD2-CD1 3.79Å; F79-F277 AromaticContact CD2-CD2 3.76Å; F79-F277 HydrophobicContact CD2-CD2 3.76Å; F79-F277 HydrophobicContact CD2-CE1 4.02Å; F79-F277 HydrophobicContact CD2-CE2 4.01Å; F79-F277 AromaticContact CD2-CG 3.65Å; F79-F277 HydrophobicContact CD2-CG 3.65Å; F79-F277 HydrophobicContact CD2-CZ 4.12Å; F79-F277 HydrophobicContact CE1-CB 4.03Å; F79-F277 HydrophobicContact CE1-CG 4.41Å; F79-F277 HydrophobicContact CE2-CB 4.1Å; F79-F277 HydrophobicContact CE2-CD1 4.46Å; F79-F277 AromaticContact CE2-CD2 3.88Å; F79-F277 HydrophobicContact CE2-CD2 3.88Å; F79-F277 HydrophobicContact CE2-CE2 4.45Å; F79-F277 AromaticContact CE2-CG 3.88Å; F79-F277 HydrophobicContact CE2-CG 3.88Å; F79-F277 HydrophobicContact CG-CB 4.31Å; F79-F277 AromaticContact CG-CD1 3.58Å; F79-F277 HydrophobicContact CG-CD1 3.58Å; F79-F277 HydrophobicContact CG-CD2 4.39Å; F79-F277 AromaticContact CG-CE1 3.93Å; F79-F277 HydrophobicContact CG-CE1 3.93Å; F79-F277 AromaticContact CG-CG 3.83Å; F79-F277 HydrophobicContact CG-CG 3.83Å; F79-F277 HydrophobicContact CG-CZ 4.48Å; F79-F277 HydrophobicContact CZ-CB 3.97Å; F79-F277 HydrophobicContact CZ-CG 4.25Å; E273-F277 WeakPolarHBondContact O-CB 3.38Å; E273-F277 PolarHBondContact O-N 2.86Å; H274-F277 PolarHBondContact O-N 3.35Å; H275-F277 VanDerWaalsContact C-N 3.33Å; H275-F277 PolarHBondContact O-N 3.01Å; F277-R303 VanDerWaalsContact CD2-O 3.28Å; F277-R303 WeakPolarHBondContact CD2-O 3.21Å; F277-R303 WeakPolarHBondContact CE2-O 3.28Å; F277-Q305 HydrophobicContact CD1-CB 4.1Å; F277-Q305 HydrophobicContact CE1-CB 3.76Å; F277-Q305 HydrophobicContact CE1-CG 3.94Å; F277-Q305 HydrophobicContact CE2-CB 4.35Å; F277-Q305 HydrophobicContact CZ-CB 3.9Å; F277-Q305 HydrophobicContact CZ-CG 4.06Å; F277-Q305 VanDerWaalsContact O-CB 3.3Å; F277-Q305 WeakPolarHBondContact O-CB 3.44Å; F277-Q305 PolarHBondContact O-N 3.24Å |
| 278 | F | 93.9 | Very high | 81 | Confident | 32 Ų | 32 | 44.9 Ų | 44.9 | 14% | 0.14 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -87.6 | -23 | -171.1 | -71.1 | -69.7 | 0 | 0 | 0 | 115.2 | F79 Y80 H274 | F79-F278 HydrophobicContact CB-CE2 3.86Å; F79-F278 HydrophobicContact CB-CZ 3.65Å; F79-F278 AromaticContact CD1-CE2 3.99Å; F79-F278 HydrophobicContact CD1-CE2 3.99Å; F79-F278 HydrophobicContact CG-CE2 4.29Å; Y80-F278 WeakPolarHBondContact O-CZ 3.44Å; H274-F278 HydrophobicContact CB-CD2 4.49Å; H274-F278 AromaticContact CD2-CE2 3.82Å; H274-F278 WeakPolarHBondContact O-CB 3.49Å; H274-F278 WeakPolarHBondContact O-CD2 3.31Å; H274-F278 PolarHBondContact O-N 3.25Å |
| 279 | R | 89.5 | Confident | 78.7 | Confident | 85 Ų | 85 | 47.7 Ų | 47.7 | 32% | 0.321 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -106.1 | -24.9 | -172.4 | -172.6 | 54.8 | -170.8 | 77.9 | -0.4 | 114.8 | H275 D421 | H275-R279 WeakPolarHBondContact O-CA 3.17Å; H275-R279 VanDerWaalsContact O-CB 3.22Å; H275-R279 WeakPolarHBondContact O-CB 3.21Å; H275-R279 PolarHBondContact O-N 2.82Å; R279-D421 IonicContact CZ-OD2 2.61Å; R279-D421 IonicContact NH1-OD1 2.65Å; R279-D421 PolarHBondContact NH1-OD1 3.48Å; R279-D421 IonicContact NH1-OD2 3.82Å; R279-D421 PolarHBondContact NH1-OD2 3.08Å; R279-D421 IonicContact NH2-OD2 2.62Å; R279-D421 PolarHBondContact NH2-OD2 3.48Å |
| 280 | L | 86.9 | Confident | 76.7 | Confident | 14 Ų | 14 | 55.3 Ų | 55.3 | 7% | 0.073 | 29% | 0.29 | C | S | . | . | trans | -102.7 | 148.1 | -171.5 | -58.6 | -178 | 0 | 0 | 0 | 113.2 | T276 T304 L417 | T276-L280 HydrophobicContact CG2-CD1 4.23Å; L280-T304 HydrophobicContact CB-CG2 4.29Å; L280-T304 WeakPolarHBondContact O-CB 3.48Å; L280-T304 WeakPolarHBondContact O-CG2 3.4Å; L280-T304 PolarHBondContact O-OG1 3.24Å; L280-T304 VanDerWaalsContact O-OG1 3.09Å; L280-L417 HydrophobicContact CD1-CD2 3.51Å; L280-L417 HydrophobicContact CD1-CG 3.57Å; L280-L417 WeakPolarHBondContact CD1-O 3.36Å | ||
| 281 | T | 84.9 | Confident | 74.5 | Confident | 96 Ų | 96 | 63.3 Ų | 63.3 | 59% | 0.589 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -77 | -28.9 | 178.4 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | T304 Q307 | T281-T304 PolarHBondContact O-OG1 2.94Å; T281-Q307 WeakPolarHBondContact O-CG 3.47Å |
| 282 | S | 82.3 | Confident | 72.3 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 32% | 0.315 | 37% | 0.369 | S | S | . | . | trans | -150.8 | 167.2 | 177.8 | 54.5 | 0 | 0 | 0 | 0 | 112.5 | D284 | S282-D284 PolarHBondContact OG-O 3.3Š| ||
| 283 | T | 76 | Confident | 69.9 | Low | 39 Ų | 39 | 74 Ų | 74 | 24% | 0.239 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -93.9 | -8.7 | 172.2 | 51.5 | 0 | 0 | 0 | 0 | 114.6 | T276 Y300 G302 T304 | T276-T283 HydrophobicContact CG2-CG2 4.19Å; T283-Y300 HydrophobicContact CG2-CD1 3.88Å; T283-Y300 HydrophobicContact CG2-CE1 4.17Å; T283-G302 VanDerWaalsContact CG2-O 3.23Å; T283-G302 WeakPolarHBondContact CG2-O 3.39Å; T283-T304 HydrophobicContact CG2-CG2 3.9Å |
| 284 | D | 60.7 | Low | 67.5 | Low | 116 Ų | 116 | 81.1 Ų | 81.1 | 62% | 0.62 | 43% | 0.425 | S | S | * | . | trans | -109.4 | 136.6 | 177.1 | -76.3 | -52.7 | 0 | 0 | 0 | 108.2 | S282 | S282-D284 PolarHBondContact OG-O 3.3Š| ||
| 285 | T | 49.1 | Very low | 65.3 | Low | 101 Ų | 101 | 82.2 Ų | 82.2 | 62% | 0.62 | 44% | 0.439 | S | S | * | . | cis | -142 | 134.7 | 12.5 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 286 | I | 47.3 | Very low | 63.6 | Low | 29 Ų | 29 | 83.1 Ų | 83.1 | 15% | 0.149 | 45% | 0.445 | C | S | . | . | trans | -104.6 | 115.8 | 150.8 | -63 | 176.3 | 0 | 0 | 0 | 107.9 | N416 L417 E420 | I286-N416 HydrophobicContact CD1-CB 4.3Å; I286-L417 HydrophobicContact CD1-CD1 4Å; I286-L417 HydrophobicContact CG1-CD1 4.23Å; I286-E420 WeakPolarHBondContact CD1-OE1 3.33Å; I286-E420 WeakPolarHBondContact CG1-OE1 3.39Å | ||
| 287 | P | 45.5 | Very low | 62.1 | Low | 99 Ų | 99 | 91.6 Ų | 91.6 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | trans | -50.2 | 143.1 | 175.8 | -29.5 | 35.7 | 0 | 0 | 0 | 112.9 | S289 | P287-S289 PolarHBondContact O-N 2.85Š| ||
| 288 | K | 47.3 | Very low | 61.1 | Low | 201 Ų | 201 | 92.7 Ų | 92.7 | 87% | 0.874 | 49% | 0.487 | S | S | * | . | trans | -71 | 67.2 | -178.2 | -65.1 | 176.2 | -177.6 | 170.4 | 0 | 111.5 | K290 | K288-K290 PolarHBondContact O-N 2.69Š| ||
| 289 | S | 47.6 | Very low | 60.2 | Low | 60 Ų | 60 | 96.6 Ų | 96.6 | 42% | 0.42 | 50% | 0.501 | S | S | . | . | trans | -63.1 | 124.7 | 179.7 | 89.5 | 0 | 0 | 0 | 0 | 109.8 | P287 F291 R413 | P287-S289 PolarHBondContact O-N 2.85Å; S289-F291 PolarHBondContact O-N 3.47Å; S289-R413 PolarHBondContact O-NH2 3.06Å; S289-R413 PolarHBondContact OG-NH1 2.8Å; S289-R413 PolarHBondContact OG-NH2 3.44Å; S289-R413 VanDerWaalsContact OG-NH2 3.1Å | ||
| 290 | K | 50.3 | Low | 59.9 | Low | 207 Ų | 207 | 93.8 Ų | 93.8 | 90% | 0.9 | 49% | 0.49 | S | S | * | . | trans | -71.8 | 8.3 | -159 | -59 | 179.3 | -179.2 | 177.5 | 0 | 115.1 | K288 | K288-K290 PolarHBondContact O-N 2.69Š| ||
| 291 | F | 47.7 | Very low | 59.5 | Low | 173 Ų | 173 | 96.7 Ų | 96.7 | 76% | 0.759 | 51% | 0.512 | S | S | * | . | S | Bend | trans | -84.5 | 135.4 | -179.5 | -69.5 | -82.6 | 0 | 0 | 0 | 112.2 | S289 A293 R413 | S289-F291 PolarHBondContact O-N 3.47Å; F291-A293 PolarHBondContact O-N 3.11Å; F291-R413 PolarHBondContact O-NH2 3.45Å |
| 292 | L | 48.9 | Very low | 59.5 | Low | 176 Ų | 176 | 93.2 Ų | 93.2 | 92% | 0.921 | 50% | 0.495 | S | S | * | . | trans | -59.6 | 99 | 179.2 | -65.3 | 172.8 | 0 | 0 | 0 | 111 | L294 | L292-L294 PolarHBondContact O-N 3.22Š| ||
| 293 | A | 43 | Very low | 59.9 | Low | 49 Ų | 49 | 94.9 Ų | 94.9 | 41% | 0.405 | 49% | 0.494 | S | S | . | . | trans | -76.7 | 93.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F291 G295 | F291-A293 PolarHBondContact O-N 3.11Å; A293-G295 PolarHBondContact O-N 3.46Å | ||
| 294 | L | 42.9 | Very low | 60.8 | Low | 165 Ų | 165 | 93 Ų | 93 | 86% | 0.864 | 48% | 0.483 | S | S | * | . | trans | -76.1 | 72.6 | 173.4 | -156.4 | 78.2 | 0 | 0 | 0 | 110.4 | L292 | L292-L294 PolarHBondContact O-N 3.22Š| ||
| 295 | G | 50 | Low | 62.4 | Low | 30 Ų | 30 | 88.2 Ų | 88.2 | 31% | 0.309 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -167 | -176.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A293 K297 | A293-G295 PolarHBondContact O-N 3.46Å; G295-K297 PolarHBondContact O-N 2.93Å |
| 296 | S | 54.3 | Low | 64.4 | Low | 25 Ų | 25 | 85.1 Ų | 85.1 | 18% | 0.175 | 44% | 0.441 | C | S | . | . | trans | -64 | 102 | 179.9 | -167.2 | 0 | 0 | 0 | 0 | 111.1 | W268 F298 | W268-S296 WeakPolarHBondContact CH2-OG 3.45Å; W268-S296 WeakPolarHBondContact CZ3-OG 3.38Å; S296-F298 PolarHBondContact O-N 3.34Å | ||
| 297 | K | 61.5 | Low | 66.6 | Low | 182 Ų | 182 | 86 Ų | 86 | 79% | 0.791 | 45% | 0.445 | S | S | * | . | trans | -72.4 | -3.8 | 178.7 | -63.2 | -177.4 | -178 | 176.4 | 0 | 114.2 | G295 R299 | G295-K297 PolarHBondContact O-N 2.93Å; K297-R299 PolarHBondContact O-N 3.29Å | ||
| 298 | F | 73.3 | Confident | 68.9 | Low | 22 Ų | 22 | 81.3 Ų | 81.3 | 10% | 0.096 | 41% | 0.414 | C | S | . | . | trans | -63.2 | 122.4 | 176.4 | 173.4 | -97.2 | 0 | 0 | 0 | 110.1 | W268 K269 V272 E273 S296 H414 | W268-F298 HydrophobicContact CH2-CB 4.15Å; W268-F298 AromaticContact CH2-CD1 3.81Å; W268-F298 HydrophobicContact CH2-CD1 3.81Å; W268-F298 HydrophobicContact CH2-CG 4.46Å; W268-F298 HydrophobicContact CZ3-CB 4.15Å; W268-F298 AromaticContact CZ3-CD1 3.84Å; W268-F298 HydrophobicContact CZ3-CD1 3.84Å; W268-F298 HydrophobicContact CZ3-CG 4.38Å; K269-F298 HydrophobicContact CB-CE1 4.28Å; K269-F298 VanDerWaalsContact CE-CD2 3.41Å; K269-F298 HydrophobicContact CG-CD1 3.9Å; K269-F298 HydrophobicContact CG-CE1 3.87Å; K269-F298 HydrophobicContact CG-CG 4.32Å; K269-F298 HydrophobicContact CG-CZ 4.28Å; V272-F298 HydrophobicContact CG1-CE1 4.34Å; E273-F298 HydrophobicContact CG-CE1 4.06Å; E273-F298 HydrophobicContact CG-CZ 3.81Å; S296-F298 PolarHBondContact O-N 3.34Å; F298-H414 PolarHBondContact O-CE1 2.91Å | ||
| 299 | R | 74.8 | Confident | 71.2 | Confident | 115 Ų | 115 | 75.2 Ų | 75.2 | 43% | 0.434 | 39% | 0.386 | S | S | . | . | trans | -116.4 | 155.7 | 163 | -61.4 | -174.8 | -179.4 | -161.7 | 0.2 | 108.1 | K297 | K297-R299 PolarHBondContact O-N 3.29Š| ||
| 300 | Y | 83.2 | Confident | 73.3 | Confident | 25 Ų | 25 | 78.6 Ų | 78.6 | 10% | 0.098 | 40% | 0.395 | C | S | . | . | trans | -66.1 | 153 | 161.9 | 179.3 | -105.3 | 0 | 0 | 0 | 110.1 | F79 E273 T276 T283 G302 R303 | F79-Y300 AromaticContact CE2-CE2 3.93Å; F79-Y300 HydrophobicContact CE2-CE2 3.93Å; F79-Y300 AromaticContact CZ-CE2 3.82Å; F79-Y300 HydrophobicContact CZ-CE2 3.82Å; E273-Y300 HydrophobicContact CB-CD2 4.24Å; E273-Y300 HydrophobicContact CG-CD2 3.98Å; T276-Y300 HydrophobicContact CG2-CD1 3.53Å; T276-Y300 HydrophobicContact CG2-CE1 4.39Å; T276-Y300 HydrophobicContact CG2-CG 4.09Å; T283-Y300 HydrophobicContact CG2-CD1 3.88Å; T283-Y300 HydrophobicContact CG2-CE1 4.17Å; Y300-G302 VanDerWaalsContact CE1-C 3.5Å; Y300-G302 VanDerWaalsContact CE1-O 3.28Å; Y300-G302 WeakPolarHBondContact CE1-O 3.28Å; Y300-R303 PolarHBondContact OH-O 2.99Å | ||
| 301 | S | 77.9 | Confident | 75.3 | Confident | 75 Ų | 75 | 70.2 Ų | 70.2 | 52% | 0.524 | 36% | 0.364 | S | S | . | . | trans | -150.8 | 20.9 | -171 | 74.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 302 | G | 85.6 | Confident | 77.5 | Confident | 23 Ų | 23 | 62.2 Ų | 62.2 | 24% | 0.237 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -99.1 | -171 | 164.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | T283 Y300 | T283-G302 VanDerWaalsContact CG2-O 3.23Å; T283-G302 WeakPolarHBondContact CG2-O 3.39Å; Y300-G302 VanDerWaalsContact CE1-C 3.5Å; Y300-G302 VanDerWaalsContact CE1-O 3.28Å; Y300-G302 WeakPolarHBondContact CE1-O 3.28Å |
| 303 | R | 91 | Very high | 79.5 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 30% | 0.302 | 32% | 0.319 | S | S | . | . | trans | -76.1 | 149.4 | 171.4 | -64 | -178 | -72.1 | -161.1 | -0.1 | 110.1 | D40 F277 Y300 Q307 | D40-R303 WeakPolarHBondContact OD1-CB 3.32Å; D40-R303 PolarHBondContact OD1-N 3Å; D40-R303 IonicContact OD1-NE 2.7Å; D40-R303 IonicContact OD2-CZ 3.19Å; D40-R303 IonicContact OD2-NE 2.83Å; D40-R303 PolarHBondContact OD2-NE 3.22Å; D40-R303 IonicContact OD2-NH2 2.73Å; D40-R303 PolarHBondContact OD2-NH2 2.73Å; F277-R303 VanDerWaalsContact CD2-O 3.28Å; F277-R303 WeakPolarHBondContact CD2-O 3.21Å; F277-R303 WeakPolarHBondContact CE2-O 3.28Å; Y300-R303 PolarHBondContact OH-O 2.99Å; R303-Q307 HydrophobicContact CB-CB 3.84Å; R303-Q307 HydrophobicContact CG-CB 4.33Å | ||
| 304 | T | 93.8 | Very high | 81.9 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.336 | C | S | . | . | trans | -69.7 | 167.3 | 165 | 70.3 | 0 | 0 | 0 | 0 | 110.5 | T276 L280 T281 T283 A306 Q307 T308 | T276-T304 WeakPolarHBondContact O-CG2 3.36Å; L280-T304 HydrophobicContact CB-CG2 4.29Å; L280-T304 WeakPolarHBondContact O-CB 3.48Å; L280-T304 WeakPolarHBondContact O-CG2 3.4Å; L280-T304 PolarHBondContact O-OG1 3.24Å; L280-T304 VanDerWaalsContact O-OG1 3.09Å; T281-T304 PolarHBondContact O-OG1 2.94Å; T283-T304 HydrophobicContact CG2-CG2 3.9Å; T304-A306 PolarHBondContact O-N 2.91Å; T304-A306 PolarHBondContact OG1-N 3.05Å; T304-Q307 PolarHBondContact O-N 2.68Å; T304-Q307 PolarHBondContact OG1-N 2.93Å; T304-T308 WeakPolarHBondContact O-CB 3.49Å; T304-T308 PolarHBondContact O-N 3.32Å; T304-T308 PolarHBondContact O-OG1 3.26Å | ||
| 305 | Q | 94.3 | Very high | 84.1 | Confident | 16 Ų | 16 | 56.6 Ų | 56.6 | 8% | 0.075 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.9 | -34 | 175.3 | -162.6 | -174.3 | 21.5 | 0 | 0 | 111.6 | Y41 F277 T308 R309 | Y41-Q305 HydrophobicContact CE1-CG 4.11Å; Y41-Q305 PolarHBondContact OH-NE2 2.93Å; F277-Q305 HydrophobicContact CD1-CB 4.1Å; F277-Q305 HydrophobicContact CE1-CB 3.76Å; F277-Q305 HydrophobicContact CE1-CG 3.94Å; F277-Q305 HydrophobicContact CE2-CB 4.35Å; F277-Q305 HydrophobicContact CZ-CB 3.9Å; F277-Q305 HydrophobicContact CZ-CG 4.06Å; F277-Q305 VanDerWaalsContact O-CB 3.3Å; F277-Q305 WeakPolarHBondContact O-CB 3.44Å; F277-Q305 PolarHBondContact O-N 3.24Å; Q305-T308 PolarHBondContact O-N 3.03Å; Q305-R309 WeakPolarHBondContact O-CB 3.4Å; Q305-R309 WeakPolarHBondContact O-CD 3.46Å; Q305-R309 VanDerWaalsContact O-CG 3.26Å; Q305-R309 WeakPolarHBondContact O-CG 3.49Å; Q305-R309 PolarHBondContact O-N 2.98Å |
| 306 | A | 92.3 | Very high | 86 | Confident | 35 Ų | 35 | 63.2 Ų | 63.2 | 29% | 0.289 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -63 | -49.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | T304 T308 R309 Q310 | T304-A306 PolarHBondContact O-N 2.91Å; T304-A306 PolarHBondContact OG1-N 3.05Å; A306-T308 VanDerWaalsContact C-N 3.33Å; A306-T308 PolarHBondContact O-N 3.48Å; A306-R309 PolarHBondContact O-N 3.09Å; A306-Q310 WeakPolarHBondContact O-CG 3.34Å; A306-Q310 PolarHBondContact O-N 3.4Å |
| 307 | Q | 93.8 | Very high | 87.8 | Confident | 49 Ų | 49 | 65.2 Ų | 65.2 | 23% | 0.229 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.6 | -36.2 | 174.9 | -70.4 | 174.2 | -49.4 | 0 | 0 | 112.6 | T281 R303 T304 Q310 A311 | T281-Q307 WeakPolarHBondContact O-CG 3.47Å; R303-Q307 HydrophobicContact CB-CB 3.84Å; R303-Q307 HydrophobicContact CG-CB 4.33Å; T304-Q307 PolarHBondContact O-N 2.68Å; T304-Q307 PolarHBondContact OG1-N 2.93Å; Q307-Q310 PolarHBondContact O-N 3.11Å; Q307-A311 PolarHBondContact O-N 3.46Å |
| 308 | T | 94.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.4 | -50.9 | 176.5 | -54.2 | 0 | 0 | 0 | 0 | 109.5 | D40 Y41 T304 Q305 A306 Q310 A311 S312 | D40-T308 HydrophobicContact CB-CG2 4.23Å; Y41-T308 HydrophobicContact CD2-CG2 4.42Å; Y41-T308 HydrophobicContact CE2-CG2 3.89Å; T304-T308 WeakPolarHBondContact O-CB 3.49Å; T304-T308 PolarHBondContact O-N 3.32Å; T304-T308 PolarHBondContact O-OG1 3.26Å; Q305-T308 PolarHBondContact O-N 3.03Å; A306-T308 VanDerWaalsContact C-N 3.33Å; A306-T308 PolarHBondContact O-N 3.48Å; T308-Q310 PolarHBondContact O-N 3.39Å; T308-A311 CarbonylContact O-C 3.56Å; T308-A311 WeakPolarHBondContact O-CB 3.26Å; T308-A311 PolarHBondContact O-N 3.01Å; T308-A311 VanDerWaalsContact O-N 3.11Å; T308-S312 PolarHBondContact O-N 3.17Å; T308-S312 PolarHBondContact O-OG 3.46Å |
| 309 | R | 93.7 | Very high | 89.3 | Confident | 72 Ų | 72 | 64.8 Ų | 64.8 | 27% | 0.272 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.2 | -39.4 | 177.5 | -71.7 | 165 | 171.7 | -148.2 | -13.3 | 113.3 | Q305 A306 A311 S312 A313 | Q305-R309 WeakPolarHBondContact O-CB 3.4Å; Q305-R309 WeakPolarHBondContact O-CD 3.46Å; Q305-R309 VanDerWaalsContact O-CG 3.26Å; Q305-R309 WeakPolarHBondContact O-CG 3.49Å; Q305-R309 PolarHBondContact O-N 2.98Å; A306-R309 PolarHBondContact O-N 3.09Å; R309-A311 VanDerWaalsContact C-N 3.27Å; R309-A311 PolarHBondContact O-N 2.83Å; R309-S312 PolarHBondContact O-N 3.41Å; R309-A313 WeakPolarHBondContact O-CB 3.21Å; R309-A313 PolarHBondContact O-N 3.48Å |
| 310 | Q | 93.1 | Very high | 89.6 | Confident | 132 Ų | 132 | 60 Ų | 60 | 62% | 0.617 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61.1 | -37.1 | 173.3 | -75.7 | 172 | -13.9 | 0 | 0 | 111.9 | A306 Q307 T308 L314 | A306-Q310 WeakPolarHBondContact O-CG 3.34Å; A306-Q310 PolarHBondContact O-N 3.4Å; Q307-Q310 PolarHBondContact O-N 3.11Å; T308-Q310 PolarHBondContact O-N 3.39Å; Q310-L314 WeakPolarHBondContact O-CG 3.37Å |
| 311 | A | 92.4 | Very high | 89.4 | Confident | 30 Ų | 30 | 67.5 Ų | 67.5 | 25% | 0.248 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -75.3 | -38.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q307 T308 R309 A313 L314 | Q307-A311 PolarHBondContact O-N 3.46Å; T308-A311 CarbonylContact O-C 3.56Å; T308-A311 WeakPolarHBondContact O-CB 3.26Å; T308-A311 PolarHBondContact O-N 3.01Å; T308-A311 VanDerWaalsContact O-N 3.11Å; R309-A311 VanDerWaalsContact C-N 3.27Å; R309-A311 PolarHBondContact O-N 2.83Å; A311-A313 VanDerWaalsContact C-N 3.3Å; A311-A313 PolarHBondContact O-N 3.03Å; A311-L314 PolarHBondContact O-N 3.44Å |
| 312 | S | 93.1 | Very high | 89.7 | Confident | 5 Ų | 5 | 65.9 Ų | 65.9 | 4% | 0.035 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -63.7 | -36.2 | 176.7 | -52.8 | 0 | 0 | 0 | 0 | 111.9 | E38 T88 T308 R309 L314 I315 | E38-S312 PolarHBondContact OE1-OG 3.49Å; T88-S312 VanDerWaalsContact OG1-CB 3.24Å; T88-S312 WeakPolarHBondContact OG1-CB 3.44Å; T308-S312 PolarHBondContact O-N 3.17Å; T308-S312 PolarHBondContact O-OG 3.46Å; R309-S312 PolarHBondContact O-N 3.41Å; S312-L314 PolarHBondContact O-N 2.86Å; S312-L314 VanDerWaalsContact O-N 3.17Å; S312-I315 VanDerWaalsContact O-CB 3.32Å; S312-I315 WeakPolarHBondContact O-CB 3.4Å; S312-I315 WeakPolarHBondContact O-CG1 3.1Å; S312-I315 PolarHBondContact O-N 2.92Å; S312-I315 VanDerWaalsContact O-N 3.1Å |
| 313 | A | 91.6 | Very high | 89.4 | Confident | 84 Ų | 84 | 69.2 Ų | 69.2 | 69% | 0.694 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -5.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R309 A311 | R309-A313 WeakPolarHBondContact O-CB 3.21Å; R309-A313 PolarHBondContact O-N 3.48Å; A311-A313 VanDerWaalsContact C-N 3.3Å; A311-A313 PolarHBondContact O-N 3.03Å |
| 314 | L | 92.4 | Very high | 89.1 | Confident | 146 Ų | 146 | 66.9 Ų | 66.9 | 76% | 0.764 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -107.7 | 10.5 | 173.3 | -62.1 | 172.3 | 0 | 0 | 0 | 112.3 | Q310 A311 S312 D316 | Q310-L314 WeakPolarHBondContact O-CG 3.37Å; A311-L314 PolarHBondContact O-N 3.44Å; S312-L314 PolarHBondContact O-N 2.86Å; S312-L314 VanDerWaalsContact O-N 3.17Å; L314-D316 PolarHBondContact O-N 3.46Å; L314-D316 VanDerWaalsContact O-N 3.09Å |
| 315 | I | 90.8 | Very high | 87.9 | Confident | 43 Ų | 43 | 68.7 Ų | 68.7 | 22% | 0.221 | 38% | 0.376 | C | S | . | . | trans | -75.4 | 95.1 | 174.2 | -65.2 | 172.7 | 0 | 0 | 0 | 109 | L37 E38 E89 S312 R317 | L37-I315 HydrophobicContact CB-CD1 3.82Å; L37-I315 HydrophobicContact CB-CG1 4.5Å; L37-I315 HydrophobicContact CD1-CD1 4.02Å; L37-I315 HydrophobicContact CD1-CG1 3.99Å; L37-I315 HydrophobicContact CD1-CG2 3.81Å; E38-I315 HydrophobicContact CG-CD1 4.41Å; E89-I315 HydrophobicContact CG-CD1 4.1Å; S312-I315 VanDerWaalsContact O-CB 3.32Å; S312-I315 WeakPolarHBondContact O-CB 3.4Å; S312-I315 WeakPolarHBondContact O-CG1 3.1Å; S312-I315 PolarHBondContact O-N 2.92Å; S312-I315 VanDerWaalsContact O-N 3.1Å; I315-R317 HydrophobicContact CG2-CG 3.69Å | ||
| 316 | D | 88.9 | Confident | 86.3 | Confident | 168 Ų | 168 | 68.5 Ų | 68.5 | 90% | 0.898 | 38% | 0.378 | S | S | * | . | trans | -96 | 85.5 | 169.5 | -172.8 | 14.2 | 0 | 0 | 0 | 109.9 | L314 | L314-D316 PolarHBondContact O-N 3.46Å; L314-D316 VanDerWaalsContact O-N 3.09Å | ||
| 317 | R | 91.2 | Very high | 84.6 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 26% | 0.257 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -151.7 | 154.4 | 172 | 73.3 | 175.1 | -176.4 | 158.7 | -6.4 | 111.1 | N35 E89 I315 | N35-R317 PolarHBondContact O-NH2 3.1Å; N35-R317 PolarHBondContact OD1-NH1 3.03Å; E89-R317 IonicContact OE1-CZ 2.58Å; E89-R317 IonicContact OE1-NE 2.73Å; E89-R317 PolarHBondContact OE1-NE 3.01Å; E89-R317 IonicContact OE1-NH2 3.21Å; E89-R317 PolarHBondContact OE1-NH2 3.1Å; E89-R317 IonicContact OE2-CZ 2.81Å; E89-R317 IonicContact OE2-NH2 2.6Å; E89-R317 PolarHBondContact OE2-NH2 3.47Å; I315-R317 HydrophobicContact CG2-CG 3.69Å |
| 318 | P | 85.1 | Confident | 82.6 | Confident | 116 Ų | 116 | 70.9 Ų | 70.9 | 75% | 0.753 | 39% | 0.387 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 146.5 | 166.1 | 27.7 | -35.7 | 0 | 0 | 0 | 110.6 | ||
| 319 | A | 81.3 | Confident | 80.6 | Confident | 78 Ų | 78 | 77.6 Ų | 77.6 | 65% | 0.645 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -52.3 | 128.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | H321 | A319-H321 PolarHBondContact O-N 3.18Š|
| 320 | P | 82.3 | Confident | 78.2 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 10% | 0.104 | 42% | 0.418 | C | S | . | . | P | Polyproline II helix | trans | -66 | 122.8 | -174.8 | 26.4 | -35 | 0 | 0 | 0 | 110.5 | N35 I91 F322 | N35-P320 WeakPolarHBondContact ND2-CB 3.27Å; I91-P320 HydrophobicContact CB-CG 3.93Å; I91-P320 HydrophobicContact CD1-CB 4.5Å; I91-P320 HydrophobicContact CD1-CG 4.45Å; I91-P320 HydrophobicContact CG2-CG 3.7Å; P320-F322 VanDerWaalsContact O-CD1 3.27Å; P320-F322 WeakPolarHBondContact O-CD1 3.44Å |
| 321 | H | 78.1 | Confident | 75.9 | Confident | 181 Ų | 181 | 73.6 Ų | 73.6 | 84% | 0.838 | 41% | 0.413 | S | S | * | . | P | Polyproline II helix | trans | -75.8 | 128.6 | 168.4 | -172.6 | 71.4 | 0 | 0 | 0 | 109.6 | A319 | A319-H321 PolarHBondContact O-N 3.18Š|
| 322 | F | 83.8 | Confident | 73.7 | Confident | 42 Ų | 42 | 82.4 Ų | 82.4 | 18% | 0.184 | 44% | 0.44 | C | S | . | . | trans | -140.3 | 145 | 178.5 | 59.4 | -92.6 | 0 | 0 | 0 | 110.6 | I91 Y94 P320 R324 | I91-F322 HydrophobicContact CB-CD1 3.79Å; I91-F322 HydrophobicContact CB-CE1 3.67Å; I91-F322 HydrophobicContact CB-CZ 4.47Å; I91-F322 HydrophobicContact CD1-CB 4.07Å; I91-F322 HydrophobicContact CD1-CD1 3.77Å; I91-F322 HydrophobicContact CD1-CG 4.06Å; I91-F322 HydrophobicContact CG1-CD1 3.67Å; I91-F322 HydrophobicContact CG1-CE1 3.93Å; I91-F322 HydrophobicContact CG1-CG 4.1Å; Y94-F322 AromaticContact CD1-CD2 3.79Å; Y94-F322 HydrophobicContact CD1-CD2 3.79Å; Y94-F322 AromaticContact CD1-CE2 3.34Å; Y94-F322 HydrophobicContact CD1-CE2 3.34Å; Y94-F322 HydrophobicContact CD1-CZ 4.07Å; Y94-F322 AromaticContact CD2-CE2 3.92Å; Y94-F322 HydrophobicContact CD2-CE2 3.92Å; Y94-F322 AromaticContact CE1-CD2 3.99Å; Y94-F322 HydrophobicContact CE1-CD2 3.99Å; Y94-F322 AromaticContact CE1-CE2 3.86Å; Y94-F322 HydrophobicContact CE1-CE2 3.86Å; Y94-F322 HydrophobicContact CE2-CE2 4.39Å; Y94-F322 HydrophobicContact CG-CD2 4.28Å; Y94-F322 AromaticContact CG-CE2 3.37Å; Y94-F322 HydrophobicContact CG-CE2 3.37Å; Y94-F322 AromaticContact CG-CZ 3.83Å; Y94-F322 HydrophobicContact CG-CZ 3.83Å; P320-F322 VanDerWaalsContact O-CD1 3.27Å; P320-F322 WeakPolarHBondContact O-CD1 3.44Å; F322-R324 HydrophobicContact CD2-CG 4.4Å; F322-R324 HydrophobicContact CE2-CG 4.14Å | ||
| 323 | E | 80.3 | Confident | 71.2 | Confident | 92 Ų | 92 | 86.5 Ų | 86.5 | 43% | 0.43 | 47% | 0.468 | S | S | . | . | trans | -88.6 | 128.8 | 178 | -168.5 | -167.1 | -178 | 0 | 0 | 111.1 | S327 K328 | E323-S327 VanDerWaalsContact OE1-CB 3.28Å; E323-S327 WeakPolarHBondContact OE1-CB 3.11Å; E323-S327 PolarHBondContact OE1-OG 3.37Å; E323-K328 VanDerWaalsContact CD-CE 3.46Å; E323-K328 VanDerWaalsContact CD-CG 3.45Å; E323-K328 HydrophobicContact CG-CG 4.34Å; E323-K328 VanDerWaalsContact OE1-CG 3.31Å; E323-K328 WeakPolarHBondContact OE1-CG 3.42Å; E323-K328 WeakPolarHBondContact OE2-CE 3.3Å; E323-K328 WeakPolarHBondContact OE2-CG 3.41Å | ||
| 324 | R | 83.8 | Confident | 68.9 | Low | 32 Ų | 32 | 89.5 Ų | 89.5 | 12% | 0.121 | 47% | 0.472 | C | S | . | . | trans | -79.7 | 156.2 | -179.1 | -60.3 | -177.4 | 172.3 | -115.3 | -14.7 | 112.7 | Y94 S126 E127 P170 D174 F322 A326 S327 | Y94-R324 HydrophobicContact CE2-CB 4.28Å; Y94-R324 HydrophobicContact CE2-CG 3.9Å; Y94-R324 WeakPolarHBondContact OH-CA 3.45Å; S126-R324 VanDerWaalsContact CB-NH1 3.33Å; S126-R324 WeakPolarHBondContact O-CD 3.39Å; S126-R324 PolarHBondContact O-NE 2.89Å; S126-R324 PolarHBondContact O-NH1 3.4Å; S126-R324 PolarHBondContact OG-NH1 2.9Å; E127-R324 WeakPolarHBondContact OE2-CB 3.26Å; P170-R324 VanDerWaalsContact CB-CZ 3.49Å; D174-R324 VanDerWaalsContact CG-NH1 3.28Å; D174-R324 IonicContact OD1-CZ 2.69Å; D174-R324 IonicContact OD1-NH1 2.74Å; D174-R324 PolarHBondContact OD1-NH1 3.28Å; D174-R324 IonicContact OD2-CZ 3.08Å; D174-R324 VanDerWaalsContact OD2-CZ 3.23Å; D174-R324 IonicContact OD2-NH1 3.14Å; D174-R324 PolarHBondContact OD2-NH1 3.39Å; D174-R324 IonicContact OD2-NH2 2.75Å; D174-R324 PolarHBondContact OD2-NH2 3.12Å; F322-R324 HydrophobicContact CD2-CG 4.4Å; F322-R324 HydrophobicContact CE2-CG 4.14Å; R324-A326 VanDerWaalsContact C-N 3.34Å; R324-A326 PolarHBondContact O-N 3.34Å; R324-S327 WeakPolarHBondContact O-CB 3.43Å; R324-S327 PolarHBondContact O-N 3.29Å | ||
| 325 | T | 70.4 | Confident | 66.4 | Low | 38 Ų | 38 | 90.1 Ų | 90.1 | 23% | 0.233 | 48% | 0.476 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -38.3 | -171.7 | -39.4 | 0 | 0 | 0 | 0 | 113.4 | D9 Y94 K328 | D9-T325 HydrophobicContact CB-CG2 4.2Å; D9-T325 WeakPolarHBondContact CB-OG1 3.04Å; D9-T325 WeakPolarHBondContact O-CG2 3.1Å; Y94-T325 PolarHBondContact OH-N 2.89Å; Y94-T325 VanDerWaalsContact OH-N 3.15Å; Y94-T325 PolarHBondContact OH-OG1 3.22Å; T325-K328 PolarHBondContact O-N 3Å |
| 326 | A | 60.2 | Low | 63.9 | Low | 12 Ų | 12 | 91.6 Ų | 91.6 | 10% | 0.099 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -34.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E127 F144 R324 K328 R329 A330 | E127-A326 HydrophobicContact CB-CB 3.69Å; E127-A326 HydrophobicContact CG-CB 4.2Å; E127-A326 WeakPolarHBondContact OE2-CB 3.17Å; E127-A326 PolarHBondContact OE2-N 2.77Å; F144-A326 HydrophobicContact CE1-CB 3.92Å; F144-A326 HydrophobicContact CZ-CB 4Å; R324-A326 VanDerWaalsContact C-N 3.34Å; R324-A326 PolarHBondContact O-N 3.34Å; A326-K328 PolarHBondContact O-N 2.82Å; A326-R329 CarbonylContact O-C 3.59Å; A326-R329 WeakPolarHBondContact O-CA 3.48Å; A326-R329 PolarHBondContact O-N 3.36Å; A326-A330 PolarHBondContact O-N 2.69Å |
| 327 | S | 56.3 | Low | 61.4 | Low | 53 Ų | 53 | 88.2 Ų | 88.2 | 37% | 0.371 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -51.6 | -44.5 | 174.7 | 175.9 | 0 | 0 | 0 | 0 | 111.6 | E323 R324 R329 S331 | E323-S327 VanDerWaalsContact OE1-CB 3.28Å; E323-S327 WeakPolarHBondContact OE1-CB 3.11Å; E323-S327 PolarHBondContact OE1-OG 3.37Å; R324-S327 WeakPolarHBondContact O-CB 3.43Å; R324-S327 PolarHBondContact O-N 3.29Å; S327-R329 VanDerWaalsContact C-N 3.27Å; S327-R329 PolarHBondContact O-N 3.11Å; S327-S331 WeakPolarHBondContact O-CB 3.27Å; S327-S331 PolarHBondContact O-N 2.67Å; S327-S331 VanDerWaalsContact O-N 3.14Å; S327-S331 PolarHBondContact O-OG 3.17Å |
| 328 | K | 51.5 | Low | 58.7 | Low | 80 Ų | 80 | 89.8 Ų | 89.8 | 35% | 0.348 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -71.6 | -14.3 | 178.6 | -59.8 | 172.3 | -174.5 | 159.2 | 0 | 114.2 | E323 T325 A326 R332 | E323-K328 VanDerWaalsContact CD-CE 3.46Å; E323-K328 VanDerWaalsContact CD-CG 3.45Å; E323-K328 HydrophobicContact CG-CG 4.34Å; E323-K328 VanDerWaalsContact OE1-CG 3.31Å; E323-K328 WeakPolarHBondContact OE1-CG 3.42Å; E323-K328 WeakPolarHBondContact OE2-CE 3.3Å; E323-K328 WeakPolarHBondContact OE2-CG 3.41Å; T325-K328 PolarHBondContact O-N 3Å; A326-K328 PolarHBondContact O-N 2.82Å; K328-R332 WeakPolarHBondContact O-CD 3.32Å |
| 329 | R | 52.7 | Low | 56.1 | Low | 141 Ų | 141 | 89.3 Ų | 89.3 | 53% | 0.532 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -94.2 | -48.4 | 171.7 | -176.8 | -173.4 | -82.1 | -167.6 | 8.7 | 111.2 | D143 A326 S327 S331 R332 S333 | D143-R329 PolarHBondContact O-NH1 2.67Å; D143-R329 IonicContact OD1-CZ 3.94Å; D143-R329 IonicContact OD1-NH1 3.14Å; D143-R329 PolarHBondContact OD1-NH1 2.82Å; A326-R329 CarbonylContact O-C 3.59Å; A326-R329 WeakPolarHBondContact O-CA 3.48Å; A326-R329 PolarHBondContact O-N 3.36Å; S327-R329 VanDerWaalsContact C-N 3.27Å; S327-R329 PolarHBondContact O-N 3.11Å; R329-S331 VanDerWaalsContact C-N 3.32Å; R329-S331 PolarHBondContact O-N 3.49Å; R329-R332 WeakPolarHBondContact O-CB 3.34Å; R329-R332 PolarHBondContact O-N 3.38Å; R329-S333 PolarHBondContact O-N 2.64Å |
| 330 | A | 43.7 | Very low | 53.8 | Low | 48 Ų | 48 | 90.3 Ų | 90.3 | 40% | 0.397 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -57.6 | -44.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A326 R332 S333 | A326-A330 PolarHBondContact O-N 2.69Å; A330-R332 PolarHBondContact O-N 2.67Å; A330-R332 VanDerWaalsContact O-N 3.08Å; A330-S333 WeakPolarHBondContact O-CB 3.25Å; A330-S333 PolarHBondContact O-N 2.94Å |
| 331 | S | 44.1 | Very low | 51.5 | Low | 72 Ų | 72 | 98.5 Ų | 98.5 | 50% | 0.503 | 58% | 0.576 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -58.9 | -17.1 | 174.1 | 51 | 0 | 0 | 0 | 0 | 115 | S327 R329 | S327-S331 WeakPolarHBondContact O-CB 3.27Å; S327-S331 PolarHBondContact O-N 2.67Å; S327-S331 VanDerWaalsContact O-N 3.14Å; S327-S331 PolarHBondContact O-OG 3.17Å; R329-S331 VanDerWaalsContact C-N 3.32Å; R329-S331 PolarHBondContact O-N 3.49Å |
| 332 | R | 47 | Very low | 49.2 | Very low | 216 Ų | 216 | 95.6 Ų | 95.6 | 82% | 0.815 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -7.7 | 175.9 | -65.5 | -179 | 172.9 | -163.7 | -3 | 114.1 | K328 R329 A330 | K328-R332 WeakPolarHBondContact O-CD 3.32Å; R329-R332 WeakPolarHBondContact O-CB 3.34Å; R329-R332 PolarHBondContact O-N 3.38Å; A330-R332 PolarHBondContact O-N 2.67Å; A330-R332 VanDerWaalsContact O-N 3.08Å |
| 333 | S | 39.4 | Very low | 47 | Very low | 90 Ų | 90 | 99.9 Ų | 99.9 | 63% | 0.629 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.6 | -27.6 | -178.1 | -152.1 | 0 | 0 | 0 | 0 | 112.6 | R329 A330 | R329-S333 PolarHBondContact O-N 2.64Å; A330-S333 WeakPolarHBondContact O-CB 3.25Å; A330-S333 PolarHBondContact O-N 2.94Å |
| 334 | L | 43.6 | Very low | 44.5 | Very low | 147 Ų | 147 | 103.3 Ų | 103.3 | 77% | 0.77 | 63% | 0.627 | S | S | * | * | G | 310 helix | trans | -77 | -26.9 | -168.8 | -81.9 | 158.8 | 0 | 0 | 0 | 115.6 | G336 | L334-G336 PolarHBondContact O-N 3.12Š|
| 335 | D | 40.8 | Very low | 41.9 | Very low | 159 Ų | 159 | 112.7 Ų | 112.7 | 85% | 0.85 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -77.6 | 1.6 | -180 | -84.3 | -21.9 | 0 | 0 | 0 | 114.1 | A337 | D335-A337 PolarHBondContact O-N 2.75Š|
| 336 | G | 37.8 | Very low | 40 | Very low | 74 Ų | 74 | 116.5 Ų | 116.5 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -77.2 | -6.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | L334 | L334-G336 PolarHBondContact O-N 3.12Š|
| 337 | A | 36 | Very low | 39.4 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 80% | 0.802 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -133.9 | 32.6 | -156 | 0 | 0 | 0 | 0 | 0 | 116.9 | D335 | D335-A337 PolarHBondContact O-N 2.75Š|
| 338 | A | 33.9 | Very low | 38.2 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 74% | 0.742 | S | S | * | * | trans | -145.7 | 65.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 339 | A | 30.7 | Very low | 37.8 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 88% | 0.876 | 76% | 0.761 | S | S | * | * | trans | -143.3 | 48.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 340 | A | 32.7 | Very low | 36.9 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -84.2 | 141.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 341 | E | 34.1 | Very low | 36.3 | Very low | 188 Ų | 188 | 131.8 Ų | 131.8 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -66.4 | 141.9 | -175.2 | -62.5 | 175.1 | 109.7 | 0 | 0 | 112.8 | ||||
| 342 | S | 29.6 | Very low | 35.7 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -132.3 | 118.9 | 159.6 | 51.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 343 | T | 37.8 | Very low | 35.7 | Very low | 131 Ų | 131 | 128.5 Ų | 128.5 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -105.8 | 115.9 | -177.1 | 54.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 344 | D | 27.6 | Very low | 35.2 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | trans | -148.4 | 166.2 | 155.4 | -154.6 | 1.2 | 0 | 0 | 0 | 112.1 | ||||
| 345 | R | 30.9 | Very low | 34.6 | Very low | 229 Ų | 229 | 129.4 Ų | 129.4 | 86% | 0.864 | 81% | 0.806 | S | S | * | * | trans | -122.5 | 119.5 | -160 | -80.8 | 175.4 | 157.4 | 177.4 | -4.6 | 114.8 | ||||
| 346 | S | 29.7 | Very low | 34.1 | Very low | 118 Ų | 118 | 125.5 Ų | 125.5 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | 66.4 | 174.5 | 139.9 | -94.2 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 347 | P | 48.1 | Very low | 33.7 | Very low | 123 Ų | 123 | 130.7 Ų | 130.7 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | cis | -119.8 | 177.3 | 4.5 | 40.8 | -27.5 | 0 | 0 | 0 | 116.7 | ||||
| 348 | R | 30.9 | Very low | 33.5 | Very low | 197 Ų | 197 | 131.8 Ų | 131.8 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -92.3 | 168 | -178.2 | -147.5 | -165.1 | -175 | 165.4 | 0.7 | 112.1 | ||||
| 349 | P | 43.8 | Very low | 33.3 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | -131.6 | 132.2 | 105.5 | 7.6 | 14.2 | 0 | 0 | 0 | 112.6 | |||||
| 350 | T | 33.2 | Very low | 33.1 | Very low | 114 Ų | 114 | 137.4 Ų | 137.4 | 70% | 0.699 | 80% | 0.802 | S | S | * | * | 82.1 | 121.1 | 87 | -56.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 351 | S | 31.2 | Very low | 33 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | -145.9 | 168.8 | 53.9 | 51.5 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 352 | A | 30.1 | Very low | 32.7 | Very low | 88 Ų | 88 | 139.4 Ų | 139.4 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -155.5 | 157.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 353 | P | 48.4 | Very low | 32.5 | Very low | 130 Ų | 130 | 137 Ų | 137 | 84% | 0.844 | 80% | 0.797 | S | S | * | * | -152.3 | -171.5 | 100.7 | 36.6 | -17.1 | 0 | 0 | 0 | 113.9 | |||||
| 354 | A | 28.4 | Very low | 32.8 | Very low | 83 Ų | 83 | 137.3 Ų | 137.3 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | cis | -175.3 | 175.4 | -47 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 355 | I | 31 | Very low | 32.7 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | trans | 76.7 | 148.5 | 163 | -49.6 | 173.6 | 0 | 0 | 0 | 116.7 | ||||
| 356 | A | 30.3 | Very low | 32.7 | Very low | 77 Ų | 77 | 127.1 Ų | 127.1 | 64% | 0.636 | 80% | 0.797 | S | S | * | * | cis | -172.9 | 156 | -42.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 357 | Q | 29.6 | Very low | 33.1 | Very low | 184 Ų | 184 | 127.4 Ų | 127.4 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | 13.6 | 143.4 | 153.6 | -67.6 | 162.5 | -29.3 | 0 | 0 | 121.7 | ||||
| 358 | S | 31.4 | Very low | 32.1 | Very low | 119 Ų | 119 | 128.6 Ų | 128.6 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | -171.1 | 175.7 | 90.7 | -69.4 | 0 | 0 | 0 | 0 | 115 | |||||
| 359 | Q | 29.2 | Very low | 31.9 | Very low | 179 Ų | 179 | 127.8 Ų | 127.8 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -91.1 | 164.2 | -169 | -49.4 | 142.4 | -87.3 | 0 | 0 | 115.8 | ||||
| 360 | V | 27.8 | Very low | 31.1 | Very low | 148 Ų | 148 | 132.1 Ų | 132.1 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | trans | -150.4 | 149.3 | 135.9 | 178.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 361 | T | 30 | Very low | 30.7 | Very low | 124 Ų | 124 | 133 Ų | 133 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | trans | -148.1 | 137.6 | 174 | 50.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 362 | E | 27.3 | Very low | 30.9 | Very low | 204 Ų | 204 | 134 Ų | 134 | 95% | 0.953 | 81% | 0.812 | S | S | * | * | trans | -163.7 | 164.4 | 154.1 | -119.9 | 176.4 | 166.2 | 0 | 0 | 112.9 | ||||
| 363 | G | 26.5 | Very low | 30.6 | Very low | 69 Ų | 69 | 138 Ų | 138 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -113.3 | -138 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 364 | P | 42.6 | Very low | 29.5 | Very low | 139 Ų | 139 | 139.4 Ų | 139.4 | 90% | 0.903 | 81% | 0.808 | S | S | * | * | cis | -140.7 | -171.8 | -6.7 | 43.5 | -26.1 | 0 | 0 | 0 | 114.8 | ||||
| 365 | G | 26.6 | Very low | 29.4 | Very low | 80 Ų | 80 | 139.3 Ų | 139.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | trans | 127.8 | 145.1 | 147.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 366 | A | 30.6 | Very low | 29.1 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -144.1 | 160.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 367 | P | 38.5 | Very low | 28.8 | Very low | 124 Ų | 124 | 142.7 Ų | 142.7 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | -157.1 | 133.8 | 122.7 | 35.9 | -15.8 | 0 | 0 | 0 | 119.3 | |||||
| 368 | I | 27.1 | Very low | 28.5 | Very low | 148 Ų | 148 | 139.2 Ų | 139.2 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | 28.9 | 118.4 | 123.2 | -62 | 178.9 | 0 | 0 | 0 | 122.2 | |||||
| 369 | K | 26.9 | Very low | 28.2 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 79% | 0.787 | 80% | 0.8 | S | S | * | * | trans | 43.7 | 133.8 | 139.3 | -51.7 | 172.2 | -173 | 178.9 | 0 | 123.1 | ||||
| 370 | K | 25.9 | Very low | 28 | Very low | 206 Ų | 206 | 139.4 Ų | 139.4 | 90% | 0.896 | 79% | 0.791 | S | S | * | * | 165.9 | 164.4 | 109.2 | -90.5 | -179.2 | -176.2 | -178.9 | 0 | 115.2 | |||||
| 371 | T | 26 | Very low | 27.9 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | -97.5 | 159.8 | 175.7 | 49.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 372 | P | 34.6 | Very low | 27.6 | Very low | 124 Ų | 124 | 143.2 Ų | 143.2 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | -142.1 | 177.9 | 95.3 | 26.2 | -4.3 | 0 | 0 | 0 | 113.4 | |||||
| 373 | K | 24.3 | Very low | 27.3 | Very low | 174 Ų | 174 | 136.6 Ų | 136.6 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | cis | 118.3 | 114.1 | 3.9 | -148.2 | -176.7 | -168.2 | -86.2 | 0 | 114.2 | ||||
| 374 | E | 25.7 | Very low | 27.2 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | 81.5 | 150.7 | 146.4 | -116.9 | 165.3 | 129.1 | 0 | 0 | 125.9 | ||||
| 375 | A | 24.7 | Very low | 26.4 | Very low | 82 Ų | 82 | 144 Ų | 144 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | 102.1 | 88.2 | 137.1 | 0 | 0 | 0 | 0 | 0 | 124 | ||||
| 376 | V | 24.6 | Very low | 27 | Very low | 134 Ų | 134 | 145.1 Ų | 145.1 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | 75.9 | 145.2 | 106.8 | 162.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 377 | K | 23.9 | Very low | 26.7 | Very low | 186 Ų | 186 | 145.2 Ų | 145.2 | 81% | 0.809 | 76% | 0.764 | S | S | * | * | trans | 77.7 | 151.6 | 166.6 | -84.7 | -162 | 171.9 | -170.5 | 0 | 118.6 | ||||
| 378 | V | 24.2 | Very low | 26.2 | Very low | 112 Ų | 112 | 147.9 Ų | 147.9 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | cis | 172.5 | 152.3 | -30.3 | 127.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 379 | E | 24.8 | Very low | 26.6 | Very low | 162 Ų | 162 | 146.3 Ų | 146.3 | 76% | 0.757 | 77% | 0.765 | S | S | * | * | 151.1 | 130 | 126 | -151.6 | 139 | -112.2 | 0 | 0 | 115.6 | |||||
| 380 | E | 24.7 | Very low | 26.5 | Very low | 139 Ų | 139 | 141.9 Ų | 141.9 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | trans | 50.7 | 155.9 | 152.4 | -74.1 | -163.4 | 144.8 | 0 | 0 | 122.7 | ||||
| 381 | K | 25.8 | Very low | 26.7 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 65% | 0.648 | 76% | 0.76 | S | S | * | * | cis | -155.6 | 169.5 | 2.8 | -133.9 | 165.4 | -173.6 | 133.8 | 0 | 111.5 | ||||
| 382 | R | 23.7 | Very low | 27 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 13.7 | 136.8 | 153 | -76.9 | 168.7 | 151.3 | -99.7 | 2.9 | 119.4 | ||||
| 383 | G | 22.1 | Very low | 26.7 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 76% | 0.76 | S | S | * | * | cis | 103 | 111 | 0.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 384 | E | 24.8 | Very low | 27.4 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | -163.3 | 153.8 | 158.7 | -123.5 | 162.9 | 172.4 | 0 | 0 | 111.9 | ||||
| 385 | E | 25.5 | Very low | 27.4 | Very low | 175 Ų | 175 | 137.1 Ų | 137.1 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -124.4 | -173.6 | 176.3 | -127.1 | -154.9 | 118.6 | 0 | 0 | 107 | ||||
| 386 | P | 38.2 | Very low | 27.9 | Very low | 105 Ų | 105 | 140.2 Ų | 140.2 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -130.8 | -175.7 | -11.6 | 41.8 | -26.2 | 0 | 0 | 0 | 113.4 | ||||
| 387 | A | 24.6 | Very low | 28.2 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | -176.1 | 114.8 | 138.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 388 | E | 27.6 | Very low | 28.4 | Very low | 180 Ų | 180 | 140.7 Ų | 140.7 | 84% | 0.841 | 75% | 0.752 | S | S | * | * | trans | -112.6 | 161.5 | 153.1 | -139.7 | -158.4 | -139.2 | 0 | 0 | 107.1 | ||||
| 389 | P | 35.7 | Very low | 28.7 | Very low | 115 Ų | 115 | 143.2 Ų | 143.2 | 75% | 0.747 | 75% | 0.754 | S | S | * | * | -154.9 | 178.2 | 72.8 | 41.8 | -21.7 | 0 | 0 | 0 | 117.7 | |||||
| 390 | A | 26.1 | Very low | 29.1 | Very low | 87 Ų | 87 | 145 Ų | 145 | 72% | 0.719 | 76% | 0.759 | S | S | * | * | trans | 99.7 | 117.9 | 139.7 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 391 | E | 29.9 | Very low | 29.2 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 86% | 0.86 | 76% | 0.763 | S | S | * | * | trans | -69.8 | 167.2 | 154.9 | -50.9 | -179.7 | 122.3 | 0 | 0 | 111.2 | ||||
| 392 | P | 31.5 | Very low | 29.5 | Very low | 126 Ų | 126 | 152.1 Ų | 152.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | -148.8 | 152.9 | 91.2 | 39.5 | -23.2 | 0 | 0 | 0 | 116.7 | |||||
| 393 | E | 28.7 | Very low | 29.8 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 81% | 0.808 | 78% | 0.775 | S | S | * | * | trans | -80.1 | 175.2 | 154.8 | -109.7 | -147.3 | -156.5 | 0 | 0 | 110.8 | ||||
| 394 | P | 39.1 | Very low | 30.1 | Very low | 94 Ų | 94 | 156.6 Ų | 156.6 | 61% | 0.61 | 78% | 0.783 | S | S | * | * | cis | -139.8 | -170.1 | 15.3 | 26.5 | 0.3 | 0 | 0 | 0 | 116.3 | ||||
| 395 | T | 25.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 156.6 Ų | 156.6 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | trans | 116.2 | 122.5 | 142.3 | 69.1 | 0 | 0 | 0 | 0 | 122 | A397 | T395-A397 PolarHBondContact O-N 3.03Š| ||
| 396 | E | 35.9 | Very low | 30.4 | Very low | 148 Ų | 148 | 154.6 Ų | 154.6 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | 26.5 | 81.6 | 143.7 | -67.5 | -68 | 156 | 0 | 0 | 120.4 | K399 | E396-K399 IonicContact OE1-NZ 2.68Å; E396-K399 PolarHBondContact OE1-NZ 3Å; E396-K399 IonicContact OE2-NZ 3.15Å; E396-K399 PolarHBondContact OE2-NZ 2.82Å | ||
| 397 | A | 30.7 | Very low | 30 | Very low | 77 Ų | 77 | 152 Ų | 152 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | -135.6 | -15.1 | 167 | 0 | 0 | 0 | 0 | 0 | 117.3 | T395 | T395-A397 PolarHBondContact O-N 3.03Š| ||
| 398 | W | 26.9 | Very low | 30.3 | Very low | 253 Ų | 253 | 154.3 Ų | 154.3 | 96% | 0.958 | 77% | 0.769 | S | S | * | * | trans | -119.5 | 36.4 | -166.8 | -72.4 | -48.7 | 0 | 0 | 0 | 117.8 | K400 | W398-K400 PolarHBondContact O-N 2.91Š| ||
| 399 | K | 31.6 | Very low | 30.6 | Very low | 164 Ų | 164 | 149 Ų | 149 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -91.5 | 40.6 | 167 | -69.6 | 175.9 | -171.1 | 137.9 | 0 | 113.8 | E396 | E396-K399 IonicContact OE1-NZ 2.68Å; E396-K399 PolarHBondContact OE1-NZ 3Å; E396-K399 IonicContact OE2-NZ 3.15Å; E396-K399 PolarHBondContact OE2-NZ 2.82Å | ||
| 400 | K | 31.8 | Very low | 30.7 | Very low | 199 Ų | 199 | 145.5 Ų | 145.5 | 87% | 0.865 | 72% | 0.721 | S | S | * | * | trans | -159.5 | 63.7 | 177.8 | -127.1 | 170.5 | -171 | 176.6 | 0 | 117.8 | W398 | W398-K400 PolarHBondContact O-N 2.91Š| ||
| 401 | K | 28.4 | Very low | 31 | Very low | 170 Ų | 170 | 149.2 Ų | 149.2 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | trans | -167.9 | 61.9 | 141.4 | -109.5 | -172.1 | -169.3 | -132 | 0 | 114.7 | E403 | K401-E403 WeakPolarHBondContact CE-OE2 3.4Å; K401-E403 HydrophobicContact CG-CB 4.23Å; K401-E403 IonicContact NZ-OE2 3.99Å; K401-E403 PolarHBondContact NZ-OE2 2.74Å; K401-E403 PolarHBondContact O-N 3.09Å; K401-E403 VanDerWaalsContact O-N 3.11Å | ||
| 402 | R | 31.9 | Very low | 31.7 | Very low | 269 Ų | 269 | 141 Ų | 141 | 100% | 1.015 | 68% | 0.679 | S | S | * | * | trans | -78.4 | 74.1 | 150.5 | -92.9 | -168.7 | 170.7 | -161.6 | -0.5 | 108.5 | ||||
| 403 | E | 28.3 | Very low | 32.2 | Very low | 136 Ų | 136 | 138.7 Ų | 138.7 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | trans | -103.4 | 141.7 | 178.1 | -159.3 | 158.8 | -125 | 0 | 0 | 110.2 | K401 L405 | K401-E403 WeakPolarHBondContact CE-OE2 3.4Å; K401-E403 HydrophobicContact CG-CB 4.23Å; K401-E403 IonicContact NZ-OE2 3.99Å; K401-E403 PolarHBondContact NZ-OE2 2.74Å; K401-E403 PolarHBondContact O-N 3.09Å; K401-E403 VanDerWaalsContact O-N 3.11Å; E403-L405 PolarHBondContact O-N 3.21Å | ||
| 404 | R | 30.2 | Very low | 33 | Very low | 226 Ų | 226 | 131.1 Ų | 131.1 | 85% | 0.853 | 62% | 0.619 | S | S | * | * | trans | -69.3 | 115.8 | -162 | -62.9 | 162.3 | 179.7 | 144.5 | -3.4 | 110.8 | D406 | R404-D406 PolarHBondContact O-N 3.24Š| ||
| 405 | L | 27.4 | Very low | 33 | Very low | 187 Ų | 187 | 127.6 Ų | 127.6 | 98% | 0.979 | 60% | 0.596 | S | S | * | * | trans | -73.6 | 83.3 | 160.5 | -83.1 | 175.5 | 0 | 0 | 0 | 108.7 | E403 | E403-L405 PolarHBondContact O-N 3.21Š| ||
| 406 | D | 27.6 | Very low | 33.7 | Very low | 134 Ų | 134 | 126.2 Ų | 126.2 | 72% | 0.717 | 59% | 0.585 | S | S | * | * | trans | -81.9 | 166.7 | -172.8 | -144.6 | -29.8 | 0 | 0 | 0 | 112.8 | R404 E408 | R404-D406 PolarHBondContact O-N 3.24Å; D406-E408 PolarHBondContact O-N 2.92Å | ||
| 407 | G | 30.5 | Very low | 34.1 | Very low | 50 Ų | 50 | 120 Ų | 120 | 52% | 0.515 | 56% | 0.556 | S | S | . | * | trans | 74.2 | 0.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | N409 | G407-N409 VanDerWaalsContact C-N 3.25Å; G407-N409 PolarHBondContact O-N 2.75Å | ||
| 408 | E | 30.4 | Very low | 34.8 | Very low | 150 Ų | 150 | 116.9 Ų | 116.9 | 70% | 0.701 | 53% | 0.528 | S | S | * | . | trans | -69 | 85.9 | 176.6 | -161.8 | -175.7 | -138.9 | 0 | 0 | 110.9 | K234 D406 | K234-E408 WeakPolarHBondContact CE-O 3.4Å; K234-E408 PolarHBondContact NZ-O 3.24Å; D406-E408 PolarHBondContact O-N 2.92Å | ||
| 409 | N | 33.5 | Very low | 36 | Very low | 69 Ų | 69 | 108.3 Ų | 108.3 | 37% | 0.369 | 50% | 0.501 | S | S | . | . | trans | -108.7 | 121.5 | -177.6 | -175.6 | 13.1 | 0 | 0 | 0 | 107.2 | G407 Y411 | G407-N409 VanDerWaalsContact C-N 3.25Å; G407-N409 PolarHBondContact O-N 2.75Å; N409-Y411 VanDerWaalsContact C-N 3.31Å; N409-Y411 HydrophobicContact CB-CD2 4.19Å; N409-Y411 HydrophobicContact CB-CE2 3.66Å; N409-Y411 VanDerWaalsContact ND2-CZ 3.26Å; N409-Y411 PolarHBondContact ND2-OH 2.68Å; N409-Y411 WeakPolarHBondContact O-CD2 3.48Å; N409-Y411 PolarHBondContact O-N 2.74Å | ||
| 410 | I | 38.6 | Very low | 36.6 | Very low | 40 Ų | 40 | 104.3 Ų | 104.3 | 21% | 0.205 | 49% | 0.485 | C | S | . | . | trans | -79.4 | 85.9 | -173.9 | -48.8 | -177.9 | 0 | 0 | 0 | 108.1 | I412 | I410-I412 HydrophobicContact CG2-CD1 4.12Å; I410-I412 HydrophobicContact CG2-CG1 3.76Å; I410-I412 WeakPolarHBondContact O-CG1 3.42Å; I410-I412 PolarHBondContact O-N 3.29Å | ||
| 411 | Y | 33.7 | Very low | 37.3 | Very low | 166 Ų | 166 | 97.9 Ų | 97.9 | 65% | 0.651 | 46% | 0.46 | S | S | * | . | trans | -69.4 | 90.1 | 176.9 | -69 | -83.9 | 0 | 0 | 0 | 110.7 | N409 | N409-Y411 VanDerWaalsContact C-N 3.31Å; N409-Y411 HydrophobicContact CB-CD2 4.19Å; N409-Y411 HydrophobicContact CB-CE2 3.66Å; N409-Y411 VanDerWaalsContact ND2-CZ 3.26Å; N409-Y411 PolarHBondContact ND2-OH 2.68Å; N409-Y411 WeakPolarHBondContact O-CD2 3.48Å; N409-Y411 PolarHBondContact O-N 2.74Å | ||
| 412 | I | 44.3 | Very low | 38.3 | Very low | 11 Ų | 11 | 94.9 Ų | 94.9 | 6% | 0.056 | 45% | 0.452 | C | S | . | . | trans | -88.3 | 124.8 | 179.6 | -53.9 | 168.6 | 0 | 0 | 0 | 110.3 | Y233 W268 I410 H414 S415 | Y233-I412 HydrophobicContact CD1-CD1 4.03Å; Y233-I412 HydrophobicContact CE1-CD1 3.7Å; W268-I412 HydrophobicContact CD2-CD1 4.12Å; W268-I412 HydrophobicContact CH2-CD1 4.18Å; W268-I412 HydrophobicContact CH2-CG2 4.19Å; W268-I412 HydrophobicContact CZ2-CB 4.38Å; W268-I412 HydrophobicContact CZ2-CD1 3.63Å; W268-I412 HydrophobicContact CZ2-CG1 4.47Å; W268-I412 HydrophobicContact CZ2-CG2 3.58Å; I410-I412 HydrophobicContact CG2-CD1 4.12Å; I410-I412 HydrophobicContact CG2-CG1 3.76Å; I410-I412 WeakPolarHBondContact O-CG1 3.42Å; I410-I412 PolarHBondContact O-N 3.29Å; I412-H414 HydrophobicContact CG2-CB 4.35Å; I412-H414 WeakPolarHBondContact CG2-ND1 3.35Å; I412-H414 PolarHBondContact O-N 2.8Å; I412-S415 PolarHBondContact O-N 3.1Å | ||
| 413 | R | 40.5 | Very low | 38.9 | Very low | 77 Ų | 77 | 89.5 Ų | 89.5 | 29% | 0.291 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -63.7 | -3 | -175.5 | -62.7 | -162.5 | -168.6 | -173.4 | 5.8 | 115.9 | S289 F291 S415 N416 | S289-R413 PolarHBondContact O-NH2 3.06Å; S289-R413 PolarHBondContact OG-NH1 2.8Å; S289-R413 PolarHBondContact OG-NH2 3.44Å; S289-R413 VanDerWaalsContact OG-NH2 3.1Å; F291-R413 PolarHBondContact O-NH2 3.45Å; R413-S415 PolarHBondContact O-N 3.17Å; R413-S415 VanDerWaalsContact O-N 3.14Å; R413-N416 PolarHBondContact O-N 3.28Å; R413-N416 VanDerWaalsContact O-N 3.14Å |
| 414 | H | 46.3 | Very low | 39.8 | Very low | 14 Ų | 14 | 90.1 Ų | 90.1 | 7% | 0.065 | 44% | 0.444 | C | S | . | . | G | 310 helix | trans | -65.5 | -10.6 | 172.8 | -70.3 | 78.1 | 0 | 0 | 0 | 113.1 | V272 F298 I412 N416 L417 | V272-H414 VanDerWaalsContact CG1-CD2 3.49Å; V272-H414 WeakPolarHBondContact CG1-CD2 3.24Å; V272-H414 HydrophobicContact CG2-CB 4.44Å; F298-H414 PolarHBondContact O-CE1 2.91Å; I412-H414 HydrophobicContact CG2-CB 4.35Å; I412-H414 WeakPolarHBondContact CG2-ND1 3.35Å; I412-H414 PolarHBondContact O-N 2.8Å; H414-N416 PolarHBondContact O-N 2.97Å; H414-L417 PolarHBondContact O-N 3.07Å |
| 415 | S | 38.5 | Very low | 41.1 | Very low | 20 Ų | 20 | 81.8 Ų | 81.8 | 14% | 0.14 | 42% | 0.42 | C | S | . | . | G | 310 helix | trans | -57 | -35.6 | 167.6 | -155.2 | 0 | 0 | 0 | 0 | 113.1 | K230 I412 R413 | K230-S415 WeakPolarHBondContact CD-OG 3.39Å; K230-S415 VanDerWaalsContact CE-OG 3.3Å; K230-S415 WeakPolarHBondContact CE-OG 3.37Å; K230-S415 PolarHBondContact NZ-OG 3.1Å; I412-S415 PolarHBondContact O-N 3.1Å; R413-S415 PolarHBondContact O-N 3.17Å; R413-S415 VanDerWaalsContact O-N 3.14Å |
| 416 | N | 40.5 | Very low | 41.9 | Very low | 90 Ų | 90 | 79.4 Ų | 79.4 | 48% | 0.481 | 40% | 0.404 | S | S | . | . | G | 310 helix | trans | -78.2 | -35.5 | -179.8 | -66.2 | 59.2 | 0 | 0 | 0 | 110.9 | I286 R413 H414 M418 L419 E420 | I286-N416 HydrophobicContact CD1-CB 4.3Å; R413-N416 PolarHBondContact O-N 3.28Å; R413-N416 VanDerWaalsContact O-N 3.14Å; H414-N416 PolarHBondContact O-N 2.97Å; N416-M418 PolarHBondContact O-N 2.99Å; N416-L419 CarbonylContact O-C 3.47Å; N416-L419 WeakPolarHBondContact O-CA 3.42Å; N416-L419 WeakPolarHBondContact O-CB 3.35Å; N416-L419 PolarHBondContact O-N 3.36Å; N416-E420 WeakPolarHBondContact O-CG 3.37Å; N416-E420 PolarHBondContact O-N 2.94Å |
| 417 | L | 45.5 | Very low | 43 | Very low | 18 Ų | 18 | 80 Ų | 80 | 9% | 0.094 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -63.3 | -7.9 | 174.7 | -144.7 | 88.9 | 0 | 0 | 0 | 113.7 | T276 L280 I286 H414 E420 | T276-L417 HydrophobicContact CG2-CD2 4.23Å; L280-L417 HydrophobicContact CD1-CD2 3.51Å; L280-L417 HydrophobicContact CD1-CG 3.57Å; L280-L417 WeakPolarHBondContact CD1-O 3.36Å; I286-L417 HydrophobicContact CD1-CD1 4Å; I286-L417 HydrophobicContact CG1-CD1 4.23Å; H414-L417 PolarHBondContact O-N 3.07Å; L417-E420 WeakPolarHBondContact CA-OE1 3.45Å; L417-E420 WeakPolarHBondContact CD1-OE2 3.45Å; L417-E420 PolarHBondContact N-OE1 3.12Å |
| 418 | M | 45.5 | Very low | 44 | Very low | 11 Ų | 11 | 83.2 Ų | 83.2 | 5% | 0.054 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -107.4 | 4.7 | 173.1 | -58.5 | -168.3 | 176.1 | 0 | 0 | 113 | V228 I231 R243 H275 N416 | V228-M418 HydrophobicContact CG1-SD 4.27Å; I231-M418 HydrophobicContact CD1-CE 3.74Å; I231-M418 HydrophobicContact CG1-CE 3.76Å; I231-M418 HydrophobicContact CG1-SD 4.39Å; R243-M418 PolarHBondContact NH2-O 3.45Å; H275-M418 HydrophobicContact CB-CE 3.79Å; N416-M418 PolarHBondContact O-N 2.99Å |
| 419 | L | 50.4 | Low | 45.2 | Very low | 74 Ų | 74 | 80.5 Ų | 80.5 | 39% | 0.387 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.3 | -23.9 | 176.1 | -72.3 | 162.5 | 0 | 0 | 0 | 112.6 | L229 N416 D421 L422 | L229-L419 HydrophobicContact CD2-CD2 4.42Å; N416-L419 CarbonylContact O-C 3.47Å; N416-L419 WeakPolarHBondContact O-CA 3.42Å; N416-L419 WeakPolarHBondContact O-CB 3.35Å; N416-L419 PolarHBondContact O-N 3.36Å; L419-D421 PolarHBondContact O-N 2.95Å; L419-L422 PolarHBondContact O-N 3.03Å |
| 420 | E | 45.8 | Very low | 46.3 | Very low | 79 Ų | 79 | 82.9 Ų | 82.9 | 37% | 0.369 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | -10.2 | -176.4 | -81.3 | 158.3 | -134.5 | 0 | 0 | 115.6 | I286 N416 L417 L422 | I286-E420 WeakPolarHBondContact CD1-OE1 3.33Å; I286-E420 WeakPolarHBondContact CG1-OE1 3.39Å; N416-E420 WeakPolarHBondContact O-CG 3.37Å; N416-E420 PolarHBondContact O-N 2.94Å; L417-E420 WeakPolarHBondContact CA-OE1 3.45Å; L417-E420 WeakPolarHBondContact CD1-OE2 3.45Å; L417-E420 PolarHBondContact N-OE1 3.12Å; E420-L422 VanDerWaalsContact C-N 3.31Å |
| 421 | D | 45.1 | Very low | 47.4 | Very low | 65 Ų | 65 | 88.6 Ų | 88.6 | 35% | 0.348 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.6 | -10.8 | 172 | -114.8 | 54.2 | 0 | 0 | 0 | 114.3 | R279 L419 | R279-D421 IonicContact CZ-OD2 2.61Å; R279-D421 IonicContact NH1-OD1 2.65Å; R279-D421 PolarHBondContact NH1-OD1 3.48Å; R279-D421 IonicContact NH1-OD2 3.82Å; R279-D421 PolarHBondContact NH1-OD2 3.08Å; R279-D421 IonicContact NH2-OD2 2.62Å; R279-D421 PolarHBondContact NH2-OD2 3.48Å; L419-D421 PolarHBondContact O-N 2.95Å |
| 422 | L | 49.8 | Very low | 48.2 | Very low | 107 Ų | 107 | 87 Ų | 87 | 56% | 0.56 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -120.2 | -18 | -165.6 | -74.8 | 169.9 | 0 | 0 | 0 | 116.9 | L419 E420 K424 | L419-L422 PolarHBondContact O-N 3.03Å; E420-L422 VanDerWaalsContact C-N 3.31Å; L422-K424 PolarHBondContact O-N 2.95Å |
| 423 | D | 43.8 | Very low | 48.6 | Very low | 155 Ų | 155 | 92.7 Ų | 92.7 | 83% | 0.829 | 45% | 0.448 | S | S | * | . | trans | -80.7 | 44.6 | 179.9 | -78.2 | -19.4 | 0 | 0 | 0 | 113.3 | S425 | D423-S425 PolarHBondContact O-N 2.98Š| ||
| 424 | K | 47.8 | Very low | 49.3 | Very low | 150 Ų | 150 | 91.7 Ų | 91.7 | 65% | 0.652 | 46% | 0.456 | S | S | * | . | trans | -72.3 | 110.3 | 161.2 | -76.7 | -178 | 179.2 | 176.7 | 0 | 107.9 | L422 I429 | L422-K424 PolarHBondContact O-N 2.95Å; K424-I429 HydrophobicContact CB-CD1 4.44Å; K424-I429 HydrophobicContact CB-CG1 4.41Å | ||
| 425 | S | 57.1 | Low | 49.9 | Very low | 50 Ų | 50 | 93.8 Ų | 93.8 | 35% | 0.35 | 47% | 0.472 | S | S | . | . | trans | -62 | 150.4 | -175 | 85 | 0 | 0 | 0 | 0 | 111.2 | D423 E427 E428 I429 | D423-S425 PolarHBondContact O-N 2.98Å; S425-E427 PolarHBondContact O-N 3.42Å; S425-E427 PolarHBondContact OG-N 3.01Å; S425-E428 PolarHBondContact O-N 3.01Å; S425-E428 PolarHBondContact OG-N 2.75Å; S425-E428 VanDerWaalsContact OG-N 3.17Å; S425-I429 PolarHBondContact O-N 2.73Å; S425-I429 VanDerWaalsContact O-N 3.12Å | ||
| 426 | Q | 44.8 | Very low | 50.6 | Low | 138 Ų | 138 | 97 Ų | 97 | 65% | 0.645 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -59.5 | -19.1 | 176.7 | -150.4 | -163.9 | 47.9 | 0 | 0 | 112 | K430 | Q426-K430 WeakPolarHBondContact O-CB 3.2Å; Q426-K430 VanDerWaalsContact O-CD 3.28Å; Q426-K430 WeakPolarHBondContact O-CD 3.14Å; Q426-K430 WeakPolarHBondContact O-CG 3.28Å; Q426-K430 PolarHBondContact O-N 3.4Å |
| 427 | E | 50 | Low | 51.6 | Low | 145 Ų | 145 | 96.1 Ų | 96.1 | 68% | 0.678 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -81.1 | -36.6 | 176.3 | -56.7 | -176.7 | 138.2 | 0 | 0 | 112.6 | S425 K430 K431 | S425-E427 PolarHBondContact O-N 3.42Å; S425-E427 PolarHBondContact OG-N 3.01Å; E427-K430 PolarHBondContact O-N 3.44Å; E427-K431 WeakPolarHBondContact O-CB 3.43Å; E427-K431 WeakPolarHBondContact O-CG 3.26Å; E427-K431 PolarHBondContact O-N 2.83Å |
| 428 | E | 52.4 | Low | 52.3 | Low | 119 Ų | 119 | 101.7 Ų | 101.7 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.5 | -42 | 171.2 | -72.3 | -167.7 | 146.1 | 0 | 0 | 111.3 | S425 K430 K431 H432 | S425-E428 PolarHBondContact O-N 3.01Å; S425-E428 PolarHBondContact OG-N 2.75Å; S425-E428 VanDerWaalsContact OG-N 3.17Å; E428-K430 VanDerWaalsContact C-N 3.34Å; E428-K430 PolarHBondContact O-N 3.31Å; E428-K431 PolarHBondContact O-N 2.9Å; E428-H432 WeakPolarHBondContact O-CB 3.31Å; E428-H432 PolarHBondContact O-N 3.43Å |
| 429 | I | 54.5 | Low | 52.7 | Low | 93 Ų | 93 | 106.6 Ų | 106.6 | 48% | 0.477 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 175.2 | -62.6 | 173.7 | 0 | 0 | 0 | 110.4 | K424 S425 H432 H433 | K424-I429 HydrophobicContact CB-CD1 4.44Å; K424-I429 HydrophobicContact CB-CG1 4.41Å; S425-I429 PolarHBondContact O-N 2.73Å; S425-I429 VanDerWaalsContact O-N 3.12Å; I429-H432 PolarHBondContact O-N 3.14Å; I429-H433 PolarHBondContact O-N 2.81Å |
| 430 | K | 56.7 | Low | 53 | Low | 119 Ų | 119 | 109.7 Ų | 109.7 | 52% | 0.517 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 174.4 | -74.8 | 166.1 | -167.2 | 170 | 0 | 112.5 | Q426 E427 E428 H432 H433 A434 | Q426-K430 WeakPolarHBondContact O-CB 3.2Å; Q426-K430 VanDerWaalsContact O-CD 3.28Å; Q426-K430 WeakPolarHBondContact O-CD 3.14Å; Q426-K430 WeakPolarHBondContact O-CG 3.28Å; Q426-K430 PolarHBondContact O-N 3.4Å; E427-K430 PolarHBondContact O-N 3.44Å; E428-K430 VanDerWaalsContact C-N 3.34Å; E428-K430 PolarHBondContact O-N 3.31Å; K430-H432 PolarHBondContact O-N 3.49Å; K430-H433 PolarHBondContact O-N 3.13Å; K430-A434 WeakPolarHBondContact O-CB 3.35Å; K430-A434 PolarHBondContact O-N 3.02Å |
| 431 | K | 61.8 | Low | 54 | Low | 160 Ų | 160 | 111.3 Ų | 111.3 | 70% | 0.696 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -60.9 | -42.2 | 173.8 | -82.6 | -178.7 | 175.7 | 176.8 | 0 | 112.3 | E427 E428 H433 A434 S435 | E427-K431 WeakPolarHBondContact O-CB 3.43Å; E427-K431 WeakPolarHBondContact O-CG 3.26Å; E427-K431 PolarHBondContact O-N 2.83Å; E428-K431 PolarHBondContact O-N 2.9Å; K431-H433 VanDerWaalsContact C-N 3.33Å; K431-H433 PolarHBondContact O-N 3.2Å; K431-A434 PolarHBondContact O-N 3.45Å; K431-S435 WeakPolarHBondContact O-CB 3.42Å; K431-S435 PolarHBondContact O-N 3.2Å |
| 432 | H | 51.9 | Low | 54.7 | Low | 132 Ų | 132 | 112.7 Ų | 112.7 | 61% | 0.611 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.7 | -38 | 179 | -140 | -57.8 | 0 | 0 | 0 | 111.5 | E428 I429 K430 S435 I436 | E428-H432 WeakPolarHBondContact O-CB 3.31Å; E428-H432 PolarHBondContact O-N 3.43Å; I429-H432 PolarHBondContact O-N 3.14Å; K430-H432 PolarHBondContact O-N 3.49Å; H432-S435 PolarHBondContact O-N 2.88Å; H432-I436 WeakPolarHBondContact O-CB 3.39Å; H432-I436 WeakPolarHBondContact O-CD1 3.49Å; H432-I436 VanDerWaalsContact O-CG1 3.23Å; H432-I436 WeakPolarHBondContact O-CG1 3.41Å; H432-I436 PolarHBondContact O-N 3.17Å |
| 433 | H | 52.9 | Low | 54.8 | Low | 131 Ų | 131 | 115.3 Ų | 115.3 | 61% | 0.606 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -70 | -37.6 | 176.4 | -137.7 | 88.1 | 0 | 0 | 0 | 112.9 | I429 K430 K431 S437 | I429-H433 PolarHBondContact O-N 2.81Å; K430-H433 PolarHBondContact O-N 3.13Å; K431-H433 VanDerWaalsContact C-N 3.33Å; K431-H433 PolarHBondContact O-N 3.2Å; H433-S437 PolarHBondContact O-N 2.85Å; H433-S437 VanDerWaalsContact O-N 3.08Å; H433-S437 PolarHBondContact O-OG 2.63Å |
| 434 | A | 54 | Low | 55 | Low | 56 Ų | 56 | 114.4 Ų | 114.4 | 46% | 0.463 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -46.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K430 K431 I436 S437 E438 | K430-A434 WeakPolarHBondContact O-CB 3.35Å; K430-A434 PolarHBondContact O-N 3.02Å; K431-A434 PolarHBondContact O-N 3.45Å; A434-I436 VanDerWaalsContact C-N 3.34Å; A434-I436 PolarHBondContact O-N 3.17Å; A434-S437 WeakPolarHBondContact O-CA 3.46Å; A434-S437 WeakPolarHBondContact O-CB 3.44Å; A434-S437 PolarHBondContact O-N 3.24Å; A434-E438 PolarHBondContact O-N 2.68Å |
| 435 | S | 59.7 | Low | 55 | Low | 57 Ų | 57 | 113.7 Ų | 113.7 | 40% | 0.399 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.4 | -40.6 | 176.3 | 179.7 | 0 | 0 | 0 | 0 | 112.6 | K431 H432 S437 E438 L439 | K431-S435 WeakPolarHBondContact O-CB 3.42Å; K431-S435 PolarHBondContact O-N 3.2Å; H432-S435 PolarHBondContact O-N 2.88Å; S435-S437 VanDerWaalsContact C-N 3.28Å; S435-S437 PolarHBondContact O-N 2.89Å; S435-E438 PolarHBondContact O-N 3.45Å; S435-L439 WeakPolarHBondContact O-CB 3.35Å; S435-L439 PolarHBondContact O-N 3.45Å |
| 436 | I | 53.3 | Low | 54.5 | Low | 89 Ų | 89 | 115 Ų | 115 | 46% | 0.456 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.7 | -34.7 | 174.1 | -72 | 164.6 | 0 | 0 | 0 | 111.4 | H432 A434 K440 | H432-I436 WeakPolarHBondContact O-CB 3.39Å; H432-I436 WeakPolarHBondContact O-CD1 3.49Å; H432-I436 VanDerWaalsContact O-CG1 3.23Å; H432-I436 WeakPolarHBondContact O-CG1 3.41Å; H432-I436 PolarHBondContact O-N 3.17Å; A434-I436 VanDerWaalsContact C-N 3.34Å; A434-I436 PolarHBondContact O-N 3.17Å; I436-K440 VanDerWaalsContact O-CB 3.27Å; I436-K440 WeakPolarHBondContact O-CB 3.49Å; I436-K440 PolarHBondContact O-N 2.84Å |
| 437 | S | 60 | Low | 54.4 | Low | 70 Ų | 70 | 113.6 Ų | 113.6 | 49% | 0.49 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -71.3 | -39.7 | 177.4 | -61.2 | 0 | 0 | 0 | 0 | 112.4 | H433 A434 S435 K440 K441 | H433-S437 PolarHBondContact O-N 2.85Å; H433-S437 VanDerWaalsContact O-N 3.08Å; H433-S437 PolarHBondContact O-OG 2.63Å; A434-S437 WeakPolarHBondContact O-CA 3.46Å; A434-S437 WeakPolarHBondContact O-CB 3.44Å; A434-S437 PolarHBondContact O-N 3.24Å; S435-S437 VanDerWaalsContact C-N 3.28Å; S435-S437 PolarHBondContact O-N 2.89Å; S437-K440 PolarHBondContact O-N 2.98Å; S437-K441 PolarHBondContact O-N 2.95Å |
| 438 | E | 60.6 | Low | 54.4 | Low | 136 Ų | 136 | 111.7 Ų | 111.7 | 64% | 0.636 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.8 | -40.6 | 172.9 | -69.4 | -171 | 156.6 | 0 | 0 | 112.5 | A434 S435 K440 K441 N442 | A434-E438 PolarHBondContact O-N 2.68Å; S435-E438 PolarHBondContact O-N 3.45Å; E438-K440 VanDerWaalsContact C-N 3.33Å; E438-K440 PolarHBondContact O-N 3.4Å; E438-K441 PolarHBondContact O-N 3.08Å; E438-N442 PolarHBondContact O-N 3.3Å |
| 439 | L | 55.3 | Low | 54 | Low | 113 Ų | 113 | 114.4 Ų | 114.4 | 59% | 0.592 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -59.6 | -43.4 | 171.7 | -86.7 | 159.5 | 0 | 0 | 0 | 111.5 | S435 N442 F443 | S435-L439 WeakPolarHBondContact O-CB 3.35Å; S435-L439 PolarHBondContact O-N 3.45Å; L439-N442 PolarHBondContact O-N 2.82Å; L439-F443 VanDerWaalsContact O-CB 3.29Å; L439-F443 WeakPolarHBondContact O-CB 3.43Å; L439-F443 PolarHBondContact O-N 2.87Å |
| 440 | K | 56.8 | Low | 53.4 | Low | 139 Ų | 139 | 116.4 Ų | 116.4 | 60% | 0.604 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.3 | -38 | 176 | -170.5 | 174.7 | -178.8 | -179.9 | 0 | 112.1 | I436 S437 E438 M444 | I436-K440 VanDerWaalsContact O-CB 3.27Å; I436-K440 WeakPolarHBondContact O-CB 3.49Å; I436-K440 PolarHBondContact O-N 2.84Å; S437-K440 PolarHBondContact O-N 2.98Å; E438-K440 VanDerWaalsContact C-N 3.33Å; E438-K440 PolarHBondContact O-N 3.4Å; K440-M444 HydrophobicContact CG-SD 4.23Å; K440-M444 WeakPolarHBondContact O-CB 3.23Å; K440-M444 WeakPolarHBondContact O-CG 3.49Å; K440-M444 PolarHBondContact O-N 2.96Å |
| 441 | K | 66.1 | Low | 53.2 | Low | 114 Ų | 114 | 121.7 Ų | 121.7 | 50% | 0.496 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -60.7 | -54.1 | 172.9 | -167.5 | -172.3 | 76 | 75 | 0 | 110.6 | S437 E438 F443 M444 E445 | S437-K441 PolarHBondContact O-N 2.95Å; E438-K441 PolarHBondContact O-N 3.08Å; K441-F443 VanDerWaalsContact C-N 3.3Å; K441-F443 PolarHBondContact O-N 2.74Å; K441-M444 PolarHBondContact O-N 3.32Å; K441-M444 VanDerWaalsContact O-N 3.15Å; K441-E445 IonicContact NZ-OE1 2.73Å; K441-E445 IonicContact NZ-OE2 3.7Å; K441-E445 PolarHBondContact NZ-OE2 2.9Å; K441-E445 VanDerWaalsContact O-CB 3.27Å; K441-E445 WeakPolarHBondContact O-CB 3.49Å; K441-E445 PolarHBondContact O-N 3.5Å |
| 442 | N | 60.1 | Low | 52.3 | Low | 94 Ų | 94 | 118.9 Ų | 118.9 | 50% | 0.503 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -59.7 | -40 | 179.9 | -74.2 | -4.6 | 0 | 0 | 0 | 112 | E438 L439 E445 S446 | E438-N442 PolarHBondContact O-N 3.3Å; L439-N442 PolarHBondContact O-N 2.82Å; N442-E445 PolarHBondContact O-N 3.07Å; N442-S446 WeakPolarHBondContact O-CB 3.42Å; N442-S446 PolarHBondContact O-N 3.36Å; N442-S446 PolarHBondContact O-OG 3.09Å; N442-S446 VanDerWaalsContact O-OG 3.13Å |
| 443 | F | 51.7 | Low | 52.4 | Low | 161 Ų | 161 | 115 Ų | 115 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -66.9 | -34.7 | 177.4 | -171.7 | -95.7 | 0 | 0 | 0 | 113.3 | L439 K441 S446 | L439-F443 VanDerWaalsContact O-CB 3.29Å; L439-F443 WeakPolarHBondContact O-CB 3.43Å; L439-F443 PolarHBondContact O-N 2.87Å; K441-F443 VanDerWaalsContact C-N 3.3Å; K441-F443 PolarHBondContact O-N 2.74Å; F443-S446 PolarHBondContact O-OG 2.79Å |
| 444 | M | 46.6 | Very low | 52.3 | Low | 136 Ų | 136 | 115.1 Ų | 115.1 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -77.9 | -24.9 | 174 | -71.1 | -178.8 | 63.9 | 0 | 0 | 113.1 | K440 K441 | K440-M444 HydrophobicContact CG-SD 4.23Å; K440-M444 WeakPolarHBondContact O-CB 3.23Å; K440-M444 WeakPolarHBondContact O-CG 3.49Å; K440-M444 PolarHBondContact O-N 2.96Å; K441-M444 PolarHBondContact O-N 3.32Å; K441-M444 VanDerWaalsContact O-N 3.15Å |
| 445 | E | 49.4 | Very low | 51.9 | Low | 135 Ų | 135 | 121.7 Ų | 121.7 | 63% | 0.631 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -88.7 | -16 | 178.6 | -165.1 | 167.4 | -165.2 | 0 | 0 | 112.5 | K441 N442 | K441-E445 IonicContact NZ-OE1 2.73Å; K441-E445 IonicContact NZ-OE2 3.7Å; K441-E445 PolarHBondContact NZ-OE2 2.9Å; K441-E445 VanDerWaalsContact O-CB 3.27Å; K441-E445 WeakPolarHBondContact O-CB 3.49Å; K441-E445 PolarHBondContact O-N 3.5Å; N442-E445 PolarHBondContact O-N 3.07Å |
| 446 | S | 46.7 | Very low | 51.5 | Low | 79 Ų | 79 | 123.1 Ų | 123.1 | 55% | 0.552 | 62% | 0.622 | S | S | * | * | trans | -96.4 | 21.1 | 178.4 | 74 | 0 | 0 | 0 | 0 | 114.6 | N442 F443 P448 | N442-S446 WeakPolarHBondContact O-CB 3.42Å; N442-S446 PolarHBondContact O-N 3.36Å; N442-S446 PolarHBondContact O-OG 3.09Å; N442-S446 VanDerWaalsContact O-OG 3.13Å; F443-S446 PolarHBondContact O-OG 2.79Å; S446-P448 VanDerWaalsContact O-CD 3.3Å; S446-P448 WeakPolarHBondContact O-CD 3.49Å | ||
| 447 | V | 43 | Very low | 51.6 | Low | 108 Ų | 108 | 124.3 Ų | 124.3 | 66% | 0.655 | 62% | 0.624 | S | S | * | * | trans | -78.2 | 116 | 176.4 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 448 | P | 49.6 | Very low | 51.4 | Low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 63% | 0.634 | S | S | * | * | trans | -72.5 | 153.2 | 175.2 | -12.9 | 30 | 0 | 0 | 0 | 111.2 | S446 | S446-P448 VanDerWaalsContact O-CD 3.3Å; S446-P448 WeakPolarHBondContact O-CD 3.49Å | ||
| 449 | E | 42.8 | Very low | 50.9 | Low | 176 Ų | 176 | 131 Ų | 131 | 82% | 0.822 | 64% | 0.644 | S | S | * | * | trans | -55.2 | 140.9 | 171.7 | -71.3 | -177.4 | 119.5 | 0 | 0 | 111.7 | R451 | E449-R451 PolarHBondContact O-N 2.77Š| ||
| 450 | P | 41.8 | Very low | 50.7 | Low | 134 Ų | 134 | 130.2 Ų | 130.2 | 87% | 0.87 | 65% | 0.648 | S | S | * | * | trans | -61.5 | 105.4 | -176.4 | -24.1 | 34.6 | 0 | 0 | 0 | 112.9 | ||||
| 451 | R | 52.9 | Low | 50.1 | Low | 230 Ų | 230 | 128.2 Ų | 128.2 | 87% | 0.868 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -82 | 131.8 | 169.2 | -66.3 | -176.2 | 179.9 | 178.3 | 0.7 | 109.5 | E449 | E449-R451 PolarHBondContact O-N 2.77Š|
| 452 | P | 42.8 | Very low | 48.8 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 146.4 | 176 | -25.5 | 34.5 | 0 | 0 | 0 | 112.5 | ||
| 453 | S | 55.4 | Low | 47.6 | Very low | 49 Ų | 49 | 132.8 Ų | 132.8 | 34% | 0.343 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -75.8 | 164.9 | -176.4 | 82.2 | 0 | 0 | 0 | 0 | 111.9 | W455 D456 | S453-W455 PolarHBondContact O-N 2.71Å; S453-W455 PolarHBondContact OG-N 2.77Å; S453-D456 WeakPolarHBondContact CA-OD2 3.36Å; S453-D456 VanDerWaalsContact CB-OD2 3.26Å; S453-D456 WeakPolarHBondContact CB-OD2 3.49Å; S453-D456 PolarHBondContact N-OD2 2.85Å; S453-D456 PolarHBondContact O-N 3.38Å; S453-D456 PolarHBondContact OG-N 3.12Å; S453-D456 PolarHBondContact OG-OD2 3.43Å |
| 454 | E | 50.1 | Low | 46.9 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 63% | 0.626 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.3 | -11.5 | 174.9 | -52.2 | -147.7 | 121.8 | 0 | 0 | 113.1 | K457 R458 | E454-K457 IonicContact OE1-NZ 3.46Å; E454-K457 PolarHBondContact OE1-NZ 3.48Å; E454-R458 WeakPolarHBondContact O-CG 3.47Å; E454-R458 PolarHBondContact O-N 3Å |
| 455 | W | 44.8 | Very low | 46.2 | Very low | 195 Ų | 195 | 132.5 Ų | 132.5 | 74% | 0.739 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -75.3 | -40.1 | 172.5 | -63 | 87.9 | 0 | 0 | 0 | 111.2 | S453 K457 R458 L459 | S453-W455 PolarHBondContact O-N 2.71Å; S453-W455 PolarHBondContact OG-N 2.77Å; W455-K457 VanDerWaalsContact C-N 3.25Å; W455-K457 PolarHBondContact O-N 3.37Å; W455-R458 PolarHBondContact O-N 3.34Å; W455-L459 PolarHBondContact O-N 3.11Å; W455-L459 VanDerWaalsContact O-N 3.1Å |
| 456 | D | 52.2 | Low | 45.7 | Very low | 87 Ų | 87 | 136.6 Ų | 136.6 | 47% | 0.465 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -59.6 | -39 | 174.4 | -55.5 | -61.4 | 0 | 0 | 0 | 111.2 | S453 R458 S460 | S453-D456 WeakPolarHBondContact CA-OD2 3.36Å; S453-D456 VanDerWaalsContact CB-OD2 3.26Å; S453-D456 WeakPolarHBondContact CB-OD2 3.49Å; S453-D456 PolarHBondContact N-OD2 2.85Å; S453-D456 PolarHBondContact O-N 3.38Å; S453-D456 PolarHBondContact OG-N 3.12Å; S453-D456 PolarHBondContact OG-OD2 3.43Å; D456-R458 PolarHBondContact O-N 2.99Å; D456-S460 WeakPolarHBondContact O-CB 3.29Å; D456-S460 PolarHBondContact O-N 3.49Å; D456-S460 PolarHBondContact O-OG 2.97Å |
| 457 | K | 55.2 | Low | 45 | Very low | 113 Ų | 113 | 137.6 Ų | 137.6 | 49% | 0.491 | 70% | 0.699 | S | S | . | * | H | α-helix | trans | -63.6 | -38.1 | 174.8 | -61.7 | 177.4 | -167.8 | 166.6 | 0 | 112.3 | E454 W455 T461 | E454-K457 IonicContact OE1-NZ 3.46Å; E454-K457 PolarHBondContact OE1-NZ 3.48Å; W455-K457 VanDerWaalsContact C-N 3.25Å; W455-K457 PolarHBondContact O-N 3.37Å; K457-T461 WeakPolarHBondContact O-CG2 3.48Å; K457-T461 PolarHBondContact O-OG1 3.31Å |
| 458 | R | 56.5 | Low | 44.6 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 71% | 0.709 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -76.1 | -33.5 | -176.8 | -76.3 | 177.2 | 171.6 | -166.4 | -2.8 | 113.6 | E454 W455 D456 S460 | E454-R458 WeakPolarHBondContact O-CG 3.47Å; E454-R458 PolarHBondContact O-N 3Å; W455-R458 PolarHBondContact O-N 3.34Å; D456-R458 PolarHBondContact O-N 2.99Å; R458-S460 VanDerWaalsContact C-N 3.35Å |
| 459 | L | 48.3 | Very low | 43.7 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 83% | 0.827 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -77.7 | -21.3 | 174.1 | -68.7 | 172.4 | 0 | 0 | 0 | 112.8 | W455 | W455-L459 PolarHBondContact O-N 3.11Å; W455-L459 VanDerWaalsContact O-N 3.1Å |
| 460 | S | 51.1 | Low | 43.2 | Very low | 98 Ų | 98 | 139.4 Ų | 139.4 | 69% | 0.685 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -6.4 | -179.9 | -58.7 | 0 | 0 | 0 | 0 | 114.7 | D456 R458 | D456-S460 WeakPolarHBondContact O-CB 3.29Å; D456-S460 PolarHBondContact O-N 3.49Å; D456-S460 PolarHBondContact O-OG 2.97Å; R458-S460 VanDerWaalsContact C-N 3.35Å |
| 461 | T | 44.2 | Very low | 42.7 | Very low | 97 Ų | 97 | 140.7 Ų | 140.7 | 60% | 0.595 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -126.4 | 51.6 | -170.5 | 62.4 | 0 | 0 | 0 | 0 | 114.4 | K457 | K457-T461 WeakPolarHBondContact O-CG2 3.48Å; K457-T461 PolarHBondContact O-OG1 3.31Å |
| 462 | H | 39.1 | Very low | 41.6 | Very low | 193 Ų | 193 | 133.3 Ų | 133.3 | 89% | 0.894 | 70% | 0.697 | S | S | * | * | trans | -179.7 | 87.9 | 142.3 | -98 | -66.7 | 0 | 0 | 0 | 111.3 | ||||
| 463 | S | 35 | Very low | 41 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 77% | 0.769 | 71% | 0.709 | S | S | * | * | trans | -136.7 | 112.5 | 165.1 | -174.7 | 0 | 0 | 0 | 0 | 109.7 | F465 | S463-F465 PolarHBondContact O-N 3.5Š| ||
| 464 | P | 37.3 | Very low | 40 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 75% | 0.747 | 73% | 0.727 | S | S | * | * | trans | -94.4 | 44.8 | -158.5 | 37.2 | -38.3 | 0 | 0 | 0 | 115.7 | ||||
| 465 | F | 32.1 | Very low | 39.5 | Very low | 176 Ų | 176 | 140.7 Ų | 140.7 | 77% | 0.772 | 74% | 0.736 | S | S | * | * | trans | -144.6 | 106.6 | 176.5 | -82.2 | -78.8 | 0 | 0 | 0 | 115.5 | S463 | S463-F465 PolarHBondContact O-N 3.5Š| ||
| 466 | R | 39.1 | Very low | 39.1 | Very low | 221 Ų | 221 | 137.5 Ų | 137.5 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | trans | 63 | 147 | 143.9 | -62.7 | -77 | -173.4 | 169.5 | -0.1 | 117.6 | ||||
| 467 | T | 32.9 | Very low | 38 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 61% | 0.613 | 75% | 0.752 | S | S | * | * | cis | -160 | 152.2 | -4.4 | -3.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 468 | L | 32.5 | Very low | 36.8 | Very low | 150 Ų | 150 | 139.6 Ų | 139.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | trans | 18.3 | 124.1 | 145.9 | -69.7 | 166.6 | 0 | 0 | 0 | 122.8 | ||||
| 469 | N | 31.9 | Very low | 35.5 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | -165.6 | 108.9 | 127.7 | -125.9 | 5.2 | 0 | 0 | 0 | 107.9 | |||||
| 470 | I | 31.6 | Very low | 34.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | 79.4 | 132 | 78.4 | -69.7 | 179 | 0 | 0 | 0 | 114.4 | |||||
| 471 | N | 31 | Very low | 33.6 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | 61.6 | 117.7 | -178 | -67.7 | 1.6 | 0 | 0 | 0 | 116.9 | ||||
| 472 | G | 30.2 | Very low | 33.2 | Very low | 74 Ų | 74 | 135.3 Ų | 135.3 | 76% | 0.763 | 78% | 0.781 | S | S | * | * | cis | 125.2 | 102.3 | -14.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 473 | Q | 30.8 | Very low | 32.7 | Very low | 197 Ų | 197 | 129.1 Ų | 129.1 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -161 | 150.2 | 151.9 | -114.7 | 171.9 | 10.7 | 0 | 0 | 110.5 | ||||
| 474 | V | 33.6 | Very low | 32.7 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.715 | 77% | 0.771 | S | S | * | * | trans | -139 | 140.1 | -176.3 | -177.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 475 | P | 41.1 | Very low | 32.4 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -132.9 | 155.9 | 120.9 | 15.3 | 4.6 | 0 | 0 | 0 | 111.8 | |||||
| 476 | T | 34.6 | Very low | 32.3 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | cis | 155.6 | 129.5 | -21.3 | -89.1 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 477 | G | 29.7 | Very low | 32 | Very low | 73 Ų | 73 | 131.6 Ų | 131.6 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 103 | 145.5 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 478 | D | 31 | Very low | 31.9 | Very low | 171 Ų | 171 | 134.8 Ų | 134.8 | 91% | 0.914 | 78% | 0.78 | S | S | * | * | cis | -159.7 | 148.7 | -13.3 | -162.7 | 9.3 | 0 | 0 | 0 | 112.2 | ||||
| 479 | G | 29.4 | Very low | 31.9 | Very low | 65 Ų | 65 | 132.9 Ų | 132.9 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | trans | 64.9 | 169.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 480 | S | 28.3 | Very low | 31.8 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -165.3 | 120.3 | -27.1 | -162.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 481 | V | 31.2 | Very low | 31.6 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | 69.9 | 146.8 | 141.5 | 169.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 482 | N | 34.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 86% | 0.856 | 77% | 0.767 | S | S | * | * | trans | 73.4 | 134.7 | 175.8 | -59.6 | -31.8 | 0 | 0 | 0 | 118.1 | ||||
| 483 | G | 30 | Very low | 31.6 | Very low | 64 Ų | 64 | 129.9 Ų | 129.9 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | cis | 153.1 | 118.8 | -17.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 484 | I | 34.6 | Very low | 31.6 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 81% | 0.805 | 77% | 0.766 | S | S | * | * | trans | 54.9 | 117.2 | 142.4 | -52.3 | 172.6 | 0 | 0 | 0 | 116.6 | ||||
| 485 | R | 30 | Very low | 31.3 | Very low | 233 Ų | 233 | 128 Ų | 128 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | -170.7 | 175.7 | 55.6 | -144.9 | 159.6 | -173.3 | 149.8 | 0.5 | 113.7 | |||||
| 486 | T | 29.9 | Very low | 31.9 | Very low | 114 Ų | 114 | 128.2 Ų | 128.2 | 70% | 0.699 | 77% | 0.766 | S | S | * | * | trans | -96.5 | -178.7 | 176.4 | -19 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 487 | E | 32.4 | Very low | 31.5 | Very low | 169 Ų | 169 | 127 Ų | 127 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 76.8 | 145.3 | 153 | -81.6 | 156.5 | -162.9 | 0 | 0 | 118 | ||||
| 488 | E | 31 | Very low | 31.4 | Very low | 168 Ų | 168 | 129.5 Ų | 129.5 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | cis | -166 | -169.8 | -10 | -150.4 | -150.5 | 136 | 0 | 0 | 111 | ||||
| 489 | V | 32.3 | Very low | 31.5 | Very low | 109 Ų | 109 | 131.6 Ų | 131.6 | 66% | 0.661 | 76% | 0.761 | S | S | * | * | trans | 72.2 | 110.8 | 155.2 | 172.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 490 | A | 30.4 | Very low | 32.5 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 65% | 0.653 | 77% | 0.765 | S | S | * | * | 44.6 | 156.7 | 115.8 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 491 | T | 27.6 | Very low | 32.5 | Very low | 129 Ų | 129 | 133.6 Ų | 133.6 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | cis | -171.3 | -167.5 | -9 | 19.1 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 492 | V | 32.2 | Very low | 32.4 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 73% | 0.733 | 77% | 0.773 | S | S | * | * | trans | 89.9 | 86 | 155.3 | -165.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 493 | T | 29 | Very low | 32.5 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | 25.9 | 128.2 | 132.5 | 58.4 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 494 | K | 30.9 | Very low | 32.5 | Very low | 206 Ų | 206 | 143.8 Ų | 143.8 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | 180 | 144.9 | 102.8 | -95.4 | 172.6 | -177.8 | 179.1 | 0 | 111.9 | |||||
| 495 | G | 27.4 | Very low | 32.2 | Very low | 68 Ų | 68 | 145.3 Ų | 145.3 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -118.7 | -153.2 | 157.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 496 | P | 53.8 | Low | 32.3 | Very low | 131 Ų | 131 | 139.9 Ų | 139.9 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | cis | -121.1 | -158.9 | -16.8 | 41 | -25.6 | 0 | 0 | 0 | 110.6 | ||||
| 497 | S | 26.3 | Very low | 32.7 | Very low | 102 Ų | 102 | 139.9 Ų | 139.9 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | 147.9 | 121.4 | 135.7 | -169.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 498 | T | 27.1 | Very low | 32.5 | Very low | 127 Ų | 127 | 140.2 Ų | 140.2 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | trans | 73.2 | 139.9 | 139 | -52.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 499 | Y | 32.5 | Very low | 32.3 | Very low | 215 Ų | 215 | 140.2 Ų | 140.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | trans | -83.1 | -162.2 | 176.1 | -50.8 | -100.2 | 0 | 0 | 0 | 112.1 | ||||
| 500 | P | 50.6 | Low | 32 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 80% | 0.795 | S | S | * | * | cis | -133.9 | 175.9 | -15.4 | 30.9 | -8.6 | 0 | 0 | 0 | 116.4 | ||||
| 501 | A | 28 | Very low | 31.8 | Very low | 98 Ų | 98 | 142.7 Ų | 142.7 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | 51.7 | 130.9 | 144 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 502 | S | 30.6 | Very low | 31.8 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 81% | 0.811 | 80% | 0.799 | S | S | * | * | -168.4 | 144.5 | 123.4 | 36.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 503 | E | 37 | Very low | 32.8 | Very low | 186 Ų | 186 | 141.8 Ų | 141.8 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -90.6 | 145.9 | 170.1 | -57.3 | 166.6 | 112.9 | 0 | 0 | 110 | ||||
| 504 | W | 28.2 | Very low | 32.7 | Very low | 253 Ų | 253 | 141.2 Ų | 141.2 | 96% | 0.958 | 80% | 0.797 | S | S | * | * | trans | -155.5 | 154.5 | 156.8 | -97.4 | 92.7 | 0 | 0 | 0 | 110.7 | ||||
| 505 | E | 28.5 | Very low | 32.6 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -88 | 172.1 | -167.7 | -65.9 | -175.8 | 98.1 | 0 | 0 | 116.3 | ||||
| 506 | C | 32.6 | Very low | 32.8 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | trans | -76.6 | 150.7 | -172.8 | 175.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 507 | P | 38.2 | Very low | 31.7 | Very low | 114 Ų | 114 | 143.5 Ų | 143.5 | 74% | 0.74 | 80% | 0.797 | S | S | * | * | trans | -144.9 | 124.4 | 138.4 | 34.9 | -17.7 | 0 | 0 | 0 | 118.4 | ||||
| 508 | K | 28.6 | Very low | 32 | Very low | 176 Ų | 176 | 146.3 Ų | 146.3 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | 38.1 | 123.8 | 130.5 | -64.4 | -179.1 | -179.8 | 178.9 | 0 | 124.5 | ||||
| 509 | Q | 26.1 | Very low | 31.8 | Very low | 168 Ų | 168 | 146 Ų | 146 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | 81.4 | 150.5 | 124.3 | -70.3 | -177.7 | -86.8 | 0 | 0 | 125.5 | |||||
| 510 | S | 26.3 | Very low | 31.4 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | 83.9 | 153 | 155.5 | 84.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 511 | V | 25.6 | Very low | 31.4 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | cis | -153.3 | 132.8 | -8.2 | 110.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 512 | V | 28.5 | Very low | 32.2 | Very low | 127 Ų | 127 | 142.9 Ų | 142.9 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | 66.7 | 172.7 | 98.3 | -146.1 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 513 | P | 52.1 | Low | 31.9 | Very low | 105 Ų | 105 | 141.5 Ų | 141.5 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | -133.9 | -173.6 | -102.9 | 44.9 | -27.4 | 0 | 0 | 0 | 117.9 | |||||
| 514 | S | 28.8 | Very low | 31.4 | Very low | 109 Ų | 109 | 138.1 Ų | 138.1 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | 155.7 | 135 | 122.6 | -70.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 515 | Q | 27.5 | Very low | 32.4 | Very low | 202 Ų | 202 | 131.3 Ų | 131.3 | 94% | 0.944 | 78% | 0.776 | S | S | * | * | -168.3 | 176.3 | 125.8 | -104.2 | -176.8 | 24.6 | 0 | 0 | 111.5 | |||||
| 516 | S | 32.6 | Very low | 32.3 | Very low | 108 Ų | 108 | 130.9 Ų | 130.9 | 76% | 0.755 | 77% | 0.774 | S | S | * | * | trans | -145.4 | 178.4 | -138.3 | -168 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 517 | L | 31 | Very low | 32 | Very low | 143 Ų | 143 | 129.7 Ų | 129.7 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | 86.6 | 142.9 | 178.7 | -53.4 | 175.2 | 0 | 0 | 0 | 115.3 | ||||
| 518 | M | 31.7 | Very low | 31.5 | Very low | 161 Ų | 161 | 134.5 Ų | 134.5 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | cis | -164.6 | -179.6 | -24.6 | -120.5 | -176.8 | -174.8 | 0 | 0 | 107.3 | ||||
| 519 | T | 23.4 | Very low | 31.2 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | cis | -147.2 | -166.4 | 13.8 | -23.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 520 | T | 24.1 | Very low | 31.4 | Very low | 124 Ų | 124 | 128.3 Ų | 128.3 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | -154.4 | -166.2 | -172.2 | 62.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 521 | P | 50.8 | Low | 31.2 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -123.3 | -160.1 | -29.5 | 30.4 | -7.9 | 0 | 0 | 0 | 110.5 | ||||
| 522 | P | 43.5 | Very low | 31.4 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | cis | -122.7 | -148.1 | -2.8 | 33.4 | -8.1 | 0 | 0 | 0 | 111.4 | ||||
| 523 | A | 24.3 | Very low | 31.2 | Very low | 87 Ų | 87 | 127.3 Ų | 127.3 | 72% | 0.719 | 79% | 0.789 | S | S | * | * | cis | -157 | 173.3 | 5.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 524 | S | 27.2 | Very low | 29.8 | Very low | 115 Ų | 115 | 126.7 Ų | 126.7 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | -155.7 | -177.9 | 176.5 | -24.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 525 | P | 48.6 | Very low | 29.7 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | cis | -134.9 | -162.7 | -22.9 | 29.7 | -5.8 | 0 | 0 | 0 | 113.3 | ||||
| 526 | Q | 26.5 | Very low | 29.5 | Very low | 178 Ų | 178 | 125.9 Ų | 125.9 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | trans | 110.9 | 122.8 | 149.9 | -60.1 | -162.8 | -5 | 0 | 0 | 122.3 | ||||
| 527 | S | 26.3 | Very low | 29.3 | Very low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | 61 | 119.1 | 121.7 | -166.2 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 528 | F | 28.2 | Very low | 29 | Very low | 214 Ų | 214 | 128 Ų | 128 | 94% | 0.939 | 79% | 0.785 | S | S | * | * | trans | 33.2 | 129 | 142.4 | -70.2 | -82.4 | 0 | 0 | 0 | 122.6 | ||||
| 529 | G | 22.6 | Very low | 28.6 | Very low | 77 Ų | 77 | 128.2 Ų | 128.2 | 79% | 0.794 | 78% | 0.783 | S | S | * | * | trans | -167.9 | 132.6 | 155.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 530 | S | 30 | Very low | 28.6 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 97% | 0.965 | 79% | 0.789 | S | S | * | * | trans | -83.8 | 140.4 | 173.5 | -59.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 531 | G | 22.8 | Very low | 28.7 | Very low | 78 Ų | 78 | 128.7 Ų | 128.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -159.1 | 114.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 532 | S | 28.4 | Very low | 27.5 | Very low | 104 Ų | 104 | 132.6 Ų | 132.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -84.4 | 151.3 | 171.2 | -175.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 533 | L | 24.8 | Very low | 26.7 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | 169.9 | 101.7 | 146.8 | -92.9 | 170.5 | 0 | 0 | 0 | 106.1 | ||||
| 534 | S | 23.4 | Very low | 26.8 | Very low | 93 Ų | 93 | 139.8 Ų | 139.8 | 65% | 0.65 | 80% | 0.8 | S | S | * | * | 62 | 85.4 | 62.2 | -48.3 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 535 | I | 26.6 | Very low | 26.7 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 90% | 0.897 | 80% | 0.8 | S | S | * | * | trans | -116.3 | 137.7 | 149.2 | -64.6 | -177 | 0 | 0 | 0 | 107.7 | ||||
| 536 | N | 22.8 | Very low | 25.6 | Very low | 119 Ų | 119 | 141 Ų | 141 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -107.2 | 122.3 | -162.3 | 179.9 | 5.2 | 0 | 0 | 0 | 111.2 | K538 | N536-K538 PolarHBondContact OD1-N 2.91Š| ||
| 537 | S | 28 | Very low | 25.5 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | trans | -120.3 | 106.5 | 161 | -72.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 538 | K | 25.2 | Very low | 25.6 | Very low | 172 Ų | 172 | 137.7 Ų | 137.7 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | trans | -65.2 | 158.4 | -171.8 | -78.1 | -172.5 | 172.1 | -174.8 | 0 | 113.7 | N536 | N536-K538 PolarHBondContact OD1-N 2.91Š| ||
| 539 | E | 23.9 | Very low | 25.4 | Very low | 164 Ų | 164 | 131.2 Ų | 131.2 | 77% | 0.766 | 81% | 0.807 | S | S | * | * | trans | -60.6 | 153.1 | 169.8 | -53.8 | 124.9 | 129 | 0 | 0 | 112.4 | ||||
| 540 | A | 23.7 | Very low | 25.6 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | -135.3 | 67.9 | 145.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | E542 | A540-E542 PolarHBondContact O-N 3.32Š| ||
| 541 | E | 25.4 | Very low | 25.4 | Very low | 151 Ų | 151 | 139.2 Ų | 139.2 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | trans | -70.7 | 106.9 | 167.4 | -71.9 | -162.7 | 144.4 | 0 | 0 | 109.1 | K543 | E541-K543 PolarHBondContact O-N 3.26Å; E541-K543 VanDerWaalsContact O-N 3.08Å | ||
| 542 | E | 26.1 | Very low | 25.5 | Very low | 195 Ų | 195 | 141.7 Ų | 141.7 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | trans | -69.8 | 102.4 | 158.9 | -89.2 | -169.9 | 134.5 | 0 | 0 | 108.8 | A540 E544 | A540-E542 PolarHBondContact O-N 3.32Å; E542-E544 PolarHBondContact O-N 2.84Å; E542-E544 VanDerWaalsContact O-N 3.12Å | ||
| 543 | K | 26.3 | Very low | 25.4 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 74% | 0.739 | 80% | 0.803 | S | S | * | * | trans | -67.4 | 102.8 | 169.6 | -69.8 | 177.4 | 177.9 | 174.8 | 0 | 109.3 | E541 Q545 | E541-K543 PolarHBondContact O-N 3.26Å; E541-K543 VanDerWaalsContact O-N 3.08Å; K543-Q545 PolarHBondContact O-N 2.81Å | ||
| 544 | E | 25.2 | Very low | 25.5 | Very low | 195 Ų | 195 | 142.4 Ų | 142.4 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -65.4 | 105.9 | 157.8 | -170.4 | 171.1 | -143.8 | 0 | 0 | 107.7 | E542 G546 | E542-E544 PolarHBondContact O-N 2.84Å; E542-E544 VanDerWaalsContact O-N 3.12Å; E544-G546 PolarHBondContact O-N 2.85Å | ||
| 545 | Q | 25.7 | Very low | 25.6 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 81% | 0.808 | 81% | 0.807 | S | S | * | * | trans | -73.9 | 100.7 | -175.7 | -70.4 | 175.7 | -63.5 | 0 | 0 | 109.7 | K543 A547 | K543-Q545 PolarHBondContact O-N 2.81Å; Q545-A547 VanDerWaalsContact C-N 3.3Å; Q545-A547 PolarHBondContact O-N 2.9Å | ||
| 546 | G | 25.3 | Very low | 25.6 | Very low | 78 Ų | 78 | 144.4 Ų | 144.4 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -63.7 | 86.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | E544 A548 | E544-G546 PolarHBondContact O-N 2.85Å; G546-A548 PolarHBondContact O-N 3.24Å | ||
| 547 | A | 24.6 | Very low | 26.6 | Very low | 97 Ų | 97 | 143.9 Ų | 143.9 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -71.2 | 89.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q545 G549 | Q545-A547 VanDerWaalsContact C-N 3.3Å; Q545-A547 PolarHBondContact O-N 2.9Å; A547-G549 VanDerWaalsContact C-N 3.27Å; A547-G549 PolarHBondContact O-N 3.22Å | ||
| 548 | A | 28.1 | Very low | 26.5 | Very low | 109 Ų | 109 | 144.7 Ų | 144.7 | 90% | 0.901 | 80% | 0.804 | S | S | * | * | trans | -74.6 | 77.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | G546 | G546-A548 PolarHBondContact O-N 3.24Š| ||
| 549 | G | 24.2 | Very low | 26.5 | Very low | 77 Ų | 77 | 139.2 Ų | 139.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | -94.7 | 105.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | A547 | A547-G549 VanDerWaalsContact C-N 3.27Å; A547-G549 PolarHBondContact O-N 3.22Å | ||
| 550 | Y | 26.3 | Very low | 27.4 | Very low | 218 Ų | 218 | 137.1 Ų | 137.1 | 86% | 0.855 | 80% | 0.797 | S | S | * | * | trans | -111.1 | 103.1 | 178 | -155.2 | -85.7 | 0 | 0 | 0 | 109.1 | ||||
| 551 | L | 27.2 | Very low | 27.6 | Very low | 165 Ų | 165 | 137.9 Ų | 137.9 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | -135.4 | 105.3 | 161.6 | -66.4 | 174.8 | 0 | 0 | 0 | 104.2 | ||||
| 552 | D | 24.4 | Very low | 27.7 | Very low | 130 Ų | 130 | 134.7 Ų | 134.7 | 70% | 0.695 | 80% | 0.804 | S | S | * | * | 75.4 | 121.8 | 60.1 | -163.6 | 25.2 | 0 | 0 | 0 | 112 | |||||
| 553 | A | 27.2 | Very low | 27.7 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 79% | 0.793 | 80% | 0.804 | S | S | * | * | trans | -166.4 | 109.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 554 | E | 26.2 | Very low | 27.7 | Very low | 185 Ų | 185 | 131.4 Ų | 131.4 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | trans | -81.3 | 171.5 | -174.2 | -87.5 | -156.9 | 137.9 | 0 | 0 | 115.6 | ||||
| 555 | E | 25.8 | Very low | 27.7 | Very low | 157 Ų | 157 | 130.2 Ų | 130.2 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -53 | 136.6 | 177.8 | -78.1 | -155.1 | 104.5 | 0 | 0 | 116.5 | ||||
| 556 | M | 25.4 | Very low | 27.6 | Very low | 153 Ų | 153 | 125 Ų | 125 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | 85.8 | -177.5 | 105 | -69.1 | -70.4 | 177.7 | 0 | 0 | 115.2 | |||||
| 557 | P | 45.3 | Very low | 27.7 | Very low | 108 Ų | 108 | 128.6 Ų | 128.6 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | cis | -126 | 177.5 | -18 | 15 | 9.3 | 0 | 0 | 0 | 114.1 | ||||
| 558 | T | 25.7 | Very low | 27.8 | Very low | 141 Ų | 141 | 132.1 Ų | 132.1 | 87% | 0.865 | 80% | 0.799 | S | S | * | * | trans | -155.1 | 113 | 133.3 | -70.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 559 | G | 25.7 | Very low | 27.8 | Very low | 58 Ų | 58 | 134.1 Ų | 134.1 | 60% | 0.598 | 79% | 0.789 | S | S | * | * | trans | -96 | 168.6 | 158 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 560 | P | 41.3 | Very low | 28 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | -125.2 | 137.8 | 73.4 | 4.2 | 19 | 0 | 0 | 0 | 112.6 | |||||
| 561 | S | 28.9 | Very low | 27.9 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | 78.2 | 113.7 | 69 | 85.5 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 562 | G | 27.2 | Very low | 27.8 | Very low | 84 Ų | 84 | 129.5 Ų | 129.5 | 87% | 0.866 | 78% | 0.777 | S | S | * | * | trans | -167.9 | 75.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 563 | E | 26.7 | Very low | 27.8 | Very low | 194 Ų | 194 | 126.7 Ų | 126.7 | 91% | 0.907 | 77% | 0.772 | S | S | * | * | trans | -73.9 | 168.1 | 177.2 | -71.4 | 178.7 | 115.5 | 0 | 0 | 112.9 | ||||
| 564 | C | 25 | Very low | 27.6 | Very low | 101 Ų | 101 | 131.8 Ų | 131.8 | 68% | 0.682 | 78% | 0.776 | S | S | * | * | cis | -176.7 | 167.9 | -31.9 | -164.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 565 | L | 26.4 | Very low | 27.5 | Very low | 170 Ų | 170 | 126.9 Ų | 126.9 | 89% | 0.89 | 76% | 0.763 | S | S | * | * | trans | 67.8 | 150.8 | 168.9 | -49.1 | 173.5 | 0 | 0 | 0 | 116.3 | ||||
| 566 | G | 22.8 | Very low | 27.3 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 77% | 0.769 | S | S | * | * | cis | 171.5 | -153.5 | -2.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 567 | V | 28.3 | Very low | 27.7 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 92% | 0.921 | 77% | 0.768 | S | S | * | * | trans | 87.5 | 150.7 | 177.1 | -170 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 568 | E | 26.3 | Very low | 26.7 | Very low | 172 Ų | 172 | 128.3 Ų | 128.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -121 | -177.8 | -158.3 | -59.5 | 168.7 | 85.3 | 0 | 0 | 113.8 | ||||
| 569 | E | 27.3 | Very low | 26.6 | Very low | 150 Ų | 150 | 127.6 Ų | 127.6 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | 86.3 | 130.2 | 147.8 | -74.7 | -157 | 95.6 | 0 | 0 | 123.4 | ||||
| 570 | Q | 28.2 | Very low | 27.6 | Very low | 167 Ų | 167 | 130.4 Ų | 130.4 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 50.7 | 139.6 | 142.8 | -64.7 | -162.6 | 55.3 | 0 | 0 | 120.6 | ||||
| 571 | A | 25 | Very low | 26.7 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 60% | 0.595 | 78% | 0.78 | S | S | * | * | cis | 173.4 | 170.2 | -1.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 572 | S | 24.5 | Very low | 26.4 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | 68.7 | 164.7 | 163.9 | 80.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 573 | A | 23.9 | Very low | 26.2 | Very low | 71 Ų | 71 | 131.2 Ų | 131.2 | 59% | 0.587 | 78% | 0.777 | S | S | * | * | cis | -171 | 149.6 | -48 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 574 | F | 24.3 | Very low | 26.2 | Very low | 202 Ų | 202 | 130.7 Ų | 130.7 | 89% | 0.886 | 78% | 0.775 | S | S | * | * | trans | 64.7 | 155.9 | 168.7 | -59.7 | -68 | 0 | 0 | 0 | 116.1 | ||||
| 575 | S | 22.6 | Very low | 26.3 | Very low | 83 Ų | 83 | 134 Ų | 134 | 58% | 0.58 | 79% | 0.785 | S | S | * | * | cis | -170.5 | 132.4 | -16.4 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 576 | F | 22.8 | Very low | 26.3 | Very low | 198 Ų | 198 | 134.1 Ų | 134.1 | 87% | 0.868 | 78% | 0.781 | S | S | * | * | trans | 56.8 | 177.9 | 155.5 | -55.2 | -55.5 | 0 | 0 | 0 | 118.2 | ||||
| 577 | P | 33.2 | Very low | 26.5 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -125.1 | 166.3 | -15.1 | 23.5 | -0.6 | 0 | 0 | 0 | 116.1 | ||||
| 578 | V | 25.3 | Very low | 26.3 | Very low | 138 Ų | 138 | 136.4 Ų | 136.4 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | trans | 30.5 | 135.1 | 139.9 | -166.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 579 | T | 23.8 | Very low | 26.4 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 79% | 0.794 | S | S | * | * | trans | -62.1 | -171.1 | 168.1 | 17.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 580 | P | 44.9 | Very low | 26.5 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | cis | -132.9 | 171.9 | -22.8 | 33.6 | -16.3 | 0 | 0 | 0 | 114.6 | ||||
| 581 | A | 23.6 | Very low | 26.5 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -169 | 135.5 | 142 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 582 | S | 23.3 | Very low | 26.8 | Very low | 125 Ų | 125 | 136 Ų | 136 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | 33 | 153.6 | 148.3 | -140.6 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 583 | C | 22.9 | Very low | 26.9 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 78% | 0.784 | 81% | 0.809 | S | S | * | * | trans | -84.7 | 149.5 | -179.1 | -49.1 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 584 | Q | 25.8 | Very low | 27.2 | Very low | 183 Ų | 183 | 138.3 Ų | 138.3 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | -169 | 157.1 | 113.5 | -104.7 | -171.9 | 36.6 | 0 | 0 | 111.7 | |||||
| 585 | L | 26.5 | Very low | 27.6 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -131.4 | 139.1 | 164.7 | -111.1 | 172.9 | 0 | 0 | 0 | 108.5 | ||||
| 586 | Q | 26.9 | Very low | 28 | Very low | 173 Ų | 173 | 137.6 Ų | 137.6 | 81% | 0.808 | 81% | 0.813 | S | S | * | * | trans | -89.9 | 153.1 | -167 | -60.3 | 165.6 | -63.3 | 0 | 0 | 113.2 | ||||
| 587 | L | 26.1 | Very low | 28.4 | Very low | 183 Ų | 183 | 135.4 Ų | 135.4 | 96% | 0.958 | 81% | 0.806 | S | S | * | * | trans | -165.2 | 132.2 | 143.4 | -128.8 | 76.4 | 0 | 0 | 0 | 106.8 | ||||
| 588 | G | 26.1 | Very low | 28 | Very low | 82 Ų | 82 | 137.5 Ų | 137.5 | 85% | 0.845 | 81% | 0.81 | S | S | * | * | cis | 157.5 | 116.3 | -8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 589 | G | 26.8 | Very low | 27.9 | Very low | 85 Ų | 85 | 134.4 Ų | 134.4 | 88% | 0.876 | 81% | 0.806 | S | S | * | * | trans | 159.8 | 127.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 590 | E | 29.2 | Very low | 28 | Very low | 186 Ų | 186 | 133.5 Ų | 133.5 | 87% | 0.869 | 81% | 0.812 | S | S | * | * | trans | -105.7 | 142.3 | -176.6 | -73.7 | 171.7 | 51.3 | 0 | 0 | 114.3 | ||||
| 591 | K | 29.3 | Very low | 27.2 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 83% | 0.83 | 81% | 0.811 | S | S | * | * | trans | 159.2 | 123.7 | 130.6 | -87 | 173 | 179.3 | -175 | 0 | 108.7 | ||||
| 592 | A | 31.8 | Very low | 27.5 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | 67.3 | 129.4 | 63.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 593 | D | 26.6 | Very low | 27.7 | Very low | 150 Ų | 150 | 133.6 Ų | 133.6 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | cis | -159.8 | 168.7 | 17.7 | -156.2 | -4.3 | 0 | 0 | 0 | 113.4 | ||||
| 594 | S | 29.4 | Very low | 27.9 | Very low | 95 Ų | 95 | 132.9 Ų | 132.9 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | trans | 56.2 | 127.9 | 159.9 | 55.5 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 595 | S | 32.1 | Very low | 27.9 | Very low | 98 Ų | 98 | 131 Ų | 131 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | 62.3 | 144.5 | 79 | -77.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 596 | E | 31.7 | Very low | 27.9 | Very low | 172 Ų | 172 | 130.6 Ų | 130.6 | 80% | 0.804 | 78% | 0.782 | S | S | * | * | cis | -168.5 | 167.1 | 3.4 | -115.5 | 155.6 | -117.6 | 0 | 0 | 107.2 | ||||
| 597 | E | 31.1 | Very low | 28 | Very low | 151 Ų | 151 | 126.5 Ų | 126.5 | 71% | 0.706 | 77% | 0.769 | S | S | * | * | cis | -162.1 | -163.2 | -3.7 | -152.3 | -97 | -73.3 | 0 | 0 | 107.6 | ||||
| 598 | L | 25.1 | Very low | 28.1 | Very low | 156 Ų | 156 | 126.4 Ų | 126.4 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | trans | 82.2 | 142.6 | 167.9 | -47.1 | 172.9 | 0 | 0 | 0 | 116.7 | ||||
| 599 | G | 24.1 | Very low | 28.1 | Very low | 73 Ų | 73 | 128 Ų | 128 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | cis | -172.6 | 174.5 | -2.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 600 | A | 25.8 | Very low | 28 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 88% | 0.884 | 75% | 0.754 | S | S | * | * | trans | -82.8 | -178.9 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 601 | A | 27.9 | Very low | 28 | Very low | 92 Ų | 92 | 123.5 Ų | 123.5 | 76% | 0.76 | 75% | 0.748 | S | S | * | * | cis | -164.2 | -176.2 | 18.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 602 | A | 29.3 | Very low | 27.8 | Very low | 82 Ų | 82 | 123.7 Ų | 123.7 | 68% | 0.678 | 75% | 0.749 | S | S | * | * | trans | 71.6 | 151.5 | 155.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 603 | E | 27.6 | Very low | 27.7 | Very low | 169 Ų | 169 | 126.7 Ų | 126.7 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | cis | -167.6 | -179 | -13.9 | -114.1 | 159.5 | -112.2 | 0 | 0 | 108 | ||||
| 604 | T | 26.6 | Very low | 27.7 | Very low | 102 Ų | 102 | 126.8 Ų | 126.8 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | cis | -161.6 | 157.8 | 10.9 | -1.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 605 | L | 27.1 | Very low | 27.6 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | trans | 55.8 | 128.9 | 155 | -89.8 | 76.2 | 0 | 0 | 0 | 120.4 | ||||
| 606 | E | 25.9 | Very low | 27.8 | Very low | 162 Ų | 162 | 128 Ų | 128 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | 75.8 | 146.3 | 72.5 | -75.6 | -150.1 | -128.8 | 0 | 0 | 115.4 | |||||
| 607 | T | 28.1 | Very low | 28 | Very low | 87 Ų | 87 | 125.7 Ų | 125.7 | 53% | 0.534 | 76% | 0.755 | S | S | . | * | cis | -171.2 | 165.1 | -2.7 | -104.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 608 | Q | 27.9 | Very low | 27.8 | Very low | 180 Ų | 180 | 121.5 Ų | 121.5 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | trans | 68 | 165.9 | 167.4 | -82.4 | 164.3 | 74.8 | 0 | 0 | 118.4 | ||||
| 609 | S | 27.4 | Very low | 28 | Very low | 115 Ų | 115 | 120.9 Ų | 120.9 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | cis | 178.2 | 143.9 | -43.3 | -94.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 610 | G | 24.7 | Very low | 28.4 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 76% | 0.757 | S | S | * | * | trans | 129.7 | 100.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 611 | S | 27.8 | Very low | 28.5 | Very low | 106 Ų | 106 | 130.4 Ų | 130.4 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | trans | 44.9 | 121 | 139.2 | 60.6 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 612 | F | 25.1 | Very low | 28.7 | Very low | 195 Ų | 195 | 131.8 Ų | 131.8 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | trans | 36.4 | 128 | 130.2 | -67.4 | -88.7 | 0 | 0 | 0 | 120.7 | ||||
| 613 | L | 29.8 | Very low | 28.7 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 81% | 0.806 | 76% | 0.762 | S | S | * | * | -166.6 | 142.3 | 70.3 | -94.4 | 175.7 | 0 | 0 | 0 | 115.4 | |||||
| 614 | D | 26.8 | Very low | 28.7 | Very low | 152 Ų | 152 | 134 Ų | 134 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 68.3 | 167.6 | 146.1 | -122.2 | -31.2 | 0 | 0 | 0 | 125 | ||||
| 615 | S | 27.6 | Very low | 28.9 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | trans | -76.4 | 175.5 | -163.7 | -101.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 616 | P | 37.3 | Very low | 28.9 | Very low | 122 Ų | 122 | 139 Ų | 139 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | cis | -133.3 | 168.8 | 24.8 | 41 | -23.4 | 0 | 0 | 0 | 119.1 | ||||
| 617 | V | 34.2 | Very low | 29 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -71 | 133.9 | 176.1 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 618 | G | 26.7 | Very low | 29.1 | Very low | 64 Ų | 64 | 140.2 Ų | 140.2 | 66% | 0.66 | 78% | 0.782 | S | S | * | * | trans | -125 | 109.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q620 | G618-Q620 PolarHBondContact O-N 2.7Š| ||
| 619 | N | 30.6 | Very low | 29 | Very low | 143 Ų | 143 | 139.8 Ų | 139.8 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -70.5 | 122.2 | 178.4 | -70.8 | -25.4 | 0 | 0 | 0 | 111.1 | ||||
| 620 | Q | 31.2 | Very low | 29.2 | Very low | 190 Ų | 190 | 139 Ų | 139 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | -127.3 | 103 | 170.5 | -71.6 | -172 | 87.3 | 0 | 0 | 110.6 | G618 | G618-Q620 PolarHBondContact O-N 2.7Š| ||
| 621 | F | 29.3 | Very low | 29.4 | Very low | 190 Ų | 190 | 141.2 Ų | 141.2 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | -80.5 | 137.1 | 164.1 | -74.4 | -91.3 | 0 | 0 | 0 | 109.4 | T623 | F621-T623 PolarHBondContact O-N 2.8Š| ||
| 622 | P | 32.2 | Very low | 29.5 | Very low | 120 Ų | 120 | 143.8 Ų | 143.8 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -74 | 123.5 | 178 | 28.7 | -33.5 | 0 | 0 | 0 | 111.8 | L624 | P622-L624 PolarHBondContact O-N 3.27Š| ||
| 623 | T | 28.1 | Very low | 29.7 | Very low | 134 Ų | 134 | 140.3 Ų | 140.3 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | -69.2 | 107.1 | 177.7 | -55.9 | 0 | 0 | 0 | 0 | 111.7 | F621 I625 | F621-T623 PolarHBondContact O-N 2.8Å; T623-I625 PolarHBondContact O-N 2.82Å | ||
| 624 | L | 27.6 | Very low | 29.6 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -79.2 | 102.3 | 174.2 | -101.9 | 165.3 | 0 | 0 | 0 | 111.5 | P622 R626 | P622-L624 PolarHBondContact O-N 3.27Å; L624-R626 PolarHBondContact O-N 2.98Å | ||
| 625 | I | 31.5 | Very low | 29.8 | Very low | 143 Ų | 143 | 141.4 Ų | 141.4 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -67.3 | 119 | 171.4 | -61.7 | 175 | 0 | 0 | 0 | 109 | T623 S627 | T623-I625 PolarHBondContact O-N 2.82Å; I625-S627 PolarHBondContact O-N 3.45Å | ||
| 626 | R | 27.8 | Very low | 29.7 | Very low | 205 Ų | 205 | 145.3 Ų | 145.3 | 77% | 0.774 | 78% | 0.782 | S | S | * | * | trans | -92 | 72 | -175.4 | -163.5 | -178.5 | -167.4 | 179.2 | 5.4 | 112.3 | L624 F628 | L624-R626 PolarHBondContact O-N 2.98Å; R626-F628 HydrophobicContact CG-CD2 4.26Å; R626-F628 HydrophobicContact CG-CE2 4.33Å; R626-F628 VanDerWaalsContact NE-CE2 3.26Å; R626-F628 PolarHBondContact O-N 3.44Å; R626-F628 VanDerWaalsContact O-N 3.13Å | ||
| 627 | S | 27 | Very low | 29.4 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -69.7 | 100.7 | 171 | 39 | 0 | 0 | 0 | 0 | 111.4 | I625 | I625-S627 PolarHBondContact O-N 3.45Š| ||
| 628 | F | 30.1 | Very low | 28.9 | Very low | 165 Ų | 165 | 144.9 Ų | 144.9 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | trans | -93.6 | 99.9 | 166.5 | -91.6 | -55.4 | 0 | 0 | 0 | 110.5 | R626 | R626-F628 HydrophobicContact CG-CD2 4.26Å; R626-F628 HydrophobicContact CG-CE2 4.33Å; R626-F628 VanDerWaalsContact NE-CE2 3.26Å; R626-F628 PolarHBondContact O-N 3.44Å; R626-F628 VanDerWaalsContact O-N 3.13Å | ||
| 629 | Q | 27.1 | Very low | 29 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | trans | -104.9 | 115.2 | 159.1 | -170.6 | 169.2 | 4.7 | 0 | 0 | 107.8 | ||||
| 630 | P | 30.3 | Very low | 28.9 | Very low | 97 Ų | 97 | 147.6 Ų | 147.6 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 141.9 | 177.6 | 29 | -33.5 | 0 | 0 | 0 | 110.1 | L632 | P630-L632 PolarHBondContact O-N 3.46Š|
| 631 | P | 29.7 | Very low | 28.7 | Very low | 118 Ų | 118 | 143.5 Ų | 143.5 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 122.5 | 177.6 | 27.7 | -33.5 | 0 | 0 | 0 | 110.4 | V633 | P631-V633 PolarHBondContact O-N 2.89Š|
| 632 | L | 29.4 | Very low | 28.6 | Very low | 160 Ų | 160 | 142.2 Ų | 142.2 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 116.3 | 171.1 | -88.1 | 74.8 | 0 | 0 | 0 | 109.7 | P630 | P630-L632 PolarHBondContact O-N 3.46Š|
| 633 | V | 29.5 | Very low | 28.5 | Very low | 123 Ų | 123 | 143.1 Ų | 143.1 | 75% | 0.745 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -104 | 119.2 | 165.1 | -179.2 | 0 | 0 | 0 | 0 | 107.3 | P631 T635 | P631-V633 PolarHBondContact O-N 2.89Å; V633-T635 PolarHBondContact O-N 3.45Å; V633-T635 VanDerWaalsContact O-N 3.13Å |
| 634 | K | 27.5 | Very low | 28.6 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -70.9 | 105.1 | -179.1 | -70.3 | -169.7 | 174.6 | -168.5 | 0 | 110.8 | ||||
| 635 | T | 31.2 | Very low | 28.7 | Very low | 125 Ų | 125 | 142 Ų | 142 | 77% | 0.767 | 78% | 0.781 | S | S | * | * | trans | -75.8 | 119 | 163.8 | 46.7 | 0 | 0 | 0 | 0 | 109.6 | V633 T637 | V633-T635 PolarHBondContact O-N 3.45Å; V633-T635 VanDerWaalsContact O-N 3.13Å; T635-T637 PolarHBondContact O-N 3.4Å | ||
| 636 | Q | 25.5 | Very low | 28.6 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 83% | 0.827 | 78% | 0.784 | S | S | * | * | trans | -90.2 | 103.3 | -177.9 | -171.3 | 173.7 | 19 | 0 | 0 | 111.5 | V638 | Q636-V638 PolarHBondContact O-N 2.93Š| ||
| 637 | T | 30.5 | Very low | 28.6 | Very low | 121 Ų | 121 | 136.8 Ų | 136.8 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | trans | -70.1 | 123.4 | 170.1 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | T635 | T635-T637 PolarHBondContact O-N 3.4Š| ||
| 638 | V | 24.5 | Very low | 28.9 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | trans | -102.6 | 96.3 | 176.1 | -179.1 | 0 | 0 | 0 | 0 | 109.4 | Q636 | Q636-V638 PolarHBondContact O-N 2.93Š| ||
| 639 | T | 29 | Very low | 28.8 | Very low | 110 Ų | 110 | 137.4 Ų | 137.4 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | trans | -80.2 | 126.9 | 173.7 | -53 | 0 | 0 | 0 | 0 | 110 | ||||
| 640 | I | 28.3 | Very low | 28.9 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -101.7 | 106.6 | 168.3 | -58.7 | 177.2 | 0 | 0 | 0 | 107.2 | ||||
| 641 | S | 26.8 | Very low | 28.8 | Very low | 104 Ų | 104 | 139.3 Ų | 139.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -81.2 | 129.3 | 177.2 | -53.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 642 | D | 26.6 | Very low | 29.4 | Very low | 162 Ų | 162 | 139 Ų | 139 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | trans | -119.9 | 127.5 | 170.8 | -146.7 | -11.6 | 0 | 0 | 0 | 108.4 | ||||
| 643 | T | 30.4 | Very low | 29.3 | Very low | 140 Ų | 140 | 137.8 Ų | 137.8 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | trans | -100.1 | 106.3 | -163.1 | 20.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 644 | A | 29.8 | Very low | 29.3 | Very low | 100 Ų | 100 | 141 Ų | 141 | 83% | 0.826 | 80% | 0.797 | S | S | * | * | trans | -138 | 123.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 645 | N | 29.7 | Very low | 29.6 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | trans | -78.9 | 132.4 | 177.9 | -72.4 | -51.9 | 0 | 0 | 0 | 111.9 | ||||
| 646 | A | 29.8 | Very low | 29.5 | Very low | 97 Ų | 97 | 138.8 Ų | 138.8 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | -149.6 | 77.8 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 647 | V | 28.7 | Very low | 29.6 | Very low | 142 Ų | 142 | 136 Ų | 136 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | 20.4 | 129.4 | 147.7 | -174.4 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 648 | K | 33.5 | Very low | 29.6 | Very low | 166 Ų | 166 | 136.5 Ų | 136.5 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | trans | -43.5 | 148 | 167.5 | -74.2 | -172.3 | 161 | -146.2 | 0 | 114.8 | E650 | K648-E650 IonicContact NZ-OE2 2.64Å; K648-E650 PolarHBondContact NZ-OE2 3.42Å | ||
| 649 | S | 27.8 | Very low | 29.7 | Very low | 124 Ų | 124 | 136.6 Ų | 136.6 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -149.9 | 116.1 | 138.4 | -160.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 650 | E | 28.3 | Very low | 29.7 | Very low | 139 Ų | 139 | 137.6 Ų | 137.6 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | -97.8 | 147.3 | 167.6 | -63.9 | 162.2 | 93.6 | 0 | 0 | 108.4 | K648 | K648-E650 IonicContact NZ-OE2 2.64Å; K648-E650 PolarHBondContact NZ-OE2 3.42Å | ||
| 651 | I | 28.4 | Very low | 29.5 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 86% | 0.862 | 78% | 0.782 | S | S | * | * | trans | 175.9 | 142.7 | 138.6 | -95.4 | 158 | 0 | 0 | 0 | 109.8 | ||||
| 652 | P | 41.3 | Very low | 29.6 | Very low | 112 Ų | 112 | 137.4 Ų | 137.4 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | -106.8 | 168.6 | -157 | 40.3 | -36.3 | 0 | 0 | 0 | 115.1 | ||||
| 653 | T | 28.2 | Very low | 29.8 | Very low | 134 Ų | 134 | 134 Ų | 134 | 82% | 0.822 | 76% | 0.763 | S | S | * | * | trans | -144.3 | 104.4 | 166.3 | 19.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 654 | K | 29.8 | Very low | 29.7 | Very low | 190 Ų | 190 | 133.5 Ų | 133.5 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | trans | 54.6 | 133.6 | 137.2 | -66.2 | -170.8 | 173.1 | -173.4 | 0 | 121.5 | ||||
| 655 | D | 32.5 | Very low | 29.8 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -53.2 | 141.6 | 172.1 | -43 | -94.3 | 0 | 0 | 0 | 114.1 | ||||
| 656 | V | 29.7 | Very low | 29.7 | Very low | 123 Ų | 123 | 129.5 Ų | 129.5 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | trans | -126.4 | 131.6 | 162 | 179.8 | 0 | 0 | 0 | 0 | 105.9 | I658 | V656-I658 PolarHBondContact O-N 3.04Š| ||
| 657 | P | 28 | Very low | 29.8 | Very low | 117 Ų | 117 | 129.1 Ų | 129.1 | 76% | 0.76 | 70% | 0.704 | S | S | * | * | trans | -63.3 | 127.3 | -168.8 | 23.5 | -34.2 | 0 | 0 | 0 | 112.4 | V659 | P657-V659 PolarHBondContact O-N 3.08Š| ||
| 658 | I | 31.5 | Very low | 29.6 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 68% | 0.682 | 70% | 0.699 | S | S | * | * | trans | -67.5 | 114.2 | 178 | -60.1 | 174.1 | 0 | 0 | 0 | 108.9 | V656 H660 | V656-I658 PolarHBondContact O-N 3.04Å; I658-H660 PolarHBondContact O-N 3.41Å | ||
| 659 | V | 26.6 | Very low | 29.7 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 72% | 0.721 | 70% | 0.703 | S | S | * | * | trans | -76.1 | 107.7 | 173.3 | 178.8 | 0 | 0 | 0 | 0 | 108.4 | P657 T661 | P657-V659 PolarHBondContact O-N 3.08Å; V659-T661 HydrophobicContact CG1-CG2 4.47Å; V659-T661 PolarHBondContact O-N 2.9Å | ||
| 660 | H | 27.6 | Very low | 29.7 | Very low | 131 Ų | 131 | 130.7 Ų | 130.7 | 61% | 0.606 | 70% | 0.701 | S | S | * | * | trans | -65 | 121 | 178.2 | -139.1 | 75.3 | 0 | 0 | 0 | 110.3 | I658 | I658-H660 PolarHBondContact O-N 3.41Š| ||
| 661 | T | 25.4 | Very low | 30 | Very low | 114 Ų | 114 | 128.7 Ų | 128.7 | 70% | 0.699 | 71% | 0.708 | S | S | * | * | trans | -117 | 89.9 | -176.7 | 45 | 0 | 0 | 0 | 0 | 111.8 | V659 T663 | V659-T661 HydrophobicContact CG1-CG2 4.47Å; V659-T661 PolarHBondContact O-N 2.9Å; T661-T663 PolarHBondContact O-N 2.97Å | ||
| 662 | E | 28.5 | Very low | 30.1 | Very low | 139 Ų | 139 | 130 Ų | 130 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | trans | -66.1 | 114.7 | 173.2 | -66.5 | -176.5 | -177.6 | 0 | 0 | 111.5 | K664 | E662-K664 WeakPolarHBondContact OE2-CE 3.15Å; E662-K664 IonicContact OE2-NZ 3.4Å; E662-K664 PolarHBondContact OE2-NZ 3.38Å | ||
| 663 | T | 30.3 | Very low | 29.8 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 55% | 0.552 | 71% | 0.713 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 114.9 | 169.6 | -60 | 0 | 0 | 0 | 0 | 109.5 | T661 | T661-T663 PolarHBondContact O-N 2.97Å |
| 664 | K | 28.5 | Very low | 30.3 | Very low | 131 Ų | 131 | 133 Ų | 133 | 57% | 0.57 | 72% | 0.715 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 99.7 | -178.6 | -72.8 | 174.7 | -177.7 | 162.2 | 0 | 110.8 | E662 | E662-K664 WeakPolarHBondContact OE2-CE 3.15Å; E662-K664 IonicContact OE2-NZ 3.4Å; E662-K664 PolarHBondContact OE2-NZ 3.38Å |
| 665 | T | 31.1 | Very low | 30.8 | Very low | 87 Ų | 87 | 130.9 Ų | 130.9 | 53% | 0.534 | 71% | 0.713 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -91 | 126.3 | 173 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | ||
| 666 | I | 28.7 | Very low | 30.9 | Very low | 102 Ų | 102 | 127 Ų | 127 | 52% | 0.523 | 70% | 0.698 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -116 | 120.9 | 177.4 | -53.4 | 176.3 | 0 | 0 | 0 | 107.7 | Y668 | I666-Y668 HydrophobicContact CB-CE2 4.4Å; I666-Y668 HydrophobicContact CG2-CD2 4.17Å; I666-Y668 HydrophobicContact CG2-CE1 4.34Å; I666-Y668 HydrophobicContact CG2-CE2 3.53Å |
| 667 | T | 31.1 | Very low | 31.3 | Very low | 90 Ų | 90 | 128.6 Ų | 128.6 | 55% | 0.552 | 70% | 0.702 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.1 | 178.2 | -53.2 | 0 | 0 | 0 | 0 | 109 | ||
| 668 | Y | 25.3 | Very low | 31.6 | Very low | 192 Ų | 192 | 126.1 Ų | 126.1 | 75% | 0.753 | 70% | 0.698 | S | S | * | * | trans | -111.2 | 128.7 | 171.5 | -62.6 | -83.6 | 0 | 0 | 0 | 108.8 | I666 | I666-Y668 HydrophobicContact CB-CE2 4.4Å; I666-Y668 HydrophobicContact CG2-CD2 4.17Å; I666-Y668 HydrophobicContact CG2-CE1 4.34Å; I666-Y668 HydrophobicContact CG2-CE2 3.53Å | ||
| 669 | E | 35.6 | Very low | 31.9 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | trans | -135.6 | 138.3 | 169.8 | -171.7 | 164.2 | -144.2 | 0 | 0 | 107 | ||||
| 670 | A | 27.8 | Very low | 32.7 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 83% | 0.826 | 71% | 0.708 | S | S | * | * | trans | -135.6 | 126.4 | -172.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 671 | A | 34.4 | Very low | 33.4 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | trans | -96.4 | 146.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 672 | Q | 30.8 | Very low | 34.7 | Very low | 196 Ų | 196 | 126.6 Ų | 126.6 | 92% | 0.916 | 70% | 0.704 | S | S | * | * | trans | -105.7 | 147.3 | 161.4 | -71.1 | -173.2 | -13.4 | 0 | 0 | 109.6 | ||||
| 673 | T | 35.3 | Very low | 36.1 | Very low | 126 Ų | 126 | 120.5 Ų | 120.5 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | trans | -86.1 | -178.2 | 172.9 | 50.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 674 | E | 37.6 | Very low | 37.5 | Very low | 182 Ų | 182 | 120.6 Ų | 120.6 | 85% | 0.85 | 68% | 0.679 | S | S | * | * | cis | -144.1 | 153.6 | 9.3 | -65.2 | 170.3 | -151.9 | 0 | 0 | 106.6 | ||||
| 675 | D | 40.8 | Very low | 39.1 | Very low | 147 Ų | 147 | 118.6 Ų | 118.6 | 79% | 0.786 | 67% | 0.674 | S | S | * | * | cis | -156.4 | -162.5 | -18.8 | -164 | 24.8 | 0 | 0 | 0 | 104.2 | ||||
| 676 | S | 35.6 | Very low | 40.5 | Very low | 80 Ų | 80 | 118.7 Ų | 118.7 | 56% | 0.559 | 67% | 0.67 | S | S | * | * | cis | -162.8 | 167.4 | 3.5 | -147.5 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 677 | N | 36.5 | Very low | 42.1 | Very low | 155 Ų | 155 | 116.9 Ų | 116.9 | 83% | 0.829 | 66% | 0.664 | S | S | * | * | cis | -153.8 | -155.4 | 4.6 | -160.8 | -93.5 | 0 | 0 | 0 | 107.6 | ||||
| 678 | G | 34.6 | Very low | 43.9 | Very low | 65 Ų | 65 | 114.4 Ų | 114.4 | 67% | 0.67 | 65% | 0.653 | S | S | * | * | trans | 111.5 | 34.1 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 679 | D | 37.3 | Very low | 45.6 | Very low | 147 Ų | 147 | 108.1 Ų | 108.1 | 79% | 0.786 | 63% | 0.63 | S | S | * | * | S | Bend | trans | 39.9 | 88.2 | 167.6 | -167.8 | 24.2 | 0 | 0 | 0 | 118.5 | ||
| 680 | L | 43.4 | Very low | 47 | Very low | 156 Ų | 156 | 102.8 Ų | 102.8 | 82% | 0.817 | 61% | 0.61 | S | S | * | * | -162.5 | 60.9 | 128.9 | -109.3 | 178.1 | 0 | 0 | 0 | 109.6 | P682 | L680-P682 VanDerWaalsContact O-CD 3.31Å; L680-P682 WeakPolarHBondContact O-CD 3.5Å; L680-P682 VanDerWaalsContact O-N 3.14Å | |||
| 681 | D | 43.7 | Very low | 48.9 | Very low | 89 Ų | 89 | 100.4 Ų | 100.4 | 48% | 0.476 | 58% | 0.582 | S | S | . | * | trans | -51.9 | 113.4 | -165.9 | 176.7 | 45.6 | 0 | 0 | 0 | 114.2 | G683 K709 | D681-G683 PolarHBondContact O-N 2.91Å; D681-K709 PolarHBondContact O-NZ 2.86Å | ||
| 682 | P | 52 | Low | 50.2 | Low | 115 Ų | 115 | 99 Ų | 99 | 75% | 0.747 | 56% | 0.564 | S | S | * | * | trans | -82.8 | 91.7 | 175.5 | 33.2 | -30.4 | 0 | 0 | 0 | 109.4 | L680 V684 | L680-P682 VanDerWaalsContact O-CD 3.31Å; L680-P682 WeakPolarHBondContact O-CD 3.5Å; L680-P682 VanDerWaalsContact O-N 3.14Å; P682-V684 PolarHBondContact O-N 2.6Å | ||
| 683 | G | 57.3 | Low | 51.6 | Low | 12 Ų | 12 | 92 Ų | 92 | 12% | 0.124 | 54% | 0.536 | C | S | . | . | trans | -44.8 | 128.7 | -170 | 0 | 0 | 0 | 0 | 0 | 114.7 | D681 L685 T707 V708 | D681-G683 PolarHBondContact O-N 2.91Å; G683-L685 PolarHBondContact O-N 2.84Å; G683-T707 WeakPolarHBondContact O-CB 3.42Å; G683-T707 WeakPolarHBondContact O-CG2 3.37Å; G683-V708 CarbonylContact C-O 3.21Å; G683-V708 VanDerWaalsContact C-O 3.24Å; G683-V708 VanDerWaalsContact CA-O 3.23Å; G683-V708 WeakPolarHBondContact CA-O 3.38Å | ||
| 684 | V | 61.2 | Low | 52.7 | Low | 92 Ų | 92 | 92.8 Ų | 92.8 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | trans | -46.7 | 118.8 | -166.3 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | P682 L686 T707 V708 | P682-V684 PolarHBondContact O-N 2.6Å; V684-L686 PolarHBondContact O-N 2.83Å; V684-T707 CarbonylContact O-C 3.55Å; V684-T707 VanDerWaalsContact O-CA 3.28Å; V684-T707 WeakPolarHBondContact O-CA 3.48Å; V684-V708 PolarHBondContact N-O 2.86Å; V684-V708 PolarHBondContact O-N 2.81Å | ||
| 685 | L | 60.7 | Low | 53.8 | Low | 89 Ų | 89 | 87.9 Ų | 87.9 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 116.8 | 175.5 | -172 | 152.1 | 0 | 0 | 0 | 109.5 | G683 A688 T705 T707 | G683-L685 PolarHBondContact O-N 2.84Å; L685-A688 HydrophobicContact CD2-CB 4.22Å; L685-T705 HydrophobicContact CD1-CG2 3.69Å; L685-T705 HydrophobicContact CG-CG2 4.1Å; L685-T707 HydrophobicContact CB-CG2 4.43Å |
| 686 | L | 61.3 | Low | 54.4 | Low | 88 Ų | 88 | 86.8 Ų | 86.8 | 46% | 0.461 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -43.1 | 178.1 | -65.7 | -173.7 | 0 | 0 | 0 | 112.3 | V684 K706 V708 | V684-L686 PolarHBondContact O-N 2.83Å; L686-K706 HydrophobicContact CD1-CD 4.39Å; L686-K706 HydrophobicContact CD1-CG 4.4Å; L686-K706 PolarHBondContact N-O 3.09Å; L686-V708 HydrophobicContact CD1-CG2 3.53Å; L686-V708 HydrophobicContact CD2-CG2 4.3Å; L686-V708 HydrophobicContact CG-CG2 3.91Å |
| 687 | T | 63.1 | Low | 55.3 | Low | 64 Ų | 64 | 85.3 Ų | 85.3 | 39% | 0.393 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 135.8 | -175.4 | 57.4 | 0 | 0 | 0 | 0 | 110.6 | K706 | T687-K706 PolarHBondContact N-O 3.46Å; T687-K706 PolarHBondContact O-N 3.4Å; T687-K706 WeakPolarHBondContact OG1-CB 3.38Å |
| 688 | A | 67 | Low | 56.6 | Low | 38 Ų | 38 | 79 Ų | 79 | 31% | 0.314 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 127.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | L685 I704 | L685-A688 HydrophobicContact CD2-CB 4.22Å; A688-I704 WeakPolarHBondContact CA-O 3.43Å |
| 689 | Q | 61.7 | Low | 58.4 | Low | 60 Ų | 60 | 77.9 Ų | 77.9 | 28% | 0.28 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 134.2 | 178 | -178.2 | -179 | -0.9 | 0 | 0 | 109.1 | I691 Q703 I704 | Q689-I691 HydrophobicContact CG-CG1 4.19Å; Q689-Q703 WeakPolarHBondContact O-CA 3.36Å; Q689-I704 HydrophobicContact CB-CB 4.43Å; Q689-I704 PolarHBondContact N-O 3.4Å; Q689-I704 PolarHBondContact O-N 3.43Å |
| 690 | T | 64.9 | Low | 59.9 | Low | 61 Ų | 61 | 71.8 Ų | 71.8 | 37% | 0.374 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.8 | 171.4 | -59.2 | 0 | 0 | 0 | 0 | 109.4 | T692 T701 T702 Q703 | T690-T692 HydrophobicContact CG2-CG2 4.39Å; T690-T701 HydrophobicContact CG2-CG2 3.87Å; T690-T702 CarbonylContact C-O 3.48Å; T690-T702 WeakPolarHBondContact CA-O 2.99Å; T690-Q703 HydrophobicContact CG2-CG 4.15Å |
| 691 | I | 67.5 | Low | 61.4 | Low | 49 Ų | 49 | 65.9 Ų | 65.9 | 25% | 0.251 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 114.3 | 178.6 | -51.9 | 175.4 | 0 | 0 | 0 | 107.5 | Q689 T701 T702 I704 | Q689-I691 HydrophobicContact CG-CG1 4.19Å; I691-T701 WeakPolarHBondContact O-CA 3.48Å; I691-T702 PolarHBondContact N-O 2.94Å; I691-T702 PolarHBondContact O-N 3.19Å; I691-I704 HydrophobicContact CD1-CD1 4.22Å |
| 692 | T | 61.5 | Low | 62.8 | Low | 69 Ų | 69 | 62.1 Ų | 62.1 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 129.5 | 174.8 | 46.6 | 0 | 0 | 0 | 0 | 109.9 | T690 T700 T701 | T690-T692 HydrophobicContact CG2-CG2 4.39Å; T692-T700 CarbonylContact C-O 3.59Å; T692-T700 WeakPolarHBondContact CA-O 3.5Å; T692-T701 HydrophobicContact CG2-CG2 4.02Å |
| 693 | S | 61.1 | Low | 63.7 | Low | 47 Ų | 47 | 61.1 Ų | 61.1 | 33% | 0.329 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 119.7 | 176.2 | 57.7 | 0 | 0 | 0 | 0 | 109.7 | T700 | S693-T700 PolarHBondContact N-O 2.89Å; S693-T700 PolarHBondContact O-N 2.98Å; S693-T700 WeakPolarHBondContact OG-CB 3.31Å |
| 694 | E | 58.1 | Low | 64.5 | Low | 144 Ų | 144 | 62 Ų | 62 | 67% | 0.673 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 138.8 | -178.7 | -71 | 168.7 | -173.4 | 0 | 0 | 110.2 | T699 | E694-T699 HydrophobicContact CG-CG2 3.9Å |
| 695 | T | 60.1 | Low | 65.1 | Low | 79 Ų | 79 | 59.4 Ų | 59.4 | 49% | 0.485 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 156 | 176.2 | -61 | 0 | 0 | 0 | 0 | 107.6 | S697 S698 | T695-S697 PolarHBondContact O-N 3.31Å; T695-S698 PolarHBondContact N-O 2.73Å; T695-S698 PolarHBondContact O-N 3.43Å; T695-S698 VanDerWaalsContact O-O 3.09Å |
| 696 | T | 54.3 | Low | 65.7 | Low | 123 Ų | 123 | 58.5 Ų | 58.5 | 76% | 0.755 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50 | -21.5 | -172.2 | -36.5 | 0 | 0 | 0 | 0 | 115.6 | ||
| 697 | S | 53.4 | Low | 66.4 | Low | 50 Ų | 50 | 55.9 Ų | 55.9 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.6 | 5.3 | 177.6 | 57.7 | 0 | 0 | 0 | 0 | 115.3 | T695 T724 | T695-S697 PolarHBondContact O-N 3.31Å; S697-T724 CarbonylContact C-O 3.52Å; S697-T724 VanDerWaalsContact CA-O 3.3Å; S697-T724 WeakPolarHBondContact CA-O 3.38Å; S697-T724 PolarHBondContact O-N 2.94Å |
| 698 | S | 64.9 | Low | 66.5 | Low | 21 Ų | 21 | 54.8 Ų | 54.8 | 15% | 0.147 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.8 | 148.1 | 175.2 | 60.7 | 0 | 0 | 0 | 0 | 115.1 | T695 V722 | T695-S698 PolarHBondContact N-O 2.73Å; T695-S698 PolarHBondContact O-N 3.43Å; T695-S698 VanDerWaalsContact O-O 3.09Å; S698-V722 CarbonylContact C-O 3.54Å; S698-V722 WeakPolarHBondContact CA-O 3.38Å; S698-V722 VanDerWaalsContact CB-O 3.31Å; S698-V722 WeakPolarHBondContact CB-O 3.35Å |
| 699 | T | 72.2 | Confident | 66.7 | Low | 43 Ų | 43 | 58.1 Ų | 58.1 | 26% | 0.264 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 117.5 | 173 | -60.7 | 0 | 0 | 0 | 0 | 109.8 | E694 V722 | E694-T699 HydrophobicContact CG-CG2 3.9Å; T699-V722 PolarHBondContact N-O 3.18Å; T699-V722 PolarHBondContact O-N 3.35Å |
| 700 | T | 69.3 | Low | 66.7 | Low | 18 Ų | 18 | 59.3 Ų | 59.3 | 11% | 0.11 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 129.2 | 177.3 | -71.7 | 0 | 0 | 0 | 0 | 110.6 | T692 S693 K719 I721 | T692-T700 CarbonylContact C-O 3.59Å; T692-T700 WeakPolarHBondContact CA-O 3.5Å; S693-T700 PolarHBondContact N-O 2.89Å; S693-T700 PolarHBondContact O-N 2.98Å; S693-T700 WeakPolarHBondContact OG-CB 3.31Å; T700-K719 HydrophobicContact CG2-CD 4.39Å; T700-K719 HydrophobicContact CG2-CG 4.19Å; T700-I721 HydrophobicContact CG2-CD1 4.49Å; T700-I721 HydrophobicContact CG2-CG1 4.09Å |
| 701 | T | 74.1 | Confident | 66.4 | Low | 32 Ų | 32 | 59.9 Ų | 59.9 | 20% | 0.196 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 114.1 | 177 | -58 | 0 | 0 | 0 | 0 | 109.6 | T690 I691 T692 K719 R720 | T690-T701 HydrophobicContact CG2-CG2 3.87Å; I691-T701 WeakPolarHBondContact O-CA 3.48Å; T692-T701 HydrophobicContact CG2-CG2 4.02Å; T701-K719 WeakPolarHBondContact O-CA 3.27Å; T701-R720 PolarHBondContact N-O 2.72Å; T701-R720 PolarHBondContact O-N 2.9Å |
| 702 | T | 72.5 | Confident | 65.6 | Low | 11 Ų | 11 | 63.8 Ų | 63.8 | 7% | 0.067 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 116.7 | 177.9 | -48.8 | 0 | 0 | 0 | 0 | 109.7 | T690 I691 I704 I717 K719 | T690-T702 CarbonylContact C-O 3.48Å; T690-T702 WeakPolarHBondContact CA-O 2.99Å; I691-T702 PolarHBondContact N-O 2.94Å; I691-T702 PolarHBondContact O-N 3.19Å; T702-I704 HydrophobicContact CG2-CG1 4.27Å; T702-I717 HydrophobicContact CG2-CG2 3.51Å; T702-K719 HydrophobicContact CG2-CB 4.35Å; T702-K719 HydrophobicContact CG2-CG 4.45Å; T702-K719 WeakPolarHBondContact OG1-CG 3.28Å |
| 703 | Q | 72.7 | Confident | 65.7 | Low | 93 Ų | 93 | 63.3 Ų | 63.3 | 44% | 0.435 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 123 | 172.7 | -64.9 | -174.3 | -9.9 | 0 | 0 | 109.5 | Q689 T690 I717 E718 | Q689-Q703 WeakPolarHBondContact O-CA 3.36Å; T690-Q703 HydrophobicContact CG2-CG 4.15Å; Q703-I717 CarbonylContact O-C 3.24Å; Q703-I717 WeakPolarHBondContact O-CA 3.29Å; Q703-E718 PolarHBondContact N-O 3.48Å; Q703-E718 PolarHBondContact O-N 3.25Å |
| 704 | I | 73.8 | Confident | 66 | Low | 30 Ų | 30 | 67 Ų | 67 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 117.2 | 176.9 | -55.7 | 177.8 | 0 | 0 | 0 | 107.3 | A688 Q689 I691 T702 T715 R716 I717 | A688-I704 WeakPolarHBondContact CA-O 3.43Å; Q689-I704 HydrophobicContact CB-CB 4.43Å; Q689-I704 PolarHBondContact N-O 3.4Å; Q689-I704 PolarHBondContact O-N 3.43Å; I691-I704 HydrophobicContact CD1-CD1 4.22Å; T702-I704 HydrophobicContact CG2-CG1 4.27Å; I704-T715 HydrophobicContact CG2-CG2 4.11Å; I704-R716 WeakPolarHBondContact CA-O 3.42Å; I704-I717 HydrophobicContact CB-CG1 4.46Å; I704-I717 HydrophobicContact CD1-CD1 4.23Å; I704-I717 HydrophobicContact CG1-CD1 4.08Å; I704-I717 HydrophobicContact CG1-CG1 4.02Å; I704-I717 HydrophobicContact CG1-CG2 4.15Å; I704-I717 HydrophobicContact CG2-CD1 4.48Å; I704-I717 HydrophobicContact CG2-CG1 4.18Å |
| 705 | T | 74 | Confident | 66.6 | Low | 39 Ų | 39 | 63.4 Ų | 63.4 | 24% | 0.239 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 125 | 179.7 | -54.9 | 0 | 0 | 0 | 0 | 109.3 | L685 T707 R716 | L685-T705 HydrophobicContact CD1-CG2 3.69Å; L685-T705 HydrophobicContact CG-CG2 4.1Å; T705-T707 HydrophobicContact CG2-CG2 4.35Å; T705-R716 PolarHBondContact N-O 2.9Å; T705-R716 PolarHBondContact O-N 2.91Å |
| 706 | K | 72.3 | Confident | 67.2 | Low | 69 Ų | 69 | 67 Ų | 67 | 30% | 0.3 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 125.2 | 174.6 | -170.6 | 170.4 | -177.2 | 170.9 | 0 | 110.1 | L686 T687 S713 E714 | L686-K706 HydrophobicContact CD1-CD 4.39Å; L686-K706 HydrophobicContact CD1-CG 4.4Å; L686-K706 PolarHBondContact N-O 3.09Å; T687-K706 PolarHBondContact N-O 3.46Å; T687-K706 PolarHBondContact O-N 3.4Å; T687-K706 WeakPolarHBondContact OG1-CB 3.38Å; K706-S713 VanDerWaalsContact CE-CB 3.41Å; K706-S713 VanDerWaalsContact CE-OG 3.23Å; K706-S713 WeakPolarHBondContact CE-OG 3.49Å; K706-S713 PolarHBondContact NZ-OG 3.26Å; K706-E714 WeakPolarHBondContact CA-O 3.34Å; K706-E714 WeakPolarHBondContact CG-O 3.49Å |
| 707 | T | 75.2 | Confident | 67.9 | Low | 33 Ų | 33 | 63.2 Ų | 63.2 | 20% | 0.202 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 159 | 177.7 | 50.3 | 0 | 0 | 0 | 0 | 110.2 | G683 V684 L685 T705 S713 E714 | G683-T707 WeakPolarHBondContact O-CB 3.42Å; G683-T707 WeakPolarHBondContact O-CG2 3.37Å; V684-T707 CarbonylContact O-C 3.55Å; V684-T707 VanDerWaalsContact O-CA 3.28Å; V684-T707 WeakPolarHBondContact O-CA 3.48Å; L685-T707 HydrophobicContact CB-CG2 4.43Å; T705-T707 HydrophobicContact CG2-CG2 4.35Å; T707-S713 CarbonylContact O-C 3.49Å; T707-S713 VanDerWaalsContact O-CA 3.31Å; T707-S713 WeakPolarHBondContact O-CA 3.43Å; T707-E714 PolarHBondContact N-O 2.91Å; T707-E714 PolarHBondContact O-N 2.9Å |
| 708 | V | 67.1 | Low | 68.9 | Low | 41 Ų | 41 | 65.3 Ų | 65.3 | 25% | 0.248 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.3 | 167.8 | 169.8 | 0 | 0 | 0 | 0 | 109.5 | G683 V684 L686 I712 | G683-V708 CarbonylContact C-O 3.21Å; G683-V708 VanDerWaalsContact C-O 3.24Å; G683-V708 VanDerWaalsContact CA-O 3.23Å; G683-V708 WeakPolarHBondContact CA-O 3.38Å; V684-V708 PolarHBondContact N-O 2.86Å; V684-V708 PolarHBondContact O-N 2.81Å; L686-V708 HydrophobicContact CD1-CG2 3.53Å; L686-V708 HydrophobicContact CD2-CG2 4.3Å; L686-V708 HydrophobicContact CG-CG2 3.91Å; V708-I712 WeakPolarHBondContact CA-O 3.43Å |
| 709 | K | 69.4 | Low | 69.1 | Low | 109 Ų | 109 | 66.9 Ų | 66.9 | 47% | 0.474 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 125.6 | 172.8 | -169.8 | 156.7 | -176.7 | 160.4 | 0 | 109.3 | D681 G711 I712 | D681-K709 PolarHBondContact O-NZ 2.86Å; K709-G711 PolarHBondContact O-N 3.37Å; K709-I712 PolarHBondContact N-O 3.03Å; K709-I712 PolarHBondContact O-N 3.34Å |
| 710 | G | 63.5 | Low | 69.2 | Low | 84 Ų | 84 | 73 Ų | 73 | 87% | 0.866 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.3 | 27.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | I712 | G710-I712 VanDerWaalsContact C-N 3.29Å; G710-I712 PolarHBondContact O-N 2.82Å |
| 711 | G | 58.3 | Low | 69.1 | Low | 73 Ų | 73 | 74.9 Ų | 74.9 | 75% | 0.753 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.8 | -4.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | K709 | K709-G711 PolarHBondContact O-N 3.37Š|
| 712 | I | 50.3 | Low | 68.9 | Low | 132 Ų | 132 | 76.7 Ų | 76.7 | 68% | 0.677 | 41% | 0.413 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 132.2 | 172.3 | -57.7 | 175 | 0 | 0 | 0 | 108.3 | V708 K709 G710 | V708-I712 WeakPolarHBondContact CA-O 3.43Å; K709-I712 PolarHBondContact N-O 3.03Å; K709-I712 PolarHBondContact O-N 3.34Å; G710-I712 VanDerWaalsContact C-N 3.29Å; G710-I712 PolarHBondContact O-N 2.82Å |
| 713 | S | 62.3 | Low | 68.6 | Low | 58 Ų | 58 | 78.9 Ų | 78.9 | 41% | 0.406 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 111.5 | 175.6 | 78.6 | 0 | 0 | 0 | 0 | 111.6 | K706 T707 | K706-S713 VanDerWaalsContact CE-CB 3.41Å; K706-S713 VanDerWaalsContact CE-OG 3.23Å; K706-S713 WeakPolarHBondContact CE-OG 3.49Å; K706-S713 PolarHBondContact NZ-OG 3.26Å; T707-S713 CarbonylContact O-C 3.49Å; T707-S713 VanDerWaalsContact O-CA 3.31Å; T707-S713 WeakPolarHBondContact O-CA 3.43Å |
| 714 | E | 68.6 | Low | 68.2 | Low | 126 Ų | 126 | 78.2 Ų | 78.2 | 59% | 0.589 | 43% | 0.426 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 140.5 | 174.2 | -172.8 | 177.7 | 176.3 | 0 | 0 | 109.7 | K706 T707 | K706-E714 WeakPolarHBondContact CA-O 3.34Å; K706-E714 WeakPolarHBondContact CG-O 3.49Å; T707-E714 PolarHBondContact N-O 2.91Å; T707-E714 PolarHBondContact O-N 2.9Å |
| 715 | T | 71.3 | Confident | 67.5 | Low | 67 Ų | 67 | 79.4 Ų | 79.4 | 41% | 0.411 | 45% | 0.446 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 110.7 | 175.5 | -55.4 | 0 | 0 | 0 | 0 | 109.1 | I704 | I704-T715 HydrophobicContact CG2-CG2 4.11Å |
| 716 | R | 70.9 | Confident | 66.6 | Low | 155 Ų | 155 | 85 Ų | 85 | 59% | 0.585 | 47% | 0.474 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 132.5 | 177 | -179.8 | -176 | 177.9 | 116.1 | -5.7 | 109.1 | I704 T705 E718 | I704-R716 WeakPolarHBondContact CA-O 3.42Å; T705-R716 PolarHBondContact N-O 2.9Å; T705-R716 PolarHBondContact O-N 2.91Å; R716-E718 IonicContact CZ-OE2 2.58Å; R716-E718 IonicContact NE-OE2 3.89Å; R716-E718 PolarHBondContact NE-OE2 2.86Å; R716-E718 IonicContact NH2-OE2 2.6Å; R716-E718 PolarHBondContact NH2-OE2 3.46Å |
| 717 | I | 70.4 | Confident | 65.6 | Low | 43 Ų | 43 | 86 Ų | 86 | 22% | 0.221 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.5 | 168.3 | -54.6 | -170.3 | 0 | 0 | 0 | 108.6 | T702 Q703 I704 M749 | T702-I717 HydrophobicContact CG2-CG2 3.51Å; Q703-I717 CarbonylContact O-C 3.24Å; Q703-I717 WeakPolarHBondContact O-CA 3.29Å; I704-I717 HydrophobicContact CB-CG1 4.46Å; I704-I717 HydrophobicContact CD1-CD1 4.23Å; I704-I717 HydrophobicContact CG1-CD1 4.08Å; I704-I717 HydrophobicContact CG1-CG1 4.02Å; I704-I717 HydrophobicContact CG1-CG2 4.15Å; I704-I717 HydrophobicContact CG2-CD1 4.48Å; I704-I717 HydrophobicContact CG2-CG1 4.18Å; I717-M749 HydrophobicContact CB-CE 4.07Å; I717-M749 HydrophobicContact CD1-CE 4.13Å; I717-M749 HydrophobicContact CD1-SD 3.63Å; I717-M749 HydrophobicContact CG1-CE 3.92Å; I717-M749 HydrophobicContact CG1-SD 4.11Å |
| 718 | E | 74 | Confident | 64.7 | Low | 94 Ų | 94 | 92.5 Ų | 92.5 | 44% | 0.439 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 109.5 | 177.1 | -170.3 | 162.2 | 145.5 | 0 | 0 | 109.2 | Q703 R716 | Q703-E718 PolarHBondContact N-O 3.48Å; Q703-E718 PolarHBondContact O-N 3.25Å; R716-E718 IonicContact CZ-OE2 2.58Å; R716-E718 IonicContact NE-OE2 3.89Å; R716-E718 PolarHBondContact NE-OE2 2.86Å; R716-E718 IonicContact NH2-OE2 2.6Å; R716-E718 PolarHBondContact NH2-OE2 3.46Å |
| 719 | K | 69.4 | Low | 64.6 | Low | 54 Ų | 54 | 93.2 Ų | 93.2 | 24% | 0.235 | 53% | 0.53 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 107 | -176.4 | -169.1 | 169.1 | -176.2 | -172.1 | 0 | 109.8 | T700 T701 T702 I721 A742 | T700-K719 HydrophobicContact CG2-CD 4.39Å; T700-K719 HydrophobicContact CG2-CG 4.19Å; T701-K719 WeakPolarHBondContact O-CA 3.27Å; T702-K719 HydrophobicContact CG2-CB 4.35Å; T702-K719 HydrophobicContact CG2-CG 4.45Å; T702-K719 WeakPolarHBondContact OG1-CG 3.28Å; K719-I721 HydrophobicContact CD-CD1 4.36Å; K719-I721 HydrophobicContact CG-CD1 4.23Å; K719-I721 HydrophobicContact CG-CG1 4.19Å; K719-A742 HydrophobicContact CD-CB 3.87Å |
| 720 | R | 74 | Confident | 64.5 | Low | 173 Ų | 173 | 91.7 Ų | 91.7 | 65% | 0.653 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 135.6 | 171 | 177.4 | -177.1 | -66.2 | -125.3 | -0.6 | 108.7 | T701 V722 | T701-R720 PolarHBondContact N-O 2.72Å; T701-R720 PolarHBondContact O-N 2.9Å; R720-V722 HydrophobicContact CG-CG2 4.24Å |
| 721 | I | 66.8 | Low | 64.6 | Low | 56 Ų | 56 | 93.5 Ų | 93.5 | 29% | 0.287 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 123 | 176.5 | -57.7 | 177.6 | 0 | 0 | 0 | 106.7 | T700 K719 I723 A738 | T700-I721 HydrophobicContact CG2-CD1 4.49Å; T700-I721 HydrophobicContact CG2-CG1 4.09Å; K719-I721 HydrophobicContact CD-CD1 4.36Å; K719-I721 HydrophobicContact CG-CD1 4.23Å; K719-I721 HydrophobicContact CG-CG1 4.19Å; I721-I723 HydrophobicContact CG2-CG1 4.48Å; I721-A738 HydrophobicContact CD1-CB 3.68Å |
| 722 | V | 69.8 | Low | 65 | Low | 70 Ų | 70 | 95.8 Ų | 95.8 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 117.7 | 177.9 | -174.1 | 0 | 0 | 0 | 0 | 106.7 | S698 T699 R720 T724 | S698-V722 CarbonylContact C-O 3.54Å; S698-V722 WeakPolarHBondContact CA-O 3.38Å; S698-V722 VanDerWaalsContact CB-O 3.31Å; S698-V722 WeakPolarHBondContact CB-O 3.35Å; T699-V722 PolarHBondContact N-O 3.18Å; T699-V722 PolarHBondContact O-N 3.35Å; R720-V722 HydrophobicContact CG-CG2 4.24Å; V722-T724 HydrophobicContact CG1-CG2 4.15Å |
| 723 | I | 66.8 | Low | 66 | Low | 57 Ų | 57 | 96 Ų | 96 | 29% | 0.292 | 51% | 0.506 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 131.1 | 178.4 | -56.2 | 162.1 | 0 | 0 | 0 | 107 | I721 V734 | I721-I723 HydrophobicContact CG2-CG1 4.48Å; I723-V734 HydrophobicContact CD1-CB 4.01Å; I723-V734 HydrophobicContact CD1-CG1 3.46Å; I723-V734 VanDerWaalsContact CD1-CG1 3.46Å; I723-V734 HydrophobicContact CG1-CG1 3.84Å; I723-V734 HydrophobicContact CG2-CG1 4.4Å |
| 724 | T | 65 | Low | 66.3 | Low | 79 Ų | 79 | 95.3 Ų | 95.3 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | trans | -136.7 | 108 | -177.5 | 51.9 | 0 | 0 | 0 | 0 | 108.7 | S697 V722 | S697-T724 CarbonylContact C-O 3.52Å; S697-T724 VanDerWaalsContact CA-O 3.3Å; S697-T724 WeakPolarHBondContact CA-O 3.38Å; S697-T724 PolarHBondContact O-N 2.94Å; V722-T724 HydrophobicContact CG1-CG2 4.15Å | ||
| 725 | G | 58.7 | Low | 66.2 | Low | 56 Ų | 56 | 92 Ų | 92 | 58% | 0.577 | 49% | 0.486 | S | S | * | . | trans | -169.5 | 156.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 726 | D | 54.6 | Low | 66.3 | Low | 156 Ų | 156 | 93.6 Ų | 93.6 | 83% | 0.834 | 50% | 0.495 | S | S | * | . | trans | -64.6 | 178.2 | 175.7 | -82.2 | -66.7 | 0 | 0 | 0 | 113.2 | ||||
| 727 | A | 52.2 | Low | 66.3 | Low | 89 Ų | 89 | 89.9 Ų | 89.9 | 74% | 0.736 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -50.6 | 156.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 728 | D | 56.3 | Low | 66.2 | Low | 170 Ų | 170 | 88.3 Ų | 88.3 | 91% | 0.909 | 48% | 0.478 | S | S | * | . | S | Bend | trans | 76.5 | 20.3 | 180 | -54.5 | -19.8 | 0 | 0 | 0 | 117 | ||
| 729 | I | 63.7 | Low | 65.8 | Low | 56 Ų | 56 | 87 Ų | 87 | 29% | 0.287 | 47% | 0.473 | S | S | . | . | trans | -90.7 | 125.5 | 167.6 | -59.9 | 178.9 | 0 | 0 | 0 | 111.8 | H731 V734 | I729-H731 PolarHBondContact O-N 2.84Å; I729-H731 PolarHBondContact O-ND1 3.29Å; I729-H731 VanDerWaalsContact O-ND1 3.09Å; I729-V734 HydrophobicContact CG2-CG2 3.75Å | ||
| 730 | D | 68.3 | Low | 66.1 | Low | 78 Ų | 78 | 89.8 Ų | 89.8 | 42% | 0.417 | 49% | 0.485 | S | S | . | . | trans | -76.9 | 98.5 | 169.5 | -176.2 | -26.1 | 0 | 0 | 0 | 110.5 | D732 Q733 V734 | D730-D732 VanDerWaalsContact C-N 3.29Å; D730-D732 PolarHBondContact O-N 3.29Å; D730-D732 PolarHBondContact OD1-N 3.39Å; D730-D732 VanDerWaalsContact OD1-N 3.07Å; D730-Q733 HydrophobicContact CB-CB 4.09Å; D730-Q733 HydrophobicContact CB-CG 4.36Å; D730-Q733 PolarHBondContact O-N 2.86Å; D730-Q733 PolarHBondContact OD1-N 3.11Å; D730-Q733 WeakPolarHBondContact OD2-CG 3.45Å; D730-Q733 PolarHBondContact OD2-NE2 3.09Å; D730-V734 WeakPolarHBondContact O-CG2 3.29Å; D730-V734 PolarHBondContact O-N 3.02Å; D730-V734 VanDerWaalsContact O-N 3.08Å | ||
| 731 | H | 65.3 | Low | 65.8 | Low | 121 Ų | 121 | 85.4 Ų | 85.4 | 56% | 0.56 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.7 | -34.3 | -177.6 | -65 | 82.8 | 0 | 0 | 0 | 113.3 | I729 V734 L735 | I729-H731 PolarHBondContact O-N 2.84Å; I729-H731 PolarHBondContact O-ND1 3.29Å; I729-H731 VanDerWaalsContact O-ND1 3.09Å; H731-V734 PolarHBondContact O-N 3.15Å; H731-L735 WeakPolarHBondContact O-CB 3.45Å; H731-L735 PolarHBondContact O-N 3.33Å |
| 732 | D | 67.3 | Low | 65.7 | Low | 122 Ų | 122 | 84.1 Ų | 84.1 | 65% | 0.652 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -73.1 | -40.3 | -179.8 | -76.9 | -26.9 | 0 | 0 | 0 | 110.6 | D730 L735 V736 | D730-D732 VanDerWaalsContact C-N 3.29Å; D730-D732 PolarHBondContact O-N 3.29Å; D730-D732 PolarHBondContact OD1-N 3.39Å; D730-D732 VanDerWaalsContact OD1-N 3.07Å; D732-L735 PolarHBondContact O-N 3.3Å; D732-V736 WeakPolarHBondContact O-CB 3.23Å; D732-V736 VanDerWaalsContact O-CG2 3.26Å; D732-V736 WeakPolarHBondContact O-CG2 3.37Å; D732-V736 PolarHBondContact O-N 3.43Å |
| 733 | Q | 70.9 | Confident | 65.4 | Low | 135 Ų | 135 | 86.1 Ų | 86.1 | 63% | 0.631 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.4 | -42.9 | 172 | -79.9 | -172.4 | 76.2 | 0 | 0 | 112.3 | D730 V736 Q737 | D730-Q733 HydrophobicContact CB-CB 4.09Å; D730-Q733 HydrophobicContact CB-CG 4.36Å; D730-Q733 PolarHBondContact O-N 2.86Å; D730-Q733 PolarHBondContact OD1-N 3.11Å; D730-Q733 WeakPolarHBondContact OD2-CG 3.45Å; D730-Q733 PolarHBondContact OD2-NE2 3.09Å; Q733-V736 PolarHBondContact O-N 2.89Å; Q733-Q737 WeakPolarHBondContact O-CB 3.26Å; Q733-Q737 PolarHBondContact O-N 2.89Å |
| 734 | V | 67.4 | Low | 65.6 | Low | 45 Ų | 45 | 90.1 Ų | 90.1 | 27% | 0.273 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.2 | -41.6 | 177.5 | -179.1 | 0 | 0 | 0 | 0 | 110.9 | I723 I729 D730 H731 Q737 A738 | I723-V734 HydrophobicContact CD1-CB 4.01Å; I723-V734 HydrophobicContact CD1-CG1 3.46Å; I723-V734 VanDerWaalsContact CD1-CG1 3.46Å; I723-V734 HydrophobicContact CG1-CG1 3.84Å; I723-V734 HydrophobicContact CG2-CG1 4.4Å; I729-V734 HydrophobicContact CG2-CG2 3.75Å; D730-V734 WeakPolarHBondContact O-CG2 3.29Å; D730-V734 PolarHBondContact O-N 3.02Å; D730-V734 VanDerWaalsContact O-N 3.08Å; H731-V734 PolarHBondContact O-N 3.15Å; V734-Q737 PolarHBondContact O-N 2.58Å; V734-A738 WeakPolarHBondContact O-CB 3.34Å; V734-A738 PolarHBondContact O-N 3.07Å |
| 735 | L | 67.8 | Low | 65.2 | Low | 57 Ų | 57 | 91.8 Ų | 91.8 | 30% | 0.298 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 175.8 | -179 | 59.8 | 0 | 0 | 0 | 112.4 | H731 D732 A738 I739 V756 | H731-L735 WeakPolarHBondContact O-CB 3.45Å; H731-L735 PolarHBondContact O-N 3.33Å; D732-L735 PolarHBondContact O-N 3.3Å; L735-A738 PolarHBondContact O-N 3.18Å; L735-I739 HydrophobicContact CD1-CD1 3.97Å; L735-I739 HydrophobicContact CD1-CG1 4.33Å; L735-I739 HydrophobicContact CG-CD1 4.01Å; L735-I739 WeakPolarHBondContact O-CB 3.47Å; L735-I739 VanDerWaalsContact O-CG1 3.29Å; L735-I739 WeakPolarHBondContact O-CG1 3.27Å; L735-I739 PolarHBondContact O-N 2.99Å; L735-V756 HydrophobicContact CD2-CG2 4.02Å |
| 736 | V | 73.4 | Confident | 65.3 | Low | 99 Ų | 99 | 92.1 Ų | 92.1 | 60% | 0.6 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.1 | -44.9 | 176.5 | 166.8 | 0 | 0 | 0 | 0 | 111.4 | D732 Q733 I739 K740 | D732-V736 WeakPolarHBondContact O-CB 3.23Å; D732-V736 VanDerWaalsContact O-CG2 3.26Å; D732-V736 WeakPolarHBondContact O-CG2 3.37Å; D732-V736 PolarHBondContact O-N 3.43Å; Q733-V736 PolarHBondContact O-N 2.89Å; V736-I739 PolarHBondContact O-N 2.88Å; V736-K740 WeakPolarHBondContact O-CB 3.31Å; V736-K740 PolarHBondContact O-N 3.35Å |
| 737 | Q | 70.8 | Confident | 65.8 | Low | 78 Ų | 78 | 89.3 Ų | 89.3 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.9 | -42.5 | 177.2 | 178.8 | 60.6 | 18.8 | 0 | 0 | 111.3 | Q733 V734 I739 K740 E741 | Q733-Q737 WeakPolarHBondContact O-CB 3.26Å; Q733-Q737 PolarHBondContact O-N 2.89Å; V734-Q737 PolarHBondContact O-N 2.58Å; Q737-I739 PolarHBondContact O-N 3.5Å; Q737-K740 WeakPolarHBondContact O-CB 3.36Å; Q737-K740 PolarHBondContact O-N 3.43Å; Q737-E741 WeakPolarHBondContact CG-OE1 3.3Å; Q737-E741 PolarHBondContact NE2-OE1 3.26Å; Q737-E741 WeakPolarHBondContact O-CG 3.23Å; Q737-E741 PolarHBondContact O-N 3.13Å |
| 738 | A | 66.9 | Low | 66 | Low | 10 Ų | 10 | 92.9 Ų | 92.9 | 8% | 0.083 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | I721 V734 L735 A742 | I721-A738 HydrophobicContact CD1-CB 3.68Å; V734-A738 WeakPolarHBondContact O-CB 3.34Å; V734-A738 PolarHBondContact O-N 3.07Å; L735-A738 PolarHBondContact O-N 3.18Å; A738-A742 WeakPolarHBondContact O-CB 3.21Å; A738-A742 PolarHBondContact O-N 2.88Å; A738-A742 VanDerWaalsContact O-N 3.09Å |
| 739 | I | 67.3 | Low | 66.3 | Low | 65 Ų | 65 | 88.6 Ų | 88.6 | 33% | 0.333 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -67.7 | -39.9 | 174.4 | -70 | 167.4 | 0 | 0 | 0 | 110.9 | L735 V736 Q737 A742 K743 | L735-I739 HydrophobicContact CD1-CD1 3.97Å; L735-I739 HydrophobicContact CD1-CG1 4.33Å; L735-I739 HydrophobicContact CG-CD1 4.01Å; L735-I739 WeakPolarHBondContact O-CB 3.47Å; L735-I739 VanDerWaalsContact O-CG1 3.29Å; L735-I739 WeakPolarHBondContact O-CG1 3.27Å; L735-I739 PolarHBondContact O-N 2.99Å; V736-I739 PolarHBondContact O-N 2.88Å; Q737-I739 PolarHBondContact O-N 3.5Å; I739-A742 PolarHBondContact O-N 2.96Å; I739-K743 WeakPolarHBondContact O-CG 3.46Å; I739-K743 PolarHBondContact O-N 3.05Å; I739-K743 VanDerWaalsContact O-N 3.09Å |
| 740 | K | 75.1 | Confident | 66.1 | Low | 114 Ų | 114 | 90.6 Ų | 90.6 | 50% | 0.496 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -49.8 | 176.9 | 178.3 | -173.4 | 162.5 | -158.3 | 0 | 111.4 | V736 Q737 A742 K743 E744 | V736-K740 WeakPolarHBondContact O-CB 3.31Å; V736-K740 PolarHBondContact O-N 3.35Å; Q737-K740 WeakPolarHBondContact O-CB 3.36Å; Q737-K740 PolarHBondContact O-N 3.43Å; K740-A742 VanDerWaalsContact C-N 3.32Å; K740-A742 PolarHBondContact O-N 3.4Å; K740-K743 PolarHBondContact O-N 3.35Å; K740-K743 VanDerWaalsContact O-N 3.11Å; K740-E744 WeakPolarHBondContact O-CB 3.43Å; K740-E744 PolarHBondContact O-N 3.49Å |
| 741 | E | 67.6 | Low | 65.9 | Low | 81 Ų | 81 | 91 Ų | 91 | 38% | 0.379 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 176.6 | -72.6 | 173 | -167.3 | 0 | 0 | 112.4 | Q737 K743 E744 Q745 | Q737-E741 WeakPolarHBondContact CG-OE1 3.3Å; Q737-E741 PolarHBondContact NE2-OE1 3.26Å; Q737-E741 WeakPolarHBondContact O-CG 3.23Å; Q737-E741 PolarHBondContact O-N 3.13Å; E741-K743 VanDerWaalsContact C-N 3.31Å; E741-K743 PolarHBondContact O-N 3.42Å; E741-E744 PolarHBondContact O-N 2.58Å; E741-Q745 WeakPolarHBondContact O-CB 3.43Å; E741-Q745 VanDerWaalsContact O-CG 3.29Å; E741-Q745 WeakPolarHBondContact O-CG 3.46Å; E741-Q745 PolarHBondContact O-N 3.33Å |
| 742 | A | 64.3 | Low | 65.7 | Low | 28 Ų | 28 | 91.8 Ų | 91.8 | 23% | 0.231 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -61.8 | -37.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | K719 A738 I739 K740 H746 | K719-A742 HydrophobicContact CD-CB 3.87Å; A738-A742 WeakPolarHBondContact O-CB 3.21Å; A738-A742 PolarHBondContact O-N 2.88Å; A738-A742 VanDerWaalsContact O-N 3.09Å; I739-A742 PolarHBondContact O-N 2.96Å; K740-A742 VanDerWaalsContact C-N 3.32Å; K740-A742 PolarHBondContact O-N 3.4Å; A742-H746 PolarHBondContact O-N 3.1Å |
| 743 | K | 64.8 | Low | 65.3 | Low | 113 Ų | 113 | 93.9 Ų | 93.9 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -78.3 | -29.1 | 175.5 | -69.6 | -171.6 | 69.8 | -178.6 | 0 | 113.4 | I739 K740 E741 H746 P747 V751 | I739-K743 WeakPolarHBondContact O-CG 3.46Å; I739-K743 PolarHBondContact O-N 3.05Å; I739-K743 VanDerWaalsContact O-N 3.09Å; K740-K743 PolarHBondContact O-N 3.35Å; K740-K743 VanDerWaalsContact O-N 3.11Å; E741-K743 VanDerWaalsContact C-N 3.31Å; E741-K743 PolarHBondContact O-N 3.42Å; K743-H746 CarbonylContact O-C 3.54Å; K743-H746 PolarHBondContact O-N 3.34Å; K743-P747 VanDerWaalsContact O-CA 3.26Å; K743-P747 WeakPolarHBondContact O-CA 3.26Å; K743-V751 HydrophobicContact CD-CG2 4.36Å; K743-V751 HydrophobicContact CG-CG2 4.24Å |
| 744 | E | 70.3 | Confident | 64.9 | Low | 141 Ų | 141 | 91.5 Ų | 91.5 | 66% | 0.659 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -72.1 | -34.6 | 175.7 | -169.5 | 164.2 | 179.5 | 0 | 0 | 111.5 | K740 E741 H746 | K740-E744 WeakPolarHBondContact O-CB 3.43Å; K740-E744 PolarHBondContact O-N 3.49Å; E741-E744 PolarHBondContact O-N 2.58Å; E744-H746 VanDerWaalsContact C-N 3.35Å |
| 745 | Q | 56.4 | Low | 64.5 | Low | 114 Ų | 114 | 93.3 Ų | 93.3 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.8 | -29.4 | 171.7 | -72.6 | 171 | -19 | 0 | 0 | 113.3 | E741 | E741-Q745 WeakPolarHBondContact O-CB 3.43Å; E741-Q745 VanDerWaalsContact O-CG 3.29Å; E741-Q745 WeakPolarHBondContact O-CG 3.46Å; E741-Q745 PolarHBondContact O-N 3.33Å |
| 746 | H | 60.8 | Low | 64.3 | Low | 63 Ų | 63 | 95.4 Ų | 95.4 | 29% | 0.292 | 51% | 0.513 | S | S | . | . | trans | -139.3 | 73.1 | -176.3 | -59.9 | -54.9 | 0 | 0 | 0 | 111.9 | A742 K743 E744 D748 M749 | A742-H746 PolarHBondContact O-N 3.1Å; K743-H746 CarbonylContact O-C 3.54Å; K743-H746 PolarHBondContact O-N 3.34Å; E744-H746 VanDerWaalsContact C-N 3.35Å; H746-D748 VanDerWaalsContact C-N 3.31Å; H746-D748 PolarHBondContact O-N 3.37Å; H746-M749 HydrophobicContact CB-CB 4.32Å; H746-M749 HydrophobicContact CB-CG 4.14Å; H746-M749 HydrophobicContact CB-SD 3.86Å; H746-M749 PolarHBondContact O-N 3.43Å | ||
| 747 | P | 65.7 | Low | 63.5 | Low | 97 Ų | 97 | 97.8 Ų | 97.8 | 63% | 0.63 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -28.6 | -170.6 | 25.5 | -35.3 | 0 | 0 | 0 | 114.3 | K743 M749 | K743-P747 VanDerWaalsContact O-CA 3.26Å; K743-P747 WeakPolarHBondContact O-CA 3.26Å; P747-M749 VanDerWaalsContact C-N 3.25Å; P747-M749 PolarHBondContact O-N 3.21Å |
| 748 | D | 56.2 | Low | 62.9 | Low | 164 Ų | 164 | 102 Ų | 102 | 88% | 0.877 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | 5.3 | -177.8 | -55.3 | -56.7 | 0 | 0 | 0 | 113.8 | H746 | H746-D748 VanDerWaalsContact C-N 3.31Å; H746-D748 PolarHBondContact O-N 3.37Å |
| 749 | M | 62.8 | Low | 62.2 | Low | 80 Ų | 80 | 110.4 Ų | 110.4 | 39% | 0.394 | 57% | 0.574 | S | S | . | * | trans | -106.6 | 137.6 | -175.2 | -68.5 | -171.6 | 67.8 | 0 | 0 | 114 | I717 H746 P747 | I717-M749 HydrophobicContact CB-CE 4.07Å; I717-M749 HydrophobicContact CD1-CE 4.13Å; I717-M749 HydrophobicContact CD1-SD 3.63Å; I717-M749 HydrophobicContact CG1-CE 3.92Å; I717-M749 HydrophobicContact CG1-SD 4.11Å; H746-M749 HydrophobicContact CB-CB 4.32Å; H746-M749 HydrophobicContact CB-CG 4.14Å; H746-M749 HydrophobicContact CB-SD 3.86Å; H746-M749 PolarHBondContact O-N 3.43Å; P747-M749 VanDerWaalsContact C-N 3.25Å; P747-M749 PolarHBondContact O-N 3.21Å | ||
| 750 | S | 59.9 | Low | 61.3 | Low | 98 Ų | 98 | 112.1 Ų | 112.1 | 69% | 0.685 | 59% | 0.587 | S | S | * | * | trans | -90.3 | 132.2 | 170.8 | 53 | 0 | 0 | 0 | 0 | 111.5 | T752 | S750-T752 PolarHBondContact O-N 3.22Š| ||
| 751 | V | 62.6 | Low | 59.8 | Low | 87 Ų | 87 | 115.9 Ų | 115.9 | 53% | 0.527 | 61% | 0.607 | S | S | . | * | trans | -79.5 | 110.8 | 175.2 | -179.9 | 0 | 0 | 0 | 0 | 108.7 | K743 V754 | K743-V751 HydrophobicContact CD-CG2 4.36Å; K743-V751 HydrophobicContact CG-CG2 4.24Å; V751-V754 HydrophobicContact CG1-CG2 3.73Å | ||
| 752 | T | 61.2 | Low | 58.5 | Low | 136 Ų | 136 | 118.9 Ų | 118.9 | 83% | 0.834 | 62% | 0.624 | S | S | * | * | trans | -92.7 | -24.1 | -174.3 | 52.3 | 0 | 0 | 0 | 0 | 114.3 | S750 | S750-T752 PolarHBondContact O-N 3.22Š| ||
| 753 | K | 59.7 | Low | 57.3 | Low | 167 Ų | 167 | 122.9 Ų | 122.9 | 73% | 0.726 | 65% | 0.65 | S | S | * | * | trans | -154.2 | 140.7 | 176.8 | -165.5 | -179.9 | -175.1 | -173.6 | 0 | 110.6 | V755 | K753-V755 HydrophobicContact CD-CG2 4.03Å; K753-V755 HydrophobicContact CG-CG2 4.06Å | ||
| 754 | V | 62.2 | Low | 56.3 | Low | 84 Ų | 84 | 126.6 Ų | 126.6 | 51% | 0.509 | 67% | 0.67 | S | S | . | * | trans | -123.1 | 140.4 | 166.4 | -178.3 | 0 | 0 | 0 | 0 | 107.3 | V751 V756 | V751-V754 HydrophobicContact CG1-CG2 3.73Å; V754-V756 HydrophobicContact CG1-CG2 4.44Å | ||
| 755 | V | 58.1 | Low | 54.6 | Low | 84 Ų | 84 | 132.7 Ų | 132.7 | 51% | 0.509 | 70% | 0.698 | S | S | . | * | trans | -138.3 | 121 | 175.1 | -169.1 | 0 | 0 | 0 | 0 | 108.3 | K753 H757 | K753-V755 HydrophobicContact CD-CG2 4.03Å; K753-V755 HydrophobicContact CG-CG2 4.06Å; V755-H757 VanDerWaalsContact CG1-CE1 3.41Å; V755-H757 WeakPolarHBondContact CG1-CE1 3.33Å | ||
| 756 | V | 63.8 | Low | 54.5 | Low | 101 Ų | 101 | 133.7 Ų | 133.7 | 61% | 0.612 | 71% | 0.706 | S | S | * | * | trans | -105.5 | 134.6 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 107.9 | L735 V754 | L735-V756 HydrophobicContact CD2-CG2 4.02Å; V754-V756 HydrophobicContact CG1-CG2 4.44Å | ||
| 757 | H | 58.1 | Low | 54.2 | Low | 149 Ų | 149 | 137.4 Ų | 137.4 | 69% | 0.69 | 73% | 0.728 | S | S | * | * | trans | -119.4 | 131.2 | 169.9 | -59 | 85.5 | 0 | 0 | 0 | 106.9 | V755 | V755-H757 VanDerWaalsContact CG1-CE1 3.41Å; V755-H757 WeakPolarHBondContact CG1-CE1 3.33Å | ||
| 758 | Q | 57 | Low | 53.6 | Low | 165 Ų | 165 | 139.6 Ų | 139.6 | 77% | 0.771 | 73% | 0.734 | S | S | * | * | trans | -109.8 | 117.7 | 175.4 | -171.4 | -179.5 | 13.4 | 0 | 0 | 108 | T760 | Q758-T760 HydrophobicContact CG-CG2 4.14Š| ||
| 759 | E | 52.5 | Low | 53.4 | Low | 188 Ų | 188 | 138.2 Ų | 138.2 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | trans | -107.7 | 99.7 | 177.5 | -67.8 | 178.3 | -174.2 | 0 | 0 | 107.6 | ||||
| 760 | T | 48.9 | Very low | 52.8 | Low | 100 Ų | 100 | 141.8 Ų | 141.8 | 61% | 0.613 | 75% | 0.746 | S | S | * | * | trans | -91.5 | 110.4 | 176.6 | 53.1 | 0 | 0 | 0 | 0 | 109.7 | Q758 I762 | Q758-T760 HydrophobicContact CG-CG2 4.14Å; T760-I762 PolarHBondContact O-N 2.71Å | ||
| 761 | E | 43.4 | Very low | 52.3 | Low | 193 Ų | 193 | 144.7 Ų | 144.7 | 90% | 0.902 | 75% | 0.75 | S | S | * | * | trans | -70.9 | 120.6 | 170.5 | -168.4 | 161.8 | -138.4 | 0 | 0 | 109.3 | ||||
| 762 | I | 39.5 | Very low | 51.6 | Low | 144 Ų | 144 | 148.9 Ų | 148.9 | 74% | 0.738 | 77% | 0.766 | S | S | * | * | trans | -97.2 | 103.7 | -178.1 | -54.3 | 174.9 | 0 | 0 | 0 | 107.9 | T760 E764 | T760-I762 PolarHBondContact O-N 2.71Å; I762-E764 PolarHBondContact O-N 3.24Å | ||
| 763 | S | 39.7 | Very low | 50.9 | Low | 112 Ų | 112 | 149.8 Ų | 149.8 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | trans | -66.1 | 120.7 | 168.2 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 764 | E | 43.9 | Very low | 50.2 | Low | 192 Ų | 192 | 148.4 Ų | 148.4 | 90% | 0.897 | 76% | 0.763 | S | S | * | * | trans | -75.5 | 133.8 | 164.1 | -63.6 | -172.3 | 145.9 | 0 | 0 | 109 | I762 | I762-E764 PolarHBondContact O-N 3.24Š| ||
| 765 | E | 34.7 | Very low | 49.1 | Very low | 269 Ų | 269 | 154.3 Ų | 154.3 | 100% | 1.257 | 79% | 0.787 | S | S | * | * | trans | -93.3 | 0 | -172.6 | -170.7 | 176.9 | -142 | 0 | 0 | 113.3 |
Retrieved 765 of 765 residues in 768 ms
(Link to these results)