| 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 | 80.2 | Confident | 88.8 | Confident | 47 Ų | 47 | 50 Ų | 50 | 23% | 0.232 | 27% | 0.272 | C | S | . | . | 0 | 140.8 | 0 | -156.9 | -172.2 | -151.8 | 0 | 0 | 112.6 | L3 C16 G17 G19 V67 V71 D73 | M1-L3 HydrophobicContact CE-CD1 4.01Å; M1-L3 HydrophobicContact CE-CD2 3.95Å; M1-L3 HydrophobicContact CE-CG 4.02Å; M1-L3 HydrophobicContact CG-CG 4.49Å; M1-L3 HydrophobicContact SD-CG 4.37Å; M1-C16 HydrophobicContact CB-CB 4.32Å; M1-C16 HydrophobicContact CG-CB 4.33Å; M1-C16 HydrophobicContact SD-CB 3.73Å; M1-G17 PolarHBondContact N-O 3.38Å; M1-G19 VanDerWaalsContact SD-CA 3.58Å; M1-V67 HydrophobicContact CE-CG1 3.83Å; M1-V67 VanDerWaalsContact CE-O 3.31Å; M1-V67 WeakPolarHBondContact CE-O 3.24Å; M1-V67 HydrophobicContact SD-CG1 3.75Å; M1-V71 HydrophobicContact CE-CB 4.47Å; M1-V71 WeakPolarHBondContact CE-O 3.33Å; M1-D73 HydrophobicContact CB-CB 4.3Å; M1-D73 HydrophobicContact CG-CB 3.72Å | |||
| 2 | K | 89.8 | Confident | 88.9 | Confident | 138 Ų | 138 | 47.2 Ų | 47.2 | 60% | 0.6 | 26% | 0.257 | S | S | * | . | trans | -147.5 | 118.4 | 162.9 | -60.5 | 172 | -166.6 | 150.5 | 0 | 108.6 | V13 V14 P15 | K2-V13 HydrophobicContact CB-CG1 4.19Å; K2-V14 CarbonylContact C-O 3.56Å; K2-V14 WeakPolarHBondContact CA-O 3.45Å; K2-P15 HydrophobicContact CG-CB 4.45Å | ||
| 3 | L | 91.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 158.2 | 179.1 | -67.6 | -178 | 0 | 0 | 0 | 112.3 | M1 V13 V14 L26 V67 V71 D72 | M1-L3 HydrophobicContact CE-CD1 4.01Å; M1-L3 HydrophobicContact CE-CD2 3.95Å; M1-L3 HydrophobicContact CE-CG 4.02Å; M1-L3 HydrophobicContact CG-CG 4.49Å; M1-L3 HydrophobicContact SD-CG 4.37Å; L3-V13 CarbonylContact O-C 3.54Å; L3-V13 VanDerWaalsContact O-CA 3.3Å; L3-V13 WeakPolarHBondContact O-CA 3.31Å; L3-V14 PolarHBondContact N-O 3.3Å; L3-V14 PolarHBondContact O-N 2.83Å; L3-L26 HydrophobicContact CB-CD1 4.38Å; L3-L26 HydrophobicContact CD1-CD1 4.36Å; L3-L26 HydrophobicContact CD1-CD2 3.75Å; L3-V67 HydrophobicContact CD1-CG1 3.35Å; L3-V67 HydrophobicContact CG-CG1 4.43Å; L3-V71 HydrophobicContact CD1-CB 3.97Å; L3-V71 HydrophobicContact CD1-CG1 3.71Å; L3-V71 HydrophobicContact CD2-CB 4.41Å; L3-V71 HydrophobicContact CD2-CG1 3.53Å; L3-V71 HydrophobicContact CG-CG1 4.28Å; L3-D72 WeakPolarHBondContact CD2-O 3.21Å |
| 4 | T | 93.2 | Very high | 89.3 | Confident | 33 Ų | 33 | 46 Ų | 46 | 20% | 0.202 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 115.6 | 168.7 | -51.7 | 0 | 0 | 0 | 0 | 109.8 | K11 V12 V13 M76 V77 | T4-K11 HydrophobicContact CG2-CB 4.04Å; T4-V12 CarbonylContact C-O 3.59Å; T4-V12 WeakPolarHBondContact CA-O 3.46Å; T4-V13 HydrophobicContact CG2-CG2 4.48Å; T4-M76 HydrophobicContact CG2-CE 3.8Å; T4-M76 WeakPolarHBondContact O-CA 3.11Å; T4-V77 PolarHBondContact O-N 3.21Å |
| 5 | V | 93.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 124.6 | 175 | -168.7 | 0 | 0 | 0 | 0 | 108.6 | F7 V12 V14 L26 I52 V77 A79 | V5-F7 HydrophobicContact CB-CD2 4.43Å; V5-F7 HydrophobicContact CB-CE2 3.9Å; V5-F7 HydrophobicContact CG1-CD2 3.87Å; V5-F7 HydrophobicContact CG1-CE2 3.27Å; V5-F7 HydrophobicContact CG1-CZ 3.82Å; V5-V12 PolarHBondContact N-O 2.71Å; V5-V12 PolarHBondContact O-N 2.79Å; V5-V14 HydrophobicContact CG2-CG2 3.9Å; V5-L26 HydrophobicContact CG2-CD1 3.71Å; V5-L26 HydrophobicContact CG2-CG 4.06Å; V5-I52 HydrophobicContact CG1-CD1 4.42Å; V5-V77 CarbonylContact C-O 3.17Å; V5-V77 WeakPolarHBondContact CA-O 3.16Å; V5-V77 HydrophobicContact CB-CG2 4.2Å; V5-V77 HydrophobicContact CG1-CG2 4.13Å; V5-V77 HydrophobicContact CG2-CG2 3.85Å; V5-A79 HydrophobicContact CG1-CB 4.24Å |
| 6 | C | 92.7 | Very high | 89.5 | Confident | 7 Ų | 7 | 45 Ų | 45 | 5% | 0.047 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 119.1 | 176.9 | -53 | 0 | 0 | 0 | 0 | 109.7 | K11 V77 A79 | C6-K11 HydrophobicContact CB-CG 4.35Å; C6-V77 PolarHBondContact N-O 2.72Å; C6-A79 PolarHBondContact O-N 2.91Å |
| 7 | F | 91.4 | Very high | 89.4 | Confident | 2 Ų | 2 | 45.3 Ų | 45.3 | 1% | 0.009 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 84.6 | 168.4 | -67.2 | -99 | 0 | 0 | 0 | 106.8 | V5 D9 T10 L31 V34 V49 A79 F81 | V5-F7 HydrophobicContact CB-CD2 4.43Å; V5-F7 HydrophobicContact CB-CE2 3.9Å; V5-F7 HydrophobicContact CG1-CD2 3.87Å; V5-F7 HydrophobicContact CG1-CE2 3.27Å; V5-F7 HydrophobicContact CG1-CZ 3.82Å; F7-D9 PolarHBondContact O-N 3.37Å; F7-T10 PolarHBondContact N-O 3.42Å; F7-T10 WeakPolarHBondContact O-CB 3.42Å; F7-T10 PolarHBondContact O-N 3.46Å; F7-L31 HydrophobicContact CD1-CD2 4.15Å; F7-L31 HydrophobicContact CE1-CD2 3.44Å; F7-L31 VanDerWaalsContact CE1-CD2 3.44Å; F7-L31 HydrophobicContact CE1-CG 3.89Å; F7-L31 HydrophobicContact CZ-CD2 3.97Å; F7-L31 HydrophobicContact CZ-CG 3.96Å; F7-V34 HydrophobicContact CB-CG1 4.34Å; F7-V34 HydrophobicContact CB-CG2 4.39Å; F7-V34 HydrophobicContact CD2-CB 4.46Å; F7-V34 HydrophobicContact CD2-CG2 3.5Å; F7-V34 HydrophobicContact CE2-CG2 3.9Å; F7-V34 HydrophobicContact CG-CG1 4.42Å; F7-V34 HydrophobicContact CG-CG2 4.05Å; F7-V49 HydrophobicContact CE1-CG2 4.12Å; F7-A79 HydrophobicContact CD1-CB 3.74Å; F7-A79 HydrophobicContact CE1-CB 3.59Å; F7-A79 HydrophobicContact CE2-CB 4.49Å; F7-A79 HydrophobicContact CG-CB 4.26Å; F7-A79 HydrophobicContact CZ-CB 4.01Å; F7-F81 VanDerWaalsContact C-CE1 3.48Å; F7-F81 HydrophobicContact CB-CD1 4.26Å; F7-F81 HydrophobicContact CB-CE1 3.9Å; F7-F81 HydrophobicContact CB-CZ 4.37Å; F7-F81 HydrophobicContact CD1-CD1 4.17Å; F7-F81 HydrophobicContact CD1-CG 4.4Å |
| 8 | G | 86.7 | Confident | 89.1 | Confident | 46 Ų | 46 | 49.7 Ų | 49.7 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.3 | -132.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | T10 | G8-T10 PolarHBondContact O-N 2.79Š|
| 9 | D | 82.7 | Confident | 88.9 | Confident | 163 Ų | 163 | 47.1 Ų | 47.1 | 87% | 0.872 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.5 | 173.7 | -71.1 | -35.8 | 0 | 0 | 0 | 114.1 | F7 K11 | F7-D9 PolarHBondContact O-N 3.37Å; D9-K11 PolarHBondContact O-N 3.01Å; D9-K11 VanDerWaalsContact O-N 3.11Å |
| 10 | T | 84.8 | Confident | 88.9 | Confident | 31 Ų | 31 | 49.1 Ų | 49.1 | 19% | 0.19 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 93.2 | -176.1 | -54.9 | 0 | 0 | 0 | 0 | 111 | F7 G8 V34 T37 | F7-T10 PolarHBondContact N-O 3.42Å; F7-T10 WeakPolarHBondContact O-CB 3.42Å; F7-T10 PolarHBondContact O-N 3.46Å; G8-T10 PolarHBondContact O-N 2.79Å; T10-V34 HydrophobicContact CG2-CG1 4.14Å; T10-V34 HydrophobicContact CG2-CG2 4.01Å; T10-T37 WeakPolarHBondContact CG2-OG1 3.13Å |
| 11 | K | 90.5 | Very high | 88.9 | Confident | 83 Ų | 83 | 49 Ų | 49 | 36% | 0.361 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 124.6 | 178.3 | -50.4 | -158.8 | -178.5 | -164.6 | 0 | 111.9 | T4 C6 D9 M76 L1876 | T4-K11 HydrophobicContact CG2-CB 4.04Å; C6-K11 HydrophobicContact CB-CG 4.35Å; D9-K11 PolarHBondContact O-N 3.01Å; D9-K11 VanDerWaalsContact O-N 3.11Å; K11-M76 HydrophobicContact CD-CE 3.76Å; K11-L1876 HydrophobicContact CD-CD2 4.11Å |
| 12 | V | 90.2 | Very high | 89.6 | Confident | 16 Ų | 16 | 48.2 Ų | 48.2 | 10% | 0.097 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 126.9 | -173.2 | 147.1 | 0 | 0 | 0 | 0 | 111.7 | T4 V5 V14 R33 V34 | T4-V12 CarbonylContact C-O 3.59Å; T4-V12 WeakPolarHBondContact CA-O 3.46Å; V5-V12 PolarHBondContact N-O 2.71Å; V5-V12 PolarHBondContact O-N 2.79Å; V12-V14 HydrophobicContact CG1-CG2 4.15Å; V12-R33 HydrophobicContact CG1-CB 3.49Å; V12-R33 VanDerWaalsContact CG1-CB 3.49Å; V12-R33 HydrophobicContact CG1-CG 4.21Å; V12-R33 HydrophobicContact CG2-CB 4.2Å; V12-V34 HydrophobicContact CB-CG2 3.95Å; V12-V34 HydrophobicContact CG1-CG2 4.37Å; V12-V34 HydrophobicContact CG2-CG2 3.54Å |
| 13 | V | 91.9 | Very high | 89.7 | Confident | 77 Ų | 77 | 41.7 Ų | 41.7 | 47% | 0.467 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 124.1 | 176.7 | -176.6 | 0 | 0 | 0 | 0 | 110.8 | K2 L3 T4 R33 | K2-V13 HydrophobicContact CB-CG1 4.19Å; L3-V13 CarbonylContact O-C 3.54Å; L3-V13 VanDerWaalsContact O-CA 3.3Å; L3-V13 WeakPolarHBondContact O-CA 3.31Å; T4-V13 HydrophobicContact CG2-CG2 4.48Å; V13-R33 PolarHBondContact O-NH1 2.85Å |
| 14 | V | 91.7 | Very high | 89.8 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 121.8 | 175.7 | -175.3 | 0 | 0 | 0 | 0 | 109.8 | K2 L3 V5 V12 C16 L26 | K2-V14 CarbonylContact C-O 3.56Å; K2-V14 WeakPolarHBondContact CA-O 3.45Å; L3-V14 PolarHBondContact N-O 3.3Å; L3-V14 PolarHBondContact O-N 2.83Å; V5-V14 HydrophobicContact CG2-CG2 3.9Å; V12-V14 HydrophobicContact CG1-CG2 4.15Å; V14-C16 PolarHBondContact O-N 2.84Å; V14-L26 HydrophobicContact CB-CD1 3.74Å; V14-L26 HydrophobicContact CG1-CD1 3.82Å; V14-L26 HydrophobicContact CG2-CD1 4.03Å |
| 15 | P | 91.7 | Very high | 89.7 | Confident | 69 Ų | 69 | 46.7 Ų | 46.7 | 45% | 0.448 | 27% | 0.272 | S | S | . | . | trans | -84.9 | 96.1 | 175.1 | 33.2 | -31.8 | 0 | 0 | 0 | 110.3 | K2 G17 R33 | K2-P15 HydrophobicContact CG-CB 4.45Å; P15-G17 PolarHBondContact O-N 3.21Å; P15-G17 VanDerWaalsContact O-N 3.11Å; P15-R33 VanDerWaalsContact CD-NH1 3.33Å; P15-R33 VanDerWaalsContact CD-NH2 3.3Å | ||
| 16 | C | 88.9 | Confident | 89.7 | Confident | 7 Ų | 7 | 46.7 Ų | 46.7 | 5% | 0.047 | 27% | 0.272 | C | S | . | . | trans | -73.6 | 4.5 | -178.2 | -39.5 | 0 | 0 | 0 | 0 | 114 | M1 V14 L18 G19 L21 V67 | M1-C16 HydrophobicContact CB-CB 4.32Å; M1-C16 HydrophobicContact CG-CB 4.33Å; M1-C16 HydrophobicContact SD-CB 3.73Å; V14-C16 PolarHBondContact O-N 2.84Å; C16-L18 PolarHBondContact O-N 3.11Å; C16-G19 PolarHBondContact O-N 3.31Å; C16-L21 HydrophobicContact CB-CD1 4.13Å; C16-V67 HydrophobicContact CB-CG1 4.35Å | ||
| 17 | G | 88.3 | Confident | 89.6 | Confident | 50 Ų | 50 | 46.3 Ų | 46.3 | 52% | 0.515 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68 | -113.5 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | M1 P15 | M1-G17 PolarHBondContact N-O 3.38Å; P15-G17 PolarHBondContact O-N 3.21Å; P15-G17 VanDerWaalsContact O-N 3.11Å |
| 18 | L | 83.8 | Confident | 89.5 | Confident | 125 Ų | 125 | 48.4 Ų | 48.4 | 65% | 0.654 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -16.9 | 170.9 | -72.1 | 176.2 | 0 | 0 | 0 | 112.7 | C16 N20 | C16-L18 PolarHBondContact O-N 3.11Å; L18-N20 WeakPolarHBondContact CB-OD1 3.21Å |
| 19 | G | 86 | Confident | 89.7 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | S | Bend | trans | 109.3 | -3.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M1 C16 L21 V67 C68 | M1-G19 VanDerWaalsContact SD-CA 3.58Å; C16-G19 PolarHBondContact O-N 3.31Å; G19-L21 PolarHBondContact O-N 3.21Å; G19-V67 WeakPolarHBondContact O-CB 3.41Å; G19-V67 PolarHBondContact O-N 3.07Å; G19-C68 VanDerWaalsContact C-SG 3.56Å; G19-C68 PolarHBondContact O-N 3.03Å; G19-C68 VanDerWaalsContact O-N 3.07Å; G19-C68 PolarHBondContact O-SG 3.23Å |
| 20 | N | 88.5 | Confident | 90.1 | Very high | 87 Ų | 87 | 39.7 Ų | 39.7 | 47% | 0.465 | 23% | 0.225 | S | C | . | . | trans | -68.2 | 38.1 | 174.7 | -46.5 | 56.3 | 0 | 0 | 0 | 114.4 | L18 | L18-N20 WeakPolarHBondContact CB-OD1 3.21Š| ||
| 21 | L | 88.9 | Confident | 90.2 | Very high | 47 Ų | 47 | 38.6 Ų | 38.6 | 25% | 0.246 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -105.8 | 149.6 | 166 | -65.9 | -175.9 | 0 | 0 | 0 | 107.5 | C16 G19 D25 V67 | C16-L21 HydrophobicContact CB-CD1 4.13Å; G19-L21 PolarHBondContact O-N 3.21Å; L21-D25 HydrophobicContact CB-CB 3.93Å; L21-D25 HydrophobicContact CD2-CB 4.21Å; L21-D25 HydrophobicContact CG-CB 4.49Å; L21-V67 HydrophobicContact CB-CG2 4.47Å; L21-V67 WeakPolarHBondContact O-CB 3.03Å; L21-V67 VanDerWaalsContact O-CG2 3.23Å; L21-V67 WeakPolarHBondContact O-CG2 3.23Å; L21-V67 PolarHBondContact O-N 2.96Å |
| 22 | T | 94.1 | Very high | 89.8 | Confident | 31 Ų | 31 | 43.2 Ų | 43.2 | 19% | 0.19 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -71.5 | 161.2 | 164.7 | 58 | 0 | 0 | 0 | 0 | 110.8 | R24 D25 L26 D65 V67 | T22-R24 PolarHBondContact O-N 2.97Å; T22-D25 PolarHBondContact N-OD2 2.81Å; T22-D25 WeakPolarHBondContact O-CB 3.23Å; T22-D25 PolarHBondContact O-N 2.72Å; T22-D25 VanDerWaalsContact O-N 3.07Å; T22-D25 WeakPolarHBondContact OG1-CB 3.45Å; T22-D25 PolarHBondContact OG1-N 2.79Å; T22-D25 PolarHBondContact OG1-OD2 2.9Å; T22-L26 PolarHBondContact O-N 3.49Å; T22-D65 CarbonylContact C-O 3.4Å; T22-D65 VanDerWaalsContact CA-O 3.23Å; T22-D65 WeakPolarHBondContact CA-O 2.94Å; T22-V67 WeakPolarHBondContact O-CG2 3.18Å |
| 23 | V | 92.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.3 | -35.5 | 169.6 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | L26 T27 I52 L61 D62 W63 D65 V67 V70 | V23-L26 WeakPolarHBondContact O-CB 3.19Å; V23-L26 PolarHBondContact O-N 2.87Å; V23-T27 WeakPolarHBondContact O-CB 3.15Å; V23-T27 PolarHBondContact O-N 3.43Å; V23-T27 PolarHBondContact O-OG1 2.95Å; V23-I52 HydrophobicContact CG1-CB 4.4Å; V23-L61 HydrophobicContact CG1-CB 3.99Å; V23-L61 HydrophobicContact CG2-CB 4.09Å; V23-L61 HydrophobicContact CG2-CD1 4.35Å; V23-D62 WeakPolarHBondContact CB-O 3.49Å; V23-D62 VanDerWaalsContact CG2-O 3.31Å; V23-D62 WeakPolarHBondContact CG2-O 3.11Å; V23-W63 PolarHBondContact N-O 3.25Å; V23-D65 HydrophobicContact CG2-CB 4.02Å; V23-D65 PolarHBondContact N-O 3.44Å; V23-V67 HydrophobicContact CG2-CG2 4.08Å; V23-V70 HydrophobicContact CG2-CG2 4.18Å |
| 24 | R | 92.9 | Very high | 89 | Confident | 69 Ų | 69 | 43.7 Ų | 43.7 | 26% | 0.26 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -55.9 | -49.1 | 168.5 | -169.3 | -173.6 | -58.9 | -86.7 | 6.1 | 112 | T22 T27 L28 W63 D64 L113 | T22-R24 PolarHBondContact O-N 2.97Å; R24-T27 WeakPolarHBondContact O-CB 3.47Å; R24-T27 PolarHBondContact O-N 2.79Å; R24-L28 WeakPolarHBondContact O-CG 3.15Å; R24-L28 PolarHBondContact O-N 3.41Å; R24-W63 HydrophobicContact CB-CB 4.47Å; R24-W63 HydrophobicContact CB-CE3 4.41Å; R24-W63 VanDerWaalsContact CB-O 3.27Å; R24-W63 WeakPolarHBondContact CB-O 3.31Å; R24-W63 PolarHBondContact N-O 2.77Å; R24-D64 IonicContact CZ-OD1 2.96Å; R24-D64 VanDerWaalsContact CZ-OD1 3.25Å; R24-D64 IonicContact NE-OD1 2.77Å; R24-D64 PolarHBondContact NE-OD1 3.19Å; R24-D64 VanDerWaalsContact NH2-CG 3.34Å; R24-D64 IonicContact NH2-OD1 2.84Å; R24-D64 PolarHBondContact NH2-OD1 2.66Å; R24-D64 IonicContact NH2-OD2 2.94Å; R24-D64 PolarHBondContact NH2-OD2 2.75Å; R24-L113 HydrophobicContact CG-CD1 4.2Å |
| 25 | D | 92.5 | Very high | 88.1 | Confident | 69 Ų | 69 | 47.4 Ų | 47.4 | 37% | 0.369 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -66 | -37.2 | 176.4 | -74.1 | -55.4 | 0 | 0 | 0 | 113.5 | L21 T22 T27 S29 | L21-D25 HydrophobicContact CB-CB 3.93Å; L21-D25 HydrophobicContact CD2-CB 4.21Å; L21-D25 HydrophobicContact CG-CB 4.49Å; T22-D25 PolarHBondContact N-OD2 2.81Å; T22-D25 WeakPolarHBondContact O-CB 3.23Å; T22-D25 PolarHBondContact O-N 2.72Å; T22-D25 VanDerWaalsContact O-N 3.07Å; T22-D25 WeakPolarHBondContact OG1-CB 3.45Å; T22-D25 PolarHBondContact OG1-N 2.79Å; T22-D25 PolarHBondContact OG1-OD2 2.9Å; D25-T27 VanDerWaalsContact C-N 3.33Å; D25-S29 WeakPolarHBondContact O-CB 3.43Å; D25-S29 PolarHBondContact O-N 2.83Å; D25-S29 PolarHBondContact O-OG 3.46Å |
| 26 | L | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 172.2 | 170 | 63.7 | 0 | 0 | 0 | 110.4 | L3 V5 V14 T22 V23 S29 G30 V67 V77 | L3-L26 HydrophobicContact CB-CD1 4.38Å; L3-L26 HydrophobicContact CD1-CD1 4.36Å; L3-L26 HydrophobicContact CD1-CD2 3.75Å; V5-L26 HydrophobicContact CG2-CD1 3.71Å; V5-L26 HydrophobicContact CG2-CG 4.06Å; V14-L26 HydrophobicContact CB-CD1 3.74Å; V14-L26 HydrophobicContact CG1-CD1 3.82Å; V14-L26 HydrophobicContact CG2-CD1 4.03Å; T22-L26 PolarHBondContact O-N 3.49Å; V23-L26 WeakPolarHBondContact O-CB 3.19Å; V23-L26 PolarHBondContact O-N 2.87Å; L26-S29 CarbonylContact O-C 3.59Å; L26-S29 PolarHBondContact O-N 3.23Å; L26-G30 PolarHBondContact O-N 3.43Å; L26-V67 HydrophobicContact CB-CG2 3.89Å; L26-V67 HydrophobicContact CD2-CG1 4.14Å; L26-V67 HydrophobicContact CD2-CG2 3.92Å; L26-V77 HydrophobicContact CD2-CG2 4.31Å |
| 27 | T | 91.1 | Very high | 85.8 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.5 | -50.5 | 178.5 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | V23 R24 D25 S29 G30 L31 V49 I52 W63 L113 | V23-T27 WeakPolarHBondContact O-CB 3.15Å; V23-T27 PolarHBondContact O-N 3.43Å; V23-T27 PolarHBondContact O-OG1 2.95Å; R24-T27 WeakPolarHBondContact O-CB 3.47Å; R24-T27 PolarHBondContact O-N 2.79Å; D25-T27 VanDerWaalsContact C-N 3.33Å; T27-S29 VanDerWaalsContact C-N 3.26Å; T27-S29 PolarHBondContact O-N 3.04Å; T27-G30 CarbonylContact O-C 3.56Å; T27-G30 WeakPolarHBondContact O-CA 3.16Å; T27-G30 PolarHBondContact O-N 3.18Å; T27-L31 HydrophobicContact CG2-CD1 4.15Å; T27-L31 HydrophobicContact CG2-CG 4.49Å; T27-L31 WeakPolarHBondContact O-CG 3.27Å; T27-L31 PolarHBondContact O-N 3.08Å; T27-V49 HydrophobicContact CG2-CB 4.26Å; T27-V49 HydrophobicContact CG2-CG1 4.18Å; T27-V49 HydrophobicContact CG2-CG2 4.04Å; T27-I52 HydrophobicContact CG2-CD1 4.05Å; T27-I52 WeakPolarHBondContact OG1-CD1 3.47Å; T27-W63 HydrophobicContact CG2-CH2 4.49Å; T27-W63 HydrophobicContact CG2-CZ3 4.04Å; T27-W63 WeakPolarHBondContact OG1-CZ3 3.28Å; T27-L113 HydrophobicContact CG2-CD2 3.6Å |
| 28 | L | 90 | Very high | 84.9 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 24% | 0.236 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.3 | -38.1 | 175.2 | -68.1 | 171.9 | 0 | 0 | 0 | 111.7 | R24 R32 L113 V115 | R24-L28 WeakPolarHBondContact O-CG 3.15Å; R24-L28 PolarHBondContact O-N 3.41Å; L28-R32 WeakPolarHBondContact O-CB 3.4Å; L28-R32 WeakPolarHBondContact O-CD 3.1Å; L28-R32 WeakPolarHBondContact O-CG 3.34Å; L28-R32 PolarHBondContact O-N 2.64Å; L28-L113 HydrophobicContact CD2-CD2 4.1Å; L28-L113 HydrophobicContact CG-CD2 4.21Å; L28-V115 HydrophobicContact CD2-CG2 3.84Å |
| 29 | S | 89.7 | Confident | 83.8 | Confident | 26 Ų | 26 | 50.4 Ų | 50.4 | 18% | 0.182 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.2 | -30.1 | 175.5 | -64.6 | 0 | 0 | 0 | 0 | 113.3 | D25 L26 T27 R33 | D25-S29 WeakPolarHBondContact O-CB 3.43Å; D25-S29 PolarHBondContact O-N 2.83Å; D25-S29 PolarHBondContact O-OG 3.46Å; L26-S29 CarbonylContact O-C 3.59Å; L26-S29 PolarHBondContact O-N 3.23Å; T27-S29 VanDerWaalsContact C-N 3.26Å; T27-S29 PolarHBondContact O-N 3.04Å; S29-R33 WeakPolarHBondContact O-CD 3.32Å; S29-R33 VanDerWaalsContact O-CG 3.25Å; S29-R33 WeakPolarHBondContact O-CG 2.94Å; S29-R33 PolarHBondContact O-NE 3.23Å |
| 30 | G | 91.3 | Very high | 82.3 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -69.9 | -54 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L26 T27 R32 R33 V34 | L26-G30 PolarHBondContact O-N 3.43Å; T27-G30 CarbonylContact O-C 3.56Å; T27-G30 WeakPolarHBondContact O-CA 3.16Å; T27-G30 PolarHBondContact O-N 3.18Å; G30-R32 PolarHBondContact O-N 2.83Å; G30-R33 CarbonylContact O-C 3.56Å; G30-R33 WeakPolarHBondContact O-CA 3.09Å; G30-R33 WeakPolarHBondContact O-CB 3.08Å; G30-R33 PolarHBondContact O-N 3.23Å; G30-V34 WeakPolarHBondContact O-CG2 3.12Å; G30-V34 PolarHBondContact O-N 3.36Å |
| 31 | L | 87.6 | Confident | 81.1 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.3 | -47.5 | 178.3 | -72.2 | 170.6 | 0 | 0 | 0 | 112.2 | F7 T27 R33 V34 R35 I47 V49 V115 | F7-L31 HydrophobicContact CD1-CD2 4.15Å; F7-L31 HydrophobicContact CE1-CD2 3.44Å; F7-L31 VanDerWaalsContact CE1-CD2 3.44Å; F7-L31 HydrophobicContact CE1-CG 3.89Å; F7-L31 HydrophobicContact CZ-CD2 3.97Å; F7-L31 HydrophobicContact CZ-CG 3.96Å; T27-L31 HydrophobicContact CG2-CD1 4.15Å; T27-L31 HydrophobicContact CG2-CG 4.49Å; T27-L31 WeakPolarHBondContact O-CG 3.27Å; T27-L31 PolarHBondContact O-N 3.08Å; L31-R33 PolarHBondContact O-N 2.81Å; L31-R33 VanDerWaalsContact O-N 3.13Å; L31-V34 PolarHBondContact O-N 3.17Å; L31-R35 WeakPolarHBondContact O-CB 3.02Å; L31-R35 PolarHBondContact O-N 2.9Å; L31-I47 HydrophobicContact CD2-CB 4.16Å; L31-I47 HydrophobicContact CD2-CD1 4.07Å; L31-I47 HydrophobicContact CD2-CG2 3.57Å; L31-V49 HydrophobicContact CD1-CG2 4.06Å; L31-V49 HydrophobicContact CD2-CG2 4.12Å; L31-V49 HydrophobicContact CG-CG2 4.44Å; L31-V115 HydrophobicContact CD1-CB 4.21Å; L31-V115 HydrophobicContact CD1-CG2 3.62Å |
| 32 | R | 82.9 | Confident | 79.8 | Confident | 181 Ų | 181 | 57.7 Ų | 57.7 | 68% | 0.683 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -54.2 | -32.4 | 173.7 | -76 | 169.1 | -179.5 | 165.4 | 1.8 | 113 | L28 G30 | L28-R32 WeakPolarHBondContact O-CB 3.4Å; L28-R32 WeakPolarHBondContact O-CD 3.1Å; L28-R32 WeakPolarHBondContact O-CG 3.34Å; L28-R32 PolarHBondContact O-N 2.64Å; G30-R32 PolarHBondContact O-N 2.83Å |
| 33 | R | 83.2 | Confident | 78.2 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 39% | 0.389 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -85.7 | -29 | 177.2 | -69.4 | 164.3 | -169.1 | -98 | -22.3 | 112.7 | V12 V13 P15 S29 G30 L31 R976 | V12-R33 HydrophobicContact CG1-CB 3.49Å; V12-R33 VanDerWaalsContact CG1-CB 3.49Å; V12-R33 HydrophobicContact CG1-CG 4.21Å; V12-R33 HydrophobicContact CG2-CB 4.2Å; V13-R33 PolarHBondContact O-NH1 2.85Å; P15-R33 VanDerWaalsContact CD-NH1 3.33Å; P15-R33 VanDerWaalsContact CD-NH2 3.3Å; S29-R33 WeakPolarHBondContact O-CD 3.32Å; S29-R33 VanDerWaalsContact O-CG 3.25Å; S29-R33 WeakPolarHBondContact O-CG 2.94Å; S29-R33 PolarHBondContact O-NE 3.23Å; G30-R33 CarbonylContact O-C 3.56Å; G30-R33 WeakPolarHBondContact O-CA 3.09Å; G30-R33 WeakPolarHBondContact O-CB 3.08Å; G30-R33 PolarHBondContact O-N 3.23Å; L31-R33 PolarHBondContact O-N 2.81Å; L31-R33 VanDerWaalsContact O-N 3.13Å; R33-R976 PolarHBondContact O-NH1 2.75Å; R33-R976 PolarHBondContact O-NH2 2.86Å |
| 34 | V | 82 | Confident | 76.7 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -81.7 | -23.8 | 179.8 | 169 | 0 | 0 | 0 | 0 | 113.5 | F7 T10 V12 G30 L31 H36 T37 L38 | F7-V34 HydrophobicContact CB-CG1 4.34Å; F7-V34 HydrophobicContact CB-CG2 4.39Å; F7-V34 HydrophobicContact CD2-CB 4.46Å; F7-V34 HydrophobicContact CD2-CG2 3.5Å; F7-V34 HydrophobicContact CE2-CG2 3.9Å; F7-V34 HydrophobicContact CG-CG1 4.42Å; F7-V34 HydrophobicContact CG-CG2 4.05Å; T10-V34 HydrophobicContact CG2-CG1 4.14Å; T10-V34 HydrophobicContact CG2-CG2 4.01Å; V12-V34 HydrophobicContact CB-CG2 3.95Å; V12-V34 HydrophobicContact CG1-CG2 4.37Å; V12-V34 HydrophobicContact CG2-CG2 3.54Å; G30-V34 WeakPolarHBondContact O-CG2 3.12Å; G30-V34 PolarHBondContact O-N 3.36Å; L31-V34 PolarHBondContact O-N 3.17Å; V34-H36 PolarHBondContact O-N 3.09Å; V34-T37 WeakPolarHBondContact CA-OG1 3.26Å; V34-T37 PolarHBondContact O-N 3.25Å; V34-T37 PolarHBondContact O-OG1 2.67Å; V34-T37 VanDerWaalsContact O-OG1 3.05Å; V34-L38 HydrophobicContact CG1-CB 4.49Å; V34-L38 HydrophobicContact CG1-CD1 3.5Å; V34-L38 HydrophobicContact CG1-CD2 4.49Å; V34-L38 HydrophobicContact CG1-CG 3.52Å; V34-L38 PolarHBondContact O-N 3.23Å |
| 35 | R | 72.2 | Confident | 75.6 | Confident | 78 Ų | 78 | 62.4 Ų | 62.4 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -7.3 | -173.3 | -173.2 | 165.1 | 172.9 | -103.9 | -11.7 | 117.9 | L31 L117 D120 | L31-R35 WeakPolarHBondContact O-CB 3.02Å; L31-R35 PolarHBondContact O-N 2.9Å; R35-L117 PolarHBondContact NH2-O 3.22Å; R35-D120 IonicContact CZ-OD1 2.75Å; R35-D120 IonicContact CZ-OD2 3.54Å; R35-D120 IonicContact NH1-OD1 3.55Å; R35-D120 PolarHBondContact NH1-OD1 2.63Å; R35-D120 IonicContact NH1-OD2 3.21Å; R35-D120 PolarHBondContact NH1-OD2 3.38Å; R35-D120 VanDerWaalsContact NH2-CG 3.26Å; R35-D120 IonicContact NH2-OD1 3.36Å; R35-D120 IonicContact NH2-OD2 2.9Å; R35-D120 PolarHBondContact NH2-OD2 3.41Å |
| 36 | H | 65.7 | Low | 74.6 | Confident | 118 Ų | 118 | 62.9 Ų | 62.9 | 55% | 0.546 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.3 | 38.1 | 167.5 | 2.8 | -63.8 | 0 | 0 | 0 | 111.7 | V34 R976 | V34-H36 PolarHBondContact O-N 3.09Å; H36-R976 PolarHBondContact CD2-NE 2.78Å; H36-R976 PolarHBondContact CD2-NH1 2.8Å; H36-R976 VanDerWaalsContact CD2-NH1 3.29Å; H36-R976 VanDerWaalsContact CG-NH1 3.3Å; H36-R976 WeakPolarHBondContact O-CG 3.43Å; H36-R976 PolarHBondContact O-NE 3.48Å; H36-R976 VanDerWaalsContact O-NE 3.17Å |
| 37 | T | 66.4 | Low | 74.2 | Confident | 64 Ų | 64 | 63 Ų | 63 | 39% | 0.393 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133.1 | -18.9 | 166.8 | 46.4 | 0 | 0 | 0 | 0 | 113.3 | T10 V34 | T10-T37 WeakPolarHBondContact CG2-OG1 3.13Å; V34-T37 WeakPolarHBondContact CA-OG1 3.26Å; V34-T37 PolarHBondContact O-N 3.25Å; V34-T37 PolarHBondContact O-OG1 2.67Å; V34-T37 VanDerWaalsContact O-OG1 3.05Å |
| 38 | L | 70.3 | Confident | 73.9 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 14% | 0.141 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -63 | 160.3 | 161 | -81.3 | 168.8 | 0 | 0 | 0 | 110.9 | V34 L41 I47 F81 | V34-L38 HydrophobicContact CG1-CB 4.49Å; V34-L38 HydrophobicContact CG1-CD1 3.5Å; V34-L38 HydrophobicContact CG1-CD2 4.49Å; V34-L38 HydrophobicContact CG1-CG 3.52Å; V34-L38 PolarHBondContact O-N 3.23Å; L38-L41 HydrophobicContact CB-CD1 3.89Å; L38-L41 HydrophobicContact CD1-CD1 3.86Å; L38-I47 HydrophobicContact CD1-CD1 3.66Å; L38-F81 HydrophobicContact CD1-CE2 4.35Å; L38-F81 HydrophobicContact CD2-CE2 4.33Å; L38-F81 HydrophobicContact CD2-CZ 4.15Å |
| 39 | P | 59.3 | Low | 73.8 | Confident | 106 Ų | 106 | 61.6 Ų | 61.6 | 69% | 0.688 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -53.7 | 171.6 | 168.1 | -25.4 | 36 | 0 | 0 | 0 | 113.1 | L41 | P39-L41 VanDerWaalsContact C-N 3.27Å; P39-L41 PolarHBondContact O-N 3.02Å |
| 40 | K | 55.5 | Low | 73.8 | Confident | 217 Ų | 217 | 64.6 Ų | 64.6 | 94% | 0.943 | 31% | 0.312 | S | S | * | . | trans | -64.4 | 75.7 | -172.7 | -65.3 | 176.8 | -178.3 | 171.5 | 0 | 113.5 | G42 | K40-G42 PolarHBondContact O-N 3.26Š| ||
| 41 | L | 63.6 | Low | 73.7 | Confident | 42 Ų | 42 | 65.5 Ų | 65.5 | 22% | 0.22 | 32% | 0.319 | C | S | . | . | trans | -57.3 | 127.4 | 166.8 | -71 | 154.1 | 0 | 0 | 0 | 109.3 | L38 P39 D45 I47 I83 L117 | L38-L41 HydrophobicContact CB-CD1 3.89Å; L38-L41 HydrophobicContact CD1-CD1 3.86Å; P39-L41 VanDerWaalsContact C-N 3.27Å; P39-L41 PolarHBondContact O-N 3.02Å; L41-D45 VanDerWaalsContact CA-OD2 3.32Å; L41-D45 WeakPolarHBondContact CA-OD2 3.13Å; L41-D45 HydrophobicContact CB-CB 4.26Å; L41-D45 HydrophobicContact CD2-CB 3.69Å; L41-I47 HydrophobicContact CD1-CD1 4.05Å; L41-I47 HydrophobicContact CD1-CG1 4.38Å; L41-I83 HydrophobicContact CD2-CB 4.39Å; L41-I83 HydrophobicContact CD2-CD1 3.89Å; L41-I83 HydrophobicContact CD2-CG1 3.98Å; L41-I83 HydrophobicContact CD2-CG2 3.5Å; L41-L117 HydrophobicContact CB-CD1 3.77Å; L41-L117 HydrophobicContact CD1-CD1 3.8Å; L41-L117 HydrophobicContact CD2-CD1 4.06Å; L41-L117 HydrophobicContact CG-CD1 4.09Å | ||
| 42 | G | 61.8 | Low | 73.9 | Confident | 27 Ų | 27 | 65.2 Ų | 65.2 | 28% | 0.278 | 32% | 0.317 | S | S | . | . | trans | -71.8 | 164 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K40 Q44 D45 | K40-G42 PolarHBondContact O-N 3.26Å; G42-Q44 PolarHBondContact O-N 2.94Å; G42-Q44 VanDerWaalsContact O-N 3.11Å; G42-D45 PolarHBondContact N-OD2 3.09Å; G42-D45 PolarHBondContact O-N 2.69Å | ||
| 43 | P | 60.4 | Low | 74.4 | Confident | 94 Ų | 94 | 57.7 Ų | 57.7 | 61% | 0.61 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -9.2 | 175.5 | 29.2 | -36 | 0 | 0 | 0 | 113.7 | C118 | P43-C118 WeakPolarHBondContact O-CB 3.5Å; P43-C118 PolarHBondContact O-SG 2.82Å |
| 44 | Q | 60.5 | Low | 74.8 | Confident | 82 Ų | 82 | 53.1 Ų | 53.1 | 38% | 0.383 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -9.6 | 173.3 | -77.6 | 148.3 | 39 | 0 | 0 | 112.7 | G42 T85 L86 N88 | G42-Q44 PolarHBondContact O-N 2.94Å; G42-Q44 VanDerWaalsContact O-N 3.11Å; Q44-T85 HydrophobicContact CB-CG2 4.2Å; Q44-L86 HydrophobicContact CB-CB 4.04Å; Q44-L86 HydrophobicContact CG-CB 4.29Å; Q44-L86 WeakPolarHBondContact O-CB 3.38Å; Q44-L86 PolarHBondContact O-N 3.26Å; Q44-N88 PolarHBondContact NE2-ND2 3.31Å; Q44-N88 PolarHBondContact OE1-ND2 3.47Å |
| 45 | D | 69.5 | Low | 75 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 12% | 0.123 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 143.2 | 179.4 | -64.3 | -27.2 | 0 | 0 | 0 | 111.3 | L41 G42 I83 T85 L117 | L41-D45 VanDerWaalsContact CA-OD2 3.32Å; L41-D45 WeakPolarHBondContact CA-OD2 3.13Å; L41-D45 HydrophobicContact CB-CB 4.26Å; L41-D45 HydrophobicContact CD2-CB 3.69Å; G42-D45 PolarHBondContact N-OD2 3.09Å; G42-D45 PolarHBondContact O-N 2.69Å; D45-I83 HydrophobicContact CB-CG2 3.98Å; D45-T85 WeakPolarHBondContact OD1-CA 2.98Å; D45-T85 VanDerWaalsContact OD1-CB 3.29Å; D45-T85 WeakPolarHBondContact OD1-CB 3Å; D45-T85 WeakPolarHBondContact OD1-CG2 3.46Å; D45-T85 PolarHBondContact OD1-OG1 3Å; D45-L117 HydrophobicContact CB-CD1 4.15Å; D45-L117 WeakPolarHBondContact O-CB 3.46Å; D45-L117 VanDerWaalsContact O-CD1 3.25Å; D45-L117 WeakPolarHBondContact O-CD1 3.36Å; D45-L117 WeakPolarHBondContact O-CG 3.49Å |
| 46 | R | 72.1 | Confident | 75.4 | Confident | 79 Ų | 79 | 60 Ų | 60 | 30% | 0.298 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 142.3 | 169.7 | -66.2 | -178.3 | 161.9 | 169.1 | -7 | 109 | I83 A84 L86 D116 | R46-I83 WeakPolarHBondContact O-CA 3.3Å; R46-A84 PolarHBondContact N-O 2.87Å; R46-A84 PolarHBondContact O-N 3.34Å; R46-L86 HydrophobicContact CG-CD1 4Å; R46-D116 IonicContact CZ-OD1 3.95Å; R46-D116 IonicContact CZ-OD2 3.17Å; R46-D116 VanDerWaalsContact NE-CG 3.3Å; R46-D116 IonicContact NE-OD1 3.54Å; R46-D116 PolarHBondContact NE-OD1 2.79Å; R46-D116 IonicContact NE-OD2 3.51Å; R46-D116 PolarHBondContact NE-OD2 2.92Å; R46-D116 VanDerWaalsContact NH2-CG 3.33Å; R46-D116 IonicContact NH2-OD1 3.88Å; R46-D116 PolarHBondContact NH2-OD1 2.76Å; R46-D116 IonicContact NH2-OD2 3.15Å; R46-D116 PolarHBondContact NH2-OD2 2.81Å |
| 47 | I | 82.5 | Confident | 76.1 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 126.4 | 167.3 | -60.7 | 170.4 | 0 | 0 | 0 | 107.4 | L31 L38 L41 V49 F81 V115 L117 | L31-I47 HydrophobicContact CD2-CB 4.16Å; L31-I47 HydrophobicContact CD2-CD1 4.07Å; L31-I47 HydrophobicContact CD2-CG2 3.57Å; L38-I47 HydrophobicContact CD1-CD1 3.66Å; L41-I47 HydrophobicContact CD1-CD1 4.05Å; L41-I47 HydrophobicContact CD1-CG1 4.38Å; I47-V49 HydrophobicContact CG2-CG2 4.25Å; I47-F81 HydrophobicContact CG2-CB 4.25Å; I47-F81 HydrophobicContact CG2-CD2 3.94Å; I47-F81 HydrophobicContact CG2-CG 4.43Å; I47-V115 PolarHBondContact N-O 2.76Å; I47-V115 PolarHBondContact O-N 2.71Å; I47-L117 HydrophobicContact CD1-CD2 4.01Å; I47-L117 HydrophobicContact CG1-CD1 4.29Å; I47-L117 HydrophobicContact CG1-CD2 4.13Å |
| 48 | V | 85 | Confident | 76.9 | Confident | 17 Ų | 17 | 57.7 Ų | 57.7 | 10% | 0.103 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 115.8 | 177.5 | -178.4 | 0 | 0 | 0 | 0 | 107.5 | F81 S82 A84 P112 V114 | V48-F81 CarbonylContact O-C 3.25Å; V48-F81 WeakPolarHBondContact O-CA 3.31Å; V48-F81 WeakPolarHBondContact O-CB 2.95Å; V48-S82 PolarHBondContact N-O 3.22Å; V48-S82 PolarHBondContact O-N 3.32Å; V48-A84 HydrophobicContact CG2-CB 4.21Å; V48-P112 HydrophobicContact CG1-CB 3.78Å; V48-P112 HydrophobicContact CG1-CG 4.41Å; V48-V114 HydrophobicContact CG1-CG2 4.08Å; V48-V114 HydrophobicContact CG2-CG1 4.31Å; V48-V114 HydrophobicContact CG2-CG2 4.12Å |
| 49 | V | 89.3 | Confident | 77.6 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 113.6 | 176.3 | -172.6 | 0 | 0 | 0 | 0 | 108.5 | F7 T27 L31 I47 S51 I52 W63 A79 H80 F81 P112 L113 | F7-V49 HydrophobicContact CE1-CG2 4.12Å; T27-V49 HydrophobicContact CG2-CB 4.26Å; T27-V49 HydrophobicContact CG2-CG1 4.18Å; T27-V49 HydrophobicContact CG2-CG2 4.04Å; L31-V49 HydrophobicContact CD1-CG2 4.06Å; L31-V49 HydrophobicContact CD2-CG2 4.12Å; L31-V49 HydrophobicContact CG-CG2 4.44Å; I47-V49 HydrophobicContact CG2-CG2 4.25Å; V49-S51 WeakPolarHBondContact CG1-O 3.26Å; V49-I52 HydrophobicContact CG1-CG1 4.32Å; V49-W63 HydrophobicContact CB-CH2 4.15Å; V49-W63 HydrophobicContact CG1-CH2 3.94Å; V49-W63 WeakPolarHBondContact O-CZ2 3.33Å; V49-A79 HydrophobicContact CG1-CB 3.94Å; V49-H80 CarbonylContact C-O 3.43Å; V49-F81 HydrophobicContact CG2-CB 4.13Å; V49-P112 CarbonylContact O-C 3.52Å; V49-P112 WeakPolarHBondContact O-CA 3.07Å; V49-L113 HydrophobicContact CB-CB 4.45Å; V49-L113 PolarHBondContact N-O 3.42Å; V49-L113 PolarHBondContact O-N 3.3Å |
| 50 | H | 89.1 | Confident | 78.9 | Confident | 89 Ų | 89 | 59.7 Ų | 59.7 | 41% | 0.412 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | -41.4 | -176.1 | -40.1 | 100.6 | 0 | 0 | 0 | 111.9 | H80 S82 | H50-H80 PolarHBondContact N-O 2.82Å; H50-H80 PolarHBondContact ND1-O 2.69Å; H50-S82 PolarHBondContact CE1-N 2.96Å; H50-S82 PolarHBondContact CE1-OG 3Å; H50-S82 VanDerWaalsContact CE1-OG 3.25Å; H50-S82 PolarHBondContact NE2-OG 2.79Å |
| 51 | S | 89.2 | Confident | 80.5 | Confident | 19 Ų | 19 | 50.3 Ų | 50.3 | 13% | 0.133 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 162.3 | 177.4 | 66.9 | 0 | 0 | 0 | 0 | 111.4 | V49 N53 H80 | V49-S51 WeakPolarHBondContact CG1-O 3.26Å; S51-N53 WeakPolarHBondContact CB-OD1 3.34Å; S51-N53 PolarHBondContact OG-OD1 3.45Å; S51-H80 PolarHBondContact O-N 2.87Å |
| 52 | I | 92.3 | Very high | 81.7 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 132.3 | 157.2 | -65.5 | -153.7 | 0 | 0 | 0 | 108.7 | V5 V23 T27 V49 M60 L61 V77 T78 A79 | V5-I52 HydrophobicContact CG1-CD1 4.42Å; V23-I52 HydrophobicContact CG1-CB 4.4Å; T27-I52 HydrophobicContact CG2-CD1 4.05Å; T27-I52 WeakPolarHBondContact OG1-CD1 3.47Å; V49-I52 HydrophobicContact CG1-CG1 4.32Å; I52-M60 WeakPolarHBondContact O-CA 3.5Å; I52-L61 HydrophobicContact CG2-CD1 3.94Å; I52-L61 PolarHBondContact O-N 3.49Å; I52-V77 HydrophobicContact CG2-CB 3.67Å; I52-V77 HydrophobicContact CG2-CG1 4.39Å; I52-V77 HydrophobicContact CG2-CG2 3.98Å; I52-T78 WeakPolarHBondContact CA-O 3.27Å; I52-A79 HydrophobicContact CD1-CB 4.17Å; I52-A79 HydrophobicContact CG1-CB 4.13Å |
| 53 | N | 91.9 | Very high | 82.8 | Confident | 23 Ų | 23 | 49.9 Ų | 49.9 | 12% | 0.123 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 141.1 | -179.8 | -63.8 | 59.8 | 0 | 0 | 0 | 109.5 | S51 G58 G59 M60 V77 T78 H80 | S51-N53 WeakPolarHBondContact CB-OD1 3.34Å; S51-N53 PolarHBondContact OG-OD1 3.45Å; N53-G58 PolarHBondContact ND2-O 3.24Å; N53-G59 CarbonylContact C-O 3.37Å; N53-G59 VanDerWaalsContact CA-O 3.28Å; N53-G59 WeakPolarHBondContact CA-O 3.2Å; N53-M60 VanDerWaalsContact ND2-CG 3.26Å; N53-M60 WeakPolarHBondContact ND2-CG 3.07Å; N53-V77 CarbonylContact O-C 3.47Å; N53-V77 WeakPolarHBondContact O-CA 3.32Å; N53-T78 PolarHBondContact N-O 3.05Å; N53-T78 PolarHBondContact O-N 2.95Å; N53-H80 PolarHBondContact OD1-CD2 2.78Å; N53-H80 VanDerWaalsContact OD1-CD2 3.3Å |
| 54 | V | 91.9 | Very high | 84.2 | Confident | 8 Ų | 8 | 49.2 Ų | 49.2 | 5% | 0.048 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 130.2 | 173 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | R56 D57 G58 G59 L61 V71 V77 | V54-R56 VanDerWaalsContact C-N 3.26Å; V54-R56 HydrophobicContact CG1-CG 4.26Å; V54-R56 PolarHBondContact O-N 2.84Å; V54-R56 VanDerWaalsContact O-N 3.15Å; V54-D57 VanDerWaalsContact CB-OD1 3.23Å; V54-D57 WeakPolarHBondContact CB-OD1 3.24Å; V54-D57 VanDerWaalsContact CG1-OD1 3.28Å; V54-D57 WeakPolarHBondContact CG1-OD1 3.37Å; V54-G58 WeakPolarHBondContact O-CA 3.12Å; V54-G58 PolarHBondContact O-N 3.19Å; V54-G59 PolarHBondContact N-O 3.07Å; V54-L61 HydrophobicContact CG2-CD1 4.07Å; V54-L61 HydrophobicContact CG2-CD2 3.68Å; V54-L61 HydrophobicContact CG2-CG 3.95Å; V54-V71 HydrophobicContact CG2-CG2 4.41Å; V54-V77 HydrophobicContact CG2-CG1 4.35Å |
| 55 | A | 87.2 | Confident | 85.7 | Confident | 51 Ų | 51 | 48.2 Ų | 48.2 | 42% | 0.421 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | 11.7 | -162.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | M76 T78 | A55-M76 HydrophobicContact CB-CB 4.06Å; A55-M76 WeakPolarHBondContact CB-O 3.39Å; A55-M76 PolarHBondContact N-O 2.74Å; A55-T78 WeakPolarHBondContact CB-OG1 3.28Å |
| 56 | R | 81 | Confident | 86.7 | Confident | 170 Ų | 170 | 50.1 Ų | 50.1 | 64% | 0.642 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.9 | -28.2 | 176.4 | 76.6 | 179.1 | 173.6 | -141.4 | -28.6 | 113.4 | V54 E75 | V54-R56 VanDerWaalsContact C-N 3.26Å; V54-R56 HydrophobicContact CG1-CG 4.26Å; V54-R56 PolarHBondContact O-N 2.84Å; V54-R56 VanDerWaalsContact O-N 3.15Å; R56-E75 IonicContact CZ-OE1 2.72Å; R56-E75 IonicContact NH1-OE1 3.83Å; R56-E75 PolarHBondContact NH1-OE1 2.83Å; R56-E75 IonicContact NH2-OE1 3.66Å; R56-E75 PolarHBondContact NH2-OE1 3.08Å; R56-E75 IonicContact NH2-OE2 3.03Å |
| 57 | D | 80.2 | Confident | 87.6 | Confident | 93 Ų | 93 | 46.3 Ų | 46.3 | 50% | 0.497 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -139.8 | -5.9 | -164.1 | 46 | 14.6 | 0 | 0 | 0 | 112.2 | V54 G59 | V54-D57 VanDerWaalsContact CB-OD1 3.23Å; V54-D57 WeakPolarHBondContact CB-OD1 3.24Å; V54-D57 VanDerWaalsContact CG1-OD1 3.28Å; V54-D57 WeakPolarHBondContact CG1-OD1 3.37Å; D57-G59 PolarHBondContact O-N 2.85Å |
| 58 | G | 82.1 | Confident | 88 | Confident | 41 Ų | 41 | 48.2 Ų | 48.2 | 42% | 0.423 | 27% | 0.268 | S | S | . | . | trans | 78.3 | -0.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | N53 V54 M60 | N53-G58 PolarHBondContact ND2-O 3.24Å; V54-G58 WeakPolarHBondContact O-CA 3.12Å; V54-G58 PolarHBondContact O-N 3.19Å; G58-M60 PolarHBondContact O-N 3.27Å | ||
| 59 | G | 84.8 | Confident | 88.3 | Confident | 35 Ų | 35 | 52.2 Ų | 52.2 | 36% | 0.361 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 121.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N53 V54 D57 | N53-G59 CarbonylContact C-O 3.37Å; N53-G59 VanDerWaalsContact CA-O 3.28Å; N53-G59 WeakPolarHBondContact CA-O 3.2Å; V54-G59 PolarHBondContact N-O 3.07Å; D57-G59 PolarHBondContact O-N 2.85Å |
| 60 | M | 86.2 | Confident | 88.3 | Confident | 140 Ų | 140 | 54.6 Ų | 54.6 | 69% | 0.69 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 137.9 | 176.1 | -71.3 | 173.3 | 60.8 | 0 | 0 | 110.7 | I52 N53 G58 | I52-M60 WeakPolarHBondContact O-CA 3.5Å; N53-M60 VanDerWaalsContact ND2-CG 3.26Å; N53-M60 WeakPolarHBondContact ND2-CG 3.07Å; G58-M60 PolarHBondContact O-N 3.27Å |
| 61 | L | 89.7 | Confident | 88.3 | Confident | 20 Ų | 20 | 50.7 Ų | 50.7 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 133.1 | 176.7 | -60.2 | -178.4 | 0 | 0 | 0 | 110 | V23 I52 V54 V70 V71 V77 | V23-L61 HydrophobicContact CG1-CB 3.99Å; V23-L61 HydrophobicContact CG2-CB 4.09Å; V23-L61 HydrophobicContact CG2-CD1 4.35Å; I52-L61 HydrophobicContact CG2-CD1 3.94Å; I52-L61 PolarHBondContact O-N 3.49Å; V54-L61 HydrophobicContact CG2-CD1 4.07Å; V54-L61 HydrophobicContact CG2-CD2 3.68Å; V54-L61 HydrophobicContact CG2-CG 3.95Å; L61-V70 HydrophobicContact CD2-CB 3.98Å; L61-V70 HydrophobicContact CD2-CG2 4.06Å; L61-V71 HydrophobicContact CD1-CG2 3.45Å; L61-V71 VanDerWaalsContact CD1-CG2 3.45Å; L61-V71 HydrophobicContact CD2-CG2 4.15Å; L61-V71 HydrophobicContact CG-CG2 4.46Å; L61-V77 HydrophobicContact CD1-CG1 3.96Å |
| 62 | D | 89.5 | Confident | 88.3 | Confident | 53 Ų | 53 | 54.1 Ų | 54.1 | 28% | 0.283 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -70 | 148.4 | 174.8 | -159.7 | -19.9 | 0 | 0 | 0 | 110 | V23 D64 D65 L109 | V23-D62 WeakPolarHBondContact CB-O 3.49Å; V23-D62 VanDerWaalsContact CG2-O 3.31Å; V23-D62 WeakPolarHBondContact CG2-O 3.11Å; D62-D64 VanDerWaalsContact C-N 3.27Å; D62-D64 PolarHBondContact O-N 2.7Å; D62-D65 HydrophobicContact CB-CB 4.48Å; D62-D65 WeakPolarHBondContact CB-OD2 3.4Å; D62-D65 PolarHBondContact N-OD2 3.1Å; D62-L109 WeakPolarHBondContact OD2-CD2 3.39Å |
| 63 | W | 85.5 | Confident | 87.9 | Confident | 8 Ų | 8 | 58.1 Ų | 58.1 | 3% | 0.03 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -34.6 | -175.6 | -70.8 | 113.6 | 0 | 0 | 0 | 113.1 | V23 R24 T27 V49 T111 L113 | V23-W63 PolarHBondContact N-O 3.25Å; R24-W63 HydrophobicContact CB-CB 4.47Å; R24-W63 HydrophobicContact CB-CE3 4.41Å; R24-W63 VanDerWaalsContact CB-O 3.27Å; R24-W63 WeakPolarHBondContact CB-O 3.31Å; R24-W63 PolarHBondContact N-O 2.77Å; T27-W63 HydrophobicContact CG2-CH2 4.49Å; T27-W63 HydrophobicContact CG2-CZ3 4.04Å; T27-W63 WeakPolarHBondContact OG1-CZ3 3.28Å; V49-W63 HydrophobicContact CB-CH2 4.15Å; V49-W63 HydrophobicContact CG1-CH2 3.94Å; V49-W63 WeakPolarHBondContact O-CZ2 3.33Å; W63-T111 PolarHBondContact NE1-O 3.25Å; W63-L113 HydrophobicContact CE3-CB 4.49Å; W63-L113 HydrophobicContact CH2-CB 3.53Å; W63-L113 HydrophobicContact CH2-CD2 4.36Å; W63-L113 HydrophobicContact CZ2-CB 3.89Å; W63-L113 HydrophobicContact CZ3-CB 3.88Å; W63-L113 HydrophobicContact CZ3-CD2 3.92Å; W63-L113 HydrophobicContact CZ3-CG 4.49Å |
| 64 | D | 88.8 | Confident | 87.2 | Confident | 80 Ų | 80 | 66.4 Ų | 66.4 | 43% | 0.428 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -1.7 | -170.1 | -58.9 | -36.7 | 0 | 0 | 0 | 112.7 | R24 D62 | R24-D64 IonicContact CZ-OD1 2.96Å; R24-D64 VanDerWaalsContact CZ-OD1 3.25Å; R24-D64 IonicContact NE-OD1 2.77Å; R24-D64 PolarHBondContact NE-OD1 3.19Å; R24-D64 VanDerWaalsContact NH2-CG 3.34Å; R24-D64 IonicContact NH2-OD1 2.84Å; R24-D64 PolarHBondContact NH2-OD1 2.66Å; R24-D64 IonicContact NH2-OD2 2.94Å; R24-D64 PolarHBondContact NH2-OD2 2.75Å; D62-D64 VanDerWaalsContact C-N 3.27Å; D62-D64 PolarHBondContact O-N 2.7Å |
| 65 | D | 91.3 | Very high | 86.8 | Confident | 61 Ų | 61 | 67.4 Ų | 67.4 | 33% | 0.326 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -59 | 143.6 | 169.9 | -87.8 | -35.6 | 0 | 0 | 0 | 112.2 | T22 V23 D62 V70 | T22-D65 CarbonylContact C-O 3.4Å; T22-D65 VanDerWaalsContact CA-O 3.23Å; T22-D65 WeakPolarHBondContact CA-O 2.94Å; V23-D65 HydrophobicContact CG2-CB 4.02Å; V23-D65 PolarHBondContact N-O 3.44Å; D62-D65 HydrophobicContact CB-CB 4.48Å; D62-D65 WeakPolarHBondContact CB-OD2 3.4Å; D62-D65 PolarHBondContact N-OD2 3.1Å; D65-V70 HydrophobicContact CB-CG1 4.1Å; D65-V70 HydrophobicContact CB-CG2 3.88Å |
| 66 | L | 90.5 | Very high | 87 | Confident | 62 Ų | 62 | 67.6 Ų | 67.6 | 33% | 0.325 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -77.7 | 130 | 170.1 | -70.6 | -178.7 | 0 | 0 | 0 | 110.7 | C68 D69 V70 | L66-C68 PolarHBondContact O-N 2.93Å; L66-C68 VanDerWaalsContact O-N 3.16Å; L66-D69 HydrophobicContact CB-CB 4.32Å; L66-D69 WeakPolarHBondContact O-CB 3.08Å; L66-D69 PolarHBondContact O-N 3.05Å; L66-V70 PolarHBondContact O-N 2.74Å |
| 67 | V | 91.9 | Very high | 87.5 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64 | -26.3 | -173.3 | 171.6 | 0 | 0 | 0 | 0 | 113 | M1 L3 C16 G19 L21 T22 V23 L26 D69 V71 | M1-V67 HydrophobicContact CE-CG1 3.83Å; M1-V67 VanDerWaalsContact CE-O 3.31Å; M1-V67 WeakPolarHBondContact CE-O 3.24Å; M1-V67 HydrophobicContact SD-CG1 3.75Å; L3-V67 HydrophobicContact CD1-CG1 3.35Å; L3-V67 HydrophobicContact CG-CG1 4.43Å; C16-V67 HydrophobicContact CB-CG1 4.35Å; G19-V67 WeakPolarHBondContact O-CB 3.41Å; G19-V67 PolarHBondContact O-N 3.07Å; L21-V67 HydrophobicContact CB-CG2 4.47Å; L21-V67 WeakPolarHBondContact O-CB 3.03Å; L21-V67 VanDerWaalsContact O-CG2 3.23Å; L21-V67 WeakPolarHBondContact O-CG2 3.23Å; L21-V67 PolarHBondContact O-N 2.96Å; T22-V67 WeakPolarHBondContact O-CG2 3.18Å; V23-V67 HydrophobicContact CG2-CG2 4.08Å; L26-V67 HydrophobicContact CB-CG2 3.89Å; L26-V67 HydrophobicContact CD2-CG1 4.14Å; L26-V67 HydrophobicContact CD2-CG2 3.92Å; V67-D69 VanDerWaalsContact C-N 3.28Å; V67-D69 PolarHBondContact O-N 3.35Å; V67-V71 PolarHBondContact O-N 3.27Å |
| 68 | C | 90.9 | Very high | 88.2 | Confident | 41 Ų | 41 | 57 Ų | 57 | 28% | 0.277 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -70.1 | -18 | 170.2 | 42.7 | 0 | 0 | 0 | 0 | 115 | G19 L66 | G19-C68 VanDerWaalsContact C-SG 3.56Å; G19-C68 PolarHBondContact O-N 3.03Å; G19-C68 VanDerWaalsContact O-N 3.07Å; G19-C68 PolarHBondContact O-SG 3.23Å; L66-C68 PolarHBondContact O-N 2.93Å; L66-C68 VanDerWaalsContact O-N 3.16Å |
| 69 | D | 90.4 | Very high | 88.7 | Confident | 102 Ų | 102 | 55.2 Ų | 55.2 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -99.4 | -18.5 | -170.7 | -58.3 | 4.3 | 0 | 0 | 0 | 111.3 | L66 V67 | L66-D69 HydrophobicContact CB-CB 4.32Å; L66-D69 WeakPolarHBondContact O-CB 3.08Å; L66-D69 PolarHBondContact O-N 3.05Å; V67-D69 VanDerWaalsContact C-N 3.28Å; V67-D69 PolarHBondContact O-N 3.35Å |
| 70 | V | 90.4 | Very high | 89 | Confident | 49 Ų | 49 | 57.9 Ų | 57.9 | 30% | 0.297 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -125.3 | -11.5 | -175.6 | -68.8 | 0 | 0 | 0 | 0 | 116.7 | V23 L61 D65 L66 | V23-V70 HydrophobicContact CG2-CG2 4.18Å; L61-V70 HydrophobicContact CD2-CB 3.98Å; L61-V70 HydrophobicContact CD2-CG2 4.06Å; D65-V70 HydrophobicContact CB-CG1 4.1Å; D65-V70 HydrophobicContact CB-CG2 3.88Å; L66-V70 PolarHBondContact O-N 2.74Å |
| 71 | V | 88.8 | Confident | 89.2 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 5% | 0.048 | 27% | 0.271 | C | S | . | . | trans | -138.3 | 139.4 | 179.5 | -171.7 | 0 | 0 | 0 | 0 | 110.7 | M1 L3 V54 L61 V67 E75 V77 | M1-V71 HydrophobicContact CE-CB 4.47Å; M1-V71 WeakPolarHBondContact CE-O 3.33Å; L3-V71 HydrophobicContact CD1-CB 3.97Å; L3-V71 HydrophobicContact CD1-CG1 3.71Å; L3-V71 HydrophobicContact CD2-CB 4.41Å; L3-V71 HydrophobicContact CD2-CG1 3.53Å; L3-V71 HydrophobicContact CG-CG1 4.28Å; V54-V71 HydrophobicContact CG2-CG2 4.41Å; L61-V71 HydrophobicContact CD1-CG2 3.45Å; L61-V71 VanDerWaalsContact CD1-CG2 3.45Å; L61-V71 HydrophobicContact CD2-CG2 4.15Å; L61-V71 HydrophobicContact CG-CG2 4.46Å; V67-V71 PolarHBondContact O-N 3.27Å; V71-E75 WeakPolarHBondContact CA-OE2 3.07Å; V71-E75 HydrophobicContact CG1-CB 3.75Å; V71-E75 VanDerWaalsContact CG1-OE2 3.3Å; V71-E75 WeakPolarHBondContact CG1-OE2 3.25Å; V71-V77 HydrophobicContact CG1-CG1 3.96Å; V71-V77 HydrophobicContact CG2-CG1 4.02Å | ||
| 72 | D | 88.4 | Confident | 89 | Confident | 90 Ų | 90 | 55 Ų | 55 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | trans | -94.1 | 155.9 | 178.5 | -158.4 | 4.6 | 0 | 0 | 0 | 112.7 | L3 R74 E75 | L3-D72 WeakPolarHBondContact CD2-O 3.21Å; D72-R74 PolarHBondContact O-N 2.76Å; D72-E75 HydrophobicContact CB-CG 4.06Å; D72-E75 WeakPolarHBondContact CB-OE1 3.36Å; D72-E75 VanDerWaalsContact N-CD 3.3Å; D72-E75 PolarHBondContact N-OE2 2.91Å; D72-E75 WeakPolarHBondContact O-CB 3.34Å; D72-E75 PolarHBondContact O-N 3.12Å | ||
| 73 | D | 84.9 | Confident | 88.6 | Confident | 85 Ų | 85 | 56.5 Ų | 56.5 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -0.9 | -171.7 | 112.9 | -38.5 | 0 | 0 | 0 | 115.8 | M1 | M1-D73 HydrophobicContact CB-CB 4.3Å; M1-D73 HydrophobicContact CG-CB 3.72Å |
| 74 | R | 77.1 | Confident | 88.1 | Confident | 198 Ų | 198 | 58.1 Ų | 58.1 | 75% | 0.747 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.2 | -13.9 | 172.4 | -56.2 | 179.1 | -176 | -170.1 | 3 | 113.2 | D72 | D72-R74 PolarHBondContact O-N 2.76Š|
| 75 | E | 84.1 | Confident | 86.8 | Confident | 28 Ų | 28 | 58.8 Ų | 58.8 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | trans | -86.4 | 164.3 | -171.4 | -67.3 | 169 | -172.9 | 0 | 0 | 112.4 | R56 V71 D72 | R56-E75 IonicContact CZ-OE1 2.72Å; R56-E75 IonicContact NH1-OE1 3.83Å; R56-E75 PolarHBondContact NH1-OE1 2.83Å; R56-E75 IonicContact NH2-OE1 3.66Å; R56-E75 PolarHBondContact NH2-OE1 3.08Å; R56-E75 IonicContact NH2-OE2 3.03Å; V71-E75 WeakPolarHBondContact CA-OE2 3.07Å; V71-E75 HydrophobicContact CG1-CB 3.75Å; V71-E75 VanDerWaalsContact CG1-OE2 3.3Å; V71-E75 WeakPolarHBondContact CG1-OE2 3.25Å; D72-E75 HydrophobicContact CB-CG 4.06Å; D72-E75 WeakPolarHBondContact CB-OE1 3.36Å; D72-E75 VanDerWaalsContact N-CD 3.3Å; D72-E75 PolarHBondContact N-OE2 2.91Å; D72-E75 WeakPolarHBondContact O-CB 3.34Å; D72-E75 PolarHBondContact O-N 3.12Å | ||
| 76 | M | 89.7 | Confident | 84.9 | Confident | 55 Ų | 55 | 59.1 Ų | 59.1 | 27% | 0.271 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 144.3 | 175.2 | -58.4 | -176.8 | 62.4 | 0 | 0 | 107.6 | T4 K11 A55 | T4-M76 HydrophobicContact CG2-CE 3.8Å; T4-M76 WeakPolarHBondContact O-CA 3.11Å; K11-M76 HydrophobicContact CD-CE 3.76Å; A55-M76 HydrophobicContact CB-CB 4.06Å; A55-M76 WeakPolarHBondContact CB-O 3.39Å; A55-M76 PolarHBondContact N-O 2.74Å |
| 77 | V | 93.4 | Very high | 82.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 143.5 | 176.8 | -60.3 | 0 | 0 | 0 | 0 | 109.5 | T4 V5 C6 L26 I52 N53 V54 L61 V71 | T4-V77 PolarHBondContact O-N 3.21Å; V5-V77 CarbonylContact C-O 3.17Å; V5-V77 WeakPolarHBondContact CA-O 3.16Å; V5-V77 HydrophobicContact CB-CG2 4.2Å; V5-V77 HydrophobicContact CG1-CG2 4.13Å; V5-V77 HydrophobicContact CG2-CG2 3.85Å; C6-V77 PolarHBondContact N-O 2.72Å; L26-V77 HydrophobicContact CD2-CG2 4.31Å; I52-V77 HydrophobicContact CG2-CB 3.67Å; I52-V77 HydrophobicContact CG2-CG1 4.39Å; I52-V77 HydrophobicContact CG2-CG2 3.98Å; N53-V77 CarbonylContact O-C 3.47Å; N53-V77 WeakPolarHBondContact O-CA 3.32Å; V54-V77 HydrophobicContact CG2-CG1 4.35Å; L61-V77 HydrophobicContact CD1-CG1 3.96Å; V71-V77 HydrophobicContact CG1-CG1 3.96Å; V71-V77 HydrophobicContact CG2-CG1 4.02Å |
| 78 | T | 93.4 | Very high | 79.6 | Confident | 41 Ų | 41 | 66 Ų | 66 | 25% | 0.252 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.5 | -179.3 | -62.9 | 0 | 0 | 0 | 0 | 108.7 | I52 N53 A55 | I52-T78 WeakPolarHBondContact CA-O 3.27Å; N53-T78 PolarHBondContact N-O 3.05Å; N53-T78 PolarHBondContact O-N 2.95Å; A55-T78 WeakPolarHBondContact CB-OG1 3.28Å |
| 79 | A | 93.2 | Very high | 76.6 | Confident | 3 Ų | 3 | 69.3 Ų | 69.3 | 3% | 0.025 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 119.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | V5 C6 F7 V49 I52 | V5-A79 HydrophobicContact CG1-CB 4.24Å; C6-A79 PolarHBondContact O-N 2.91Å; F7-A79 HydrophobicContact CD1-CB 3.74Å; F7-A79 HydrophobicContact CE1-CB 3.59Å; F7-A79 HydrophobicContact CE2-CB 4.49Å; F7-A79 HydrophobicContact CG-CB 4.26Å; F7-A79 HydrophobicContact CZ-CB 4.01Å; V49-A79 HydrophobicContact CG1-CB 3.94Å; I52-A79 HydrophobicContact CD1-CB 4.17Å; I52-A79 HydrophobicContact CG1-CB 4.13Å |
| 80 | H | 90.5 | Very high | 73.7 | Confident | 92 Ų | 92 | 70.4 Ų | 70.4 | 43% | 0.426 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 111.7 | 174.3 | -70.7 | -107.6 | 0 | 0 | 0 | 108.3 | V49 H50 S51 N53 | V49-H80 CarbonylContact C-O 3.43Å; H50-H80 PolarHBondContact N-O 2.82Å; H50-H80 PolarHBondContact ND1-O 2.69Å; S51-H80 PolarHBondContact O-N 2.87Å; N53-H80 PolarHBondContact OD1-CD2 2.78Å; N53-H80 VanDerWaalsContact OD1-CD2 3.3Å |
| 81 | F | 91 | Very high | 70.6 | Confident | 55 Ų | 55 | 77.5 Ų | 77.5 | 24% | 0.241 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 152.1 | -170.3 | 76.5 | -75.5 | 0 | 0 | 0 | 113.2 | F7 L38 I47 V48 V49 I83 | F7-F81 VanDerWaalsContact C-CE1 3.48Å; F7-F81 HydrophobicContact CB-CD1 4.26Å; F7-F81 HydrophobicContact CB-CE1 3.9Å; F7-F81 HydrophobicContact CB-CZ 4.37Å; F7-F81 HydrophobicContact CD1-CD1 4.17Å; F7-F81 HydrophobicContact CD1-CG 4.4Å; L38-F81 HydrophobicContact CD1-CE2 4.35Å; L38-F81 HydrophobicContact CD2-CE2 4.33Å; L38-F81 HydrophobicContact CD2-CZ 4.15Å; I47-F81 HydrophobicContact CG2-CB 4.25Å; I47-F81 HydrophobicContact CG2-CD2 3.94Å; I47-F81 HydrophobicContact CG2-CG 4.43Å; V48-F81 CarbonylContact O-C 3.25Å; V48-F81 WeakPolarHBondContact O-CA 3.31Å; V48-F81 WeakPolarHBondContact O-CB 2.95Å; V49-F81 HydrophobicContact CG2-CB 4.13Å; F81-I83 HydrophobicContact CE2-CG1 4.34Å |
| 82 | S | 84.8 | Confident | 67.6 | Low | 43 Ų | 43 | 84 Ų | 84 | 30% | 0.301 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 166.2 | 167.8 | 59 | 0 | 0 | 0 | 0 | 110.9 | V48 H50 | V48-S82 PolarHBondContact N-O 3.22Å; V48-S82 PolarHBondContact O-N 3.32Å; H50-S82 PolarHBondContact CE1-N 2.96Å; H50-S82 PolarHBondContact CE1-OG 3Å; H50-S82 VanDerWaalsContact CE1-OG 3.25Å; H50-S82 PolarHBondContact NE2-OG 2.79Å |
| 83 | I | 81.3 | Confident | 64.6 | Low | 86 Ų | 86 | 85.1 Ų | 85.1 | 44% | 0.441 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 119.6 | 171.9 | -62.1 | 166.7 | 0 | 0 | 0 | 106.5 | L41 D45 R46 F81 | L41-I83 HydrophobicContact CD2-CB 4.39Å; L41-I83 HydrophobicContact CD2-CD1 3.89Å; L41-I83 HydrophobicContact CD2-CG1 3.98Å; L41-I83 HydrophobicContact CD2-CG2 3.5Å; D45-I83 HydrophobicContact CB-CG2 3.98Å; R46-I83 WeakPolarHBondContact O-CA 3.3Å; F81-I83 HydrophobicContact CE2-CG1 4.34Å |
| 84 | A | 75.4 | Confident | 61.8 | Low | 42 Ų | 42 | 86.6 Ų | 86.6 | 35% | 0.347 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 111.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | R46 V48 | R46-A84 PolarHBondContact N-O 2.87Å; R46-A84 PolarHBondContact O-N 3.34Å; V48-A84 HydrophobicContact CG2-CB 4.21Å |
| 85 | T | 61.6 | Low | 59.4 | Low | 93 Ų | 93 | 83.1 Ų | 83.1 | 57% | 0.571 | 48% | 0.477 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 129.2 | 178.2 | -51 | 0 | 0 | 0 | 0 | 111 | Q44 D45 S87 | Q44-T85 HydrophobicContact CB-CG2 4.2Å; D45-T85 WeakPolarHBondContact OD1-CA 2.98Å; D45-T85 VanDerWaalsContact OD1-CB 3.29Å; D45-T85 WeakPolarHBondContact OD1-CB 3Å; D45-T85 WeakPolarHBondContact OD1-CG2 3.46Å; D45-T85 PolarHBondContact OD1-OG1 3Å; T85-S87 PolarHBondContact O-N 2.88Å; T85-S87 VanDerWaalsContact O-N 3.12Å |
| 86 | L | 51.8 | Low | 56.6 | Low | 68 Ų | 68 | 89.4 Ų | 89.4 | 36% | 0.356 | 51% | 0.511 | S | S | . | . | trans | -65.6 | 109.8 | 171 | -105.3 | 67.7 | 0 | 0 | 0 | 110.7 | Q44 R46 N88 | Q44-L86 HydrophobicContact CB-CB 4.04Å; Q44-L86 HydrophobicContact CG-CB 4.29Å; Q44-L86 WeakPolarHBondContact O-CB 3.38Å; Q44-L86 PolarHBondContact O-N 3.26Å; R46-L86 HydrophobicContact CG-CD1 4Å; L86-N88 PolarHBondContact O-N 2.75Å; L86-N88 VanDerWaalsContact O-N 3.12Å | ||
| 87 | S | 41.5 | Very low | 53.7 | Low | 101 Ų | 101 | 97.9 Ų | 97.9 | 71% | 0.706 | 54% | 0.54 | S | S | * | . | trans | -63.4 | 107.8 | 164.2 | -178.7 | 0 | 0 | 0 | 0 | 109.4 | T85 N89 | T85-S87 PolarHBondContact O-N 2.88Å; T85-S87 VanDerWaalsContact O-N 3.12Å; S87-N89 VanDerWaalsContact C-N 3.3Å; S87-N89 PolarHBondContact O-N 3.2Å | ||
| 88 | N | 29.2 | Very low | 50.4 | Low | 107 Ų | 107 | 103 Ų | 103 | 57% | 0.572 | 57% | 0.573 | S | S | * | * | trans | -71.1 | 82.3 | 175.3 | -78.6 | -27.1 | 0 | 0 | 0 | 111.2 | Q44 L86 | Q44-N88 PolarHBondContact NE2-ND2 3.31Å; Q44-N88 PolarHBondContact OE1-ND2 3.47Å; L86-N88 PolarHBondContact O-N 2.75Å; L86-N88 VanDerWaalsContact O-N 3.12Å | ||
| 89 | N | 27.6 | Very low | 47.1 | Very low | 109 Ų | 109 | 106.8 Ų | 106.8 | 58% | 0.583 | 60% | 0.602 | S | S | * | * | trans | -143.8 | 146.3 | 160.3 | -87.1 | -65.2 | 0 | 0 | 0 | 110.2 | S87 | S87-N89 VanDerWaalsContact C-N 3.3Å; S87-N89 PolarHBondContact O-N 3.2Å | ||
| 90 | V | 28.7 | Very low | 43.9 | Very low | 126 Ų | 126 | 112.8 Ų | 112.8 | 76% | 0.764 | 64% | 0.638 | S | S | * | * | trans | 68.1 | 111.5 | 179.1 | -172.3 | 0 | 0 | 0 | 0 | 114.9 | D92 | V90-D92 HydrophobicContact CG1-CB 4.27Å; V90-D92 PolarHBondContact O-N 3.37Å | ||
| 91 | K | 26.2 | Very low | 40.9 | Very low | 198 Ų | 198 | 111.3 Ų | 111.3 | 86% | 0.861 | 65% | 0.647 | S | S | * | * | trans | -70.7 | 113.2 | 147.2 | -69 | 174.5 | 177.5 | 177.5 | 0 | 106.4 | ||||
| 92 | D | 25.6 | Very low | 37.9 | Very low | 143 Ų | 143 | 116.1 Ų | 116.1 | 77% | 0.765 | 68% | 0.675 | S | S | * | * | trans | 172.4 | 157.1 | 147.5 | -89.7 | -22.8 | 0 | 0 | 0 | 111 | V90 | V90-D92 HydrophobicContact CG1-CB 4.27Å; V90-D92 PolarHBondContact O-N 3.37Å | ||
| 93 | S | 26.8 | Very low | 35.1 | Very low | 114 Ų | 114 | 118.7 Ų | 118.7 | 80% | 0.797 | 69% | 0.685 | S | S | * | * | trans | 50.4 | 81.2 | 159.1 | -58.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 94 | C | 24.8 | Very low | 32.6 | Very low | 117 Ų | 117 | 119.2 Ų | 119.2 | 79% | 0.791 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 139 | 141.7 | -70.3 | 0 | 0 | 0 | 0 | 108.6 | N96 | C94-N96 PolarHBondContact O-N 3.08Š|
| 95 | P | 26.9 | Very low | 30.5 | Very low | 125 Ų | 125 | 123 Ų | 123 | 81% | 0.812 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 129.3 | 177 | 26.2 | -33.4 | 0 | 0 | 0 | 110.3 | R97 | P95-R97 PolarHBondContact O-N 3.47Å; P95-R97 VanDerWaalsContact O-N 3.16Å |
| 96 | N | 26 | Very low | 28.8 | Very low | 160 Ų | 160 | 126.1 Ų | 126.1 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 116.1 | 177.9 | -76.9 | -47 | 0 | 0 | 0 | 110.2 | C94 P98 | C94-N96 PolarHBondContact O-N 3.08Å; N96-P98 WeakPolarHBondContact O-CD 2.99Å |
| 97 | R | 28.7 | Very low | 27.8 | Very low | 233 Ų | 233 | 130.7 Ų | 130.7 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 116.5 | 171.2 | -176.3 | -177.7 | -176.7 | -153.9 | 0.4 | 108.7 | P95 | P95-R97 PolarHBondContact O-N 3.47Å; P95-R97 VanDerWaalsContact O-N 3.16Å |
| 98 | P | 24.4 | Very low | 27.4 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -65 | 140.6 | 178.5 | 27.3 | -33.9 | 0 | 0 | 0 | 110.6 | N96 | N96-P98 WeakPolarHBondContact O-CD 2.99Š|
| 99 | S | 22.9 | Very low | 27.7 | Very low | 121 Ų | 121 | 127.2 Ų | 127.2 | 85% | 0.846 | 71% | 0.711 | S | S | * | * | trans | -113.2 | 63.6 | -176.9 | 62.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 100 | T | 26.8 | Very low | 28.3 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 79% | 0.785 | 72% | 0.719 | S | S | * | * | trans | -136.9 | 154.8 | 172.1 | 44.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 101 | G | 26.7 | Very low | 29.6 | Very low | 61 Ų | 61 | 124.3 Ų | 124.3 | 63% | 0.629 | 70% | 0.702 | S | S | * | * | trans | -88 | -177.8 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | D103 | G101-D103 PolarHBondContact O-N 3.34Å; G101-D103 VanDerWaalsContact O-N 3.15Å | ||
| 102 | L | 27.9 | Very low | 31.4 | Very low | 156 Ų | 156 | 117.9 Ų | 117.9 | 82% | 0.817 | 68% | 0.68 | S | S | * | * | S | Bend | trans | 74.9 | -46.3 | 164.1 | -54.9 | 177.6 | 0 | 0 | 0 | 119 | S104 | L102-S104 VanDerWaalsContact C-N 3.32Å; L102-S104 PolarHBondContact O-N 2.86Å |
| 103 | D | 26.6 | Very low | 33.7 | Very low | 97 Ų | 97 | 112.1 Ų | 112.1 | 52% | 0.519 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -76.1 | -5.1 | -169 | -70.7 | -44.1 | 0 | 0 | 0 | 116.7 | G101 I105 | G101-D103 PolarHBondContact O-N 3.34Å; G101-D103 VanDerWaalsContact O-N 3.15Å; D103-I105 PolarHBondContact O-N 2.94Å |
| 104 | S | 28.2 | Very low | 35.5 | Very low | 97 Ų | 97 | 110.3 Ų | 110.3 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -86.4 | 4.9 | -171.2 | -57.3 | 0 | 0 | 0 | 0 | 116.2 | L102 | L102-S104 VanDerWaalsContact C-N 3.32Å; L102-S104 PolarHBondContact O-N 2.86Å |
| 105 | I | 31.3 | Very low | 37.2 | Very low | 121 Ų | 121 | 106.5 Ų | 106.5 | 62% | 0.621 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -80.6 | -21.1 | -166.9 | -64.9 | 176.3 | 0 | 0 | 0 | 113.6 | D103 | D103-I105 PolarHBondContact O-N 2.94Š|
| 106 | F | 27 | Very low | 38.3 | Very low | 159 Ų | 159 | 104.3 Ų | 104.3 | 70% | 0.697 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -110 | 11.8 | -174.1 | -76.1 | -78.8 | 0 | 0 | 0 | 115.8 | ||
| 107 | Q | 29.8 | Very low | 39.3 | Very low | 164 Ų | 164 | 97.6 Ų | 97.6 | 77% | 0.766 | 55% | 0.552 | S | S | * | * | S | Bend | trans | -114.1 | 3.5 | 179.8 | -72.1 | -174.3 | -12.9 | 0 | 0 | 114.8 | T111 | Q107-T111 WeakPolarHBondContact O-CG2 3.36Š|
| 108 | S | 33.6 | Very low | 39.6 | Very low | 31 Ų | 31 | 90.2 Ų | 90.2 | 22% | 0.217 | 54% | 0.535 | C | S | . | . | trans | -72.3 | -35.4 | -176.8 | 48.7 | 0 | 0 | 0 | 0 | 114.5 | S110 T111 | S108-S110 PolarHBondContact O-N 3.44Å; S108-T111 PolarHBondContact O-N 2.97Å; S108-T111 VanDerWaalsContact O-N 3.14Å; S108-T111 PolarHBondContact O-OG1 3.21Å | ||
| 109 | L | 35.2 | Very low | 40 | Very low | 104 Ų | 104 | 89.7 Ų | 89.7 | 55% | 0.545 | 53% | 0.534 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.6 | -29.4 | -164.3 | -60 | 173.2 | 0 | 0 | 0 | 115.8 | D62 | D62-L109 WeakPolarHBondContact OD2-CD2 3.39Š|
| 110 | S | 40.3 | Very low | 40.2 | Very low | 110 Ų | 110 | 90 Ų | 90 | 77% | 0.769 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.2 | 11.2 | -174.1 | -49.4 | 0 | 0 | 0 | 0 | 113.9 | S108 | S108-S110 PolarHBondContact O-N 3.44Š|
| 111 | T | 55.7 | Low | 40.3 | Very low | 64 Ų | 64 | 89 Ų | 89 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | trans | -82.2 | 127.2 | -174.9 | 53.6 | 0 | 0 | 0 | 0 | 112.2 | W63 Q107 S108 | W63-T111 PolarHBondContact NE1-O 3.25Å; Q107-T111 WeakPolarHBondContact O-CG2 3.36Å; S108-T111 PolarHBondContact O-N 2.97Å; S108-T111 VanDerWaalsContact O-N 3.14Å; S108-T111 PolarHBondContact O-OG1 3.21Å | ||
| 112 | P | 64.6 | Low | 40.2 | Very low | 63 Ų | 63 | 91.4 Ų | 91.4 | 41% | 0.409 | 54% | 0.538 | S | S | . | . | trans | -73.5 | 134.9 | 179.6 | 29.8 | -35.4 | 0 | 0 | 0 | 111.5 | V48 V49 V114 | V48-P112 HydrophobicContact CG1-CB 3.78Å; V48-P112 HydrophobicContact CG1-CG 4.41Å; V49-P112 CarbonylContact O-C 3.52Å; V49-P112 WeakPolarHBondContact O-CA 3.07Å; P112-V114 PolarHBondContact O-N 3.26Å | ||
| 113 | L | 74 | Confident | 40.2 | Very low | 22 Ų | 22 | 91.7 Ų | 91.7 | 12% | 0.115 | 54% | 0.54 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 93.2 | 177.5 | -171.7 | 72.8 | 0 | 0 | 0 | 110.7 | R24 T27 L28 V49 W63 V115 | R24-L113 HydrophobicContact CG-CD1 4.2Å; T27-L113 HydrophobicContact CG2-CD2 3.6Å; L28-L113 HydrophobicContact CD2-CD2 4.1Å; L28-L113 HydrophobicContact CG-CD2 4.21Å; V49-L113 HydrophobicContact CB-CB 4.45Å; V49-L113 PolarHBondContact N-O 3.42Å; V49-L113 PolarHBondContact O-N 3.3Å; W63-L113 HydrophobicContact CE3-CB 4.49Å; W63-L113 HydrophobicContact CH2-CB 3.53Å; W63-L113 HydrophobicContact CH2-CD2 4.36Å; W63-L113 HydrophobicContact CZ2-CB 3.89Å; W63-L113 HydrophobicContact CZ3-CB 3.88Å; W63-L113 HydrophobicContact CZ3-CD2 3.92Å; W63-L113 HydrophobicContact CZ3-CG 4.49Å; L113-V115 HydrophobicContact CG-CG2 4.38Å |
| 114 | V | 64.3 | Low | 40.1 | Very low | 76 Ų | 76 | 94.5 Ų | 94.5 | 46% | 0.461 | 55% | 0.55 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 130.3 | 172.7 | -177.1 | 0 | 0 | 0 | 0 | 110.4 | V48 P112 | V48-V114 HydrophobicContact CG1-CG2 4.08Å; V48-V114 HydrophobicContact CG2-CG1 4.31Å; V48-V114 HydrophobicContact CG2-CG2 4.12Å; P112-V114 PolarHBondContact O-N 3.26Å |
| 115 | V | 61.3 | Low | 39.9 | Very low | 38 Ų | 38 | 95 Ų | 95 | 23% | 0.23 | 55% | 0.551 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -128.3 | 119.5 | 173.2 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | L28 L31 I47 L113 | L28-V115 HydrophobicContact CD2-CG2 3.84Å; L31-V115 HydrophobicContact CD1-CB 4.21Å; L31-V115 HydrophobicContact CD1-CG2 3.62Å; I47-V115 PolarHBondContact N-O 2.76Å; I47-V115 PolarHBondContact O-N 2.71Å; L113-V115 HydrophobicContact CG-CG2 4.38Å |
| 116 | D | 48.3 | Very low | 39.5 | Very low | 78 Ų | 78 | 91.5 Ų | 91.5 | 42% | 0.417 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 129.1 | 170.8 | -102.8 | -52.5 | 0 | 0 | 0 | 111.8 | R46 C118 | R46-D116 IonicContact CZ-OD1 3.95Å; R46-D116 IonicContact CZ-OD2 3.17Å; R46-D116 VanDerWaalsContact NE-CG 3.3Å; R46-D116 IonicContact NE-OD1 3.54Å; R46-D116 PolarHBondContact NE-OD1 2.79Å; R46-D116 IonicContact NE-OD2 3.51Å; R46-D116 PolarHBondContact NE-OD2 2.92Å; R46-D116 VanDerWaalsContact NH2-CG 3.33Å; R46-D116 IonicContact NH2-OD1 3.88Å; R46-D116 PolarHBondContact NH2-OD1 2.76Å; R46-D116 IonicContact NH2-OD2 3.15Å; R46-D116 PolarHBondContact NH2-OD2 2.81Å; D116-C118 VanDerWaalsContact C-N 3.31Å |
| 117 | L | 47.9 | Very low | 39.5 | Very low | 20 Ų | 20 | 91.2 Ų | 91.2 | 11% | 0.105 | 54% | 0.536 | C | S | . | . | S | Bend | trans | -84.4 | -9.5 | 174.8 | -57.5 | -175.7 | 0 | 0 | 0 | 113 | R35 L41 D45 I47 | R35-L117 PolarHBondContact NH2-O 3.22Å; L41-L117 HydrophobicContact CB-CD1 3.77Å; L41-L117 HydrophobicContact CD1-CD1 3.8Å; L41-L117 HydrophobicContact CD2-CD1 4.06Å; L41-L117 HydrophobicContact CG-CD1 4.09Å; D45-L117 HydrophobicContact CB-CD1 4.15Å; D45-L117 WeakPolarHBondContact O-CB 3.46Å; D45-L117 VanDerWaalsContact O-CD1 3.25Å; D45-L117 WeakPolarHBondContact O-CD1 3.36Å; D45-L117 WeakPolarHBondContact O-CG 3.49Å; I47-L117 HydrophobicContact CD1-CD2 4.01Å; I47-L117 HydrophobicContact CG1-CD1 4.29Å; I47-L117 HydrophobicContact CG1-CD2 4.13Å |
| 118 | C | 35 | Very low | 39.4 | Very low | 78 Ų | 78 | 89.2 Ų | 89.2 | 53% | 0.527 | 53% | 0.526 | S | S | . | . | trans | -106.3 | 67.4 | -168.6 | -137.4 | 0 | 0 | 0 | 0 | 112.3 | P43 D116 | P43-C118 WeakPolarHBondContact O-CB 3.5Å; P43-C118 PolarHBondContact O-SG 2.82Å; D116-C118 VanDerWaalsContact C-N 3.31Å | ||
| 119 | S | 32.6 | Very low | 38.9 | Very low | 96 Ų | 96 | 91.4 Ų | 91.4 | 67% | 0.671 | 54% | 0.541 | S | S | * | . | trans | -151.9 | 30 | 176.2 | -74.5 | 0 | 0 | 0 | 0 | 114.4 | S121 | S119-S121 PolarHBondContact O-N 2.84Š| ||
| 120 | D | 27.9 | Very low | 38.3 | Very low | 128 Ų | 128 | 91.3 Ų | 91.3 | 68% | 0.684 | 55% | 0.547 | S | S | * | . | trans | -81.3 | 52 | 167.6 | -74.8 | -17.4 | 0 | 0 | 0 | 111.7 | R35 | R35-D120 IonicContact CZ-OD1 2.75Å; R35-D120 IonicContact CZ-OD2 3.54Å; R35-D120 IonicContact NH1-OD1 3.55Å; R35-D120 PolarHBondContact NH1-OD1 2.63Å; R35-D120 IonicContact NH1-OD2 3.21Å; R35-D120 PolarHBondContact NH1-OD2 3.38Å; R35-D120 VanDerWaalsContact NH2-CG 3.26Å; R35-D120 IonicContact NH2-OD1 3.36Å; R35-D120 IonicContact NH2-OD2 2.9Å; R35-D120 PolarHBondContact NH2-OD2 3.41Å | ||
| 121 | S | 27.6 | Very low | 37.6 | Very low | 105 Ų | 105 | 92.5 Ų | 92.5 | 73% | 0.734 | 54% | 0.543 | S | S | * | . | S | Bend | trans | -121.7 | 135 | 170.7 | -72.4 | 0 | 0 | 0 | 0 | 108.5 | S119 L123 | S119-S121 PolarHBondContact O-N 2.84Å; S121-L123 PolarHBondContact O-N 2.91Å |
| 122 | A | 25.3 | Very low | 36.1 | Very low | 112 Ų | 112 | 96.5 Ų | 96.5 | 93% | 0.926 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -70.9 | 91.1 | -162.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 123 | L | 27.1 | Very low | 34.3 | Very low | 163 Ų | 163 | 98.1 Ų | 98.1 | 85% | 0.853 | 57% | 0.57 | S | S | * | * | trans | -147 | 105.5 | 165.3 | -101.2 | 166.8 | 0 | 0 | 0 | 109.9 | S121 | S121-L123 PolarHBondContact O-N 2.91Š| ||
| 124 | E | 25.5 | Very low | 32 | Very low | 156 Ų | 156 | 102.6 Ų | 102.6 | 73% | 0.729 | 60% | 0.603 | S | S | * | * | trans | -71.4 | 142 | 167.3 | -75.1 | -162.4 | 156.4 | 0 | 0 | 110.4 | S126 | E124-S126 PolarHBondContact O-N 3.05Å; E124-S126 PolarHBondContact O-OG 3.1Å | ||
| 125 | P | 23 | Very low | 30.1 | Very low | 108 Ų | 108 | 102.2 Ų | 102.2 | 70% | 0.701 | 62% | 0.615 | S | S | * | * | trans | -70.5 | 62.5 | 154 | 33.5 | -34.5 | 0 | 0 | 0 | 109.3 | F127 | P125-F127 PolarHBondContact O-N 3.09Š| ||
| 126 | S | 24 | Very low | 28.5 | Very low | 46 Ų | 46 | 105.5 Ų | 105.5 | 32% | 0.322 | 65% | 0.646 | S | S | . | * | trans | -66.7 | 95.2 | -175.3 | 45.5 | 0 | 0 | 0 | 0 | 110.7 | E124 H128 R715 | E124-S126 PolarHBondContact O-N 3.05Å; E124-S126 PolarHBondContact O-OG 3.1Å; S126-H128 PolarHBondContact O-N 3.35Å; S126-R715 PolarHBondContact O-NH1 2.77Å | ||
| 127 | F | 25.7 | Very low | 27.4 | Very low | 153 Ų | 153 | 106.8 Ų | 106.8 | 67% | 0.671 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -69.4 | 76.9 | 169 | -91.4 | -110.6 | 0 | 0 | 0 | 109.9 | P125 R715 | P125-F127 PolarHBondContact O-N 3.09Å; F127-R715 HydrophobicContact CD1-CB 3.64Å; F127-R715 HydrophobicContact CD1-CG 3.72Å; F127-R715 HydrophobicContact CD2-CG 4.45Å; F127-R715 VanDerWaalsContact CD2-NE 3.27Å; F127-R715 HydrophobicContact CE1-CB 3.61Å; F127-R715 HydrophobicContact CE1-CG 3.46Å; F127-R715 VanDerWaalsContact CE1-CG 3.46Å; F127-R715 HydrophobicContact CE2-CG 4.23Å; F127-R715 HydrophobicContact CG-CB 4.46Å; F127-R715 HydrophobicContact CG-CG 4.22Å; F127-R715 HydrophobicContact CZ-CB 4.38Å; F127-R715 HydrophobicContact CZ-CG 3.74Å |
| 128 | H | 27.7 | Very low | 26.2 | Very low | 123 Ų | 123 | 113.6 Ų | 113.6 | 57% | 0.569 | 69% | 0.692 | S | S | * | * | trans | 43.7 | 93.9 | 179.4 | -69.7 | -75 | 0 | 0 | 0 | 117.9 | S126 | S126-H128 PolarHBondContact O-N 3.35Š| ||
| 129 | S | 24.1 | Very low | 25.8 | Very low | 77 Ų | 77 | 117.2 Ų | 117.2 | 54% | 0.538 | 70% | 0.699 | S | S | . | * | trans | -55.8 | 147.6 | 152.5 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | I131 | S129-I131 PolarHBondContact O-N 3.01Š| ||
| 130 | P | 23.3 | Very low | 25.6 | Very low | 101 Ų | 101 | 122.9 Ų | 122.9 | 66% | 0.656 | 71% | 0.706 | S | S | * | * | trans | -80.4 | 91.3 | -176.6 | 32.4 | -35.5 | 0 | 0 | 0 | 110.7 | Q132 K1844 | P130-Q132 PolarHBondContact O-N 2.84Å; P130-K1844 WeakPolarHBondContact O-CE 3.44Å; P130-K1844 PolarHBondContact O-NZ 2.76Å | ||
| 131 | I | 24.9 | Very low | 25.5 | Very low | 135 Ų | 135 | 123.7 Ų | 123.7 | 69% | 0.692 | 71% | 0.71 | S | S | * | * | trans | -45.2 | 135.5 | -179 | -64.9 | 176.6 | 0 | 0 | 0 | 111.9 | S129 K1844 | S129-I131 PolarHBondContact O-N 3.01Å; I131-K1844 PolarHBondContact O-NZ 3.19Å | ||
| 132 | Q | 24.9 | Very low | 25.5 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 70% | 0.696 | 72% | 0.717 | S | S | * | * | trans | -134.5 | 89.8 | -166.5 | -167.5 | 167.5 | -17 | 0 | 0 | 113.5 | P130 K1844 | P130-Q132 PolarHBondContact O-N 2.84Å; Q132-K1844 VanDerWaalsContact CB-NZ 3.34Å; Q132-K1844 HydrophobicContact CG-CD 4.42Å | ||
| 133 | S | 25.7 | Very low | 25.6 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 67% | 0.671 | 70% | 0.704 | S | S | * | * | trans | -118.4 | 125.1 | 161 | 33.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 134 | S | 25.6 | Very low | 25.6 | Very low | 116 Ų | 116 | 122.1 Ų | 122.1 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | cis | 95.5 | 144.2 | 48.5 | 70.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 135 | G | 25.7 | Very low | 25.7 | Very low | 68 Ų | 68 | 121.1 Ų | 121.1 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | 87.5 | 121.1 | -153.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 136 | A | 26.1 | Very low | 26 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 88% | 0.884 | 71% | 0.708 | S | S | * | * | cis | 62.9 | 130.7 | 39.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 137 | S | 25.4 | Very low | 26 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | cis | -139.5 | 148.3 | 2 | 58.3 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 138 | E | 24.3 | Very low | 26.6 | Very low | 163 Ų | 163 | 123.6 Ų | 123.6 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | 68.1 | 148.8 | 85 | -144.5 | 177.6 | -137.5 | 0 | 0 | 115.2 | |||||
| 139 | F | 25.8 | Very low | 26.5 | Very low | 154 Ų | 154 | 123.7 Ų | 123.7 | 68% | 0.675 | 74% | 0.743 | S | S | * | * | trans | 70.5 | 122.3 | 174.7 | -73.8 | -84.1 | 0 | 0 | 0 | 121.9 | ||||
| 140 | R | 28.2 | Very low | 26.5 | Very low | 215 Ų | 215 | 126.1 Ų | 126.1 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | 69.8 | 130.7 | 147.5 | -69 | 166.2 | 177.6 | 172.3 | -0.7 | 117.8 | ||||
| 141 | D | 25.6 | Very low | 26.7 | Very low | 145 Ų | 145 | 124.7 Ų | 124.7 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | cis | 69.7 | 116.2 | 47 | -77.2 | -45.5 | 0 | 0 | 0 | 115.7 | ||||
| 142 | S | 27 | Very low | 26.7 | Very low | 124 Ų | 124 | 126.4 Ų | 126.4 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | trans | 65.8 | 130.6 | 150.2 | -59.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 143 | G | 28.4 | Very low | 26.8 | Very low | 65 Ų | 65 | 122.4 Ų | 122.4 | 67% | 0.67 | 77% | 0.77 | S | S | * | * | trans | 113.6 | 105.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 144 | L | 27 | Very low | 26.9 | Very low | 159 Ų | 159 | 124.4 Ų | 124.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | 66.9 | 118.6 | 65.6 | -64.9 | 173.5 | 0 | 0 | 0 | 114.2 | |||||
| 145 | N | 26.6 | Very low | 26.9 | Very low | 135 Ų | 135 | 128 Ų | 128 | 72% | 0.722 | 77% | 0.769 | S | S | * | * | trans | 78 | 137.2 | 142 | -69.3 | -22.1 | 0 | 0 | 0 | 121.7 | ||||
| 146 | L | 29.4 | Very low | 27.2 | Very low | 152 Ų | 152 | 132 Ų | 132 | 80% | 0.796 | 77% | 0.769 | S | S | * | * | trans | 63 | 110.8 | 147 | -88 | 76.2 | 0 | 0 | 0 | 120.4 | ||||
| 147 | A | 24.5 | Very low | 27.2 | Very low | 87 Ų | 87 | 131.2 Ų | 131.2 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | 66.7 | 149.1 | 114.7 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 148 | P | 38.2 | Very low | 27.1 | Very low | 120 Ų | 120 | 132.1 Ų | 132.1 | 78% | 0.779 | 75% | 0.749 | S | S | * | * | trans | -82.1 | 161 | -175.5 | 37.1 | -38.5 | 0 | 0 | 0 | 112.5 | ||||
| 149 | P | 26 | Very low | 27.5 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | -152 | -177.4 | 97.4 | 41.7 | -24.6 | 0 | 0 | 0 | 116.7 | |||||
| 150 | C | 23.4 | Very low | 27.5 | Very low | 128 Ų | 128 | 131.6 Ų | 131.6 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | -53.7 | 158.1 | 169.6 | -42.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 151 | G | 27.1 | Very low | 27.5 | Very low | 72 Ų | 72 | 124.6 Ų | 124.6 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -143.4 | -2.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 152 | I | 26.3 | Very low | 27.6 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 87% | 0.872 | 75% | 0.753 | S | S | * | * | trans | 62.1 | 125.7 | 161.2 | -56.6 | 158.6 | 0 | 0 | 0 | 119.3 | ||||
| 153 | G | 25.6 | Very low | 27.6 | Very low | 66 Ų | 66 | 126 Ų | 126 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | trans | 122.6 | 138.1 | 142.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 154 | L | 28.5 | Very low | 27.5 | Very low | 137 Ų | 137 | 127.2 Ų | 127.2 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | cis | -152.6 | 131 | -2.1 | -84.6 | 177 | 0 | 0 | 0 | 112.2 | ||||
| 155 | R | 24.7 | Very low | 27.5 | Very low | 193 Ų | 193 | 124 Ų | 124 | 73% | 0.728 | 74% | 0.737 | S | S | * | * | trans | 66.6 | 150.8 | 152.2 | -59.8 | 171.6 | -167.9 | -70.8 | -5.2 | 116.5 | ||||
| 156 | Q | 32.8 | Very low | 27.4 | Very low | 152 Ų | 152 | 127.7 Ų | 127.7 | 71% | 0.71 | 74% | 0.741 | S | S | * | * | cis | -129.8 | 127.9 | 4.3 | -155 | 101.8 | -23.7 | 0 | 0 | 104.6 | ||||
| 157 | T | 25.8 | Very low | 27.2 | Very low | 89 Ų | 89 | 126.8 Ų | 126.8 | 55% | 0.546 | 74% | 0.737 | S | S | . | * | 50.6 | 130.9 | 62.2 | 90.6 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 158 | D | 24.7 | Very low | 27.2 | Very low | 124 Ų | 124 | 129 Ų | 129 | 66% | 0.663 | 74% | 0.736 | S | S | * | * | cis | -158.5 | 173.1 | 30.8 | -86.9 | -69.6 | 0 | 0 | 0 | 113.7 | ||||
| 159 | I | 32.3 | Very low | 26.6 | Very low | 149 Ų | 149 | 133.2 Ų | 133.2 | 76% | 0.764 | 74% | 0.736 | S | S | * | * | trans | 76.6 | 113.7 | 162.7 | -56 | 126.8 | 0 | 0 | 0 | 116 | ||||
| 160 | N | 24.6 | Very low | 26.5 | Very low | 157 Ų | 157 | 134.9 Ų | 134.9 | 84% | 0.84 | 74% | 0.736 | S | S | * | * | cis | 75 | 92.2 | 41.7 | -66.7 | -43.5 | 0 | 0 | 0 | 116.6 | ||||
| 161 | G | 28.5 | Very low | 26.6 | Very low | 68 Ų | 68 | 131.5 Ų | 131.5 | 70% | 0.701 | 72% | 0.723 | S | S | * | * | trans | 161.6 | 131.3 | 164.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 162 | H | 28.9 | Very low | 26.4 | Very low | 170 Ų | 170 | 135.9 Ų | 135.9 | 79% | 0.787 | 73% | 0.729 | S | S | * | * | cis | -153.8 | 154.8 | -3.8 | -110.3 | -64.8 | 0 | 0 | 0 | 109.9 | ||||
| 163 | I | 27.3 | Very low | 26.2 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 67% | 0.667 | 72% | 0.722 | S | S | * | * | trans | 47.4 | 92.7 | 146.8 | -57.9 | 159.9 | 0 | 0 | 0 | 114.6 | ||||
| 164 | A | 25.7 | Very low | 26 | Very low | 89 Ų | 89 | 133 Ų | 133 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | 60.3 | 163.2 | 55.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 165 | S | 25.8 | Very low | 25.7 | Very low | 92 Ų | 92 | 132.3 Ų | 132.3 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | 67.9 | 145.7 | 166.2 | 44.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 166 | R | 26 | Very low | 25.6 | Very low | 212 Ų | 212 | 128 Ų | 128 | 80% | 0.8 | 73% | 0.726 | S | S | * | * | cis | -167.6 | 148.9 | -3.2 | -112.8 | 163.5 | -174 | 173.8 | 1.3 | 109.8 | ||||
| 167 | L | 24.9 | Very low | 25.2 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | trans | 59.5 | 122.8 | 140.2 | -61.4 | 166 | 0 | 0 | 0 | 118.5 | ||||
| 168 | L | 24.9 | Very low | 25.3 | Very low | 134 Ų | 134 | 126 Ų | 126 | 70% | 0.702 | 73% | 0.733 | S | S | * | * | 66.2 | 107.7 | 71.3 | -153.1 | -175.5 | 0 | 0 | 0 | 112.5 | |||||
| 169 | R | 23.9 | Very low | 25.3 | Very low | 208 Ų | 208 | 127.1 Ų | 127.1 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | trans | 142.7 | 133.6 | 144.5 | -82.9 | 175.6 | -165.5 | -88.8 | -2.1 | 113.9 | ||||
| 170 | I | 25.1 | Very low | 25.1 | Very low | 159 Ų | 159 | 127.9 Ų | 127.9 | 82% | 0.815 | 74% | 0.743 | S | S | * | * | trans | 65.2 | 137 | 149 | -57.1 | 159 | 0 | 0 | 0 | 115.5 | ||||
| 171 | G | 24.8 | Very low | 25.2 | Very low | 56 Ų | 56 | 124.5 Ų | 124.5 | 58% | 0.577 | 73% | 0.732 | S | S | * | * | cis | 144.4 | 152.2 | -3.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G173 | G171-G173 PolarHBondContact O-N 3.37Š| ||
| 172 | D | 22.8 | Very low | 25.3 | Very low | 165 Ų | 165 | 128.8 Ų | 128.8 | 88% | 0.882 | 74% | 0.738 | S | S | * | * | trans | 49.7 | 56 | 150 | -48.7 | -20.9 | 0 | 0 | 0 | 119.8 | ||||
| 173 | G | 23.2 | Very low | 25.1 | Very low | 70 Ų | 70 | 127.1 Ų | 127.1 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | trans | 65 | -152.3 | 140.6 | 0 | 0 | 0 | 0 | 0 | 119.5 | G171 | G171-G173 PolarHBondContact O-N 3.37Š| ||
| 174 | S | 21.5 | Very low | 25.3 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | 64.7 | 121.9 | 179.6 | 60.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 175 | T | 22 | Very low | 25.4 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | trans | 57.4 | 101.3 | 139.2 | 59 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 176 | S | 23.1 | Very low | 25.5 | Very low | 102 Ų | 102 | 129.9 Ų | 129.9 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | 55.7 | 140.6 | 121.1 | 69.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 177 | S | 24.6 | Very low | 25.6 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 75% | 0.748 | 73% | 0.731 | S | S | * | * | trans | 89.4 | 160.1 | 137.6 | 82.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 178 | S | 26.1 | Very low | 25.8 | Very low | 94 Ų | 94 | 123.7 Ų | 123.7 | 66% | 0.657 | 73% | 0.728 | S | S | * | * | trans | 67.4 | 100.6 | 166.2 | 50.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 179 | N | 26.1 | Very low | 26.1 | Very low | 147 Ų | 147 | 123 Ų | 123 | 79% | 0.786 | 73% | 0.733 | S | S | * | * | 50.5 | 146.9 | 107 | -62.1 | -31.4 | 0 | 0 | 0 | 121.1 | |||||
| 180 | L | 27.6 | Very low | 26.4 | Very low | 165 Ų | 165 | 116.4 Ų | 116.4 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | trans | 110.8 | 123.1 | 161.9 | -59.9 | 161.7 | 0 | 0 | 0 | 113.2 | ||||
| 181 | S | 27 | Very low | 26.6 | Very low | 86 Ų | 86 | 116.8 Ų | 116.8 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | cis | -163.2 | 151.3 | -10 | -72.8 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 182 | L | 29.3 | Very low | 26.6 | Very low | 157 Ų | 157 | 121.1 Ų | 121.1 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | 63.3 | 114.4 | 169.6 | -42.9 | 176.2 | 0 | 0 | 0 | 115 | ||||
| 183 | N | 25.2 | Very low | 26.7 | Very low | 135 Ų | 135 | 121.3 Ų | 121.3 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | S | Bend | cis | -164.1 | 150.2 | -0.8 | -118.7 | 7.6 | 0 | 0 | 0 | 106.8 | ||
| 184 | L | 30.9 | Very low | 27.4 | Very low | 147 Ų | 147 | 122.8 Ų | 122.8 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | cis | -129.6 | -171.4 | 8.9 | -96.2 | 172.1 | 0 | 0 | 0 | 111.5 | ||||
| 185 | S | 28 | Very low | 27.5 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 62% | 0.622 | 74% | 0.736 | S | S | * | * | trans | -68.4 | 158.9 | 178 | 53.8 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 186 | N | 28.5 | Very low | 27.6 | Very low | 133 Ų | 133 | 123 Ų | 123 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | -166.7 | 149.8 | -8.9 | -113.9 | 43.1 | 0 | 0 | 0 | 110.4 | ||||
| 187 | D | 28.2 | Very low | 27.6 | Very low | 126 Ų | 126 | 121.8 Ų | 121.8 | 67% | 0.674 | 73% | 0.732 | S | S | * | * | trans | 32.5 | 154.4 | 132.8 | -69.2 | -51.9 | 0 | 0 | 0 | 124.6 | ||||
| 188 | S | 30.1 | Very low | 27.6 | Very low | 90 Ų | 90 | 124.7 Ų | 124.7 | 63% | 0.629 | 73% | 0.733 | S | S | * | * | cis | -175.5 | 146.8 | -24.6 | -107.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 189 | C | 31 | Very low | 27.4 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 80% | 0.804 | 74% | 0.737 | S | S | * | * | trans | 30.7 | 136.4 | 136.6 | -46.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 190 | G | 30.1 | Very low | 27.4 | Very low | 70 Ų | 70 | 123.9 Ų | 123.9 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 134.8 | 114.2 | 147 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 191 | L | 28.3 | Very low | 27.4 | Very low | 168 Ų | 168 | 123.8 Ų | 123.8 | 88% | 0.88 | 73% | 0.729 | S | S | * | * | 95.4 | 150.8 | 60.5 | -94.8 | 172.3 | 0 | 0 | 0 | 114 | |||||
| 192 | H | 26 | Very low | 27.4 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 68% | 0.681 | 74% | 0.739 | S | S | * | * | trans | 76.2 | 97 | 173.3 | -85.6 | -92.2 | 0 | 0 | 0 | 120.7 | ||||
| 193 | Q | 24.9 | Very low | 27.7 | Very low | 168 Ų | 168 | 126.7 Ų | 126.7 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | 76.9 | 158.1 | 122.1 | -80.1 | -177.7 | -36.6 | 0 | 0 | 121.2 | |||||
| 194 | P | 36.8 | Very low | 28 | Very low | 102 Ų | 102 | 123.2 Ų | 123.2 | 66% | 0.662 | 73% | 0.733 | S | S | * | * | trans | -104.4 | -169.5 | -162.8 | 42 | -36.5 | 0 | 0 | 0 | 114.2 | ||||
| 195 | N | 23.1 | Very low | 28.2 | Very low | 159 Ų | 159 | 122.8 Ų | 122.8 | 85% | 0.85 | 73% | 0.731 | S | S | * | * | trans | 85.6 | 149.7 | 176.9 | -43.7 | -65.2 | 0 | 0 | 0 | 115.2 | ||||
| 196 | G | 24 | Very low | 28.2 | Very low | 71 Ų | 71 | 125.2 Ų | 125.2 | 73% | 0.732 | 74% | 0.736 | S | S | * | * | trans | 81.4 | 110.8 | -176 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 197 | A | 23.8 | Very low | 28.2 | Very low | 78 Ų | 78 | 125.7 Ų | 125.7 | 65% | 0.645 | 73% | 0.734 | S | S | * | * | cis | 58.8 | 127.4 | 20.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 198 | H | 24.3 | Very low | 27.9 | Very low | 168 Ų | 168 | 126 Ų | 126 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | trans | 69.7 | 145.4 | 178.6 | -45.8 | -74.7 | 0 | 0 | 0 | 114.4 | ||||
| 199 | T | 23.1 | Very low | 27.6 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | cis | -166.5 | 166.9 | -6.1 | 12.7 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 200 | S | 25.4 | Very low | 27.1 | Very low | 104 Ų | 104 | 132.8 Ų | 132.8 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 76.1 | 148 | 157.7 | 86.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 201 | Q | 27 | Very low | 26.8 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | cis | -156 | 111.5 | -1 | -141 | 162.7 | -4.6 | 0 | 0 | 114.1 | ||||
| 202 | F | 27.7 | Very low | 26.5 | Very low | 184 Ų | 184 | 133.5 Ų | 133.5 | 81% | 0.807 | 72% | 0.719 | S | S | * | * | trans | 57.9 | 163.4 | 146.9 | -78.6 | -106 | 0 | 0 | 0 | 121.8 | ||||
| 203 | P | 35 | Very low | 26.3 | Very low | 121 Ų | 121 | 134 Ų | 134 | 79% | 0.786 | 72% | 0.721 | S | S | * | * | cis | -110.6 | 169.1 | -22.3 | 39.1 | -28.6 | 0 | 0 | 0 | 111 | ||||
| 204 | G | 32.9 | Very low | 26.2 | Very low | 62 Ų | 62 | 130.4 Ų | 130.4 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | cis | -173.2 | 160.1 | -4.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 205 | D | 33.4 | Very low | 25.5 | Very low | 137 Ų | 137 | 129.6 Ų | 129.6 | 73% | 0.733 | 71% | 0.712 | S | S | * | * | cis | -148.5 | 146.9 | 18 | -82.7 | -35.4 | 0 | 0 | 0 | 112.3 | ||||
| 206 | I | 28.4 | Very low | 25.8 | Very low | 141 Ų | 141 | 129.7 Ų | 129.7 | 72% | 0.723 | 71% | 0.706 | S | S | * | * | trans | 56.9 | 131.8 | 134.3 | -60.5 | 169.3 | 0 | 0 | 0 | 119.9 | ||||
| 207 | Q | 28.1 | Very low | 25.9 | Very low | 143 Ų | 143 | 132.2 Ų | 132.2 | 67% | 0.668 | 70% | 0.703 | S | S | * | * | cis | -158.5 | 146.6 | -15.7 | -103.4 | -175.2 | -68.2 | 0 | 0 | 105.5 | ||||
| 208 | E | 23.4 | Very low | 26.1 | Very low | 132 Ų | 132 | 132 Ų | 132 | 62% | 0.617 | 70% | 0.697 | S | S | * | * | 50.1 | 131.7 | 82.1 | -62.5 | -166.1 | 135.8 | 0 | 0 | 113.6 | |||||
| 209 | W | 22.9 | Very low | 26.2 | Very low | 192 Ų | 192 | 130.3 Ų | 130.3 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | cis | -166.5 | 165.4 | 20.8 | -114.3 | 0.1 | 0 | 0 | 0 | 113.4 | ||||
| 210 | F | 21.7 | Very low | 26.5 | Very low | 159 Ų | 159 | 130.3 Ų | 130.3 | 70% | 0.697 | 69% | 0.693 | S | S | * | * | trans | 34.4 | 144.8 | 140.5 | -78.9 | -117.2 | 0 | 0 | 0 | 123.2 | ||||
| 211 | L | 23.6 | Very low | 26.6 | Very low | 144 Ų | 144 | 129 Ų | 129 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | 74 | 159.8 | 142.2 | -80.9 | 165.2 | 0 | 0 | 0 | 119 | ||||
| 212 | N | 21.8 | Very low | 26.8 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 59% | 0.588 | 69% | 0.687 | S | S | * | * | trans | 64.5 | 111.3 | 165.4 | -77.9 | 38.7 | 0 | 0 | 0 | 115.7 | ||||
| 213 | E | 21.5 | Very low | 26.8 | Very low | 157 Ų | 157 | 126.1 Ų | 126.1 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | 69.7 | 139.7 | 76.1 | -73.3 | -172.4 | 131.9 | 0 | 0 | 111.9 | |||||
| 214 | S | 22.7 | Very low | 26.7 | Very low | 92 Ų | 92 | 122.3 Ų | 122.3 | 64% | 0.643 | 66% | 0.657 | S | S | * | * | trans | 55.7 | 100.2 | 147.8 | 71 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 215 | S | 23 | Very low | 26.5 | Very low | 86 Ų | 86 | 123 Ų | 123 | 60% | 0.601 | 65% | 0.645 | S | S | * | * | 86.9 | -173.1 | 95.8 | 73.7 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 216 | H | 27.8 | Very low | 26.2 | Very low | 160 Ų | 160 | 117.9 Ų | 117.9 | 74% | 0.741 | 62% | 0.619 | S | S | * | * | trans | 43.6 | 107.5 | 155.4 | -62.9 | -51.9 | 0 | 0 | 0 | 117.4 | ||||
| 217 | D | 26.2 | Very low | 26 | Very low | 125 Ų | 125 | 117.7 Ų | 117.7 | 67% | 0.668 | 61% | 0.613 | S | S | * | * | cis | -170.1 | -155.9 | 6.6 | -145 | -47.4 | 0 | 0 | 0 | 110.8 | ||||
| 218 | S | 28 | Very low | 25.9 | Very low | 73 Ų | 73 | 116.1 Ų | 116.1 | 51% | 0.51 | 61% | 0.613 | S | S | . | * | 0.3 | 139.1 | 120.4 | 103 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 219 | N | 27.3 | Very low | 26 | Very low | 133 Ų | 133 | 115.9 Ų | 115.9 | 71% | 0.711 | 62% | 0.616 | S | S | * | * | cis | -168.7 | 149.6 | 39.2 | -126 | -22.2 | 0 | 0 | 0 | 112.1 | ||||
| 220 | V | 28.1 | Very low | 26.1 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 72% | 0.715 | 62% | 0.62 | S | S | * | * | 47.6 | 136.5 | 127.8 | 159 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 221 | A | 28.6 | Very low | 26.3 | Very low | 77 Ų | 77 | 111 Ų | 111 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | cis | -177.7 | -144.8 | -16.6 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 222 | L | 30.1 | Very low | 26.5 | Very low | 140 Ų | 140 | 109 Ų | 109 | 73% | 0.733 | 62% | 0.622 | S | S | * | * | trans | 61.2 | 84.1 | 148.7 | -65.5 | 157.3 | 0 | 0 | 0 | 114.6 | ||||
| 223 | H | 29.2 | Very low | 26.7 | Very low | 147 Ų | 147 | 107.7 Ų | 107.7 | 68% | 0.681 | 63% | 0.626 | S | S | * | * | cis | 59.8 | 140.8 | 25.8 | -169.3 | -108.6 | 0 | 0 | 0 | 112.4 | L2113 | H223-L2113 CarbonylContact C-O 2.79Å; H223-L2113 VanDerWaalsContact O-O 3.11Å | ||
| 224 | P | 33 | Very low | 27 | Very low | 41 Ų | 41 | 107.4 Ų | 107.4 | 27% | 0.266 | 63% | 0.628 | S | S | . | * | cis | -124.4 | -59.9 | -34.7 | 32.3 | -27.4 | 0 | 0 | 0 | 118.9 | L2112 L2113 D2114 | P224-L2112 VanDerWaalsContact CD-N 3.32Å; P224-L2112 WeakPolarHBondContact CD-O 3.34Å; P224-L2113 CarbonylContact C-O 3.51Å; P224-L2113 WeakPolarHBondContact CA-O 3.23Å; P224-L2113 CarbonylContact O-C 3.47Å; P224-D2114 WeakPolarHBondContact O-CA 3.28Å; P224-D2114 PolarHBondContact O-N 3.33Å | ||
| 225 | N | 27 | Very low | 27.2 | Very low | 76 Ų | 76 | 107.3 Ų | 107.3 | 41% | 0.406 | 63% | 0.628 | S | S | . | * | trans | -137.6 | 140.2 | -152.8 | 56.9 | -117.5 | 0 | 0 | 0 | 118.1 | L2113 | N225-L2113 VanDerWaalsContact C-N 3.27Å; N225-L2113 VanDerWaalsContact N-CA 3.25Å; N225-L2113 PolarHBondContact O-N 2.88Å | ||
| 226 | T | 27.3 | Very low | 27.3 | Very low | 29 Ų | 29 | 107.4 Ų | 107.4 | 18% | 0.178 | 63% | 0.629 | C | S | . | * | trans | -147.1 | 122.1 | 139.6 | 36.6 | 0 | 0 | 0 | 0 | 112.7 | L2112 L2113 D2114 K2116 | T226-L2112 HydrophobicContact CG2-CD1 4.09Å; T226-L2112 HydrophobicContact CG2-CD2 4.3Å; T226-L2112 HydrophobicContact CG2-CG 3.92Å; T226-L2113 HydrophobicContact CG2-CD1 4.04Å; T226-L2113 HydrophobicContact CG2-CG 4.05Å; T226-L2113 WeakPolarHBondContact OG1-CD2 3.27Å; T226-L2113 WeakPolarHBondContact OG1-CG 3.16Å; T226-D2114 PolarHBondContact N-OD1 2.75Å; T226-D2114 VanDerWaalsContact O-OD2 3.08Å; T226-D2114 VanDerWaalsContact OG1-CG 3.23Å; T226-D2114 PolarHBondContact OG1-OD2 3.08Å; T226-K2116 PolarHBondContact O-NZ 2.78Å | ||
| 227 | K | 24.8 | Very low | 27.2 | Very low | 138 Ų | 138 | 104.2 Ų | 104.2 | 60% | 0.6 | 62% | 0.624 | S | S | * | * | 61 | 163.7 | 62.5 | -157.7 | -155.2 | -62.2 | -176.3 | 0 | 111.6 | |||||
| 228 | V | 26.6 | Very low | 27.3 | Very low | 110 Ų | 110 | 104.1 Ų | 104.1 | 67% | 0.667 | 62% | 0.624 | S | S | * | * | trans | 76.1 | 80.9 | 176.6 | -164.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 229 | N | 24.8 | Very low | 27.3 | Very low | 126 Ų | 126 | 106.1 Ų | 106.1 | 67% | 0.674 | 63% | 0.629 | S | S | * | * | 76 | 132 | 67.4 | -65.9 | 2.8 | 0 | 0 | 0 | 113 | |||||
| 230 | C | 25.1 | Very low | 27.3 | Very low | 121 Ų | 121 | 105 Ų | 105 | 82% | 0.818 | 62% | 0.623 | S | S | * | * | trans | 62.8 | 178.5 | 160 | -54 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 231 | V | 25.2 | Very low | 27.3 | Very low | 127 Ų | 127 | 106.8 Ų | 106.8 | 77% | 0.77 | 62% | 0.621 | S | S | * | * | cis | -130.7 | 132.1 | 3.3 | -175.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 232 | S | 27.5 | Very low | 27.2 | Very low | 102 Ų | 102 | 111.1 Ų | 111.1 | 71% | 0.713 | 63% | 0.625 | S | S | * | * | 180 | 131.9 | 108 | -70.7 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 233 | A | 26.7 | Very low | 27.1 | Very low | 83 Ų | 83 | 109.6 Ų | 109.6 | 69% | 0.686 | 63% | 0.625 | S | S | * | * | 50.6 | 124.5 | 84.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 234 | I | 28.5 | Very low | 26.9 | Very low | 151 Ų | 151 | 109.7 Ų | 109.7 | 77% | 0.774 | 62% | 0.624 | S | S | * | * | cis | -128.3 | 114.7 | 38.1 | -73.7 | 158.6 | 0 | 0 | 0 | 107.7 | ||||
| 235 | S | 25.9 | Very low | 26.6 | Very low | 90 Ų | 90 | 113.4 Ų | 113.4 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | 71.2 | 161.4 | 62.8 | 83.9 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 236 | S | 26.2 | Very low | 26.5 | Very low | 89 Ų | 89 | 114.3 Ų | 114.3 | 62% | 0.622 | 65% | 0.654 | S | S | * | * | trans | 53.8 | 90.3 | 171.3 | 46 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 237 | S | 25.8 | Very low | 26.5 | Very low | 92 Ų | 92 | 116.4 Ų | 116.4 | 64% | 0.643 | 67% | 0.67 | S | S | * | * | 75.8 | 176 | 77.3 | 70.3 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 238 | D | 28 | Very low | 26.8 | Very low | 124 Ų | 124 | 113.5 Ų | 113.5 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | trans | 60 | 97.7 | 160.2 | -65.5 | -60.1 | 0 | 0 | 0 | 116.5 | ||||
| 239 | N | 26.6 | Very low | 26.8 | Very low | 115 Ų | 115 | 110.9 Ų | 110.9 | 62% | 0.615 | 66% | 0.656 | S | S | * | * | 113.7 | 149.1 | 59.6 | -123.2 | -52.1 | 0 | 0 | 0 | 106.7 | |||||
| 240 | N | 27.8 | Very low | 26.8 | Very low | 109 Ų | 109 | 107.4 Ų | 107.4 | 58% | 0.583 | 64% | 0.641 | S | S | * | * | trans | 65.2 | 147.9 | 154.5 | -60.6 | -47.7 | 0 | 0 | 0 | 117.4 | ||||
| 241 | K | 28.7 | Very low | 26.8 | Very low | 156 Ų | 156 | 106.7 Ų | 106.7 | 68% | 0.678 | 63% | 0.626 | S | S | * | * | cis | -158.6 | 166.1 | -9.7 | -115.5 | 158.5 | -170 | 126.6 | 0 | 107.9 | ||||
| 242 | K | 26.1 | Very low | 27.2 | Very low | 167 Ų | 167 | 105.3 Ų | 105.3 | 73% | 0.726 | 62% | 0.622 | S | S | * | * | trans | -1.2 | 132.1 | 138.3 | -50.3 | 176.3 | -178.1 | -173.1 | 0 | 113.9 | F244 | K242-F244 HydrophobicContact CB-CE2 4.46Š| ||
| 243 | C | 27.6 | Very low | 27.8 | Very low | 109 Ų | 109 | 106.2 Ų | 106.2 | 74% | 0.736 | 63% | 0.625 | S | S | * | * | -150 | 145 | 72.3 | -78.3 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 244 | F | 24.9 | Very low | 28 | Very low | 148 Ų | 148 | 106.9 Ų | 106.9 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | 40.5 | 122.2 | 94.7 | -49.6 | -74.6 | 0 | 0 | 0 | 112.6 | K242 | K242-F244 HydrophobicContact CB-CE2 4.46Š| |||
| 245 | T | 26.7 | Very low | 27.9 | Very low | 120 Ų | 120 | 105.2 Ų | 105.2 | 74% | 0.736 | 62% | 0.619 | S | S | * | * | cis | -148.3 | 135.3 | 42.1 | 48 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 246 | T | 25.6 | Very low | 27.8 | Very low | 94 Ų | 94 | 105.2 Ų | 105.2 | 58% | 0.577 | 62% | 0.618 | S | S | * | * | 37.5 | 118.3 | 85.6 | 62 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 247 | S | 26.5 | Very low | 27.7 | Very low | 74 Ų | 74 | 109 Ų | 109 | 52% | 0.517 | 62% | 0.624 | S | S | . | * | trans | 26.6 | 153.6 | 139.1 | -72.6 | 0 | 0 | 0 | 0 | 122.2 | I534 | S247-I534 PolarHBondContact OG-O 2.93Š| ||
| 248 | P | 32 | Very low | 27.6 | Very low | 76 Ų | 76 | 110.8 Ų | 110.8 | 49% | 0.494 | 63% | 0.626 | S | S | . | * | cis | -148.2 | -156.2 | -18.1 | 36.9 | -14.2 | 0 | 0 | 0 | 113.9 | I534 A535 | P248-I534 WeakPolarHBondContact CB-O 2.95Å; P248-A535 HydrophobicContact CB-CB 3.26Å; P248-A535 VanDerWaalsContact CB-N 3.27Å; P248-A535 HydrophobicContact CG-CB 3.67Å | ||
| 249 | A | 26.8 | Very low | 27.4 | Very low | 56 Ų | 56 | 110.8 Ų | 110.8 | 46% | 0.463 | 63% | 0.631 | S | S | . | * | trans | 75.2 | 150.5 | 142.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | A535 E536 | A249-A535 WeakPolarHBondContact CA-O 3.44Å; A249-A535 PolarHBondContact N-O 2.93Å; A249-E536 HydrophobicContact CB-CB 4.1Å | ||
| 250 | S | 24.7 | Very low | 27.3 | Very low | 53 Ų | 53 | 109.8 Ų | 109.8 | 37% | 0.371 | 64% | 0.639 | S | S | . | * | cis | -174.5 | -171.2 | -17.6 | 52.2 | 0 | 0 | 0 | 0 | 107.1 | E536 | S250-E536 VanDerWaalsContact CB-C 3.49Å; S250-E536 WeakPolarHBondContact CB-O 3.18Å | ||
| 251 | Q | 26 | Very low | 27.2 | Very low | 106 Ų | 106 | 109.3 Ų | 109.3 | 50% | 0.495 | 64% | 0.644 | S | S | . | * | trans | 56.4 | 104.9 | 150.7 | -72.8 | 169.9 | 113.7 | 0 | 0 | 116.4 | N537 N538 | Q251-N537 HydrophobicContact CG-CB 3.87Å; Q251-N538 PolarHBondContact OE1-ND2 3.49Å | ||
| 252 | S | 32.3 | Very low | 27.1 | Very low | 98 Ų | 98 | 105.9 Ų | 105.9 | 69% | 0.685 | 64% | 0.64 | S | S | * | * | cis | 53.9 | 137.7 | 33.4 | 118.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 253 | P | 40.3 | Very low | 27 | Very low | 120 Ų | 120 | 104.1 Ų | 104.1 | 78% | 0.779 | 64% | 0.643 | S | S | * | * | cis | -96.9 | -108.7 | -22.6 | 20.5 | 1.6 | 0 | 0 | 0 | 108.1 | ||||
| 254 | P | 30.3 | Very low | 27 | Very low | 97 Ų | 97 | 103.6 Ų | 103.6 | 63% | 0.63 | 64% | 0.639 | S | S | * | * | cis | -127.2 | -174.7 | 16.9 | 33.8 | -10.7 | 0 | 0 | 0 | 113.6 | ||||
| 255 | T | 26.7 | Very low | 27.1 | Very low | 116 Ų | 116 | 102.9 Ų | 102.9 | 71% | 0.712 | 64% | 0.638 | S | S | * | * | trans | 34.4 | 136.4 | 139.8 | 57.8 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 256 | C | 24.6 | Very low | 27.1 | Very low | 90 Ų | 90 | 102.3 Ų | 102.3 | 61% | 0.608 | 63% | 0.627 | S | S | * | * | cis | -174.7 | 170.2 | 16.6 | -124.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 257 | F | 24 | Very low | 27.1 | Very low | 168 Ų | 168 | 103.6 Ų | 103.6 | 74% | 0.737 | 63% | 0.628 | S | S | * | * | trans | 53.4 | 131.7 | 143.7 | -74.4 | -52.9 | 0 | 0 | 0 | 122.4 | ||||
| 258 | N | 24.3 | Very low | 27.1 | Very low | 131 Ų | 131 | 104.4 Ų | 104.4 | 70% | 0.701 | 62% | 0.622 | S | S | * | * | trans | 70.5 | 117.5 | 132.5 | -64.9 | -13.1 | 0 | 0 | 0 | 118.7 | ||||
| 259 | T | 23.4 | Very low | 26.8 | Very low | 124 Ų | 124 | 105 Ų | 105 | 76% | 0.761 | 63% | 0.628 | S | S | * | * | 90.4 | 129 | 70.9 | -64.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 260 | A | 24.4 | Very low | 27.2 | Very low | 94 Ų | 94 | 105.8 Ų | 105.8 | 78% | 0.777 | 63% | 0.63 | S | S | * | * | trans | 63 | 166.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 261 | S | 25 | Very low | 27.6 | Very low | 99 Ų | 99 | 108.5 Ų | 108.5 | 69% | 0.692 | 65% | 0.646 | S | S | * | * | cis | -172.6 | 155.3 | -27.1 | 171.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 262 | S | 26.7 | Very low | 27.6 | Very low | 84 Ų | 84 | 109.7 Ų | 109.7 | 59% | 0.587 | 66% | 0.661 | S | S | * | * | trans | 50.7 | 120 | 145.4 | 60.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 263 | T | 25.4 | Very low | 27.2 | Very low | 129 Ų | 129 | 109.1 Ų | 109.1 | 79% | 0.791 | 66% | 0.657 | S | S | * | * | 78.7 | 156.5 | 125.1 | 58.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 264 | C | 26.6 | Very low | 26.5 | Very low | 98 Ų | 98 | 107.7 Ų | 107.7 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | trans | 76.4 | 122 | 168.4 | -65 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 265 | E | 27 | Very low | 26.3 | Very low | 133 Ų | 133 | 109 Ų | 109 | 62% | 0.621 | 65% | 0.65 | S | S | * | * | 73.9 | 143.3 | 51.9 | -65.7 | -175.8 | 122 | 0 | 0 | 112.1 | |||||
| 266 | Q | 26.9 | Very low | 26.4 | Very low | 108 Ų | 108 | 111.6 Ų | 111.6 | 51% | 0.505 | 65% | 0.652 | S | S | . | * | cis | -165.6 | 178.1 | 11.2 | -132.8 | 175.5 | 50.4 | 0 | 0 | 110.1 | ||||
| 267 | M | 25.7 | Very low | 26.4 | Very low | 121 Ų | 121 | 111.4 Ų | 111.4 | 60% | 0.596 | 65% | 0.651 | S | S | * | * | trans | 71.4 | 154.1 | 146.3 | -79.7 | -160.7 | -91.4 | 0 | 0 | 119.7 | S2210 | M267-S2210 CarbonylContact C-O 3.58Š| ||
| 268 | K | 25.7 | Very low | 26.5 | Very low | 92 Ų | 92 | 108.6 Ų | 108.6 | 40% | 0.4 | 65% | 0.651 | S | S | . | * | cis | -165.6 | 177.4 | -29 | -125.5 | 173.6 | -151.6 | 150.6 | 0 | 110 | ||||
| 269 | S | 25.4 | Very low | 26.6 | Very low | 87 Ų | 87 | 108.5 Ų | 108.5 | 61% | 0.608 | 65% | 0.65 | S | S | * | * | trans | 58.8 | 112.7 | 150 | 58 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 270 | S | 37.1 | Very low | 26.8 | Very low | 74 Ų | 74 | 108.6 Ų | 108.6 | 52% | 0.517 | 65% | 0.646 | S | S | . | * | trans | -57.4 | 166.1 | 147.5 | 50.1 | 0 | 0 | 0 | 0 | 110.6 | Q2211 | S270-Q2211 PolarHBondContact OG-NE2 2.93Š| ||
| 271 | P | 32.2 | Very low | 27 | Very low | 109 Ų | 109 | 108.5 Ų | 108.5 | 71% | 0.708 | 64% | 0.64 | S | S | * | * | -152.8 | 177.6 | 99 | 44.2 | -28.4 | 0 | 0 | 0 | 115 | |||||
| 272 | V | 25.8 | Very low | 27 | Very low | 131 Ų | 131 | 110.9 Ų | 110.9 | 79% | 0.794 | 64% | 0.643 | S | S | * | * | 42.6 | 131.6 | 129.2 | 166.8 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 273 | S | 24.5 | Very low | 26.8 | Very low | 87 Ų | 87 | 111.8 Ų | 111.8 | 61% | 0.608 | 65% | 0.645 | S | S | * | * | cis | 177.3 | -156.8 | -2.1 | 57.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 274 | C | 25.5 | Very low | 26.8 | Very low | 90 Ų | 90 | 111.8 Ų | 111.8 | 61% | 0.608 | 64% | 0.639 | S | S | * | * | trans | 67.7 | 107 | 144.8 | -81.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 275 | N | 25.6 | Very low | 26.7 | Very low | 123 Ų | 123 | 113 Ų | 113 | 66% | 0.658 | 64% | 0.639 | S | S | * | * | 94.3 | 139.5 | 118.5 | -64 | -16.7 | 0 | 0 | 0 | 115.9 | |||||
| 276 | K | 28 | Very low | 26.7 | Very low | 172 Ų | 172 | 113.5 Ų | 113.5 | 75% | 0.748 | 65% | 0.646 | S | S | * | * | cis | -154.1 | 162.8 | -0 | -125.5 | 166.4 | -171.6 | 179.8 | 0 | 112.3 | ||||
| 277 | S | 25.8 | Very low | 26.7 | Very low | 85 Ų | 85 | 113.9 Ų | 113.9 | 59% | 0.594 | 66% | 0.656 | S | S | * | * | trans | -17.9 | 138 | 151.1 | 56.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 278 | C | 25.9 | Very low | 26.7 | Very low | 109 Ų | 109 | 112.3 Ų | 112.3 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | -154.7 | 134.2 | 107.1 | -95.7 | 0 | 0 | 0 | 0 | 108 | |||||
| 279 | L | 26 | Very low | 26.9 | Very low | 130 Ų | 130 | 116.4 Ų | 116.4 | 68% | 0.681 | 68% | 0.68 | S | S | * | * | 57.6 | 120.6 | 78.5 | -81.8 | 77.7 | 0 | 0 | 0 | 110.5 | |||||
| 280 | N | 28.2 | Very low | 26.9 | Very low | 125 Ų | 125 | 119.9 Ų | 119.9 | 67% | 0.668 | 69% | 0.686 | S | S | * | * | cis | -143.8 | 150 | 14.6 | -72.7 | -49.3 | 0 | 0 | 0 | 108.9 | ||||
| 281 | S | 27.8 | Very low | 26.4 | Very low | 93 Ų | 93 | 120 Ų | 120 | 65% | 0.65 | 69% | 0.686 | S | S | * | * | cis | 64.5 | 89.3 | 34.8 | 80.9 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 282 | I | 25 | Very low | 26 | Very low | 149 Ų | 149 | 120.7 Ų | 120.7 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | trans | -164.5 | 106.3 | 155.4 | -101.4 | 146.1 | 0 | 0 | 0 | 104.2 | ||||
| 283 | T | 23.2 | Very low | 26 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | 53.1 | 122 | 70.1 | 72.8 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 284 | I | 25.7 | Very low | 25.9 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | -166.4 | 129.1 | 80.5 | -88.2 | 146.9 | 0 | 0 | 0 | 107.1 | |||||
| 285 | N | 23.5 | Very low | 25.9 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 67% | 0.668 | 70% | 0.699 | S | S | * | * | 11.2 | 149.3 | 129.1 | -29.2 | -31.3 | 0 | 0 | 0 | 116.2 | |||||
| 286 | D | 28 | Very low | 25.9 | Very low | 142 Ų | 142 | 128.8 Ų | 128.8 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | -169.8 | 138.3 | 74 | -103.8 | -37.3 | 0 | 0 | 0 | 113.8 | |||||
| 287 | T | 26.9 | Very low | 26.4 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 72% | 0.718 | 70% | 0.698 | S | S | * | * | trans | -60.9 | 136 | 171.6 | 54.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 288 | A | 24.9 | Very low | 26.3 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 71% | 0.707 | S | S | * | * | trans | -161.1 | 134.5 | 137.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 289 | K | 29.2 | Very low | 26.4 | Very low | 178 Ų | 178 | 129.6 Ų | 129.6 | 77% | 0.774 | 71% | 0.712 | S | S | * | * | 59.1 | 137.5 | 54.1 | -58.5 | 175.5 | -178.2 | 166.2 | 0 | 110.4 | |||||
| 290 | H | 27.1 | Very low | 26.7 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 74% | 0.741 | 72% | 0.715 | S | S | * | * | cis | -171.2 | 151.9 | 37.4 | -153 | 25 | 0 | 0 | 0 | 111.7 | ||||
| 291 | C | 24.9 | Very low | 26.8 | Very low | 77 Ų | 77 | 134.5 Ų | 134.5 | 52% | 0.52 | 73% | 0.725 | S | S | . | * | trans | 70 | 148.1 | 143.9 | -79.6 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 292 | Q | 25.4 | Very low | 26.8 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 58% | 0.579 | 73% | 0.732 | S | S | * | * | cis | -171.1 | 168.6 | -14.9 | -126.7 | 172.4 | 14 | 0 | 0 | 112.4 | ||||
| 293 | R | 25 | Very low | 27.2 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 73% | 0.732 | 73% | 0.73 | S | S | * | * | trans | 72.7 | 99.8 | 143.9 | -77.9 | 167.1 | -176.4 | 152 | 5.2 | 120.9 | ||||
| 294 | T | 22.9 | Very low | 27.5 | Very low | 120 Ų | 120 | 135.5 Ų | 135.5 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | 43.8 | 126.5 | 114.5 | 59.1 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 295 | L | 25.6 | Very low | 27.6 | Very low | 179 Ų | 179 | 135.5 Ų | 135.5 | 94% | 0.937 | 72% | 0.723 | S | S | * | * | -163.5 | -178.3 | 111.4 | -103.7 | 160.2 | 0 | 0 | 0 | 112.1 | |||||
| 296 | S | 25.4 | Very low | 27.9 | Very low | 107 Ų | 107 | 135.4 Ų | 135.4 | 75% | 0.748 | 73% | 0.727 | S | S | * | * | trans | -117 | 177.4 | -159.3 | -121 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 297 | P | 37.1 | Very low | 28.1 | Very low | 100 Ų | 100 | 136.8 Ų | 136.8 | 65% | 0.649 | 73% | 0.733 | S | S | * | * | trans | -86.4 | -174.2 | -161.7 | 37 | -39.4 | 0 | 0 | 0 | 116 | ||||
| 298 | N | 24.8 | Very low | 28.2 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 78% | 0.781 | 72% | 0.721 | S | S | * | * | trans | 83.9 | 69.1 | 170.4 | -61.8 | 9.8 | 0 | 0 | 0 | 118.1 | ||||
| 299 | V | 27.9 | Very low | 28.3 | Very low | 138 Ų | 138 | 139.4 Ų | 139.4 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | trans | -142.5 | 35.5 | 161.3 | -151.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 300 | F | 32.5 | Very low | 28.3 | Very low | 170 Ų | 170 | 141.8 Ų | 141.8 | 75% | 0.746 | 73% | 0.725 | S | S | * | * | trans | -136.2 | 17.5 | 171.7 | -116.6 | -81.5 | 0 | 0 | 0 | 116.7 | M302 L303 | F300-M302 PolarHBondContact O-N 2.9Å; F300-M302 VanDerWaalsContact O-N 3.11Å; F300-L303 HydrophobicContact CE1-CB 4.24Å; F300-L303 HydrophobicContact CE1-CD1 4.11Å; F300-L303 HydrophobicContact CZ-CD1 4.37Å | ||
| 301 | E | 31.2 | Very low | 28.4 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 10.5 | 168.8 | -153.1 | -179 | 160.8 | 0 | 0 | 112.9 | ||
| 302 | M | 25.8 | Very low | 28.4 | Very low | 162 Ų | 162 | 144.4 Ų | 144.4 | 80% | 0.798 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.6 | 14.1 | -164 | -135.2 | 172.5 | 77.2 | 0 | 0 | 116.7 | F300 S304 | F300-M302 PolarHBondContact O-N 2.9Å; F300-M302 VanDerWaalsContact O-N 3.11Å; M302-S304 VanDerWaalsContact C-CB 3.42Å |
| 303 | L | 34.7 | Very low | 28.4 | Very low | 139 Ų | 139 | 145.1 Ų | 145.1 | 73% | 0.728 | 73% | 0.733 | S | S | * | * | trans | -137 | 62.1 | 163.1 | -74.1 | 179 | 0 | 0 | 0 | 109.2 | F300 | F300-L303 HydrophobicContact CE1-CB 4.24Å; F300-L303 HydrophobicContact CE1-CD1 4.11Å; F300-L303 HydrophobicContact CZ-CD1 4.37Å | ||
| 304 | S | 28.8 | Very low | 28.6 | Very low | 65 Ų | 65 | 142.2 Ų | 142.2 | 46% | 0.455 | 73% | 0.73 | S | S | . | * | 61.9 | 94.6 | 50.4 | -162.9 | 0 | 0 | 0 | 0 | 114.1 | M302 V306 | M302-S304 VanDerWaalsContact C-CB 3.42Å; S304-V306 PolarHBondContact O-N 2.8Å | |||
| 305 | N | 28.6 | Very low | 28.8 | Very low | 129 Ų | 129 | 143.8 Ų | 143.8 | 69% | 0.69 | 73% | 0.729 | S | S | * | * | trans | 61.1 | 35.9 | 135.5 | -61.3 | -71.9 | 0 | 0 | 0 | 119.9 | S308 | N305-S308 PolarHBondContact O-OG 2.89Š| ||
| 306 | V | 28.8 | Very low | 28.7 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 74% | 0.739 | 72% | 0.721 | S | S | * | * | trans | -123.5 | 134.1 | 169.1 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | S304 | S304-V306 PolarHBondContact O-N 2.8Š| ||
| 307 | L | 32.9 | Very low | 28.8 | Very low | 172 Ų | 172 | 138.2 Ų | 138.2 | 90% | 0.901 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 52 | 51.5 | -169.2 | -52.5 | -173.2 | 0 | 0 | 0 | 113.9 | ||
| 308 | S | 28.8 | Very low | 28.6 | Very low | 65 Ų | 65 | 145.1 Ų | 145.1 | 46% | 0.455 | 73% | 0.728 | S | S | . | * | 67.1 | 111.7 | 50.1 | -76.9 | 0 | 0 | 0 | 0 | 117.2 | N305 | N305-S308 PolarHBondContact O-OG 2.89Š| |||
| 309 | R | 27.6 | Very low | 28.6 | Very low | 194 Ų | 194 | 145.2 Ų | 145.2 | 73% | 0.732 | 73% | 0.728 | S | S | * | * | 60.1 | 88.5 | 128 | -53 | 170 | -169.8 | -172.8 | 2 | 118.2 | |||||
| 310 | R | 28.5 | Very low | 28.7 | Very low | 227 Ų | 227 | 142.2 Ų | 142.2 | 86% | 0.857 | 71% | 0.714 | S | S | * | * | -165.7 | 126 | 104.3 | -96.6 | 148.9 | -179.2 | 174.7 | -0.1 | 108.4 | |||||
| 311 | R | 28.4 | Very low | 28.5 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 73% | 0.728 | 72% | 0.716 | S | S | * | * | cis | 72.7 | 145.8 | 30.1 | -153.8 | -131.6 | -84.1 | 166.3 | -14.1 | 112.5 | ||||
| 312 | D | 24.9 | Very low | 28.5 | Very low | 100 Ų | 100 | 139 Ų | 139 | 54% | 0.535 | 71% | 0.71 | S | S | . | * | trans | 86.7 | 118.7 | 167.7 | -58.9 | -36.2 | 0 | 0 | 0 | 117.4 | ||||
| 313 | L | 26.1 | Very low | 28.6 | Very low | 139 Ų | 139 | 139 Ų | 139 | 73% | 0.728 | 71% | 0.708 | S | S | * | * | trans | 74.1 | 141.3 | 148.4 | -57.1 | 162.7 | 0 | 0 | 0 | 117.5 | ||||
| 314 | I | 29.9 | Very low | 28.4 | Very low | 133 Ų | 133 | 140 Ų | 140 | 68% | 0.682 | 71% | 0.714 | S | S | * | * | cis | -136.7 | 128.9 | 6 | -115.5 | 141.9 | 0 | 0 | 0 | 106.5 | ||||
| 315 | E | 25.5 | Very low | 28.3 | Very low | 152 Ų | 152 | 143.9 Ų | 143.9 | 71% | 0.71 | 73% | 0.725 | S | S | * | * | 57.5 | 147 | 87.2 | -70.8 | 178 | 172.4 | 0 | 0 | 113.8 | |||||
| 316 | S | 24.8 | Very low | 28.2 | Very low | 111 Ų | 111 | 143 Ų | 143 | 78% | 0.776 | 72% | 0.72 | S | S | * | * | cis | -171.9 | 177.4 | -21.5 | 56.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 317 | G | 28.2 | Very low | 28.5 | Very low | 59 Ų | 59 | 143.6 Ų | 143.6 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | trans | 90.1 | 118.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 318 | W | 31 | Very low | 28.2 | Very low | 244 Ų | 244 | 143.6 Ų | 143.6 | 92% | 0.924 | 72% | 0.717 | S | S | * | * | cis | 54.7 | 89.9 | 11.1 | -61.4 | 90.1 | 0 | 0 | 0 | 114.3 | ||||
| 319 | D | 26.5 | Very low | 28.8 | Very low | 149 Ų | 149 | 147.8 Ų | 147.8 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | -143.9 | 129.3 | 114.8 | -112.3 | -36 | 0 | 0 | 0 | 110.6 | |||||
| 320 | S | 28.8 | Very low | 29.1 | Very low | 75 Ų | 75 | 143 Ų | 143 | 52% | 0.524 | 73% | 0.729 | S | S | . | * | 25.1 | 165.6 | 114.7 | -33.3 | 0 | 0 | 0 | 0 | 121 | |||||
| 321 | D | 29.4 | Very low | 29.1 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 80% | 0.802 | 73% | 0.728 | S | S | * | * | trans | 95.2 | 78.4 | -178 | -58 | -1.2 | 0 | 0 | 0 | 111.6 | ||||
| 322 | D | 29.9 | Very low | 29 | Very low | 138 Ų | 138 | 133.8 Ų | 133.8 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | 70.6 | 174.5 | 59.2 | -62 | -47.4 | 0 | 0 | 0 | 113.8 | |||||
| 323 | E | 28.4 | Very low | 29.1 | Very low | 163 Ų | 163 | 132 Ų | 132 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | 66.5 | 74.8 | -176.7 | -48.4 | -56.4 | 97.5 | 0 | 0 | 116.6 | ||||
| 324 | D | 29.9 | Very low | 29.1 | Very low | 160 Ų | 160 | 135.8 Ų | 135.8 | 86% | 0.856 | 74% | 0.738 | S | S | * | * | 17.5 | -148.8 | 114.2 | -85.2 | -55.7 | 0 | 0 | 0 | 120.5 | |||||
| 325 | E | 27 | Very low | 28.9 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 68% | 0.682 | 73% | 0.731 | S | S | * | * | trans | 70.1 | 106.1 | 173.6 | -51.3 | -57.3 | 76.2 | 0 | 0 | 120.6 | ||||
| 326 | D | 27.1 | Very low | 29 | Very low | 110 Ų | 110 | 135.8 Ų | 135.8 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | 76.6 | 85.4 | 129.6 | -74.6 | 6.3 | 0 | 0 | 0 | 121.9 | F328 | D326-F328 HydrophobicContact CB-CD2 4.35Å; D326-F328 PolarHBondContact O-N 3.32Å | |||
| 327 | V | 34.3 | Very low | 28.9 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 74% | 0.737 | S | S | * | * | -4.2 | 102.1 | 104.3 | -176 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 328 | F | 27.6 | Very low | 28.6 | Very low | 171 Ų | 171 | 139.2 Ų | 139.2 | 75% | 0.75 | 74% | 0.738 | S | S | * | * | trans | -150.7 | 97.5 | 147.4 | -100 | -74.1 | 0 | 0 | 0 | 111.8 | D326 | D326-F328 HydrophobicContact CB-CD2 4.35Å; D326-F328 PolarHBondContact O-N 3.32Å | ||
| 329 | D | 42.1 | Very low | 28.3 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 82% | 0.824 | 73% | 0.73 | S | S | * | * | trans | -62.3 | 141.7 | 141.1 | -97.1 | -38.2 | 0 | 0 | 0 | 106.7 | ||||
| 330 | P | 34 | Very low | 28.1 | Very low | 93 Ų | 93 | 135.8 Ų | 135.8 | 60% | 0.604 | 73% | 0.731 | S | S | * | * | -153.4 | 179.8 | 92.3 | 41.2 | -23.3 | 0 | 0 | 0 | 116.8 | |||||
| 331 | D | 27.2 | Very low | 27.9 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 84% | 0.84 | 74% | 0.74 | S | S | * | * | trans | 68.6 | 148.1 | 156 | -61.9 | -35.1 | 0 | 0 | 0 | 120 | ||||
| 332 | G | 27.5 | Very low | 27.8 | Very low | 69 Ų | 69 | 137.5 Ų | 137.5 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | cis | 170.4 | 154 | -5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 333 | G | 27.2 | Very low | 27.7 | Very low | 62 Ų | 62 | 138.9 Ų | 138.9 | 64% | 0.639 | 74% | 0.744 | S | S | * | * | trans | 109.9 | 104.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 334 | Y | 25.6 | Very low | 27.6 | Very low | 220 Ų | 220 | 138.3 Ų | 138.3 | 86% | 0.863 | 74% | 0.741 | S | S | * | * | cis | 63.5 | 155.1 | 39.7 | -48.4 | -63.9 | 0 | 0 | 0 | 113.8 | ||||
| 335 | S | 25.7 | Very low | 27.4 | Very low | 76 Ų | 76 | 136.6 Ų | 136.6 | 53% | 0.531 | 73% | 0.732 | S | S | . | * | cis | 172.4 | 168.8 | -27.6 | -178 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 336 | Y | 27.1 | Very low | 27.4 | Very low | 208 Ų | 208 | 136.5 Ų | 136.5 | 82% | 0.816 | 73% | 0.732 | S | S | * | * | trans | 68.3 | 142.8 | 169.1 | -53.7 | -69.3 | 0 | 0 | 0 | 115.7 | ||||
| 337 | D | 22.1 | Very low | 27.4 | Very low | 148 Ų | 148 | 138.2 Ų | 138.2 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | cis | 67.2 | 116.2 | -4.8 | -148 | 13.2 | 0 | 0 | 0 | 118.8 | ||||
| 338 | C | 22.3 | Very low | 27.2 | Very low | 94 Ų | 94 | 137.2 Ų | 137.2 | 64% | 0.635 | 73% | 0.734 | S | S | * | * | trans | 80.1 | 118.8 | 164.4 | -128.6 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 339 | Q | 24.7 | Very low | 27.2 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | 67.1 | 116.3 | 137.8 | -71.9 | 172.8 | 3.7 | 0 | 0 | 124.4 | ||||
| 340 | I | 22.3 | Very low | 26.5 | Very low | 161 Ų | 161 | 133.8 Ų | 133.8 | 83% | 0.826 | 73% | 0.73 | S | S | * | * | 56.1 | 114.2 | 125.2 | -52.3 | 164.5 | 0 | 0 | 0 | 119.4 | |||||
| 341 | G | 25.4 | Very low | 26.6 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | trans | 146.3 | 94.2 | 138.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 342 | K | 26.9 | Very low | 26.5 | Very low | 192 Ų | 192 | 133.6 Ų | 133.6 | 84% | 0.835 | 73% | 0.729 | S | S | * | * | trans | 50.1 | 132 | 141.4 | -66.6 | -179.6 | 177.4 | 178.3 | 0 | 122.2 | ||||
| 343 | Q | 26.3 | Very low | 26.5 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | trans | 71.5 | 143.5 | 154.4 | -65 | 174.7 | -22.6 | 0 | 0 | 116.3 | ||||
| 344 | Q | 26.3 | Very low | 26.5 | Very low | 151 Ų | 151 | 137.5 Ų | 137.5 | 71% | 0.706 | 73% | 0.733 | S | S | * | * | cis | -157.5 | 147.6 | -5.7 | -126.9 | 168 | -4.7 | 0 | 0 | 110.8 | ||||
| 345 | N | 25.7 | Very low | 26.6 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | trans | 55.7 | 143.8 | 156.6 | -70.6 | 30.5 | 0 | 0 | 0 | 120 | ||||
| 346 | E | 28.8 | Very low | 26.6 | Very low | 144 Ų | 144 | 133.7 Ų | 133.7 | 67% | 0.673 | 73% | 0.73 | S | S | * | * | cis | -156.4 | 148.9 | -1.9 | -125.3 | 172.6 | 138 | 0 | 0 | 112.1 | ||||
| 347 | L | 27.2 | Very low | 26.6 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 76% | 0.764 | 72% | 0.724 | S | S | * | * | trans | 57.8 | 134.1 | 158.5 | -51.7 | 170.2 | 0 | 0 | 0 | 117.9 | ||||
| 348 | V | 29.9 | Very low | 26.9 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | cis | -154.7 | 123.8 | -3.2 | 107 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 349 | S | 26 | Very low | 27.1 | Very low | 94 Ų | 94 | 132.3 Ų | 132.3 | 66% | 0.657 | 72% | 0.723 | S | S | * | * | 64 | 135.9 | 95.9 | -63.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 350 | L | 28.2 | Very low | 27.2 | Very low | 158 Ų | 158 | 129.2 Ų | 129.2 | 83% | 0.827 | 71% | 0.712 | S | S | * | * | cis | -151.8 | 172.5 | -0.7 | -98.9 | 153.7 | 0 | 0 | 0 | 108.5 | ||||
| 351 | P | 35.5 | Very low | 27.4 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 62% | 0.617 | 70% | 0.703 | S | S | * | * | trans | -124.9 | -140.3 | -163.8 | 37 | -16.5 | 0 | 0 | 0 | 111.7 | ||||
| 352 | N | 25.4 | Very low | 27.6 | Very low | 151 Ų | 151 | 129.6 Ų | 129.6 | 81% | 0.807 | 70% | 0.7 | S | S | * | * | trans | 85.1 | 148.8 | 159.3 | -60.6 | -26.6 | 0 | 0 | 0 | 119.2 | ||||
| 353 | G | 27.8 | Very low | 27.6 | Very low | 59 Ų | 59 | 125.7 Ų | 125.7 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | trans | 78.7 | 156.8 | 166.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 354 | D | 26.9 | Very low | 27.6 | Very low | 154 Ų | 154 | 123.1 Ų | 123.1 | 82% | 0.824 | 68% | 0.68 | S | S | * | * | cis | -172.7 | 158.4 | -14.8 | -101.2 | -27.5 | 0 | 0 | 0 | 104.1 | ||||
| 355 | T | 27.8 | Very low | 27.6 | Very low | 102 Ų | 102 | 122.5 Ų | 122.5 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | cis | -167.2 | -179.5 | 7.9 | 9 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 356 | T | 26.1 | Very low | 27.7 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | trans | 64.7 | 143.1 | 145.3 | 58.1 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 357 | L | 27.1 | Very low | 27.6 | Very low | 133 Ų | 133 | 121.5 Ų | 121.5 | 70% | 0.696 | 69% | 0.689 | S | S | * | * | cis | -162.9 | 145.7 | -2.5 | -113.3 | 166.8 | 0 | 0 | 0 | 109.4 | ||||
| 358 | H | 27.4 | Very low | 27.6 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 74% | 0.736 | 69% | 0.688 | S | S | * | * | trans | 44.5 | 160.3 | 133.6 | -84.5 | -152.7 | 0 | 0 | 0 | 122.3 | ||||
| 359 | L | 27.8 | Very low | 27.6 | Very low | 128 Ų | 128 | 123.4 Ų | 123.4 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | cis | -175.2 | 159.1 | -15.3 | -168.8 | 66.1 | 0 | 0 | 0 | 105 | ||||
| 360 | D | 26.6 | Very low | 27.9 | Very low | 96 Ų | 96 | 123.4 Ų | 123.4 | 51% | 0.513 | 69% | 0.691 | S | S | . | * | cis | -129 | 162.9 | 7.6 | -146.5 | 32.6 | 0 | 0 | 0 | 107.7 | M362 | D360-M362 WeakPolarHBondContact OD2-CE 3.37Š| ||
| 361 | T | 26.9 | Very low | 27.8 | Very low | 104 Ų | 104 | 122.6 Ų | 122.6 | 64% | 0.638 | 69% | 0.687 | S | S | * | * | 65.5 | 166.4 | 52.4 | -18.3 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 362 | M | 28.9 | Very low | 27.4 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 66% | 0.655 | 69% | 0.694 | S | S | * | * | trans | 78.5 | 89.6 | -174.4 | -49.8 | -55.5 | 159.7 | 0 | 0 | 114.2 | D360 | D360-M362 WeakPolarHBondContact OD2-CE 3.37Š| ||
| 363 | N | 26.9 | Very low | 27.8 | Very low | 110 Ų | 110 | 123.6 Ų | 123.6 | 59% | 0.588 | 70% | 0.695 | S | S | * | * | 84.7 | 114.3 | 70.5 | -73.8 | -16.2 | 0 | 0 | 0 | 111.2 | |||||
| 364 | N | 26.1 | Very low | 28 | Very low | 114 Ų | 114 | 125.5 Ų | 125.5 | 61% | 0.61 | 70% | 0.697 | S | S | * | * | 86.1 | 126.1 | 92.2 | -64.8 | -17.5 | 0 | 0 | 0 | 110.6 | |||||
| 365 | N | 26.1 | Very low | 28.1 | Very low | 137 Ų | 137 | 121.5 Ų | 121.5 | 73% | 0.733 | 69% | 0.692 | S | S | * | * | 62.1 | 142.9 | 96.4 | -45.4 | -27.4 | 0 | 0 | 0 | 112.9 | |||||
| 366 | S | 28.4 | Very low | 28.1 | Very low | 106 Ų | 106 | 119.8 Ų | 119.8 | 74% | 0.741 | 70% | 0.695 | S | S | * | * | trans | 88.2 | 137.9 | -167.7 | 78.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 367 | D | 27 | Very low | 28.2 | Very low | 142 Ų | 142 | 121 Ų | 121 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | cis | -164.5 | -165.8 | -21.3 | -108 | -37.8 | 0 | 0 | 0 | 109.6 | ||||
| 368 | I | 27.3 | Very low | 28.4 | Very low | 145 Ų | 145 | 120.1 Ų | 120.1 | 74% | 0.744 | 69% | 0.689 | S | S | * | * | trans | 76.9 | 74.4 | 157.4 | -55.1 | 119.6 | 0 | 0 | 0 | 115.7 | P370 | I368-P370 HydrophobicContact CG2-CG 4.49Š| ||
| 369 | I | 29.6 | Very low | 28.2 | Very low | 156 Ų | 156 | 114.9 Ų | 114.9 | 80% | 0.8 | 67% | 0.67 | S | S | * | * | -44.6 | 133.7 | 129.4 | -70.4 | 160.6 | 0 | 0 | 0 | 109.5 | |||||
| 370 | P | 31.5 | Very low | 28.2 | Very low | 95 Ų | 95 | 112 Ų | 112 | 62% | 0.617 | 66% | 0.659 | S | S | * | * | -151.5 | 137.2 | 108.5 | 34.7 | -14.6 | 0 | 0 | 0 | 118.1 | I368 | I368-P370 HydrophobicContact CG2-CG 4.49Š| |||
| 371 | N | 27.1 | Very low | 28.2 | Very low | 140 Ų | 140 | 113.6 Ų | 113.6 | 75% | 0.749 | 67% | 0.667 | S | S | * | * | 48.2 | 105.1 | 126.5 | -48.9 | -13.2 | 0 | 0 | 0 | 121.6 | |||||
| 372 | S | 27.8 | Very low | 27.9 | Very low | 109 Ų | 109 | 115.4 Ų | 115.4 | 76% | 0.762 | 67% | 0.673 | S | S | * | * | -179.3 | 124.2 | 112.3 | 57.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 373 | L | 32.5 | Very low | 27.7 | Very low | 158 Ų | 158 | 113.9 Ų | 113.9 | 83% | 0.827 | 67% | 0.671 | S | S | * | * | 52.2 | 142.7 | 72.3 | -89.7 | 81.7 | 0 | 0 | 0 | 114.7 | |||||
| 374 | P | 32.7 | Very low | 27.5 | Very low | 99 Ų | 99 | 114.3 Ų | 114.3 | 64% | 0.643 | 68% | 0.678 | S | S | * | * | cis | -132.6 | -169.2 | -17.4 | 40.7 | -23.4 | 0 | 0 | 0 | 112.6 | ||||
| 375 | G | 28.2 | Very low | 27.4 | Very low | 70 Ų | 70 | 116.4 Ų | 116.4 | 72% | 0.722 | 68% | 0.684 | S | S | * | * | trans | 82.6 | 116.7 | 162 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 376 | G | 28.8 | Very low | 27.3 | Very low | 66 Ų | 66 | 113.4 Ų | 113.4 | 68% | 0.68 | 67% | 0.674 | S | S | * | * | cis | 143.9 | 154.7 | -3.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 377 | N | 27.4 | Very low | 27 | Very low | 141 Ų | 141 | 115.7 Ų | 115.7 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | trans | 62.4 | 129.7 | 166.3 | -58 | 0.8 | 0 | 0 | 0 | 116.4 | ||||
| 378 | H | 30.6 | Very low | 26.9 | Very low | 115 Ų | 115 | 112.8 Ų | 112.8 | 53% | 0.532 | 67% | 0.668 | S | S | . | * | cis | -133.5 | 156.1 | -12 | -92 | -58.1 | 0 | 0 | 0 | 107.1 | N1023 N1024 | H378-N1023 PolarHBondContact O-ND2 3.26Å; H378-N1023 PolarHBondContact O-OD1 3.28Å; H378-N1024 PolarHBondContact O-ND2 3.38Å; H378-N1024 PolarHBondContact O-OD1 3Å | ||
| 379 | C | 25 | Very low | 26.9 | Very low | 48 Ų | 48 | 113.1 Ų | 113.1 | 32% | 0.324 | 67% | 0.667 | S | S | . | * | 48.1 | 129 | 82.2 | -46.1 | 0 | 0 | 0 | 0 | 112.1 | N1022 N1023 | C379-N1022 WeakPolarHBondContact CA-OD1 3.41Å; C379-N1023 VanDerWaalsContact CA-OD1 3.24Å; C379-N1023 WeakPolarHBondContact CA-OD1 3.47Å; C379-N1023 PolarHBondContact N-ND2 3.37Å; C379-N1023 PolarHBondContact N-OD1 2.99Å | |||
| 380 | C | 26.5 | Very low | 26.7 | Very low | 67 Ų | 67 | 111.8 Ų | 111.8 | 45% | 0.453 | 66% | 0.657 | S | S | . | * | cis | 50.4 | 169.7 | 49.4 | -92.4 | 0 | 0 | 0 | 0 | 113.6 | V1021 N1022 | C380-V1021 HydrophobicContact CB-CG2 4.45Å; C380-N1022 VanDerWaalsContact CB-OD1 3.31Å; C380-N1022 WeakPolarHBondContact CB-OD1 3.36Å; C380-N1022 PolarHBondContact SG-N 3.4Å | ||
| 381 | L | 27.1 | Very low | 26.5 | Very low | 131 Ų | 131 | 114.1 Ų | 114.1 | 69% | 0.686 | 66% | 0.66 | S | S | * | * | trans | 76.2 | 93.7 | -157.5 | -49.5 | 169.2 | 0 | 0 | 0 | 108.5 | ||||
| 382 | D | 21.4 | Very low | 26.4 | Very low | 142 Ų | 142 | 112.9 Ų | 112.9 | 76% | 0.759 | 65% | 0.653 | S | S | * | * | 82.1 | -156 | 82.2 | -71.7 | -23.7 | 0 | 0 | 0 | 108.1 | |||||
| 383 | V | 24.8 | Very low | 26.4 | Very low | 100 Ų | 100 | 113.5 Ų | 113.5 | 61% | 0.606 | 65% | 0.646 | S | S | * | * | trans | 57.3 | 77.6 | 170.9 | -160.7 | 0 | 0 | 0 | 0 | 112.2 | E385 | V383-E385 HydrophobicContact CG1-CB 4.49Š| ||
| 384 | T | 21.6 | Very low | 26.1 | Very low | 120 Ų | 120 | 111.9 Ų | 111.9 | 74% | 0.736 | 64% | 0.639 | S | S | * | * | 54.7 | -170.1 | 76.9 | 77.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 385 | E | 23.7 | Very low | 26 | Very low | 157 Ų | 157 | 113.7 Ų | 113.7 | 73% | 0.734 | 64% | 0.643 | S | S | * | * | trans | 55.6 | 68.6 | 169.5 | -71.6 | 169.1 | -144 | 0 | 0 | 114.7 | V383 | V383-E385 HydrophobicContact CG1-CB 4.49Š| ||
| 386 | S | 23.8 | Very low | 25.8 | Very low | 75 Ų | 75 | 116.6 Ų | 116.6 | 52% | 0.524 | 64% | 0.642 | S | S | . | * | 84.5 | 131.7 | 74.7 | 73.1 | 0 | 0 | 0 | 0 | 114.9 | S388 | S386-S388 PolarHBondContact O-OG 2.91Š| |||
| 387 | N | 23.2 | Very low | 25.5 | Very low | 153 Ų | 153 | 121 Ų | 121 | 82% | 0.818 | 64% | 0.643 | S | S | * | * | trans | 61.1 | -168.7 | 141 | -62.3 | -25 | 0 | 0 | 0 | 116.4 | ||||
| 388 | S | 24 | Very low | 25.4 | Very low | 81 Ų | 81 | 116.3 Ų | 116.3 | 57% | 0.566 | 62% | 0.62 | S | S | * | * | trans | 45.9 | 120.7 | 135.6 | 56.9 | 0 | 0 | 0 | 0 | 119.3 | S386 | S386-S388 PolarHBondContact O-OG 2.91Š| ||
| 389 | H | 26.6 | Very low | 25.2 | Very low | 152 Ų | 152 | 112.9 Ų | 112.9 | 70% | 0.704 | 61% | 0.607 | S | S | * | * | cis | -172.4 | -145.2 | -3.8 | -112.2 | -52.4 | 0 | 0 | 0 | 104.8 | ||||
| 390 | H | 26.4 | Very low | 25.1 | Very low | 128 Ų | 128 | 112.8 Ų | 112.8 | 59% | 0.593 | 60% | 0.604 | S | S | * | * | trans | 44.3 | 100.9 | 137.6 | -61.8 | -57 | 0 | 0 | 0 | 116 | ||||
| 391 | E | 26.9 | Very low | 24.9 | Very low | 145 Ų | 145 | 114.7 Ų | 114.7 | 68% | 0.678 | 60% | 0.602 | S | S | * | * | cis | -153.7 | 141.6 | 14.4 | -119.3 | 124 | -166.5 | 0 | 0 | 109.2 | ||||
| 392 | N | 24.4 | Very low | 24.9 | Very low | 113 Ų | 113 | 110.9 Ų | 110.9 | 60% | 0.604 | 58% | 0.579 | S | S | * | * | 53.4 | 92.5 | 55.3 | 177.4 | 66.2 | 0 | 0 | 0 | 111.4 | |||||
| 393 | I | 29.8 | Very low | 25 | Very low | 122 Ų | 122 | 106.9 Ų | 106.9 | 63% | 0.626 | 56% | 0.557 | S | S | * | * | -178.3 | 116.8 | 124.2 | -90.8 | 148.3 | 0 | 0 | 0 | 103.4 | |||||
| 394 | N | 24.7 | Very low | 24.9 | Very low | 125 Ų | 125 | 104.5 Ų | 104.5 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | 62.1 | 169 | 81.4 | -72.8 | -20.7 | 0 | 0 | 0 | 111.6 | |||||
| 395 | D | 30.4 | Very low | 25.1 | Very low | 137 Ų | 137 | 102.6 Ų | 102.6 | 73% | 0.733 | 53% | 0.533 | S | S | * | . | trans | 60.2 | 65.8 | 179 | -47.7 | -21 | 0 | 0 | 0 | 112.2 | ||||
| 396 | N | 23.9 | Very low | 25.1 | Very low | 130 Ų | 130 | 99.3 Ų | 99.3 | 70% | 0.695 | 52% | 0.524 | S | S | * | . | cis | 55.5 | 116.6 | 40 | -166.6 | 20.8 | 0 | 0 | 0 | 110.9 | ||||
| 397 | F | 22.4 | Very low | 25.3 | Very low | 160 Ų | 160 | 99 Ų | 99 | 70% | 0.702 | 52% | 0.522 | S | S | * | . | trans | 70.5 | 150.9 | -169.2 | -68.6 | -106.8 | 0 | 0 | 0 | 115.6 | ||||
| 398 | P | 26.6 | Very low | 25.4 | Very low | 42 Ų | 42 | 93.6 Ų | 93.6 | 27% | 0.273 | 50% | 0.502 | S | S | . | . | cis | -138.6 | 164.1 | -22 | 33.4 | -16 | 0 | 0 | 0 | 115.7 | V400 S1710 | P398-V400 PolarHBondContact O-N 2.82Å; P398-S1710 WeakPolarHBondContact O-CA 3.35Å; P398-S1710 WeakPolarHBondContact O-CB 3.4Å | ||
| 399 | T | 25 | Very low | 25.5 | Very low | 42 Ų | 42 | 94.9 Ų | 94.9 | 26% | 0.258 | 51% | 0.506 | S | S | . | . | -2.6 | 90.9 | 125.9 | -54 | 0 | 0 | 0 | 0 | 114.1 | R401 E1341 Q1709 | T399-R401 HydrophobicContact CG2-CG 3.78Å; T399-R401 PolarHBondContact O-NE 3.22Å; T399-R401 PolarHBondContact O-NH2 2.87Å; T399-E1341 VanDerWaalsContact CB-OE1 3.26Å; T399-E1341 WeakPolarHBondContact CB-OE1 3.46Å; T399-E1341 WeakPolarHBondContact CG2-OE1 3.41Å; T399-E1341 PolarHBondContact OG1-OE1 3.29Å; T399-Q1709 PolarHBondContact OG1-OE1 2.73Å | |||
| 400 | V | 23.3 | Very low | 25.5 | Very low | 46 Ų | 46 | 93.1 Ų | 93.1 | 28% | 0.279 | 51% | 0.51 | S | S | . | . | trans | -119.8 | 85.6 | 147 | 174.3 | 0 | 0 | 0 | 0 | 101.4 | P398 S1711 K1712 | P398-V400 PolarHBondContact O-N 2.82Å; V400-S1711 PolarHBondContact O-N 3.3Å; V400-K1712 WeakPolarHBondContact O-CA 3.42Å; V400-K1712 WeakPolarHBondContact O-CB 3.4Å; V400-K1712 PolarHBondContact O-N 2.69Å | ||
| 401 | R | 23.7 | Very low | 25.3 | Very low | 108 Ų | 108 | 93.6 Ų | 93.6 | 41% | 0.408 | 52% | 0.517 | S | S | . | . | 54.1 | 117.5 | 89.7 | -60.3 | 167.9 | -118.2 | -176.9 | 3.1 | 107.2 | T399 I403 K1712 K1713 | T399-R401 HydrophobicContact CG2-CG 3.78Å; T399-R401 PolarHBondContact O-NE 3.22Å; T399-R401 PolarHBondContact O-NH2 2.87Å; R401-I403 HydrophobicContact CB-CB 3.86Å; R401-I403 HydrophobicContact CB-CD1 3.77Å; R401-I403 HydrophobicContact CB-CG1 3.88Å; R401-I403 HydrophobicContact CG-CB 4.33Å; R401-I403 HydrophobicContact CG-CD1 3.48Å; R401-I403 VanDerWaalsContact CG-CD1 3.48Å; R401-I403 HydrophobicContact CG-CG1 3.77Å; R401-K1712 CarbonylContact O-C 3.59Å; R401-K1713 HydrophobicContact CB-CD 4.23Å; R401-K1713 WeakPolarHBondContact O-CB 3.31Å; R401-K1713 WeakPolarHBondContact O-CD 3.28Å; R401-K1713 WeakPolarHBondContact O-CG 3.46Å; R401-K1713 PolarHBondContact O-N 3.07Å | |||
| 402 | Y | 25.7 | Very low | 25.7 | Very low | 50 Ų | 50 | 96.9 Ų | 96.9 | 20% | 0.196 | 52% | 0.523 | C | S | . | . | cis | -64.7 | 122.1 | 32.5 | -73.3 | -54.4 | 0 | 0 | 0 | 115.3 | I1651 K1712 K1713 R1714 L1715 S1716 | Y402-I1651 HydrophobicContact CD1-CG2 3.76Å; Y402-I1651 HydrophobicContact CE1-CG2 3.79Å; Y402-K1712 HydrophobicContact CD2-CG 4.39Å; Y402-K1712 WeakPolarHBondContact O-CD 3.49Å; Y402-K1712 PolarHBondContact O-NZ 3.28Å; Y402-K1713 HydrophobicContact CD1-CD 4.46Å; Y402-K1713 HydrophobicContact CD1-CG 3.65Å; Y402-K1713 HydrophobicContact CD2-CG 4.01Å; Y402-K1713 HydrophobicContact CE1-CG 3.97Å; Y402-K1713 HydrophobicContact CE2-CG 4.28Å; Y402-K1713 HydrophobicContact CG-CG 3.71Å; Y402-R1714 HydrophobicContact CE2-CB 4.47Å; Y402-L1715 WeakPolarHBondContact OH-CA 3.43Å; Y402-L1715 PolarHBondContact OH-N 2.86Å; Y402-S1716 PolarHBondContact OH-OG 2.71Å | ||
| 403 | I | 24.3 | Very low | 25.7 | Very low | 59 Ų | 59 | 97 Ų | 97 | 30% | 0.303 | 53% | 0.53 | S | S | . | . | cis | 59.1 | 134.9 | 15.9 | -95.7 | -170.3 | 0 | 0 | 0 | 113.1 | R401 I1651 | R401-I403 HydrophobicContact CB-CB 3.86Å; R401-I403 HydrophobicContact CB-CD1 3.77Å; R401-I403 HydrophobicContact CB-CG1 3.88Å; R401-I403 HydrophobicContact CG-CB 4.33Å; R401-I403 HydrophobicContact CG-CD1 3.48Å; R401-I403 VanDerWaalsContact CG-CD1 3.48Å; R401-I403 HydrophobicContact CG-CG1 3.77Å; I403-I1651 HydrophobicContact CG2-CB 4.36Å; I403-I1651 HydrophobicContact CG2-CG2 3.51Å; I403-I1651 WeakPolarHBondContact CG2-O 3.36Å | ||
| 404 | S | 23.1 | Very low | 25.4 | Very low | 50 Ų | 50 | 94.1 Ų | 94.1 | 35% | 0.35 | 52% | 0.521 | S | S | . | . | cis | -177.3 | 113.1 | -22.1 | -99.8 | 0 | 0 | 0 | 0 | 104 | Q1650 I1651 | S404-Q1650 WeakPolarHBondContact CB-O 3.48Å; S404-Q1650 CarbonylContact O-C 3.57Å; S404-Q1650 WeakPolarHBondContact O-CA 3.43Å; S404-Q1650 PolarHBondContact O-N 2.84Å; S404-I1651 VanDerWaalsContact O-CG1 3.31Å; S404-I1651 WeakPolarHBondContact O-CG1 3.08Å; S404-I1651 PolarHBondContact O-N 3.47Å | ||
| 405 | V | 24.9 | Very low | 25.2 | Very low | 80 Ų | 80 | 94.1 Ų | 94.1 | 49% | 0.485 | 52% | 0.52 | S | S | . | . | trans | -156.7 | 54.6 | 153.9 | -153.1 | 0 | 0 | 0 | 0 | 109.6 | S407 Q1650 I1651 | V405-S407 WeakPolarHBondContact CG1-OG 3.38Å; V405-S407 PolarHBondContact O-N 3.4Å; V405-Q1650 HydrophobicContact CG1-CB 4.35Å; V405-Q1650 HydrophobicContact CG1-CG 4.26Å; V405-Q1650 HydrophobicContact CG2-CG 4.38Å; V405-I1651 HydrophobicContact CG2-CD1 3.78Å; V405-I1651 HydrophobicContact CG2-CG1 3.42Å; V405-I1651 VanDerWaalsContact CG2-CG1 3.42Å | ||
| 406 | T | 24.8 | Very low | 25.3 | Very low | 88 Ų | 88 | 98 Ų | 98 | 54% | 0.54 | 53% | 0.526 | S | S | . | . | trans | -57.7 | 127.3 | 148.4 | 39.3 | 0 | 0 | 0 | 0 | 106.2 | N1648 V1649 | T406-N1648 VanDerWaalsContact C-CG 3.43Å; T406-N1648 VanDerWaalsContact CB-OD1 3.27Å; T406-N1648 WeakPolarHBondContact CB-OD1 3.43Å; T406-N1648 CarbonylContact O-C 2.93Å; T406-N1648 WeakPolarHBondContact O-CA 3.43Å; T406-N1648 VanDerWaalsContact O-CB 3.32Å; T406-N1648 WeakPolarHBondContact O-CB 3.49Å; T406-N1648 PolarHBondContact O-OD1 3.08Å; T406-N1648 WeakPolarHBondContact OG1-CA 3.02Å; T406-N1648 PolarHBondContact OG1-N 3.48Å; T406-V1649 WeakPolarHBondContact O-CA 3.34Å; T406-V1649 PolarHBondContact O-N 3.35Å | ||
| 407 | S | 26.3 | Very low | 25.4 | Very low | 69 Ų | 69 | 97.4 Ų | 97.4 | 48% | 0.483 | 53% | 0.53 | S | S | . | . | trans | -154.5 | 163.3 | -175.5 | -96.5 | 0 | 0 | 0 | 0 | 110.9 | V405 N1648 | V405-S407 WeakPolarHBondContact CG1-OG 3.38Å; V405-S407 PolarHBondContact O-N 3.4Å; S407-N1648 WeakPolarHBondContact CA-ND2 3.47Å; S407-N1648 PolarHBondContact N-OD1 2.89Å | ||
| 408 | G | 26.2 | Very low | 25.3 | Very low | 38 Ų | 38 | 94.9 Ų | 94.9 | 39% | 0.392 | 53% | 0.527 | S | S | . | . | cis | -167.3 | -42.7 | -2.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N1648 | G408-N1648 PolarHBondContact N-ND2 2.65Š| ||
| 409 | T | 25.9 | Very low | 25.2 | Very low | 108 Ų | 108 | 99.7 Ų | 99.7 | 66% | 0.663 | 55% | 0.549 | S | S | * | . | trans | 68.1 | 138.6 | -159.2 | 68.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 410 | C | 26.2 | Very low | 25.1 | Very low | 116 Ų | 116 | 102.5 Ų | 102.5 | 78% | 0.784 | 57% | 0.571 | S | S | * | * | trans | 62.5 | 139 | -179.4 | -56.3 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 411 | D | 23.8 | Very low | 25.2 | Very low | 138 Ų | 138 | 107.4 Ų | 107.4 | 74% | 0.738 | 60% | 0.595 | S | S | * | * | cis | -144 | 162.8 | 0.9 | -122.7 | -42.1 | 0 | 0 | 0 | 114.4 | P413 | D411-P413 WeakPolarHBondContact O-CD 2.99Š| ||
| 412 | R | 34.7 | Very low | 25.6 | Very low | 214 Ų | 214 | 106.4 Ų | 106.4 | 81% | 0.808 | 61% | 0.61 | S | S | * | * | trans | -61.4 | 124.7 | 169.3 | -169.6 | -178.1 | -174.6 | -179.3 | 1.6 | 108.8 | ||||
| 413 | P | 24.4 | Very low | 25.8 | Very low | 114 Ų | 114 | 110.5 Ų | 110.5 | 74% | 0.74 | 64% | 0.635 | S | S | * | * | -106.8 | 120.6 | 112.4 | 28.8 | -33.2 | 0 | 0 | 0 | 108.3 | D411 | D411-P413 WeakPolarHBondContact O-CD 2.99Š| |||
| 414 | S | 22.9 | Very low | 26.1 | Very low | 63 Ų | 63 | 114 Ų | 114 | 44% | 0.441 | 65% | 0.654 | S | S | . | * | 59.9 | 126.5 | 52.6 | 87.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 415 | N | 21.6 | Very low | 26.3 | Very low | 124 Ų | 124 | 122.8 Ų | 122.8 | 66% | 0.663 | 68% | 0.679 | S | S | * | * | trans | 67 | 112.8 | 175 | -44.5 | -28.5 | 0 | 0 | 0 | 112.5 | P417 | N415-P417 WeakPolarHBondContact O-CD 3.25Š| ||
| 416 | Y | 31.2 | Very low | 26.6 | Very low | 219 Ų | 219 | 123.6 Ų | 123.6 | 86% | 0.859 | 69% | 0.686 | S | S | * | * | 40.2 | 88.4 | 74 | -59.9 | -74.2 | 0 | 0 | 0 | 110.5 | |||||
| 417 | P | 26.4 | Very low | 26.8 | Very low | 117 Ų | 117 | 126.8 Ų | 126.8 | 76% | 0.76 | 70% | 0.699 | S | S | * | * | -102 | 111 | 114.6 | 27.1 | -32.1 | 0 | 0 | 0 | 108.1 | N415 | N415-P417 WeakPolarHBondContact O-CD 3.25Š| |||
| 418 | V | 21.4 | Very low | 26.8 | Very low | 108 Ų | 108 | 129 Ų | 129 | 66% | 0.655 | 71% | 0.711 | S | S | * | * | 98.7 | 106.6 | 85 | 152 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 419 | I | 22.7 | Very low | 27.4 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 73% | 0.728 | 73% | 0.727 | S | S | * | * | 59.2 | 77 | 77.8 | -56.1 | 161.8 | 0 | 0 | 0 | 109.9 | |||||
| 420 | S | 23.7 | Very low | 27.4 | Very low | 102 Ų | 102 | 132.1 Ų | 132.1 | 71% | 0.713 | 73% | 0.727 | S | S | * | * | trans | -179.2 | 127.7 | 132.7 | -77.4 | 0 | 0 | 0 | 0 | 107 | ||||
| 421 | N | 26.5 | Very low | 27.4 | Very low | 149 Ų | 149 | 131 Ų | 131 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | 60.2 | 73.3 | 65.6 | -54.8 | -14.2 | 0 | 0 | 0 | 111.6 | |||||
| 422 | A | 30.8 | Very low | 27.5 | Very low | 87 Ų | 87 | 133.2 Ų | 133.2 | 72% | 0.719 | 72% | 0.721 | S | S | * | * | trans | -171.8 | 118.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 423 | D | 30.8 | Very low | 27.1 | Very low | 135 Ų | 135 | 127.7 Ų | 127.7 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | cis | -153.3 | 158.3 | -4.3 | -103.4 | -40.6 | 0 | 0 | 0 | 111.6 | ||||
| 424 | I | 29.1 | Very low | 27.1 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | trans | 40.5 | 103.8 | 138.4 | -56.9 | 167.9 | 0 | 0 | 0 | 115.7 | ||||
| 425 | W | 29.2 | Very low | 27.2 | Very low | 233 Ų | 233 | 128.2 Ų | 128.2 | 88% | 0.883 | 73% | 0.728 | S | S | * | * | 56.7 | 152.5 | 89.7 | -78 | 53.8 | 0 | 0 | 0 | 115.5 | |||||
| 426 | P | 30.3 | Very low | 27.3 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | cis | -118.3 | -170.2 | -22.1 | 25.4 | -0.1 | 0 | 0 | 0 | 109.2 | ||||
| 427 | L | 28.2 | Very low | 27.2 | Very low | 155 Ų | 155 | 124.5 Ų | 124.5 | 81% | 0.812 | 73% | 0.727 | S | S | * | * | cis | -161.8 | 148 | 40.3 | -78.7 | 161.5 | 0 | 0 | 0 | 110.7 | ||||
| 428 | P | 26.8 | Very low | 27.3 | Very low | 115 Ų | 115 | 123.7 Ų | 123.7 | 75% | 0.747 | 72% | 0.722 | S | S | * | * | trans | -80.6 | -171.5 | 156.7 | 40 | -36.5 | 0 | 0 | 0 | 110 | ||||
| 429 | P | 38.4 | Very low | 27.6 | Very low | 111 Ų | 111 | 127.6 Ų | 127.6 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | trans | -75.4 | 177.5 | -144.8 | 36.5 | -41.5 | 0 | 0 | 0 | 115.6 | ||||
| 430 | P | 27.2 | Very low | 27.9 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 66% | 0.662 | 74% | 0.735 | S | S | * | * | -125.4 | 137.6 | 111.8 | 35.5 | -32.4 | 0 | 0 | 0 | 113.7 | F432 | P430-F432 HydrophobicContact CB-CE2 4.03Å; P430-F432 HydrophobicContact CG-CE2 4.24Å | |||
| 431 | P | 26.4 | Very low | 28.2 | Very low | 92 Ų | 92 | 128.8 Ų | 128.8 | 60% | 0.597 | 74% | 0.737 | S | S | * | * | trans | -84.4 | 147.1 | 164.7 | 35.2 | -32.4 | 0 | 0 | 0 | 111.3 | S433 | P431-S433 PolarHBondContact O-OG 3.4Š| ||
| 432 | F | 25.3 | Very low | 28.3 | Very low | 184 Ų | 184 | 129 Ų | 129 | 81% | 0.807 | 74% | 0.737 | S | S | * | * | trans | -142.5 | 117.8 | 159.5 | -67.1 | -79.4 | 0 | 0 | 0 | 106 | P430 | P430-F432 HydrophobicContact CB-CE2 4.03Å; P430-F432 HydrophobicContact CG-CE2 4.24Å | ||
| 433 | S | 26 | Very low | 28.2 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | cis | 68.2 | 53.3 | 5.6 | 92 | 0 | 0 | 0 | 0 | 116.8 | P431 | P431-S433 PolarHBondContact O-OG 3.4Š| ||
| 434 | A | 24.4 | Very low | 28.1 | Very low | 89 Ų | 89 | 129 Ų | 129 | 74% | 0.736 | 73% | 0.734 | S | S | * | * | -133.6 | 131.7 | 123 | 0 | 0 | 0 | 0 | 0 | 107.2 | |||||
| 435 | S | 24.3 | Very low | 28 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 74% | 0.736 | S | S | * | * | 72.2 | 111.2 | 53.1 | -93.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 436 | D | 24.3 | Very low | 28.4 | Very low | 131 Ų | 131 | 124 Ų | 124 | 70% | 0.701 | 73% | 0.726 | S | S | * | * | trans | 66.1 | 108.3 | 132.4 | -54.2 | -57.4 | 0 | 0 | 0 | 119.8 | ||||
| 437 | V | 29.1 | Very low | 28.4 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | trans | 75.1 | 157 | 132.4 | 170.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 438 | P | 27.8 | Very low | 28.3 | Very low | 101 Ų | 101 | 122.1 Ų | 122.1 | 66% | 0.656 | 71% | 0.713 | S | S | * | * | cis | -122 | 172.5 | 2.9 | 19.6 | 4.7 | 0 | 0 | 0 | 116.7 | ||||
| 439 | H | 27.9 | Very low | 28.2 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 88% | 0.875 | 72% | 0.715 | S | S | * | * | trans | -50.9 | 134 | 158.9 | -58.1 | -91.5 | 0 | 0 | 0 | 113 | ||||
| 440 | V | 30 | Very low | 27.5 | Very low | 128 Ų | 128 | 123.2 Ų | 123.2 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | trans | -131.4 | 115.6 | 162.1 | 178.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 441 | N | 28.8 | Very low | 27.4 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 76% | 0.759 | 68% | 0.675 | S | S | * | * | trans | -82.8 | 165.2 | 165.1 | -74 | -59.6 | 0 | 0 | 0 | 109.6 | ||||
| 442 | I | 28.5 | Very low | 27.7 | Very low | 154 Ų | 154 | 119.5 Ų | 119.5 | 79% | 0.79 | 66% | 0.663 | S | S | * | * | trans | 78.5 | 141.5 | 173.3 | -49.6 | 151.5 | 0 | 0 | 0 | 112.6 | ||||
| 443 | P | 29.6 | Very low | 28.2 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 65% | 0.649 | 66% | 0.662 | S | S | * | * | cis | -106.8 | 173.4 | -7.7 | 43.7 | -32.8 | 0 | 0 | 0 | 110.9 | ||||
| 444 | T | 28.2 | Very low | 28.6 | Very low | 121 Ų | 121 | 119.3 Ų | 119.3 | 74% | 0.742 | 66% | 0.664 | S | S | * | * | 54.2 | 90 | 56.2 | -13.5 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 445 | N | 26.9 | Very low | 28.8 | Very low | 134 Ų | 134 | 120.5 Ų | 120.5 | 72% | 0.717 | 66% | 0.658 | S | S | * | * | trans | 64.7 | 115.1 | 170.5 | -61.6 | -20.7 | 0 | 0 | 0 | 117.9 | ||||
| 446 | L | 37.3 | Very low | 29 | Very low | 128 Ų | 128 | 120.5 Ų | 120.5 | 67% | 0.67 | 65% | 0.647 | S | S | * | * | 42.6 | 139 | 110.8 | -73.3 | 159.2 | 0 | 0 | 0 | 119.2 | F448 | L446-F448 HydrophobicContact CB-CD2 4.22Å; L446-F448 HydrophobicContact CD1-CD2 4.36Å; L446-F448 HydrophobicContact CD1-CE2 4.11Å; L446-F448 HydrophobicContact CD2-CD2 4.09Å; L446-F448 HydrophobicContact CD2-CE2 4.5Å; L446-F448 HydrophobicContact CG-CD2 4.46Å | |||
| 447 | P | 30.8 | Very low | 29.1 | Very low | 115 Ų | 115 | 123 Ų | 123 | 75% | 0.747 | 65% | 0.648 | S | S | * | * | -117.6 | 156.4 | 82.6 | 42.3 | -39.9 | 0 | 0 | 0 | 110.7 | |||||
| 448 | F | 26.5 | Very low | 29 | Very low | 98 Ų | 98 | 120 Ų | 120 | 43% | 0.43 | 63% | 0.625 | S | S | . | * | 52.4 | 113.8 | 61.4 | -75.6 | -103.3 | 0 | 0 | 0 | 113.8 | L446 V450 H451 | L446-F448 HydrophobicContact CB-CD2 4.22Å; L446-F448 HydrophobicContact CD1-CD2 4.36Å; L446-F448 HydrophobicContact CD1-CE2 4.11Å; L446-F448 HydrophobicContact CD2-CD2 4.09Å; L446-F448 HydrophobicContact CD2-CE2 4.5Å; L446-F448 HydrophobicContact CG-CD2 4.46Å; F448-V450 HydrophobicContact CB-CG2 4.18Å; F448-V450 HydrophobicContact CD1-CG2 3.82Å; F448-V450 HydrophobicContact CG-CG2 4.48Å; F448-H451 HydrophobicContact CE1-CB 4.14Å; F448-H451 AromaticContact CE1-CE1 3.89Å; F448-H451 AromaticContact CE1-CG 3.61Å; F448-H451 AromaticContact CE1-ND1 3.5Å | |||
| 449 | R | 25.5 | Very low | 28.9 | Very low | 210 Ų | 210 | 121.6 Ų | 121.6 | 79% | 0.792 | 63% | 0.627 | S | S | * | * | S | Bend | -147.7 | 103.9 | 114 | -150.8 | 172.6 | -167.7 | 157.3 | 10.1 | 112.2 | |||
| 450 | V | 23.5 | Very low | 28.7 | Very low | 38 Ų | 38 | 115.4 Ų | 115.4 | 23% | 0.23 | 61% | 0.614 | C | S | . | * | S | Bend | cis | -150.1 | 120.2 | -10.2 | 75.5 | 0 | 0 | 0 | 0 | 108.1 | F448 S1761 S1762 | F448-V450 HydrophobicContact CB-CG2 4.18Å; F448-V450 HydrophobicContact CD1-CG2 3.82Å; F448-V450 HydrophobicContact CG-CG2 4.48Å; V450-S1761 VanDerWaalsContact CG1-C 3.44Å; V450-S1761 CarbonylContact O-C 2.94Å; V450-S1761 PolarHBondContact O-N 3.37Å; V450-S1762 PolarHBondContact O-N 2.73Å |
| 451 | H | 25.1 | Very low | 28.5 | Very low | 69 Ų | 69 | 116.6 Ų | 116.6 | 32% | 0.319 | 61% | 0.614 | S | S | . | * | trans | 65.1 | 154.6 | -175.7 | -42.8 | -105.4 | 0 | 0 | 0 | 112.8 | F448 D1759 K1760 S1761 | F448-H451 HydrophobicContact CE1-CB 4.14Å; F448-H451 AromaticContact CE1-CE1 3.89Å; F448-H451 AromaticContact CE1-CG 3.61Å; F448-H451 AromaticContact CE1-ND1 3.5Å; H451-D1759 VanDerWaalsContact CE1-CB 3.45Å; H451-D1759 WeakPolarHBondContact CE1-CB 3.39Å; H451-K1760 WeakPolarHBondContact CB-O 3.48Å; H451-K1760 PolarHBondContact CD2-O 3.04Å; H451-K1760 VanDerWaalsContact CG-C 3.41Å; H451-K1760 PolarHBondContact ND1-O 3.25Å; H451-K1760 PolarHBondContact NE2-N 2.87Å; H451-S1761 PolarHBondContact CD2-N 2.67Å | ||
| 452 | S | 32.5 | Very low | 28.3 | Very low | 47 Ų | 47 | 117.3 Ų | 117.3 | 33% | 0.329 | 62% | 0.618 | S | S | . | * | cis | 55.8 | 148.8 | 49.8 | -49 | 0 | 0 | 0 | 0 | 111.3 | E454 | S452-E454 PolarHBondContact OG-OE2 3.36Å; S452-E454 VanDerWaalsContact OG-OE2 3.13Å | ||
| 453 | P | 34.6 | Very low | 28.4 | Very low | 123 Ų | 123 | 116 Ų | 116 | 80% | 0.799 | 62% | 0.617 | S | S | * | * | cis | -81.6 | 146.6 | 30.8 | 30.4 | -36.3 | 0 | 0 | 0 | 114.7 | D455 | P453-D455 VanDerWaalsContact CB-N 3.3Š| ||
| 454 | E | 34.8 | Very low | 28.2 | Very low | 155 Ų | 155 | 118 Ų | 118 | 72% | 0.724 | 62% | 0.618 | S | S | * | * | cis | 20.9 | 79.6 | 1.3 | -53.4 | 179.9 | 147 | 0 | 0 | 116.9 | S452 | S452-E454 PolarHBondContact OG-OE2 3.36Å; S452-E454 VanDerWaalsContact OG-OE2 3.13Å | ||
| 455 | D | 28.7 | Very low | 27.9 | Very low | 114 Ų | 114 | 121.5 Ų | 121.5 | 61% | 0.61 | 62% | 0.618 | S | S | * | * | -121.9 | 129.1 | 92.7 | -77.5 | -39.4 | 0 | 0 | 0 | 105.4 | P453 H458 | P453-D455 VanDerWaalsContact CB-N 3.3Å; D455-H458 IonicContact OD1-NE2 2.72Å | |||
| 456 | E | 29.4 | Very low | 27.8 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 47% | 0.472 | 61% | 0.613 | S | S | . | * | 55.6 | 125.4 | 65.4 | -72.4 | -146.2 | 78 | 0 | 0 | 113.5 | H458 I459 | E456-H458 HydrophobicContact CB-CB 4.44Å; E456-H458 WeakPolarHBondContact OE1-CA 3.37Å; E456-H458 IonicContact OE1-CE1 2.75Å; E456-H458 IonicContact OE1-CG 3.77Å; E456-H458 IonicContact OE1-ND1 2.9Å; E456-H458 PolarHBondContact OE1-ND1 3.02Å; E456-H458 IonicContact OE2-CE1 3.67Å; E456-H458 PolarHBondContact OE2-CE1 2.85Å; E456-H458 IonicContact OE2-ND1 3Å; E456-H458 PolarHBondContact OE2-ND1 3.28Å; E456-I459 PolarHBondContact OE1-N 3.32Å | |||
| 457 | Y | 26.6 | Very low | 27.1 | Very low | 182 Ų | 182 | 120.1 Ų | 120.1 | 71% | 0.714 | 61% | 0.609 | S | S | * | * | S | Bend | -146.1 | 111.7 | 118.7 | -105.3 | -76 | 0 | 0 | 0 | 108.8 | |||
| 458 | H | 26.9 | Very low | 26.7 | Very low | 70 Ų | 70 | 120.5 Ų | 120.5 | 32% | 0.324 | 60% | 0.596 | S | S | . | * | cis | -172 | 157 | -20.6 | -124.3 | -69.7 | 0 | 0 | 0 | 106.4 | D455 E456 | D455-H458 IonicContact OD1-NE2 2.72Å; E456-H458 HydrophobicContact CB-CB 4.44Å; E456-H458 WeakPolarHBondContact OE1-CA 3.37Å; E456-H458 IonicContact OE1-CE1 2.75Å; E456-H458 IonicContact OE1-CG 3.77Å; E456-H458 IonicContact OE1-ND1 2.9Å; E456-H458 PolarHBondContact OE1-ND1 3.02Å; E456-H458 IonicContact OE2-CE1 3.67Å; E456-H458 PolarHBondContact OE2-CE1 2.85Å; E456-H458 IonicContact OE2-ND1 3Å; E456-H458 PolarHBondContact OE2-ND1 3.28Å | ||
| 459 | I | 25.1 | Very low | 26.5 | Very low | 136 Ų | 136 | 119 Ų | 119 | 70% | 0.697 | 60% | 0.601 | S | S | * | * | trans | 56.3 | 139.6 | 144.3 | -70 | 159 | 0 | 0 | 0 | 121.1 | E456 | E456-I459 PolarHBondContact OE1-N 3.32Š| ||
| 460 | G | 23.9 | Very low | 26.5 | Very low | 58 Ų | 58 | 112 Ų | 112 | 60% | 0.598 | 58% | 0.581 | S | S | * | * | trans | 114 | 71.1 | 144.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 461 | I | 26.2 | Very low | 26.5 | Very low | 154 Ų | 154 | 116.7 Ų | 116.7 | 79% | 0.79 | 60% | 0.601 | S | S | * | * | 45.4 | 96.2 | 64.2 | -51.5 | 178.5 | 0 | 0 | 0 | 112.2 | |||||
| 462 | N | 24.8 | Very low | 26.6 | Very low | 157 Ų | 157 | 117 Ų | 117 | 84% | 0.84 | 61% | 0.611 | S | S | * | * | -159.3 | 133.9 | 126.1 | -114.6 | -23.8 | 0 | 0 | 0 | 112.9 | |||||
| 463 | T | 30.2 | Very low | 26.4 | Very low | 126 Ų | 126 | 122.2 Ų | 122.2 | 77% | 0.773 | 63% | 0.63 | S | S | * | * | trans | -95.4 | 171.9 | 170.5 | 43.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 464 | E | 24.2 | Very low | 26.1 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 66% | 0.659 | 62% | 0.62 | S | S | * | * | trans | 75.9 | 151.6 | -175.3 | -62.8 | -147.4 | 79.6 | 0 | 0 | 115.8 | ||||
| 465 | R | 23 | Very low | 25.8 | Very low | 195 Ų | 195 | 116.8 Ų | 116.8 | 74% | 0.736 | 60% | 0.603 | S | S | * | * | cis | -131.1 | 156 | -1.2 | -104.5 | 133.3 | -159.6 | -168.3 | 15.3 | 109 | ||||
| 466 | L | 24.2 | Very low | 25.9 | Very low | 119 Ų | 119 | 114.2 Ų | 114.2 | 62% | 0.623 | 59% | 0.587 | S | S | * | * | 68.6 | 151.3 | 54.4 | -136.1 | 80.5 | 0 | 0 | 0 | 116.1 | |||||
| 467 | I | 23.3 | Very low | 25.6 | Very low | 114 Ų | 114 | 113.8 Ų | 113.8 | 59% | 0.585 | 60% | 0.595 | S | S | * | * | trans | 69.3 | 169.2 | 163.4 | -77.7 | 171.1 | 0 | 0 | 0 | 118.7 | K2099 | I467-K2099 WeakPolarHBondContact O-CD 3.32Å; I467-K2099 VanDerWaalsContact O-CE 3.24Å; I467-K2099 WeakPolarHBondContact O-CE 3.42Å; I467-K2099 PolarHBondContact O-NZ 3.2Å | ||
| 468 | R | 22.6 | Very low | 25.6 | Very low | 124 Ų | 124 | 111.4 Ų | 111.4 | 47% | 0.468 | 59% | 0.594 | S | S | . | * | trans | -115.4 | 179 | -133.4 | -70.9 | 169.6 | 169.8 | 129.1 | -2.1 | 116.3 | S2100 D2101 | R468-S2100 WeakPolarHBondContact CG-OG 3.44Å; R468-S2100 PolarHBondContact NE-OG 2.72Å; R468-S2100 PolarHBondContact NH2-O 3.41Å; R468-D2101 PolarHBondContact NH2-O 2.96Å | ||
| 469 | A | 22.4 | Very low | 25.5 | Very low | 66 Ų | 66 | 111.2 Ų | 111.2 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | trans | 77.3 | 127.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | H2098 | A469-H2098 PolarHBondContact O-CD2 3.45Š| ||
| 470 | V | 24.2 | Very low | 25.4 | Very low | 62 Ų | 62 | 112 Ų | 112 | 38% | 0.376 | 61% | 0.607 | S | S | . | * | 76.7 | 113.3 | 54.3 | 176.8 | 0 | 0 | 0 | 0 | 112.2 | N2096 D2097 | V470-N2096 HydrophobicContact CG1-CB 4.35Å; V470-D2097 WeakPolarHBondContact CA-OD2 3.3Å; V470-D2097 HydrophobicContact CB-CB 4.29Å; V470-D2097 HydrophobicContact CG2-CB 3.7Å; V470-D2097 VanDerWaalsContact CG2-O 3.23Å; V470-D2097 WeakPolarHBondContact CG2-O 3.2Å; V470-D2097 VanDerWaalsContact N-CB 3.27Å; V470-D2097 PolarHBondContact N-OD2 3.21Å | |||
| 471 | Q | 24.6 | Very low | 25.6 | Very low | 138 Ų | 138 | 112.7 Ų | 112.7 | 65% | 0.645 | 61% | 0.614 | S | S | * | * | trans | 89.9 | 94.6 | 161.9 | -71.1 | 160.1 | 12.7 | 0 | 0 | 120.1 | N2096 | Q471-N2096 WeakPolarHBondContact CA-OD1 3.28Å; Q471-N2096 PolarHBondContact N-OD1 3.48Å | ||
| 472 | S | 25.8 | Very low | 25.8 | Very low | 75 Ų | 75 | 110.6 Ų | 110.6 | 52% | 0.524 | 61% | 0.61 | S | S | . | * | 89.7 | 149.9 | 118.7 | 82.3 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 473 | H | 29.1 | Very low | 25.9 | Very low | 157 Ų | 157 | 107.8 Ų | 107.8 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | trans | 57.8 | 119.5 | 156 | -65.6 | -50.2 | 0 | 0 | 0 | 121.2 | ||||
| 474 | N | 28.6 | Very low | 25.7 | Very low | 111 Ų | 111 | 110 Ų | 110 | 59% | 0.594 | 59% | 0.589 | S | S | * | * | 48.8 | 143.6 | 123.8 | -58.2 | -43.3 | 0 | 0 | 0 | 119.8 | F476 | N474-F476 HydrophobicContact CB-CD2 4.07Å; N474-F476 HydrophobicContact CB-CE2 3.43Å; N474-F476 VanDerWaalsContact CB-CE2 3.43Å; N474-F476 HydrophobicContact CB-CZ 3.79Å | |||
| 475 | S | 27.3 | Very low | 25.8 | Very low | 52 Ų | 52 | 110.8 Ų | 110.8 | 36% | 0.364 | 59% | 0.591 | S | S | . | * | 173.6 | 160.8 | 80.1 | -66.6 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 476 | F | 31.2 | Very low | 25.9 | Very low | 61 Ų | 61 | 106.2 Ų | 106.2 | 27% | 0.268 | 59% | 0.587 | S | S | . | * | cis | -179.1 | -172.7 | -19.2 | -78.7 | 152.5 | 0 | 0 | 0 | 103.7 | N474 N683 D684 K685 | N474-F476 HydrophobicContact CB-CD2 4.07Å; N474-F476 HydrophobicContact CB-CE2 3.43Å; N474-F476 VanDerWaalsContact CB-CE2 3.43Å; N474-F476 HydrophobicContact CB-CZ 3.79Å; F476-N683 PolarHBondContact O-N 2.91Å; F476-D684 VanDerWaalsContact CB-CA 3.41Å; F476-D684 HydrophobicContact CD1-CB 4.38Å; F476-D684 WeakPolarHBondContact CD1-OD1 3.37Å; F476-D684 WeakPolarHBondContact CD1-OD2 3.42Å; F476-K685 HydrophobicContact CD1-CD 4.29Å; F476-K685 HydrophobicContact CD1-CG 3.96Å; F476-K685 HydrophobicContact CD2-CG 4.03Å; F476-K685 HydrophobicContact CE1-CD 3.76Å; F476-K685 HydrophobicContact CE1-CG 3.91Å; F476-K685 HydrophobicContact CE2-CD 4.22Å; F476-K685 HydrophobicContact CE2-CG 3.95Å; F476-K685 HydrophobicContact CG-CG 4.09Å; F476-K685 HydrophobicContact CZ-CD 3.77Å; F476-K685 HydrophobicContact CZ-CG 3.96Å; F476-K685 VanDerWaalsContact CZ-NZ 3.3Å | ||
| 477 | S | 24.4 | Very low | 25.9 | Very low | 92 Ų | 92 | 105.5 Ų | 105.5 | 64% | 0.643 | 59% | 0.588 | S | S | * | * | B | Isolated β-bridge | trans | -150.1 | 117 | 173.9 | 62.6 | 0 | 0 | 0 | 0 | 116.3 | D684 | S477-D684 CarbonylContact C-O 3.3Å |
| 478 | N | 25.4 | Very low | 26 | Very low | 131 Ų | 131 | 105.8 Ų | 105.8 | 70% | 0.701 | 60% | 0.595 | S | S | * | * | S | Bend | trans | 104.3 | 80.3 | -166.4 | -71.3 | -12.3 | 0 | 0 | 0 | 120.8 | N683 D684 | N478-N683 CarbonylContact C-O 3.52Å; N478-N683 WeakPolarHBondContact CA-O 3.18Å; N478-N683 PolarHBondContact N-O 3.4Å; N478-D684 CarbonylContact C-O 3.09Å; N478-D684 VanDerWaalsContact CA-N 3.34Å; N478-D684 WeakPolarHBondContact CA-O 3.34Å; N478-D684 WeakPolarHBondContact CB-O 3.45Å; N478-D684 PolarHBondContact N-O 3.08Å; N478-D684 CarbonylContact O-C 3.26Å; N478-D684 VanDerWaalsContact O-C 3.3Å; N478-D684 WeakPolarHBondContact O-CB 3.3Å; N478-D684 PolarHBondContact O-N 3.41Å |
| 479 | S | 24.2 | Very low | 26.2 | Very low | 66 Ų | 66 | 104 Ų | 104 | 46% | 0.462 | 60% | 0.601 | S | S | . | * | 131.5 | 147.1 | 129.6 | 77.2 | 0 | 0 | 0 | 0 | 117.8 | N683 D684 | S479-N683 PolarHBondContact N-O 3.44Å; S479-D684 VanDerWaalsContact N-N 3.19Å | |||
| 480 | N | 24.7 | Very low | 26.4 | Very low | 154 Ų | 154 | 107 Ų | 107 | 82% | 0.824 | 61% | 0.609 | S | S | * | * | trans | 49.3 | 97 | 150.8 | -54.6 | -24.4 | 0 | 0 | 0 | 118 | ||||
| 481 | G | 27.7 | Very low | 26.6 | Very low | 72 Ų | 72 | 110.3 Ų | 110.3 | 74% | 0.742 | 62% | 0.623 | S | S | * | * | trans | -74.5 | -131.5 | 149.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 482 | P | 30.4 | Very low | 27.1 | Very low | 109 Ų | 109 | 111.2 Ų | 111.2 | 71% | 0.708 | 63% | 0.627 | S | S | * | * | cis | -114.9 | -153.3 | 4.5 | 32.4 | -11.9 | 0 | 0 | 0 | 110.2 | ||||
| 483 | D | 26.1 | Very low | 27.5 | Very low | 99 Ų | 99 | 111.8 Ų | 111.8 | 53% | 0.529 | 63% | 0.629 | S | S | . | * | trans | 75.3 | 122.7 | 153.8 | -65.4 | -30.4 | 0 | 0 | 0 | 117.6 | ||||
| 484 | R | 26.3 | Very low | 27.6 | Very low | 171 Ų | 171 | 110 Ų | 110 | 65% | 0.645 | 63% | 0.625 | S | S | * | * | 62.1 | 135.6 | 98.4 | -54.1 | 178.3 | -116.1 | 160.8 | 5.8 | 112.1 | |||||
| 485 | F | 25.6 | Very low | 27.4 | Very low | 159 Ų | 159 | 110 Ų | 110 | 70% | 0.697 | 63% | 0.633 | S | S | * | * | cis | -137 | 144.3 | 30.3 | -88 | -87 | 0 | 0 | 0 | 107.9 | ||||
| 486 | C | 24.8 | Very low | 27.2 | Very low | 98 Ų | 98 | 113.9 Ų | 113.9 | 66% | 0.662 | 65% | 0.649 | S | S | * | * | 57 | 147.6 | 81.1 | -57.4 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 487 | T | 25.2 | Very low | 26.9 | Very low | 105 Ų | 105 | 116.3 Ų | 116.3 | 64% | 0.644 | 67% | 0.669 | S | S | * | * | cis | -159.5 | 162.3 | 19.8 | -17.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 488 | T | 25.1 | Very low | 26.8 | Very low | 120 Ų | 120 | 116.4 Ų | 116.4 | 74% | 0.736 | 66% | 0.662 | S | S | * | * | trans | 59.1 | 170.9 | 149.1 | 57.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 489 | S | 27.1 | Very low | 26.8 | Very low | 85 Ų | 85 | 118 Ų | 118 | 59% | 0.594 | 67% | 0.665 | S | S | * | * | trans | 64 | 119.7 | 135.2 | 59.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 490 | D | 27.4 | Very low | 26.8 | Very low | 131 Ų | 131 | 118.5 Ų | 118.5 | 70% | 0.701 | 67% | 0.669 | S | S | * | * | cis | -169 | 149.1 | -4.3 | -114.2 | -35.7 | 0 | 0 | 0 | 109.1 | ||||
| 491 | I | 27.6 | Very low | 26.9 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 67% | 0.667 | 66% | 0.664 | S | S | * | * | trans | 68.1 | 125.6 | 153 | -61.8 | 161.4 | 0 | 0 | 0 | 111.9 | P493 | I491-P493 HydrophobicContact CG2-CG 4.14Š| ||
| 492 | E | 35.6 | Very low | 26.8 | Very low | 158 Ų | 158 | 121.6 Ų | 121.6 | 74% | 0.738 | 66% | 0.663 | S | S | * | * | 48.5 | -170.9 | 64.5 | -108.2 | -150.4 | -121 | 0 | 0 | 111.4 | N494 | E492-N494 PolarHBondContact OE2-ND2 2.86Š| |||
| 493 | P | 34.4 | Very low | 26.7 | Very low | 86 Ų | 86 | 127 Ų | 127 | 56% | 0.558 | 67% | 0.669 | S | S | * | * | cis | -109.9 | 172.1 | -16.3 | 33.4 | -16.1 | 0 | 0 | 0 | 112.8 | I491 S495 | I491-P493 HydrophobicContact CG2-CG 4.14Å; P493-S495 PolarHBondContact O-N 3Å | ||
| 494 | N | 30.8 | Very low | 27 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 65% | 0.647 | 68% | 0.682 | S | S | * | * | -10 | 101.4 | 128.7 | -56.1 | -85.6 | 0 | 0 | 0 | 114.4 | E492 | E492-N494 PolarHBondContact OE2-ND2 2.86Š| |||
| 495 | S | 24 | Very low | 27.3 | Very low | 110 Ų | 110 | 125.6 Ų | 125.6 | 77% | 0.769 | 68% | 0.679 | S | S | * | * | trans | -133.2 | 86.2 | 145.8 | -152.2 | 0 | 0 | 0 | 0 | 106.9 | P493 | P493-S495 PolarHBondContact O-N 3Š| ||
| 496 | L | 23.5 | Very low | 27.2 | Very low | 133 Ų | 133 | 124.9 Ų | 124.9 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | 69.8 | 145.1 | 79.4 | -71.6 | 164.7 | 0 | 0 | 0 | 111.6 | |||||
| 497 | V | 23.9 | Very low | 27.2 | Very low | 112 Ų | 112 | 124.4 Ų | 124.4 | 68% | 0.679 | 68% | 0.68 | S | S | * | * | trans | 67 | 119.2 | 137.1 | 166.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 498 | N | 23.8 | Very low | 27 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 51% | 0.508 | 69% | 0.689 | S | S | . | * | cis | -174.4 | 157.6 | 1.2 | -119.1 | -6.7 | 0 | 0 | 0 | 112.7 | S500 | N498-S500 PolarHBondContact O-OG 2.75Š| ||
| 499 | Q | 24.3 | Very low | 26.9 | Very low | 163 Ų | 163 | 128.5 Ų | 128.5 | 76% | 0.762 | 69% | 0.687 | S | S | * | * | trans | 56.3 | -167.9 | 136.1 | -63.7 | 163.2 | -27.2 | 0 | 0 | 118.4 | ||||
| 500 | S | 24.5 | Very low | 27.4 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 55% | 0.545 | 70% | 0.697 | S | S | . | * | trans | 59.7 | 95.6 | 146.8 | 49 | 0 | 0 | 0 | 0 | 116.5 | N498 | N498-S500 PolarHBondContact O-OG 2.75Š| ||
| 501 | E | 26.8 | Very low | 27.3 | Very low | 154 Ų | 154 | 131.6 Ų | 131.6 | 72% | 0.72 | 70% | 0.696 | S | S | * | * | cis | -157.2 | 136.1 | 3.1 | -135.7 | 114.8 | -112.1 | 0 | 0 | 110.3 | ||||
| 502 | L | 26.2 | Very low | 27.5 | Very low | 136 Ų | 136 | 132 Ų | 132 | 71% | 0.712 | 70% | 0.7 | S | S | * | * | 18.3 | 109 | 106.3 | -57.8 | 87.5 | 0 | 0 | 0 | 112.5 | |||||
| 503 | R | 28.3 | Very low | 26.9 | Very low | 224 Ų | 224 | 131.9 Ų | 131.9 | 85% | 0.845 | 70% | 0.704 | S | S | * | * | -167.6 | 112.7 | 84.7 | -96.1 | 149.8 | -165.1 | -109 | 0.5 | 114.1 | |||||
| 504 | N | 32.7 | Very low | 26.6 | Very low | 150 Ų | 150 | 133.2 Ų | 133.2 | 80% | 0.802 | 71% | 0.71 | S | S | * | * | -36.5 | 139.8 | 121.7 | -153 | 21.2 | 0 | 0 | 0 | 109.1 | |||||
| 505 | P | 30.8 | Very low | 26.3 | Very low | 90 Ų | 90 | 133.1 Ų | 133.1 | 58% | 0.584 | 71% | 0.714 | S | S | * | * | cis | -153.5 | -155.6 | 46.2 | 31.5 | -3.2 | 0 | 0 | 0 | 115 | ||||
| 506 | L | 23.5 | Very low | 26.4 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 75% | 0.749 | 71% | 0.709 | S | S | * | * | trans | 79 | 130.4 | 162.2 | -49 | 176.3 | 0 | 0 | 0 | 113.6 | ||||
| 507 | S | 24.7 | Very low | 26.6 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 62% | 0.622 | 71% | 0.708 | S | S | * | * | cis | 66.2 | 136.7 | 45.6 | 95.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 508 | Y | 23.1 | Very low | 26.7 | Very low | 213 Ų | 213 | 136.9 Ų | 136.9 | 84% | 0.835 | 71% | 0.706 | S | S | * | * | trans | 90.7 | 97 | -160 | -79 | -93.8 | 0 | 0 | 0 | 115.1 | ||||
| 509 | S | 22 | Very low | 26.9 | Very low | 98 Ų | 98 | 137.4 Ų | 137.4 | 69% | 0.685 | 71% | 0.709 | S | S | * | * | 56.3 | 164.1 | 127.1 | 67.4 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 510 | Q | 36.7 | Very low | 26.9 | Very low | 175 Ų | 175 | 133.4 Ų | 133.4 | 82% | 0.818 | 70% | 0.699 | S | S | * | * | trans | -40.6 | 140.5 | 145.9 | -57.7 | 174.3 | -43 | 0 | 0 | 109.4 | ||||
| 511 | P | 26.7 | Very low | 27 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 68% | 0.682 | 70% | 0.701 | S | S | * | * | -144.4 | 155.1 | 81.4 | 45.1 | -29.9 | 0 | 0 | 0 | 112.5 | |||||
| 512 | N | 30.2 | Very low | 27.1 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 74% | 0.743 | 70% | 0.699 | S | S | * | * | 31.2 | 107.8 | 85 | -80 | -29.5 | 0 | 0 | 0 | 114.4 | |||||
| 513 | L | 24.2 | Very low | 27.1 | Very low | 156 Ų | 156 | 135.6 Ų | 135.6 | 82% | 0.817 | 69% | 0.692 | S | S | * | * | 179.5 | 113 | 120.8 | -107.9 | 97.2 | 0 | 0 | 0 | 106.9 | |||||
| 514 | V | 28.1 | Very low | 27 | Very low | 114 Ų | 114 | 131.6 Ų | 131.6 | 69% | 0.691 | 68% | 0.683 | S | S | * | * | 94.2 | 150.6 | 67.8 | 158.3 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 515 | T | 24.2 | Very low | 26.7 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 72% | 0.724 | 68% | 0.676 | S | S | * | * | trans | 86.8 | 121 | -170 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 516 | Q | 25.6 | Very low | 26.5 | Very low | 143 Ų | 143 | 131 Ų | 131 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | cis | -160.5 | 152.8 | -10 | -136 | 168.2 | -26.9 | 0 | 0 | 112.8 | ||||
| 517 | Y | 28.6 | Very low | 26.6 | Very low | 170 Ų | 170 | 130.4 Ų | 130.4 | 67% | 0.667 | 67% | 0.672 | S | S | * | * | trans | 64 | 101.7 | 174.8 | -64.5 | -72.1 | 0 | 0 | 0 | 114.4 | ||||
| 518 | D | 26.6 | Very low | 26.8 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 65% | 0.647 | 67% | 0.673 | S | S | * | * | 79.3 | 133.6 | 73.1 | -69.6 | 17 | 0 | 0 | 0 | 109.7 | |||||
| 519 | D | 26.6 | Very low | 27 | Very low | 107 Ų | 107 | 128.3 Ų | 128.3 | 57% | 0.572 | 66% | 0.662 | S | S | * | * | cis | -148 | 156.9 | -1.7 | -122.8 | -9 | 0 | 0 | 0 | 107.6 | ||||
| 520 | S | 25.2 | Very low | 27.1 | Very low | 78 Ų | 78 | 127 Ų | 127 | 55% | 0.545 | 65% | 0.653 | S | S | . | * | 45 | 152.6 | 74.2 | -34.9 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 521 | I | 26.7 | Very low | 26.7 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 60% | 0.595 | 64% | 0.643 | S | S | * | * | cis | -123.6 | 125.4 | 15.9 | -98.8 | 98.3 | 0 | 0 | 0 | 105.5 | ||||
| 522 | R | 28 | Very low | 26.8 | Very low | 177 Ų | 177 | 123.7 Ų | 123.7 | 67% | 0.668 | 64% | 0.639 | S | S | * | * | 56.1 | 154.7 | 75.7 | -60.7 | 167.7 | 90.1 | -165.3 | 12.6 | 111.1 | |||||
| 523 | Q | 27.3 | Very low | 26.8 | Very low | 122 Ų | 122 | 123.4 Ų | 123.4 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | trans | 62.7 | 128.4 | 148.9 | -70.2 | 160.3 | 1 | 0 | 0 | 117.5 | ||||
| 524 | Q | 25.8 | Very low | 27.2 | Very low | 140 Ų | 140 | 121.4 Ų | 121.4 | 65% | 0.654 | 62% | 0.622 | S | S | * | * | cis | -172 | -173.7 | 1.3 | -132.4 | 170.3 | 8.2 | 0 | 0 | 107.6 | ||||
| 525 | N | 25.9 | Very low | 27 | Very low | 125 Ų | 125 | 117 Ų | 117 | 67% | 0.668 | 60% | 0.597 | S | S | * | * | trans | 37.5 | 120.2 | 137 | -60.2 | -15.1 | 0 | 0 | 0 | 118.2 | ||||
| 526 | V | 26.2 | Very low | 27.2 | Very low | 101 Ų | 101 | 117.1 Ų | 117.1 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | cis | -171.3 | -170.5 | 14.1 | 86.1 | 0 | 0 | 0 | 0 | 109.4 | H528 | V526-H528 PolarHBondContact O-N 2.68Š| ||
| 527 | Q | 26.4 | Very low | 27.3 | Very low | 132 Ų | 132 | 113.4 Ų | 113.4 | 62% | 0.617 | 57% | 0.574 | S | S | * | * | trans | -23.5 | 127.5 | 156.6 | -46.1 | 121.2 | -6.1 | 0 | 0 | 111.3 | ||||
| 528 | H | 29 | Very low | 27.4 | Very low | 140 Ų | 140 | 109.6 Ų | 109.6 | 65% | 0.648 | 57% | 0.565 | S | S | * | * | -152.5 | 128.4 | 70.4 | -112.1 | -89.5 | 0 | 0 | 0 | 109.9 | V526 | V526-H528 PolarHBondContact O-N 2.68Š| |||
| 529 | L | 26.8 | Very low | 27.5 | Very low | 117 Ų | 117 | 111.3 Ų | 111.3 | 61% | 0.613 | 57% | 0.571 | S | S | * | * | 39.5 | 107.9 | 67.2 | -74.4 | 172.7 | 0 | 0 | 0 | 110.5 | |||||
| 530 | S | 25.3 | Very low | 27.5 | Very low | 70 Ų | 70 | 111.6 Ų | 111.6 | 49% | 0.49 | 58% | 0.576 | S | S | . | * | cis | 176.9 | 146 | 28.6 | 43 | 0 | 0 | 0 | 0 | 108 | ||||
| 531 | N | 27 | Very low | 27.5 | Very low | 115 Ų | 115 | 112 Ų | 112 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | 37.5 | 121.5 | 117.7 | -31.5 | -10.2 | 0 | 0 | 0 | 116.2 | |||||
| 532 | T | 28.9 | Very low | 27.4 | Very low | 96 Ų | 96 | 113.1 Ų | 113.1 | 59% | 0.589 | 59% | 0.586 | S | S | * | * | 70.9 | -174.6 | 120.9 | 71.3 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 533 | H | 31.6 | Very low | 27.3 | Very low | 133 Ų | 133 | 109.2 Ų | 109.2 | 62% | 0.616 | 59% | 0.586 | S | S | * | * | cis | -146.8 | -151.3 | 7.1 | -142.8 | -23.9 | 0 | 0 | 0 | 113.4 | A535 | H533-A535 PolarHBondContact O-N 3.32Š| ||
| 534 | I | 31.3 | Very low | 27.1 | Very low | 115 Ų | 115 | 110.1 Ų | 110.1 | 59% | 0.59 | 59% | 0.594 | S | S | * | * | 16.8 | 108.3 | 106.4 | -46.2 | 154.6 | 0 | 0 | 0 | 109.8 | S247 P248 | S247-I534 PolarHBondContact OG-O 2.93Å; P248-I534 WeakPolarHBondContact CB-O 2.95Å | |||
| 535 | A | 25.3 | Very low | 27.1 | Very low | 20 Ų | 20 | 110.7 Ų | 110.7 | 17% | 0.165 | 60% | 0.597 | C | S | . | * | -151.4 | 149.2 | 64.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | P248 A249 H533 | P248-A535 HydrophobicContact CB-CB 3.26Å; P248-A535 VanDerWaalsContact CB-N 3.27Å; P248-A535 HydrophobicContact CG-CB 3.67Å; A249-A535 WeakPolarHBondContact CA-O 3.44Å; A249-A535 PolarHBondContact N-O 2.93Å; H533-A535 PolarHBondContact O-N 3.32Å | |||
| 536 | E | 27 | Very low | 26.9 | Very low | 122 Ų | 122 | 112.8 Ų | 112.8 | 57% | 0.57 | 60% | 0.602 | S | S | * | * | 98.4 | 156.1 | 104.8 | -96.4 | 158.9 | -137.4 | 0 | 0 | 110.2 | A249 S250 | A249-E536 HydrophobicContact CB-CB 4.1Å; S250-E536 VanDerWaalsContact CB-C 3.49Å; S250-E536 WeakPolarHBondContact CB-O 3.18Å | |||
| 537 | N | 28.8 | Very low | 26.9 | Very low | 64 Ų | 64 | 113.7 Ų | 113.7 | 34% | 0.342 | 61% | 0.614 | S | S | . | * | cis | -146.4 | 171.8 | 24.9 | -130.7 | -46.9 | 0 | 0 | 0 | 111.4 | Q251 | Q251-N537 HydrophobicContact CG-CB 3.87Š| ||
| 538 | N | 29 | Very low | 27.1 | Very low | 91 Ų | 91 | 110 Ų | 110 | 49% | 0.487 | 61% | 0.611 | S | S | . | * | trans | 62.2 | 119.9 | 144.8 | -72.6 | -24.3 | 0 | 0 | 0 | 117.6 | Q251 | Q251-N538 PolarHBondContact OE1-ND2 3.49Š| ||
| 539 | M | 29.4 | Very low | 27.6 | Very low | 157 Ų | 157 | 107.4 Ų | 107.4 | 77% | 0.773 | 61% | 0.607 | S | S | * | * | cis | -168.5 | 167.7 | 20.4 | -73 | -143.9 | 171 | 0 | 0 | 108.3 | ||||
| 540 | V | 27.3 | Very low | 27.6 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 68% | 0.679 | 60% | 0.603 | S | S | * | * | cis | -155 | 131.3 | -9 | 120.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 541 | S | 25 | Very low | 27.8 | Very low | 86 Ų | 86 | 111 Ų | 111 | 60% | 0.601 | 62% | 0.615 | S | S | * | * | trans | 38.8 | 143.9 | 137.5 | -36.1 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 542 | N | 25.2 | Very low | 27.8 | Very low | 140 Ų | 140 | 110.1 Ų | 110.1 | 75% | 0.749 | 61% | 0.614 | S | S | * | * | trans | 71.5 | 134.1 | 147.9 | -56.1 | -16.5 | 0 | 0 | 0 | 117.2 | ||||
| 543 | S | 24.1 | Very low | 27.8 | Very low | 95 Ų | 95 | 113.2 Ų | 113.2 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | cis | 81.2 | 122.7 | 37.8 | -59.3 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 544 | L | 23.6 | Very low | 27.5 | Very low | 141 Ų | 141 | 110.9 Ų | 110.9 | 74% | 0.738 | 62% | 0.621 | S | S | * | * | trans | 75 | 114.4 | 162.9 | -97 | 65.8 | 0 | 0 | 0 | 119.9 | ||||
| 545 | H | 25.5 | Very low | 27.3 | Very low | 153 Ų | 153 | 112 Ų | 112 | 71% | 0.708 | 62% | 0.623 | S | S | * | * | trans | 70.9 | 124.9 | 139.3 | -74.2 | -44.3 | 0 | 0 | 0 | 122.4 | ||||
| 546 | Q | 23.4 | Very low | 27.4 | Very low | 168 Ų | 168 | 119.8 Ų | 119.8 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | trans | 81.8 | 99.6 | 140.7 | -66.1 | 175.6 | 21.8 | 0 | 0 | 121.4 | ||||
| 547 | S | 25.2 | Very low | 27.4 | Very low | 121 Ų | 121 | 117.3 Ų | 117.3 | 85% | 0.846 | 65% | 0.646 | S | S | * | * | trans | 58.8 | 129.1 | 131.9 | 63.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 548 | G | 30.7 | Very low | 27.4 | Very low | 55 Ų | 55 | 121.6 Ų | 121.6 | 57% | 0.567 | 66% | 0.663 | S | S | * | * | trans | 163.5 | 132.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | Q1204 | G548-Q1204 PolarHBondContact O-NE2 3.32Š| ||
| 549 | P | 39.8 | Very low | 27.3 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 55% | 0.552 | 67% | 0.674 | S | S | * | * | trans | -109.4 | 176.9 | -172.3 | 41.8 | -36.5 | 0 | 0 | 0 | 116.5 | ||||
| 550 | D | 27 | Very low | 27.1 | Very low | 101 Ų | 101 | 120.8 Ų | 120.8 | 54% | 0.54 | 67% | 0.674 | S | S | . | * | trans | 99.6 | 133.6 | 140.1 | -85.2 | -48.1 | 0 | 0 | 0 | 123.7 | ||||
| 551 | H | 29.7 | Very low | 27 | Very low | 161 Ų | 161 | 121.9 Ų | 121.9 | 75% | 0.745 | 68% | 0.676 | S | S | * | * | trans | 68.8 | 152.4 | 141.3 | -82.2 | 42 | 0 | 0 | 0 | 122.3 | ||||
| 552 | V | 27.3 | Very low | 27.1 | Very low | 96 Ų | 96 | 123 Ų | 123 | 58% | 0.582 | 68% | 0.679 | S | S | * | * | cis | -171.6 | 161.6 | -28.1 | 77.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 553 | Q | 28 | Very low | 27.2 | Very low | 161 Ų | 161 | 122.8 Ų | 122.8 | 75% | 0.752 | 68% | 0.678 | S | S | * | * | trans | 66.5 | 159.1 | 160.3 | -83.1 | 159.8 | 5.7 | 0 | 0 | 119.2 | ||||
| 554 | S | 26.1 | Very low | 27.3 | Very low | 85 Ų | 85 | 122.9 Ų | 122.9 | 59% | 0.594 | 68% | 0.679 | S | S | * | * | cis | -157.4 | 137 | -7 | 44.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 555 | Q | 26.3 | Very low | 27.4 | Very low | 138 Ų | 138 | 121.9 Ų | 121.9 | 65% | 0.645 | 68% | 0.679 | S | S | * | * | 61.5 | 152.3 | 103.4 | -49.5 | 170.2 | -33.2 | 0 | 0 | 116.3 | |||||
| 556 | Y | 27 | Very low | 27.5 | Very low | 184 Ų | 184 | 123.9 Ų | 123.9 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | cis | -148.3 | 150.2 | 10.2 | -101.8 | -56 | 0 | 0 | 0 | 112.3 | ||||
| 557 | S | 26.8 | Very low | 27.5 | Very low | 70 Ų | 70 | 121.1 Ų | 121.1 | 49% | 0.49 | 69% | 0.685 | S | S | . | * | trans | -9.7 | 161.2 | 139 | 57.3 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 558 | H | 29.3 | Very low | 27.6 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 71% | 0.713 | 68% | 0.68 | S | S | * | * | -167.7 | 126.8 | 55.1 | -101.3 | -62.4 | 0 | 0 | 0 | 111.2 | |||||
| 559 | T | 26.7 | Very low | 27.3 | Very low | 115 Ų | 115 | 124.7 Ų | 124.7 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | 76.1 | 154.8 | 90.8 | 62 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 560 | C | 24.6 | Very low | 26.5 | Very low | 116 Ų | 116 | 127.7 Ų | 127.7 | 78% | 0.784 | 69% | 0.694 | S | S | * | * | trans | 87.1 | 126.4 | 174.5 | -58.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 561 | N | 26.2 | Very low | 26.4 | Very low | 135 Ų | 135 | 128.1 Ų | 128.1 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | cis | 79.5 | 132.3 | 38.5 | -152.7 | 24 | 0 | 0 | 0 | 110.3 | ||||
| 562 | V | 27.8 | Very low | 26.1 | Very low | 109 Ų | 109 | 123.2 Ų | 123.2 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | cis | -155.3 | 157.1 | 49.7 | 173 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 563 | N | 25.7 | Very low | 26.6 | Very low | 135 Ų | 135 | 130.1 Ų | 130.1 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -12.4 | 161.4 | 154.4 | -39.8 | -24.1 | 0 | 0 | 0 | 118.3 | ||||
| 564 | S | 26.3 | Very low | 26.5 | Very low | 98 Ų | 98 | 127.1 Ų | 127.1 | 69% | 0.685 | 70% | 0.695 | S | S | * | * | 176 | 178.7 | 50.7 | -156.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 565 | T | 26.6 | Very low | 26.4 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 74% | 0.736 | 70% | 0.704 | S | S | * | * | trans | 59.7 | 126.3 | 160.6 | 44.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 566 | K | 26.9 | Very low | 26.4 | Very low | 194 Ų | 194 | 126 Ų | 126 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | 81.2 | 134.4 | 54.7 | -83.2 | -165.2 | 172.4 | -174.2 | 0 | 115.1 | |||||
| 567 | S | 24 | Very low | 26.4 | Very low | 110 Ų | 110 | 120.6 Ų | 120.6 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | trans | 66.7 | 164.2 | 173.4 | -61.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 568 | L | 25.7 | Very low | 26.3 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 76% | 0.759 | 73% | 0.726 | S | S | * | * | cis | -144 | 133.1 | -0.6 | -136.7 | 118 | 0 | 0 | 0 | 104 | ||||
| 569 | V | 24.7 | Very low | 26 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 65% | 0.648 | 72% | 0.721 | S | S | * | * | 72.3 | 135.7 | 71.8 | 169 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 570 | I | 24.4 | Very low | 25.8 | Very low | 148 Ų | 148 | 122 Ų | 122 | 76% | 0.759 | 72% | 0.724 | S | S | * | * | trans | 72.1 | 142 | 162.9 | -77.6 | 167.6 | 0 | 0 | 0 | 116.4 | ||||
| 571 | T | 23.2 | Very low | 25.8 | Very low | 109 Ų | 109 | 120.6 Ų | 120.6 | 67% | 0.669 | 72% | 0.715 | S | S | * | * | cis | -158.8 | -170.4 | -15.3 | 31.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 572 | S | 24.5 | Very low | 25.7 | Very low | 59 Ų | 59 | 123.8 Ų | 123.8 | 41% | 0.413 | 72% | 0.717 | S | S | . | * | trans | 100.8 | 74.4 | 140 | -52.1 | 0 | 0 | 0 | 0 | 118.7 | D1606 | S572-D1606 PolarHBondContact OG-OD1 3.3Š| ||
| 573 | R | 36.9 | Very low | 25.6 | Very low | 241 Ų | 241 | 122.7 Ų | 122.7 | 91% | 0.909 | 71% | 0.711 | S | S | * | * | -50.1 | 154 | 120.9 | -79.6 | -179.4 | 170.1 | -174 | -3.5 | 108.2 | |||||
| 574 | P | 27.7 | Very low | 25.5 | Very low | 98 Ų | 98 | 121.7 Ų | 121.7 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | cis | -154.7 | -156.7 | 47.2 | 29.2 | -0.3 | 0 | 0 | 0 | 114.7 | ||||
| 575 | V | 24.1 | Very low | 25.5 | Very low | 130 Ų | 130 | 122.7 Ų | 122.7 | 79% | 0.788 | 71% | 0.711 | S | S | * | * | trans | 65.8 | 108.4 | 158.8 | -166 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 576 | G | 26 | Very low | 25.4 | Very low | 68 Ų | 68 | 126.9 Ų | 126.9 | 70% | 0.701 | 71% | 0.714 | S | S | * | * | cis | 92 | 111.6 | 3.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 577 | G | 26.9 | Very low | 25.3 | Very low | 71 Ų | 71 | 124 Ų | 124 | 73% | 0.732 | 71% | 0.707 | S | S | * | * | trans | 78.8 | 161.9 | -159.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 578 | L | 23.8 | Very low | 25.5 | Very low | 169 Ų | 169 | 121.7 Ų | 121.7 | 89% | 0.885 | 70% | 0.7 | S | S | * | * | cis | -140.8 | 155 | 10.9 | -74.8 | 169.6 | 0 | 0 | 0 | 108.1 | ||||
| 579 | S | 22.9 | Very low | 25.5 | Very low | 89 Ų | 89 | 121.5 Ų | 121.5 | 62% | 0.622 | 70% | 0.699 | S | S | * | * | cis | -173.5 | -164.4 | -8.8 | 51.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 580 | C | 24 | Very low | 25.5 | Very low | 111 Ų | 111 | 120.5 Ų | 120.5 | 75% | 0.75 | 70% | 0.702 | S | S | * | * | trans | 21.7 | 135.5 | 134.3 | -68.3 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 581 | S | 24.1 | Very low | 25.4 | Very low | 86 Ų | 86 | 120.5 Ų | 120.5 | 60% | 0.601 | 70% | 0.697 | S | S | * | * | cis | -175.3 | 165.6 | 16.9 | -124.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 582 | R | 24.5 | Very low | 25.5 | Very low | 202 Ų | 202 | 123.5 Ų | 123.5 | 76% | 0.762 | 70% | 0.703 | S | S | * | * | trans | 66.4 | 165.5 | 154.8 | -66.3 | 162.5 | -179.2 | 167.8 | -1.3 | 114.2 | ||||
| 583 | T | 24.4 | Very low | 25.5 | Very low | 87 Ų | 87 | 126.7 Ų | 126.7 | 53% | 0.534 | 72% | 0.715 | S | S | . | * | cis | -141.5 | 112.1 | 6.7 | -12.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 584 | T | 23.9 | Very low | 24.8 | Very low | 113 Ų | 113 | 122.3 Ų | 122.3 | 69% | 0.693 | 71% | 0.71 | S | S | * | * | 70.7 | 154.1 | 107.4 | 61 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 585 | T | 26.2 | Very low | 24.7 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 73% | 0.73 | 72% | 0.724 | S | S | * | * | trans | 84.4 | 99.2 | 159.6 | -48.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 586 | R | 24.7 | Very low | 24.6 | Very low | 209 Ų | 209 | 125.4 Ų | 125.4 | 79% | 0.789 | 72% | 0.72 | S | S | * | * | 87.6 | 132 | 50.7 | -74.7 | 178.2 | 98.5 | -162.2 | 9 | 113.8 | |||||
| 587 | L | 25.4 | Very low | 24.6 | Very low | 133 Ų | 133 | 127 Ų | 127 | 70% | 0.696 | 72% | 0.716 | S | S | * | * | trans | 70.7 | 151.9 | 150.3 | -62.5 | 157.9 | 0 | 0 | 0 | 117 | I589 | L587-I589 HydrophobicContact CD2-CD1 3.61Å; L587-I589 HydrophobicContact CD2-CG1 4.34Å | ||
| 588 | G | 26.9 | Very low | 24.9 | Very low | 61 Ų | 61 | 128.7 Ų | 128.7 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | cis | -150.7 | 156.4 | -1.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 589 | I | 26.3 | Very low | 24.9 | Very low | 142 Ų | 142 | 125.7 Ų | 125.7 | 73% | 0.728 | 70% | 0.703 | S | S | * | * | 68.7 | 116.4 | 92.4 | -59.2 | 166.3 | 0 | 0 | 0 | 110.8 | L587 F591 | L587-I589 HydrophobicContact CD2-CD1 3.61Å; L587-I589 HydrophobicContact CD2-CG1 4.34Å; I589-F591 HydrophobicContact CG2-CD2 4.5Å | |||
| 590 | A | 24.1 | Very low | 25.3 | Very low | 86 Ų | 86 | 128.1 Ų | 128.1 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | -151 | 149.2 | 64.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 591 | F | 23 | Very low | 25.4 | Very low | 148 Ų | 148 | 127.4 Ų | 127.4 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | 45.7 | 124.4 | 83.3 | -71.3 | -87.2 | 0 | 0 | 0 | 113.4 | I589 | I589-F591 HydrophobicContact CG2-CD2 4.5Š| |||
| 592 | Q | 25.3 | Very low | 25.5 | Very low | 172 Ų | 172 | 130 Ų | 130 | 80% | 0.804 | 70% | 0.702 | S | S | * | * | -160.7 | 144.7 | 59.1 | -93 | 165.5 | -14.3 | 0 | 0 | 115.7 | |||||
| 593 | N | 23.9 | Very low | 25.9 | Very low | 125 Ų | 125 | 127.9 Ų | 127.9 | 67% | 0.668 | 70% | 0.701 | S | S | * | * | trans | 38 | 130.8 | 135.4 | -54.3 | -2.8 | 0 | 0 | 0 | 124.4 | ||||
| 594 | N | 23.7 | Very low | 25.9 | Very low | 149 Ų | 149 | 131.5 Ų | 131.5 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | trans | 54 | 108.3 | 137.2 | -58.6 | -3.5 | 0 | 0 | 0 | 121.5 | ||||
| 595 | L | 24.2 | Very low | 26.3 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 93% | 0.932 | 71% | 0.714 | S | S | * | * | -170.8 | -178 | 122.7 | -104.5 | 162 | 0 | 0 | 0 | 111.7 | |||||
| 596 | T | 23.1 | Very low | 26.2 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 71% | 0.706 | 71% | 0.71 | S | S | * | * | trans | -130.8 | 158.3 | -153.1 | -24.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 597 | V | 25.9 | Very low | 26.2 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 62% | 0.624 | 70% | 0.704 | S | S | * | * | trans | 71.4 | 167 | 165.6 | -119 | 0 | 0 | 0 | 0 | 116 | ||||
| 598 | P | 31.9 | Very low | 26.2 | Very low | 105 Ų | 105 | 131.6 Ų | 131.6 | 68% | 0.682 | 71% | 0.707 | S | S | * | * | -135.4 | -156 | -98.3 | 47.6 | -30.8 | 0 | 0 | 0 | 115.4 | |||||
| 599 | T | 25.2 | Very low | 26.1 | Very low | 107 Ų | 107 | 134.5 Ų | 134.5 | 66% | 0.656 | 71% | 0.712 | S | S | * | * | trans | 84 | 106.9 | 158.5 | -65.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 600 | I | 30 | Very low | 26.1 | Very low | 139 Ų | 139 | 132.6 Ų | 132.6 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | 73.9 | 138.1 | 78.8 | -53.7 | 156.9 | 0 | 0 | 0 | 112.2 | |||||
| 601 | V | 27.6 | Very low | 26.2 | Very low | 97 Ų | 97 | 131.6 Ų | 131.6 | 59% | 0.588 | 69% | 0.691 | S | S | * | * | trans | 62.7 | 158.3 | 167.2 | -77.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 602 | E | 26.1 | Very low | 26.4 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 66% | 0.659 | 69% | 0.693 | S | S | * | * | cis | -97.2 | 178.9 | -11.3 | -111.6 | 89.4 | -134.8 | 0 | 0 | 108.5 | ||||
| 603 | E | 32.5 | Very low | 26.5 | Very low | 156 Ų | 156 | 129.5 Ų | 129.5 | 73% | 0.729 | 68% | 0.678 | S | S | * | * | 50 | 144.9 | 56.7 | -37.6 | -174.7 | 165.9 | 0 | 0 | 110 | |||||
| 604 | E | 24.8 | Very low | 26.5 | Very low | 164 Ų | 164 | 132.7 Ų | 132.7 | 77% | 0.766 | 68% | 0.681 | S | S | * | * | cis | -106 | 160.7 | 33.4 | -77.1 | 131.5 | -176 | 0 | 0 | 113 | ||||
| 605 | E | 30.9 | Very low | 26.8 | Very low | 156 Ų | 156 | 132.9 Ų | 132.9 | 73% | 0.729 | 68% | 0.681 | S | S | * | * | 54.6 | 148.3 | 69.4 | -41.3 | -154.5 | 136.7 | 0 | 0 | 112.2 | |||||
| 606 | E | 24.5 | Very low | 27 | Very low | 138 Ų | 138 | 130.1 Ų | 130.1 | 65% | 0.645 | 67% | 0.674 | S | S | * | * | -155.5 | 148.3 | 51 | -81.4 | -166 | 124 | 0 | 0 | 115.1 | |||||
| 607 | Y | 25.8 | Very low | 27.2 | Very low | 174 Ų | 174 | 131.6 Ų | 131.6 | 68% | 0.682 | 68% | 0.677 | S | S | * | * | trans | 58.3 | 126.4 | 131.1 | -67.7 | -145.3 | 0 | 0 | 0 | 119.8 | ||||
| 608 | S | 23.8 | Very low | 27.2 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | -166.3 | 116.3 | 98 | -87 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 609 | V | 25.7 | Very low | 27 | Very low | 122 Ų | 122 | 135 Ų | 135 | 74% | 0.739 | 69% | 0.692 | S | S | * | * | 63.3 | 135.4 | 117 | 166.4 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 610 | D | 26 | Very low | 27.2 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 55% | 0.551 | 70% | 0.701 | S | S | * | * | cis | -175.1 | 168 | -19.2 | -134.4 | 38.6 | 0 | 0 | 0 | 103.5 | R613 | D610-R613 IonicContact OD1-CZ 2.87Å; D610-R613 IonicContact OD1-NH2 3.9Å; D610-R613 PolarHBondContact OD1-NH2 2.99Å; D610-R613 VanDerWaalsContact OD1-NH2 3.15Å; D610-R613 IonicContact OD2-CZ 3.75Å; D610-R613 IonicContact OD2-NH1 2.87Å; D610-R613 PolarHBondContact OD2-NH1 2.95Å; D610-R613 IonicContact OD2-NH2 3.42Å; D610-R613 PolarHBondContact OD2-NH2 2.82Å | ||
| 611 | S | 26.5 | Very low | 26.9 | Very low | 64 Ų | 64 | 139.7 Ų | 139.7 | 45% | 0.448 | 71% | 0.708 | S | S | . | * | cis | -159.9 | -164.5 | -0.3 | -137.4 | 0 | 0 | 0 | 0 | 105.9 | R613 | S611-R613 VanDerWaalsContact OG-CZ 3.24Å; S611-R613 PolarHBondContact OG-NH1 2.98Å | ||
| 612 | E | 27.3 | Very low | 26.8 | Very low | 145 Ų | 145 | 143.3 Ų | 143.3 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | cis | -150.9 | 129.4 | 6.1 | -138.8 | 121.2 | -156.1 | 0 | 0 | 106.8 | ||||
| 613 | R | 27.5 | Very low | 26.9 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 49% | 0.494 | 72% | 0.722 | S | S | . | * | 58.7 | 152.9 | 82 | -54.6 | -178.7 | -175.2 | 128.5 | 7.4 | 114.3 | D610 S611 | D610-R613 IonicContact OD1-CZ 2.87Å; D610-R613 IonicContact OD1-NH2 3.9Å; D610-R613 PolarHBondContact OD1-NH2 2.99Å; D610-R613 VanDerWaalsContact OD1-NH2 3.15Å; D610-R613 IonicContact OD2-CZ 3.75Å; D610-R613 IonicContact OD2-NH1 2.87Å; D610-R613 PolarHBondContact OD2-NH1 2.95Å; D610-R613 IonicContact OD2-NH2 3.42Å; D610-R613 PolarHBondContact OD2-NH2 2.82Å; S611-R613 VanDerWaalsContact OG-CZ 3.24Å; S611-R613 PolarHBondContact OG-NH1 2.98Å | |||
| 614 | R | 24.2 | Very low | 26.5 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 73% | 0.728 | 73% | 0.726 | S | S | * | * | cis | -164 | 157.1 | 3.9 | -127.7 | 165.9 | -166.2 | 149 | 1.9 | 109.8 | ||||
| 615 | L | 29.7 | Very low | 26.6 | Very low | 153 Ų | 153 | 142.6 Ų | 142.6 | 80% | 0.801 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 140.8 | 146.5 | -88.8 | 161.3 | 0 | 0 | 0 | 109.7 | ||
| 616 | P | 27.7 | Very low | 26.4 | Very low | 120 Ų | 120 | 142.9 Ų | 142.9 | 78% | 0.779 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 132 | 168.8 | -13 | 29.7 | 0 | 0 | 0 | 112 | ||
| 617 | N | 27.1 | Very low | 26.5 | Very low | 146 Ų | 146 | 143 Ų | 143 | 78% | 0.781 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 159.3 | 175.7 | -59.4 | -22.2 | 0 | 0 | 0 | 112.5 | ||
| 618 | L | 26.9 | Very low | 26.7 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 86% | 0.864 | 71% | 0.711 | S | S | * | * | trans | 169.4 | 150.3 | 140.3 | -93.1 | 156.6 | 0 | 0 | 0 | 109.9 | ||||
| 619 | P | 27.2 | Very low | 26.8 | Very low | 115 Ų | 115 | 138.7 Ų | 138.7 | 75% | 0.747 | 70% | 0.703 | S | S | * | * | -125.7 | 171.4 | -61.9 | 33.1 | -16.5 | 0 | 0 | 0 | 113.1 | |||||
| 620 | E | 29 | Very low | 26.8 | Very low | 182 Ų | 182 | 138.5 Ų | 138.5 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | trans | -71.3 | 138.8 | 173.2 | -57.1 | 171.6 | 131.4 | 0 | 0 | 112.5 | ||||
| 621 | N | 24.8 | Very low | 26.8 | Very low | 162 Ų | 162 | 140.7 Ų | 140.7 | 87% | 0.866 | 71% | 0.706 | S | S | * | * | trans | -176 | 167.8 | 140.1 | -104.5 | -63.1 | 0 | 0 | 0 | 112.5 | ||||
| 622 | E | 26 | Very low | 26.7 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | trans | 73.2 | 72.7 | 164.1 | -48.7 | -141.2 | 142.7 | 0 | 0 | 120.1 | ||||
| 623 | T | 26.2 | Very low | 26.6 | Very low | 121 Ų | 121 | 143 Ų | 143 | 74% | 0.742 | 71% | 0.712 | S | S | * | * | trans | 71.5 | 125.6 | 130.1 | 57.5 | 0 | 0 | 0 | 0 | 122.4 | H625 | T623-H625 PolarHBondContact O-N 3.44Š| ||
| 624 | E | 24.6 | Very low | 26.6 | Very low | 173 Ų | 173 | 148 Ų | 148 | 81% | 0.808 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -63.3 | 25.3 | 179.3 | -158.3 | 177 | -173.7 | 0 | 0 | 116.7 | ||
| 625 | H | 27.8 | Very low | 26.8 | Very low | 152 Ų | 152 | 143 Ų | 143 | 70% | 0.704 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -132.6 | 14.4 | -162.6 | -90.8 | 35.3 | 0 | 0 | 0 | 117.1 | T623 | T623-H625 PolarHBondContact O-N 3.44Š|
| 626 | Q | 26.6 | Very low | 26.6 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 76% | 0.762 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -126.1 | -17.7 | 176.2 | -71.8 | -170.3 | 6.4 | 0 | 0 | 117 | ||
| 627 | F | 26.2 | Very low | 26.5 | Very low | 140 Ų | 140 | 142.8 Ų | 142.8 | 61% | 0.614 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -80.5 | -24.9 | 175.6 | -128.2 | -95.4 | 0 | 0 | 0 | 113.6 | D629 M630 L631 | F627-D629 PolarHBondContact O-N 2.86Å; F627-M630 HydrophobicContact CD2-CE 4.15Å; F627-M630 HydrophobicContact CE1-SD 4.48Å; F627-M630 HydrophobicContact CE2-CE 3.72Å; F627-M630 HydrophobicContact CE2-SD 4.11Å; F627-M630 HydrophobicContact CZ-CE 4.18Å; F627-M630 HydrophobicContact CZ-SD 3.93Å; F627-M630 PolarHBondContact O-N 3.33Å; F627-M630 VanDerWaalsContact O-N 3.11Å; F627-L631 PolarHBondContact O-N 2.92Å |
| 628 | I | 29.6 | Very low | 26.6 | Very low | 83 Ų | 83 | 141.7 Ų | 141.7 | 43% | 0.426 | 72% | 0.718 | S | S | . | * | H | α-helix | trans | -65.5 | -24.6 | 175.6 | -70.2 | 176.3 | 0 | 0 | 0 | 112.1 | R632 | I628-R632 WeakPolarHBondContact O-CB 3.47Å |
| 629 | D | 25.8 | Very low | 26.4 | Very low | 108 Ų | 108 | 141.2 Ų | 141.2 | 58% | 0.578 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -87.5 | -17.7 | 172.9 | -84.5 | -29.6 | 0 | 0 | 0 | 113.5 | F627 S633 | F627-D629 PolarHBondContact O-N 2.86Å; D629-S633 VanDerWaalsContact O-CB 3.24Å; D629-S633 WeakPolarHBondContact O-CB 3.08Å; D629-S633 PolarHBondContact O-N 3.24Å; D629-S633 PolarHBondContact O-OG 3.18Å |
| 630 | M | 26.2 | Very low | 26.3 | Very low | 118 Ų | 118 | 141.4 Ų | 141.4 | 58% | 0.581 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -78 | -40.3 | -179.8 | -159.8 | -178 | -57.3 | 0 | 0 | 112.5 | F627 | F627-M630 HydrophobicContact CD2-CE 4.15Å; F627-M630 HydrophobicContact CE1-SD 4.48Å; F627-M630 HydrophobicContact CE2-CE 3.72Å; F627-M630 HydrophobicContact CE2-SD 4.11Å; F627-M630 HydrophobicContact CZ-CE 4.18Å; F627-M630 HydrophobicContact CZ-SD 3.93Å; F627-M630 PolarHBondContact O-N 3.33Å; F627-M630 VanDerWaalsContact O-N 3.11Å |
| 631 | L | 26.8 | Very low | 26.1 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 78% | 0.78 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -89.5 | 0.1 | 176.3 | -68.9 | 175.1 | 0 | 0 | 0 | 113.9 | F627 | F627-L631 PolarHBondContact O-N 2.92Š|
| 632 | R | 24.5 | Very low | 26.1 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 65% | 0.645 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -114.7 | 3.4 | 179.7 | -158.2 | 170.6 | -73.5 | 167.9 | 0.8 | 114.1 | I628 | I628-R632 WeakPolarHBondContact O-CB 3.47Š|
| 633 | S | 24.7 | Very low | 26 | Very low | 85 Ų | 85 | 139.1 Ų | 139.1 | 59% | 0.594 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -129.6 | 12.5 | -174.5 | 71.8 | 0 | 0 | 0 | 0 | 117.5 | D629 | D629-S633 VanDerWaalsContact O-CB 3.24Å; D629-S633 WeakPolarHBondContact O-CB 3.08Å; D629-S633 PolarHBondContact O-N 3.24Å; D629-S633 PolarHBondContact O-OG 3.18Å |
| 634 | R | 27.6 | Very low | 26 | Very low | 237 Ų | 237 | 139.3 Ų | 139.3 | 89% | 0.894 | 70% | 0.699 | S | S | * | * | trans | -131.2 | 44.7 | 167.6 | -142.1 | 168.6 | -170.9 | 163.8 | 1.6 | 116 | ||||
| 635 | T | 28.6 | Very low | 25.9 | Very low | 87 Ų | 87 | 137.5 Ų | 137.5 | 53% | 0.534 | 70% | 0.695 | S | S | . | * | trans | -57.3 | 170.6 | 146.8 | 46.8 | 0 | 0 | 0 | 0 | 111.7 | L638 | T635-L638 HydrophobicContact CG2-CD1 4.04Š| ||
| 636 | N | 24.1 | Very low | 25.8 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | trans | 81.4 | 119.1 | -173.2 | -44.8 | -47.6 | 0 | 0 | 0 | 112.7 | ||||
| 637 | S | 26.2 | Very low | 25.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 90% | 0.895 | 68% | 0.682 | S | S | * | * | cis | -93.5 | 96.1 | 10.3 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 638 | L | 29.1 | Very low | 25.7 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 64% | 0.639 | 68% | 0.678 | S | S | * | * | trans | -78.5 | 136.9 | 144.1 | -73.1 | 144.8 | 0 | 0 | 0 | 107.1 | T635 | T635-L638 HydrophobicContact CG2-CD1 4.04Š| ||
| 639 | L | 22.9 | Very low | 25.4 | Very low | 155 Ų | 155 | 133.8 Ų | 133.8 | 81% | 0.812 | 69% | 0.693 | S | S | * | * | trans | 177.8 | 137.5 | 150.6 | -101.8 | 156.5 | 0 | 0 | 0 | 111.4 | ||||
| 640 | N | 24.2 | Very low | 25.2 | Very low | 120 Ų | 120 | 135 Ų | 135 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | trans | 64.5 | 127.4 | 163.7 | -57.7 | -11.1 | 0 | 0 | 0 | 117.6 | ||||
| 641 | N | 26.1 | Very low | 25.2 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | cis | -146.5 | 144.6 | -1.1 | -100.4 | -27.1 | 0 | 0 | 0 | 112.2 | ||||
| 642 | N | 24 | Very low | 25.1 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 82% | 0.818 | 70% | 0.704 | S | S | * | * | trans | -73.4 | 138.4 | 168 | -35.9 | -85.4 | 0 | 0 | 0 | 109.7 | ||||
| 643 | H | 24.8 | Very low | 25.3 | Very low | 176 Ų | 176 | 136 Ų | 136 | 82% | 0.815 | 71% | 0.71 | S | S | * | * | -153.1 | 147 | 110.2 | -140 | -86.8 | 0 | 0 | 0 | 112 | |||||
| 644 | I | 26.6 | Very low | 25.5 | Very low | 125 Ų | 125 | 140.5 Ų | 140.5 | 64% | 0.641 | 72% | 0.715 | S | S | * | * | trans | -88.1 | 135.1 | 168.4 | -65.8 | 160.8 | 0 | 0 | 0 | 107.5 | I646 | I644-I646 HydrophobicContact CG2-CD1 3.79Å; I644-I646 HydrophobicContact CG2-CG1 3.9Å | ||
| 645 | D | 22.4 | Very low | 25.5 | Very low | 136 Ų | 136 | 134.7 Ų | 134.7 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -175.5 | 105.5 | 138.1 | -88.9 | -29.1 | 0 | 0 | 0 | 106.1 | ||||
| 646 | I | 26 | Very low | 25.3 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 55% | 0.549 | 71% | 0.714 | S | S | . | * | 51.8 | 97.3 | 78.4 | -54 | 171.5 | 0 | 0 | 0 | 110.4 | I644 | I644-I646 HydrophobicContact CG2-CD1 3.79Å; I644-I646 HydrophobicContact CG2-CG1 3.9Å | |||
| 647 | N | 22.9 | Very low | 25.4 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -145.4 | 151.6 | 138.6 | -98.4 | -50.5 | 0 | 0 | 0 | 111 | L707 | N647-L707 WeakPolarHBondContact OD1-CD2 3.18Š| ||
| 648 | E | 25.9 | Very low | 25.4 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 54% | 0.542 | 71% | 0.708 | S | S | . | * | trans | -85.6 | -173.1 | -175.2 | -58.6 | 168.9 | 127.9 | 0 | 0 | 111 | ||||
| 649 | T | 23.5 | Very low | 25.2 | Very low | 118 Ų | 118 | 142.1 Ų | 142.1 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | trans | 73.6 | 125.4 | 173.8 | 72.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 650 | N | 22.9 | Very low | 25.4 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | 70.9 | 150 | 95.4 | -58.3 | 17 | 0 | 0 | 0 | 112.4 | |||||
| 651 | E | 25.2 | Very low | 25.4 | Very low | 142 Ų | 142 | 142.6 Ų | 142.6 | 66% | 0.664 | 70% | 0.702 | S | S | * | * | cis | -130 | 162.6 | 9 | -124 | 116.3 | -125.5 | 0 | 0 | 108.6 | ||||
| 652 | E | 26.1 | Very low | 25.4 | Very low | 173 Ų | 173 | 140.6 Ų | 140.6 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | 37.5 | 121.6 | 102.7 | -49.2 | -175 | 173.5 | 0 | 0 | 113.1 | |||||
| 653 | D | 27.5 | Very low | 25.5 | Very low | 146 Ų | 146 | 140.7 Ų | 140.7 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | -158.6 | 169.5 | 80.6 | -140.3 | -26.4 | 0 | 0 | 0 | 115.6 | |||||
| 654 | Y | 29.5 | Very low | 25.5 | Very low | 179 Ų | 179 | 140.3 Ų | 140.3 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | trans | -70.5 | 159.4 | 173.6 | -91.5 | -99.7 | 0 | 0 | 0 | 113.3 | ||||
| 655 | P | 27.2 | Very low | 25.5 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 74% | 0.74 | 70% | 0.698 | S | S | * | * | -107.3 | 116.4 | 113.1 | 28.5 | -33 | 0 | 0 | 0 | 109.9 | |||||
| 656 | L | 25.4 | Very low | 25.7 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 65% | 0.654 | 70% | 0.696 | S | S | * | * | 49 | 79.7 | 60.7 | -60.5 | -179.5 | 0 | 0 | 0 | 110.8 | |||||
| 657 | L | 25.8 | Very low | 25.6 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 70% | 0.702 | 71% | 0.706 | S | S | * | * | trans | 62.1 | 110.5 | 174.9 | -46 | 111.8 | 0 | 0 | 0 | 114 | K659 | L657-K659 VanDerWaalsContact C-N 3.3Å; L657-K659 HydrophobicContact CB-CG 3.86Å; L657-K659 PolarHBondContact O-N 3.32Å; L657-K659 VanDerWaalsContact O-N 3.07Å | ||
| 658 | R | 24.6 | Very low | 25.7 | Very low | 222 Ų | 222 | 144 Ų | 144 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | trans | -66.7 | 103.4 | 140.2 | -123.6 | -164.1 | -179.9 | 159.3 | 3.6 | 105.5 | D660 | R658-D660 WeakPolarHBondContact CD-OD2 3.44Å; R658-D660 VanDerWaalsContact CG-OD2 3.32Å; R658-D660 WeakPolarHBondContact CG-OD2 3.41Å; R658-D660 IonicContact NE-OD2 2.71Å; R658-D660 PolarHBondContact O-N 2.88Å | ||
| 659 | K | 26.6 | Very low | 25.6 | Very low | 154 Ų | 154 | 140.2 Ų | 140.2 | 67% | 0.67 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 0.9 | -172 | -77.8 | -175.7 | 175 | 174.4 | 0 | 113.7 | L657 V662 | L657-K659 VanDerWaalsContact C-N 3.3Å; L657-K659 HydrophobicContact CB-CG 3.86Å; L657-K659 PolarHBondContact O-N 3.32Å; L657-K659 VanDerWaalsContact O-N 3.07Å; K659-V662 WeakPolarHBondContact O-CG2 3.38Å; K659-V662 PolarHBondContact O-N 3.17Å |
| 660 | D | 26.3 | Very low | 25.7 | Very low | 121 Ų | 121 | 138 Ų | 138 | 65% | 0.647 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -15.1 | -170.5 | -31 | -51.7 | 0 | 0 | 0 | 112.1 | R658 V662 | R658-D660 WeakPolarHBondContact CD-OD2 3.44Å; R658-D660 VanDerWaalsContact CG-OD2 3.32Å; R658-D660 WeakPolarHBondContact CG-OD2 3.41Å; R658-D660 IonicContact NE-OD2 2.71Å; R658-D660 PolarHBondContact O-N 2.88Å; D660-V662 PolarHBondContact O-N 2.94Å |
| 661 | Y | 24.9 | Very low | 25.8 | Very low | 165 Ų | 165 | 138.9 Ų | 138.9 | 65% | 0.647 | 68% | 0.678 | S | S | * | * | trans | -77.3 | 59.8 | 150.8 | -95.8 | -79.9 | 0 | 0 | 0 | 109.4 | L663 | Y661-L663 PolarHBondContact O-N 3.17Š| ||
| 662 | V | 25.3 | Very low | 25.8 | Very low | 95 Ų | 95 | 139.1 Ų | 139.1 | 58% | 0.576 | 68% | 0.677 | S | S | * | * | trans | -61.4 | 123.3 | 154.7 | -174 | 0 | 0 | 0 | 0 | 105.5 | K659 D660 E664 | K659-V662 WeakPolarHBondContact O-CG2 3.38Å; K659-V662 PolarHBondContact O-N 3.17Å; D660-V662 PolarHBondContact O-N 2.94Å; V662-E664 HydrophobicContact CB-CG 4.02Å; V662-E664 HydrophobicContact CG1-CG 3.63Å; V662-E664 PolarHBondContact O-N 3.44Å | ||
| 663 | L | 26.3 | Very low | 25.8 | Very low | 156 Ų | 156 | 136 Ų | 136 | 82% | 0.817 | 67% | 0.673 | S | S | * | * | trans | -70.3 | 80.6 | 159.6 | -80.2 | 169.1 | 0 | 0 | 0 | 107.2 | Y661 K665 | Y661-L663 PolarHBondContact O-N 3.17Å; L663-K665 PolarHBondContact O-N 3.2Å | ||
| 664 | E | 25 | Very low | 25.7 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 79% | 0.785 | 67% | 0.672 | S | S | * | * | trans | -67.6 | 75.6 | 162.9 | -69.1 | -163 | 135.7 | 0 | 0 | 108.1 | V662 | V662-E664 HydrophobicContact CB-CG 4.02Å; V662-E664 HydrophobicContact CG1-CG 3.63Å; V662-E664 PolarHBondContact O-N 3.44Å | ||
| 665 | K | 25.3 | Very low | 25.4 | Very low | 169 Ų | 169 | 131.9 Ų | 131.9 | 74% | 0.735 | 68% | 0.676 | S | S | * | * | trans | -54.7 | 127.1 | 137.4 | -69.6 | -177.5 | 171.3 | -171.5 | 0 | 106.4 | L663 Q667 | L663-K665 PolarHBondContact O-N 3.2Å; K665-Q667 HydrophobicContact CB-CG 4.45Å; K665-Q667 PolarHBondContact O-N 2.72Å | ||
| 666 | D | 27.6 | Very low | 25.2 | Very low | 130 Ų | 130 | 133.2 Ų | 133.2 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | trans | -57.9 | 100.6 | 164.6 | -70.1 | -62.7 | 0 | 0 | 0 | 109.1 | T668 | D666-T668 PolarHBondContact O-N 3.33Š| ||
| 667 | Q | 23.3 | Very low | 25.2 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | trans | -87.3 | 42.7 | 178.7 | -75.9 | -173.4 | 73.9 | 0 | 0 | 111.3 | K665 | K665-Q667 HydrophobicContact CB-CG 4.45Å; K665-Q667 PolarHBondContact O-N 2.72Å | ||
| 668 | T | 24.8 | Very low | 25.1 | Very low | 101 Ų | 101 | 133.5 Ų | 133.5 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | trans | -129.9 | 171.8 | 170.8 | 54.4 | 0 | 0 | 0 | 0 | 109.7 | D666 K774 | D666-T668 PolarHBondContact O-N 3.33Å; T668-K774 PolarHBondContact O-NZ 3.31Å | ||
| 669 | S | 23.6 | Very low | 25.1 | Very low | 37 Ų | 37 | 129.4 Ų | 129.4 | 26% | 0.259 | 67% | 0.672 | S | S | . | * | S | Bend | trans | 67.8 | 133.3 | -141.7 | 83 | 0 | 0 | 0 | 0 | 112.2 | E773 K774 | S669-E773 WeakPolarHBondContact CB-OE2 3.27Å; S669-E773 PolarHBondContact OG-OE1 3.4Å; S669-E773 VanDerWaalsContact OG-OE1 3.1Å; S669-E773 PolarHBondContact OG-OE2 3.01Å; S669-K774 WeakPolarHBondContact OG-CD 3.4Å; S669-K774 WeakPolarHBondContact OG-CE 3.37Å; S669-K774 PolarHBondContact OG-NZ 2.89Å |
| 670 | V | 25.7 | Very low | 25 | Very low | 70 Ų | 70 | 127.7 Ų | 127.7 | 42% | 0.424 | 67% | 0.674 | S | S | . | * | trans | 49.1 | 157.4 | -170.6 | -82.7 | 0 | 0 | 0 | 0 | 116.3 | E773 K774 I775 | V670-E773 WeakPolarHBondContact CG1-O 3.42Å; V670-E773 WeakPolarHBondContact CG2-O 3.5Å; V670-K774 HydrophobicContact CG2-CB 3.18Å; V670-I775 HydrophobicContact CB-CB 3.88Å; V670-I775 HydrophobicContact CB-CG1 3.81Å; V670-I775 HydrophobicContact CG2-CB 3.45Å; V670-I775 VanDerWaalsContact CG2-CB 3.45Å; V670-I775 HydrophobicContact CG2-CG1 3.6Å | ||
| 671 | Q | 26.8 | Very low | 24.9 | Very low | 152 Ų | 152 | 129.2 Ų | 129.2 | 71% | 0.71 | 68% | 0.681 | S | S | * | * | cis | -86.5 | 123.5 | -5 | -99.6 | 168.1 | -19 | 0 | 0 | 111.9 | I775 | Q671-I775 HydrophobicContact CB-CD1 4.37Å; Q671-I775 HydrophobicContact CG-CB 4.37Å; Q671-I775 HydrophobicContact CG-CD1 3.91Å; Q671-I775 HydrophobicContact CG-CG1 4.14Å; Q671-I775 HydrophobicContact CG-CG2 3.99Å | ||
| 672 | K | 24.4 | Very low | 24.9 | Very low | 146 Ų | 146 | 126.9 Ų | 126.9 | 64% | 0.635 | 68% | 0.68 | S | S | * | * | trans | -109.8 | 77.4 | 162.6 | -158.8 | -173.4 | -177.1 | -159.5 | 0 | 109.3 | ||||
| 673 | C | 25 | Very low | 24.9 | Very low | 108 Ų | 108 | 125.8 Ų | 125.8 | 73% | 0.73 | 67% | 0.671 | S | S | * | * | trans | -144 | 135.6 | 166.4 | -93.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 674 | S | 25.4 | Very low | 24.9 | Very low | 109 Ų | 109 | 120.5 Ų | 120.5 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | trans | 44 | 82.4 | 160 | 57.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 675 | V | 23.5 | Very low | 24.9 | Very low | 130 Ų | 130 | 118.5 Ų | 118.5 | 79% | 0.788 | 63% | 0.632 | S | S | * | * | 32.2 | 113.3 | 109.3 | -175.3 | 0 | 0 | 0 | 0 | 116 | |||||
| 676 | L | 24.2 | Very low | 24.7 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 74% | 0.738 | 63% | 0.633 | S | S | * | * | -177.9 | 130.5 | 114.3 | -90.9 | 176.8 | 0 | 0 | 0 | 109.5 | |||||
| 677 | H | 24.9 | Very low | 24.6 | Very low | 159 Ų | 159 | 117.1 Ų | 117.1 | 74% | 0.736 | 64% | 0.64 | S | S | * | * | trans | 36 | 136.8 | 147.9 | -67 | 84.5 | 0 | 0 | 0 | 121.3 | ||||
| 678 | V | 23.7 | Very low | 25.3 | Very low | 107 Ų | 107 | 114.7 Ų | 114.7 | 65% | 0.648 | 64% | 0.639 | S | S | * | * | cis | 154.4 | 154.6 | -2.5 | 130.1 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 679 | N | 25.1 | Very low | 25.2 | Very low | 135 Ų | 135 | 115 Ų | 115 | 72% | 0.722 | 65% | 0.645 | S | S | * | * | trans | 64.7 | 87.2 | 169.6 | -67.9 | -9.3 | 0 | 0 | 0 | 118.2 | ||||
| 680 | T | 23.8 | Very low | 25.2 | Very low | 118 Ų | 118 | 117.7 Ų | 117.7 | 72% | 0.724 | 66% | 0.664 | S | S | * | * | 16.5 | 125.5 | 94.6 | -28.2 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 681 | I | 24.2 | Very low | 25.2 | Very low | 154 Ų | 154 | 120.8 Ų | 120.8 | 79% | 0.79 | 68% | 0.678 | S | S | * | * | 177 | 154.1 | 118 | -89.7 | 159.3 | 0 | 0 | 0 | 110.6 | |||||
| 682 | N | 25.5 | Very low | 25.2 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 62% | 0.615 | 68% | 0.678 | S | S | * | * | trans | -71 | -163.7 | -174.3 | -49.3 | -22.1 | 0 | 0 | 0 | 114.5 | ||||
| 683 | N | 25.4 | Very low | 25.3 | Very low | 73 Ų | 73 | 120.9 Ų | 120.9 | 39% | 0.39 | 68% | 0.684 | S | S | . | * | B | Isolated β-bridge | trans | 89.1 | 136 | 158.9 | -70.5 | 24.3 | 0 | 0 | 0 | 115.7 | F476 N478 S479 | F476-N683 PolarHBondContact O-N 2.91Å; N478-N683 CarbonylContact C-O 3.52Å; N478-N683 WeakPolarHBondContact CA-O 3.18Å; N478-N683 PolarHBondContact N-O 3.4Å; S479-N683 PolarHBondContact N-O 3.44Å |
| 684 | D | 26.7 | Very low | 25.3 | Very low | 45 Ų | 45 | 123.8 Ų | 123.8 | 24% | 0.241 | 69% | 0.687 | C | S | . | * | cis | -161.1 | 159.8 | 20.1 | -124.8 | 66.8 | 0 | 0 | 0 | 111.8 | F476 S477 N478 S479 | F476-D684 VanDerWaalsContact CB-CA 3.41Å; F476-D684 HydrophobicContact CD1-CB 4.38Å; F476-D684 WeakPolarHBondContact CD1-OD1 3.37Å; F476-D684 WeakPolarHBondContact CD1-OD2 3.42Å; S477-D684 CarbonylContact C-O 3.3Å; N478-D684 CarbonylContact C-O 3.09Å; N478-D684 VanDerWaalsContact CA-N 3.34Å; N478-D684 WeakPolarHBondContact CA-O 3.34Å; N478-D684 WeakPolarHBondContact CB-O 3.45Å; N478-D684 PolarHBondContact N-O 3.08Å; N478-D684 CarbonylContact O-C 3.26Å; N478-D684 VanDerWaalsContact O-C 3.3Å; N478-D684 WeakPolarHBondContact O-CB 3.3Å; N478-D684 PolarHBondContact O-N 3.41Å; S479-D684 VanDerWaalsContact N-N 3.19Å | ||
| 685 | K | 24 | Very low | 25.3 | Very low | 126 Ų | 126 | 125.2 Ų | 125.2 | 55% | 0.548 | 69% | 0.685 | S | S | . | * | trans | -37.5 | 153.6 | -174.7 | -84.1 | 160.9 | 172.5 | 152.9 | 0 | 122.5 | F476 | F476-K685 HydrophobicContact CD1-CD 4.29Å; F476-K685 HydrophobicContact CD1-CG 3.96Å; F476-K685 HydrophobicContact CD2-CG 4.03Å; F476-K685 HydrophobicContact CE1-CD 3.76Å; F476-K685 HydrophobicContact CE1-CG 3.91Å; F476-K685 HydrophobicContact CE2-CD 4.22Å; F476-K685 HydrophobicContact CE2-CG 3.95Å; F476-K685 HydrophobicContact CG-CG 4.09Å; F476-K685 HydrophobicContact CZ-CD 3.77Å; F476-K685 HydrophobicContact CZ-CG 3.96Å; F476-K685 VanDerWaalsContact CZ-NZ 3.3Å | ||
| 686 | C | 22.1 | Very low | 25.4 | Very low | 112 Ų | 112 | 123.1 Ų | 123.1 | 76% | 0.757 | 68% | 0.676 | S | S | * | * | trans | 81.6 | 131.5 | 133.4 | -75.1 | 0 | 0 | 0 | 0 | 124 | ||||
| 687 | N | 24.1 | Very low | 25.4 | Very low | 158 Ų | 158 | 123.3 Ų | 123.3 | 85% | 0.845 | 68% | 0.678 | S | S | * | * | trans | 78.9 | 142.4 | 142.9 | -96 | 5.9 | 0 | 0 | 0 | 122.4 | ||||
| 688 | P | 38.5 | Very low | 25.6 | Very low | 113 Ų | 113 | 122.5 Ų | 122.5 | 73% | 0.734 | 68% | 0.684 | S | S | * | * | trans | -96 | 173.1 | 178.7 | 40.8 | -36.7 | 0 | 0 | 0 | 112.4 | ||||
| 689 | S | 22.8 | Very low | 25.7 | Very low | 108 Ų | 108 | 123.8 Ų | 123.8 | 76% | 0.755 | 68% | 0.683 | S | S | * | * | trans | -165.4 | 159.8 | 143.3 | 47.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 690 | S | 24.4 | Very low | 25.7 | Very low | 92 Ų | 92 | 124 Ų | 124 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | trans | 72 | 115.1 | 151.9 | 65.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 691 | N | 25.7 | Very low | 25.8 | Very low | 135 Ų | 135 | 126.8 Ų | 126.8 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | 78.9 | 142.3 | 125.7 | -64 | 32.7 | 0 | 0 | 0 | 119.7 | |||||
| 692 | E | 24.9 | Very low | 25.8 | Very low | 153 Ų | 153 | 123.5 Ų | 123.5 | 72% | 0.715 | 68% | 0.679 | S | S | * | * | cis | -166.9 | -168.4 | -14.7 | -119.5 | -179.6 | 142.6 | 0 | 0 | 108.7 | ||||
| 693 | L | 26.6 | Very low | 25.8 | Very low | 147 Ų | 147 | 124.1 Ų | 124.1 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | trans | 72.3 | 87.8 | 162.8 | -49 | -170.6 | 0 | 0 | 0 | 115.7 | ||||
| 694 | H | 25.3 | Very low | 25.9 | Very low | 169 Ų | 169 | 126.3 Ų | 126.3 | 78% | 0.782 | 69% | 0.694 | S | S | * | * | cis | 90.6 | 152.6 | 37.5 | -159.8 | -137.6 | 0 | 0 | 0 | 114 | ||||
| 695 | L | 25 | Very low | 25.8 | Very low | 139 Ų | 139 | 131 Ų | 131 | 73% | 0.728 | 72% | 0.719 | S | S | * | * | trans | 71.1 | 140.5 | 178.7 | -57.6 | 112.2 | 0 | 0 | 0 | 118.6 | ||||
| 696 | S | 26 | Very low | 26.3 | Very low | 86 Ų | 86 | 129.8 Ų | 129.8 | 60% | 0.601 | 72% | 0.724 | S | S | * | * | cis | -170.9 | 139.6 | -22.9 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 697 | N | 25.1 | Very low | 26.4 | Very low | 146 Ų | 146 | 129.4 Ų | 129.4 | 78% | 0.781 | 71% | 0.714 | S | S | * | * | trans | 46.6 | 111 | 139.1 | -50.3 | -7.3 | 0 | 0 | 0 | 121.7 | ||||
| 698 | V | 29.6 | Very low | 26.3 | Very low | 142 Ų | 142 | 128.9 Ų | 128.9 | 86% | 0.861 | 71% | 0.709 | S | S | * | * | -159.6 | 108.7 | 112.4 | 178.8 | 0 | 0 | 0 | 0 | 105.2 | |||||
| 699 | Q | 24 | Very low | 25.7 | Very low | 133 Ų | 133 | 126.7 Ų | 126.7 | 62% | 0.621 | 69% | 0.694 | S | S | * | * | cis | 92.1 | 138 | 41.6 | -164.7 | 65.2 | 15.2 | 0 | 0 | 113.4 | ||||
| 700 | L | 25.8 | Very low | 25.7 | Very low | 141 Ų | 141 | 127.2 Ų | 127.2 | 74% | 0.738 | 69% | 0.689 | S | S | * | * | trans | 82.6 | 91.7 | -177 | -48.7 | 179.6 | 0 | 0 | 0 | 114.3 | ||||
| 701 | H | 26.8 | Very low | 25.7 | Very low | 175 Ų | 175 | 129.8 Ų | 129.8 | 81% | 0.81 | 70% | 0.695 | S | S | * | * | 78.3 | 142.3 | 71.7 | -71.5 | -154.2 | 0 | 0 | 0 | 113.2 | |||||
| 702 | S | 24.5 | Very low | 25.8 | Very low | 86 Ų | 86 | 131.9 Ų | 131.9 | 60% | 0.601 | 70% | 0.7 | S | S | * | * | cis | 172.6 | 141.4 | -21.8 | -108.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 703 | N | 25.1 | Very low | 25.7 | Very low | 127 Ų | 127 | 130.8 Ų | 130.8 | 68% | 0.679 | 71% | 0.709 | S | S | * | * | trans | 65.5 | 154.2 | 144.7 | -64.4 | 59.8 | 0 | 0 | 0 | 118 | ||||
| 704 | D | 26 | Very low | 25.8 | Very low | 119 Ų | 119 | 130.4 Ų | 130.4 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | cis | -163.2 | 164.6 | -3.9 | -109.2 | -9.3 | 0 | 0 | 0 | 113.7 | ||||
| 705 | N | 25.3 | Very low | 25.7 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 77% | 0.765 | 69% | 0.686 | S | S | * | * | trans | 81.8 | 151.6 | 144.3 | -73.8 | -10.5 | 0 | 0 | 0 | 124.2 | ||||
| 706 | P | 34.9 | Very low | 25.7 | Very low | 102 Ų | 102 | 123 Ų | 123 | 66% | 0.662 | 68% | 0.681 | S | S | * | * | trans | -138.3 | -161.4 | -148.1 | 32.8 | -5.9 | 0 | 0 | 0 | 115.2 | ||||
| 707 | L | 23.5 | Very low | 25.8 | Very low | 104 Ų | 104 | 127.1 Ų | 127.1 | 55% | 0.545 | 70% | 0.695 | S | S | . | * | trans | 71.8 | 131.6 | 163.5 | -50.8 | -179.5 | 0 | 0 | 0 | 118.9 | N647 | N647-L707 WeakPolarHBondContact OD1-CD2 3.18Š| ||
| 708 | I | 23.5 | Very low | 26.2 | Very low | 146 Ų | 146 | 125.7 Ų | 125.7 | 75% | 0.749 | 69% | 0.694 | S | S | * | * | 172.4 | 98.6 | 104.5 | -84.7 | 178.8 | 0 | 0 | 0 | 110 | |||||
| 709 | T | 24.1 | Very low | 26.3 | Very low | 68 Ų | 68 | 126 Ų | 126 | 42% | 0.417 | 68% | 0.684 | S | S | . | * | trans | 58.2 | 144.9 | 140.2 | 76.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 710 | N | 23.9 | Very low | 26.5 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 64% | 0.636 | 69% | 0.686 | S | S | * | * | trans | 90.9 | 113.5 | 136 | -75.6 | -36.8 | 0 | 0 | 0 | 122 | ||||
| 711 | N | 25.1 | Very low | 26.7 | Very low | 145 Ų | 145 | 121.5 Ų | 121.5 | 78% | 0.775 | 67% | 0.671 | S | S | * | * | trans | 75 | 68 | 137.2 | -60.8 | -30.5 | 0 | 0 | 0 | 120 | ||||
| 712 | H | 26.1 | Very low | 27 | Very low | 179 Ų | 179 | 116.7 Ų | 116.7 | 83% | 0.829 | 65% | 0.653 | S | S | * | * | trans | -102.3 | 112.9 | 152.3 | -79.4 | -28.5 | 0 | 0 | 0 | 112.1 | ||||
| 713 | S | 23.9 | Very low | 27.5 | Very low | 130 Ų | 130 | 116 Ų | 116 | 91% | 0.909 | 64% | 0.642 | S | S | * | * | trans | -104.7 | 71.9 | 168.8 | -163.2 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 714 | I | 28.2 | Very low | 27.8 | Very low | 139 Ų | 139 | 118.3 Ų | 118.3 | 71% | 0.713 | 64% | 0.641 | S | S | * | * | trans | -134.2 | 165.4 | -168.3 | -62.8 | -177.6 | 0 | 0 | 0 | 111.2 | ||||
| 715 | R | 23.2 | Very low | 28.1 | Very low | 92 Ų | 92 | 122.4 Ų | 122.4 | 35% | 0.347 | 65% | 0.648 | S | S | . | * | trans | -85.3 | 112.7 | -160.1 | -57.6 | 179.4 | 145.6 | 148.8 | -4.1 | 116.5 | S126 F127 | S126-R715 PolarHBondContact O-NH1 2.77Å; F127-R715 HydrophobicContact CD1-CB 3.64Å; F127-R715 HydrophobicContact CD1-CG 3.72Å; F127-R715 HydrophobicContact CD2-CG 4.45Å; F127-R715 VanDerWaalsContact CD2-NE 3.27Å; F127-R715 HydrophobicContact CE1-CB 3.61Å; F127-R715 HydrophobicContact CE1-CG 3.46Å; F127-R715 VanDerWaalsContact CE1-CG 3.46Å; F127-R715 HydrophobicContact CE2-CG 4.23Å; F127-R715 HydrophobicContact CG-CB 4.46Å; F127-R715 HydrophobicContact CG-CG 4.22Å; F127-R715 HydrophobicContact CZ-CB 4.38Å; F127-R715 HydrophobicContact CZ-CG 3.74Å | ||
| 716 | G | 25.2 | Very low | 28.6 | Very low | 60 Ų | 60 | 120.5 Ų | 120.5 | 62% | 0.619 | 64% | 0.637 | S | S | * | * | 85.5 | 143.6 | 124.7 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 717 | L | 28.2 | Very low | 28.4 | Very low | 174 Ų | 174 | 122.4 Ų | 122.4 | 91% | 0.911 | 64% | 0.637 | S | S | * | * | trans | 67.6 | 163.4 | 163.2 | -66.8 | 171 | 0 | 0 | 0 | 117.3 | ||||
| 718 | P | 33.2 | Very low | 28.7 | Very low | 116 Ų | 116 | 124.5 Ų | 124.5 | 75% | 0.753 | 65% | 0.649 | S | S | * | * | cis | -126.2 | -173.7 | -1.7 | 40.3 | -24 | 0 | 0 | 0 | 115.2 | ||||
| 719 | K | 32.1 | Very low | 29.1 | Very low | 148 Ų | 148 | 123.3 Ų | 123.3 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | trans | -66.8 | 150.1 | 171.9 | -54.1 | 174.1 | -179.3 | -177.6 | 0 | 111.9 | ||||
| 720 | P | 27.9 | Very low | 29.3 | Very low | 104 Ų | 104 | 130.7 Ų | 130.7 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | -151.5 | 99.2 | 113.4 | 36.1 | -17.2 | 0 | 0 | 0 | 115.1 | I723 | P720-I723 HydrophobicContact CB-CB 4.46Å; P720-I723 HydrophobicContact CB-CD1 4.06Å | |||
| 721 | D | 30.6 | Very low | 29.4 | Very low | 76 Ų | 76 | 129.7 Ų | 129.7 | 41% | 0.406 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -151.2 | -28.7 | 151.5 | -149.2 | 18.3 | 0 | 0 | 0 | 113.9 | I723 R724 W725 | D721-I723 PolarHBondContact O-N 2.69Å; D721-R724 WeakPolarHBondContact O-CB 3.29Å; D721-R724 PolarHBondContact O-N 3.17Å; D721-R724 WeakPolarHBondContact OD1-CB 3.41Å; D721-R724 IonicContact OD1-CZ 3.28Å; D721-R724 IonicContact OD1-NE 3.35Å; D721-R724 PolarHBondContact OD1-NE 3.41Å; D721-R724 IonicContact OD1-NH2 2.84Å; D721-R724 PolarHBondContact OD1-NH2 3.48Å; D721-R724 IonicContact OD2-CZ 2.66Å; D721-R724 IonicContact OD2-NE 2.81Å; D721-R724 IonicContact OD2-NH2 3.47Å; D721-R724 PolarHBondContact OD2-NH2 3.33Å; D721-W725 PolarHBondContact O-N 2.84Å |
| 722 | V | 32.3 | Very low | 29.5 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 45% | 0.448 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -52.5 | -15.2 | 152.7 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | L726 | V722-L726 HydrophobicContact CG1-CD1 3.79Å; V722-L726 HydrophobicContact CG1-CG 4.35Å; V722-L726 VanDerWaalsContact O-CB 3.3Å; V722-L726 WeakPolarHBondContact O-CB 3.03Å; V722-L726 WeakPolarHBondContact O-CD1 3.45Å; V722-L726 WeakPolarHBondContact O-CG 3.5Å; V722-L726 PolarHBondContact O-N 3.2Å |
| 723 | I | 34.7 | Very low | 29.5 | Very low | 70 Ų | 70 | 124.7 Ų | 124.7 | 36% | 0.359 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -76.4 | -45.2 | 170.4 | -68.1 | -177.7 | 0 | 0 | 0 | 111.2 | P720 D721 W725 L726 E727 | P720-I723 HydrophobicContact CB-CB 4.46Å; P720-I723 HydrophobicContact CB-CD1 4.06Å; D721-I723 PolarHBondContact O-N 2.69Å; I723-W725 PolarHBondContact O-N 3.33Å; I723-W725 VanDerWaalsContact O-N 3.17Å; I723-L726 PolarHBondContact O-N 2.64Å; I723-E727 HydrophobicContact CG2-CG 3.9Å; I723-E727 WeakPolarHBondContact O-CB 3.48Å; I723-E727 WeakPolarHBondContact O-CG 3.42Å; I723-E727 PolarHBondContact O-N 2.95Å |
| 724 | R | 32.2 | Very low | 29.6 | Very low | 177 Ų | 177 | 126.8 Ų | 126.8 | 67% | 0.668 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -60.9 | -26 | 177.3 | -172.7 | 160.3 | 56.4 | -174.9 | 2.8 | 113.1 | D721 | D721-R724 WeakPolarHBondContact O-CB 3.29Å; D721-R724 PolarHBondContact O-N 3.17Å; D721-R724 WeakPolarHBondContact OD1-CB 3.41Å; D721-R724 IonicContact OD1-CZ 3.28Å; D721-R724 IonicContact OD1-NE 3.35Å; D721-R724 PolarHBondContact OD1-NE 3.41Å; D721-R724 IonicContact OD1-NH2 2.84Å; D721-R724 PolarHBondContact OD1-NH2 3.48Å; D721-R724 IonicContact OD2-CZ 2.66Å; D721-R724 IonicContact OD2-NE 2.81Å; D721-R724 IonicContact OD2-NH2 3.47Å; D721-R724 PolarHBondContact OD2-NH2 3.33Å |
| 725 | W | 32.6 | Very low | 29.4 | Very low | 205 Ų | 205 | 124.8 Ų | 124.8 | 78% | 0.777 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -85.3 | -36.6 | 171.4 | -170.2 | 66.7 | 0 | 0 | 0 | 113.9 | D721 I723 | D721-W725 PolarHBondContact O-N 2.84Å; I723-W725 PolarHBondContact O-N 3.33Å; I723-W725 VanDerWaalsContact O-N 3.17Å |
| 726 | L | 35 | Very low | 29.6 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 53% | 0.534 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -81.5 | -15.6 | -179.5 | -72.7 | 174.9 | 0 | 0 | 0 | 114.7 | V722 I723 | V722-L726 HydrophobicContact CG1-CD1 3.79Å; V722-L726 HydrophobicContact CG1-CG 4.35Å; V722-L726 VanDerWaalsContact O-CB 3.3Å; V722-L726 WeakPolarHBondContact O-CB 3.03Å; V722-L726 WeakPolarHBondContact O-CD1 3.45Å; V722-L726 WeakPolarHBondContact O-CG 3.5Å; V722-L726 PolarHBondContact O-N 3.2Å; I723-L726 PolarHBondContact O-N 2.64Å |
| 727 | E | 32 | Very low | 29.6 | Very low | 143 Ų | 143 | 131.1 Ų | 131.1 | 67% | 0.668 | 68% | 0.684 | S | S | * | * | G | 310 helix | trans | -78.4 | -19 | 179.6 | -76.7 | -178.3 | 148.2 | 0 | 0 | 113.9 | I723 T729 | I723-E727 HydrophobicContact CG2-CG 3.9Å; I723-E727 WeakPolarHBondContact O-CB 3.48Å; I723-E727 WeakPolarHBondContact O-CG 3.42Å; I723-E727 PolarHBondContact O-N 2.95Å; E727-T729 VanDerWaalsContact C-N 3.31Å; E727-T729 PolarHBondContact O-N 3.29Å |
| 728 | N | 29.3 | Very low | 29.3 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -80.2 | 2.7 | -179.6 | -90.1 | -23.6 | 0 | 0 | 0 | 115.5 | ||
| 729 | T | 31.1 | Very low | 28.9 | Very low | 122 Ų | 122 | 129.9 Ų | 129.9 | 75% | 0.748 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -136.3 | 42.1 | 176.3 | 44.4 | 0 | 0 | 0 | 0 | 114.5 | E727 | E727-T729 VanDerWaalsContact C-N 3.31Å; E727-T729 PolarHBondContact O-N 3.29Å |
| 730 | R | 28.8 | Very low | 28.6 | Very low | 223 Ų | 223 | 129 Ų | 129 | 84% | 0.842 | 68% | 0.68 | S | S | * | * | trans | -155 | 78.2 | 169.2 | -128.5 | -174.4 | -161.5 | 104.4 | 1.4 | 116.3 | ||||
| 731 | D | 26.4 | Very low | 28.3 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 52% | 0.519 | 68% | 0.675 | S | S | . | * | trans | -149.8 | 81.1 | 166.3 | -112.2 | -24.3 | 0 | 0 | 0 | 112.2 | H1836 G1837 | D731-H1836 WeakPolarHBondContact OD2-CA 3.4Å; D731-H1836 PolarHBondContact OD2-N 2.83Å; D731-G1837 VanDerWaalsContact CG-N 3.35Å; D731-G1837 PolarHBondContact OD1-N 3.26Å; D731-G1837 WeakPolarHBondContact OD2-CA 3.32Å; D731-G1837 PolarHBondContact OD2-N 3.19Å | ||
| 732 | A | 27.3 | Very low | 28 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 84% | 0.835 | 69% | 0.69 | S | S | * | * | trans | -159.2 | 33.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 733 | T | 26 | Very low | 27.6 | Very low | 118 Ų | 118 | 133.9 Ų | 133.9 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | trans | -142.8 | 141.7 | 170.7 | 48 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 734 | M | 24.6 | Very low | 27.1 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 86% | 0.857 | 72% | 0.717 | S | S | * | * | trans | 75.7 | 112.5 | -162.9 | -46.9 | -58.7 | 112.9 | 0 | 0 | 110.9 | ||||
| 735 | S | 25.3 | Very low | 26.6 | Very low | 98 Ų | 98 | 130.8 Ų | 130.8 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | -160 | 158 | 63.4 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 736 | N | 26.1 | Very low | 26.2 | Very low | 135 Ų | 135 | 128.8 Ų | 128.8 | 72% | 0.722 | 72% | 0.719 | S | S | * | * | trans | 61.3 | 124.4 | 147.5 | -56 | -15.2 | 0 | 0 | 0 | 121.6 | ||||
| 737 | N | 25.8 | Very low | 25.7 | Very low | 149 Ų | 149 | 127.4 Ų | 127.4 | 80% | 0.797 | 72% | 0.718 | S | S | * | * | trans | 72 | 147.5 | 150.7 | -58.9 | -1.5 | 0 | 0 | 0 | 117.5 | ||||
| 738 | C | 22.9 | Very low | 25.4 | Very low | 102 Ų | 102 | 128.1 Ų | 128.1 | 69% | 0.689 | 72% | 0.721 | S | S | * | * | cis | -160.5 | 168.9 | -16.2 | -111.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 739 | Q | 24.1 | Very low | 25.2 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | trans | 66.2 | 137.2 | 175.5 | -68.3 | 172.9 | -57.6 | 0 | 0 | 115.1 | V741 | Q739-V741 HydrophobicContact CB-CG2 4.27Å; Q739-V741 HydrophobicContact CG-CG2 4.41Å | ||
| 740 | V | 25 | Very low | 24.9 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 79% | 0.788 | 72% | 0.717 | S | S | * | * | cis | 65.2 | 51.3 | 9.8 | -156.4 | 0 | 0 | 0 | 0 | 114.2 | S742 | V740-S742 VanDerWaalsContact C-OG 3.25Å; V740-S742 PolarHBondContact O-OG 3.07Å | ||
| 741 | V | 22.8 | Very low | 24.9 | Very low | 93 Ų | 93 | 120.8 Ų | 120.8 | 56% | 0.564 | 71% | 0.709 | S | S | * | * | trans | -143.8 | 104.7 | 150.6 | 173.5 | 0 | 0 | 0 | 0 | 104.9 | Q739 Q743 | Q739-V741 HydrophobicContact CB-CG2 4.27Å; Q739-V741 HydrophobicContact CG-CG2 4.41Å; V741-Q743 HydrophobicContact CG1-CB 4.2Å; V741-Q743 VanDerWaalsContact CG1-O 3.29Å; V741-Q743 WeakPolarHBondContact CG1-O 3.17Å | ||
| 742 | S | 23 | Very low | 24.9 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | cis | 73.8 | 15.6 | 2.6 | 81.1 | 0 | 0 | 0 | 0 | 118.8 | V740 | V740-S742 VanDerWaalsContact C-OG 3.25Å; V740-S742 PolarHBondContact O-OG 3.07Å | ||
| 743 | Q | 24.7 | Very low | 24.9 | Very low | 162 Ų | 162 | 120.8 Ų | 120.8 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | -162.8 | 155.4 | 164.9 | -97.6 | 160.9 | 21.4 | 0 | 0 | 106 | V741 | V741-Q743 HydrophobicContact CG1-CB 4.2Å; V741-Q743 VanDerWaalsContact CG1-O 3.29Å; V741-Q743 WeakPolarHBondContact CG1-O 3.17Å | ||
| 744 | S | 23.6 | Very low | 24.9 | Very low | 90 Ų | 90 | 119 Ų | 119 | 63% | 0.629 | 71% | 0.707 | S | S | * | * | cis | -178.7 | 151.9 | -28.2 | 46.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 745 | S | 23.1 | Very low | 25.1 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 64% | 0.636 | 70% | 0.696 | S | S | * | * | trans | 52 | 133 | 148 | 65.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 746 | L | 23.7 | Very low | 25.1 | Very low | 163 Ų | 163 | 116.9 Ų | 116.9 | 85% | 0.853 | 69% | 0.691 | S | S | * | * | trans | 71.8 | 151.6 | 151.3 | -59.7 | 159.7 | 0 | 0 | 0 | 116 | ||||
| 747 | S | 24.2 | Very low | 25.1 | Very low | 74 Ų | 74 | 114 Ų | 114 | 52% | 0.517 | 67% | 0.673 | S | S | . | * | cis | -175.9 | 166.9 | -14.9 | 49.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 748 | H | 26 | Very low | 25.2 | Very low | 158 Ų | 158 | 108.9 Ų | 108.9 | 73% | 0.731 | 65% | 0.649 | S | S | * | * | trans | 72.6 | 122.2 | 157.9 | -61.7 | -50.6 | 0 | 0 | 0 | 117.3 | ||||
| 749 | L | 24.7 | Very low | 25.4 | Very low | 147 Ų | 147 | 108.3 Ų | 108.3 | 77% | 0.77 | 64% | 0.639 | S | S | * | * | 82.9 | 135.8 | 102.2 | -69.8 | 178 | 0 | 0 | 0 | 113.5 | |||||
| 750 | S | 26 | Very low | 25.6 | Very low | 95 Ų | 95 | 105.3 Ų | 105.3 | 66% | 0.664 | 62% | 0.624 | S | S | * | * | cis | -143.6 | 145.1 | 2.7 | -31.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 751 | S | 26.9 | Very low | 25.8 | Very low | 96 Ų | 96 | 104.6 Ų | 104.6 | 67% | 0.671 | 62% | 0.615 | S | S | * | * | 58.5 | 107.1 | 97.6 | -43.1 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 752 | S | 27.1 | Very low | 26.1 | Very low | 119 Ų | 119 | 105.3 Ų | 105.3 | 83% | 0.832 | 62% | 0.62 | S | S | * | * | 83.8 | 151.7 | 95 | 76.1 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 753 | A | 28.1 | Very low | 26.5 | Very low | 79 Ų | 79 | 106.3 Ų | 106.3 | 65% | 0.653 | 62% | 0.617 | S | S | * | * | cis | -152.3 | 146.2 | 14.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 754 | S | 25.9 | Very low | 26.8 | Very low | 79 Ų | 79 | 104.8 Ų | 104.8 | 55% | 0.552 | 61% | 0.614 | S | S | * | * | 83.9 | 149.8 | 97.2 | 71.1 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 755 | L | 27.4 | Very low | 27.3 | Very low | 120 Ų | 120 | 108.2 Ų | 108.2 | 63% | 0.628 | 62% | 0.62 | S | S | * | * | trans | 70.9 | 149 | 166.1 | -58.4 | 156.2 | 0 | 0 | 0 | 116 | ||||
| 756 | N | 25.2 | Very low | 27.6 | Very low | 109 Ų | 109 | 111.2 Ų | 111.2 | 58% | 0.583 | 62% | 0.617 | S | S | * | * | cis | -167.4 | 167.3 | -40.3 | -127 | 15.2 | 0 | 0 | 0 | 108.5 | ||||
| 757 | Q | 27.5 | Very low | 28.2 | Very low | 75 Ų | 75 | 108.8 Ų | 108.8 | 35% | 0.35 | 61% | 0.612 | S | S | . | * | trans | 67.4 | 109.9 | 153.7 | -81.9 | 156 | 15.5 | 0 | 0 | 116.3 | M1492 | Q757-M1492 HydrophobicContact CB-SD 3.88Š| ||
| 758 | S | 26.7 | Very low | 28.3 | Very low | 41 Ų | 41 | 112.6 Ų | 112.6 | 29% | 0.287 | 62% | 0.624 | S | S | . | * | 79.3 | 137.7 | 82.5 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | M1492 | S758-M1492 PolarHBondContact OG-N 3.45Š| |||
| 759 | D | 28 | Very low | 28.5 | Very low | 89 Ų | 89 | 111 Ų | 111 | 48% | 0.476 | 62% | 0.621 | S | S | . | * | B | Isolated β-bridge | cis | -165.8 | -141.4 | 17.4 | -142.5 | 49.2 | 0 | 0 | 0 | 111.3 | S1489 S1491 | D759-S1489 VanDerWaalsContact N-CA 3.3Å; D759-S1489 WeakPolarHBondContact O-CA 3.16Å; D759-S1489 PolarHBondContact O-N 3.17Å; D759-S1491 VanDerWaalsContact CB-O 3.24Å; D759-S1491 WeakPolarHBondContact CB-O 3.43Å |
| 760 | F | 28.3 | Very low | 28.6 | Very low | 100 Ų | 100 | 110.9 Ų | 110.9 | 44% | 0.439 | 62% | 0.617 | S | S | . | * | trans | 25.2 | 122.3 | 160.2 | -76 | -95.4 | 0 | 0 | 0 | 120.1 | S1489 | F760-S1489 PolarHBondContact O-N 3.02Š| ||
| 761 | N | 29 | Very low | 28.9 | Very low | 115 Ų | 115 | 111.6 Ų | 111.6 | 62% | 0.615 | 62% | 0.617 | S | S | * | * | 79.1 | 139.1 | 71.3 | -72.8 | 19.5 | 0 | 0 | 0 | 113.5 | |||||
| 762 | T | 29 | Very low | 29.2 | Very low | 108 Ų | 108 | 111.1 Ų | 111.1 | 66% | 0.663 | 61% | 0.611 | S | S | * | * | cis | -163.2 | 162.9 | 9.5 | 5.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 763 | D | 31 | Very low | 29.3 | Very low | 123 Ų | 123 | 110.1 Ų | 110.1 | 66% | 0.658 | 59% | 0.594 | S | S | * | * | trans | 73.3 | 130.8 | 146 | -55.2 | -17.3 | 0 | 0 | 0 | 126.2 | ||||
| 764 | D | 31.6 | Very low | 29.4 | Very low | 129 Ų | 129 | 112.1 Ų | 112.1 | 69% | 0.69 | 59% | 0.588 | S | S | * | * | trans | 74 | 114.8 | 134.9 | -69.8 | 7.8 | 0 | 0 | 0 | 126.8 | ||||
| 765 | H | 34.4 | Very low | 29.4 | Very low | 162 Ų | 162 | 112 Ų | 112 | 75% | 0.75 | 58% | 0.58 | S | S | * | * | 39.7 | 145.9 | 117 | -59.9 | -47 | 0 | 0 | 0 | 122 | |||||
| 766 | R | 29.8 | Very low | 29.5 | Very low | 154 Ų | 154 | 110.5 Ų | 110.5 | 58% | 0.581 | 58% | 0.578 | S | S | * | * | cis | -159.9 | 168.2 | 7.7 | -125.9 | -176.1 | 175.3 | -127.7 | -13.2 | 110.5 | S827 | R766-S827 PolarHBondContact NH2-O 2.69Š| ||
| 767 | P | 35.7 | Very low | 29.5 | Very low | 113 Ų | 113 | 110.7 Ų | 110.7 | 73% | 0.734 | 59% | 0.587 | S | S | * | * | trans | -113.9 | 173.3 | -177.7 | 41.8 | -31.9 | 0 | 0 | 0 | 115.7 | ||||
| 768 | I | 26.7 | Very low | 29.4 | Very low | 153 Ų | 153 | 114.4 Ų | 114.4 | 79% | 0.785 | 61% | 0.609 | S | S | * | * | trans | -171.3 | 122.7 | 163.5 | -106.5 | 152.1 | 0 | 0 | 0 | 107.4 | ||||
| 769 | N | 29.2 | Very low | 29.3 | Very low | 124 Ų | 124 | 120.2 Ų | 120.2 | 66% | 0.663 | 64% | 0.636 | S | S | * | * | 68.8 | 141.2 | 90.3 | -72.6 | 34.7 | 0 | 0 | 0 | 114.3 | |||||
| 770 | E | 28.3 | Very low | 29.2 | Very low | 146 Ų | 146 | 122 Ų | 122 | 68% | 0.682 | 65% | 0.65 | S | S | * | * | cis | -165.6 | 160.5 | 1.3 | -119.7 | 171.9 | 130.8 | 0 | 0 | 114.5 | ||||
| 771 | V | 30.4 | Very low | 29.1 | Very low | 109 Ų | 109 | 126.2 Ų | 126.2 | 66% | 0.661 | 67% | 0.671 | S | S | * | * | trans | 80.7 | 146.5 | 144.1 | 162.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 772 | P | 34.3 | Very low | 28.8 | Very low | 86 Ų | 86 | 126.1 Ų | 126.1 | 56% | 0.558 | 68% | 0.679 | S | S | * | * | trans | -132.4 | -160.9 | -159.5 | 42.9 | -22.3 | 0 | 0 | 0 | 115.1 | ||||
| 773 | E | 29.8 | Very low | 28.8 | Very low | 99 Ų | 99 | 126.1 Ų | 126.1 | 46% | 0.463 | 68% | 0.681 | S | S | . | * | -177 | 142.3 | 112.9 | -97.7 | -159.7 | 108.6 | 0 | 0 | 117 | S669 V670 | S669-E773 WeakPolarHBondContact CB-OE2 3.27Å; S669-E773 PolarHBondContact OG-OE1 3.4Å; S669-E773 VanDerWaalsContact OG-OE1 3.1Å; S669-E773 PolarHBondContact OG-OE2 3.01Å; V670-E773 WeakPolarHBondContact CG1-O 3.42Å; V670-E773 WeakPolarHBondContact CG2-O 3.5Å | |||
| 774 | K | 28.9 | Very low | 28.4 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 52% | 0.522 | 68% | 0.683 | S | S | . | * | trans | 48.1 | -162.2 | 167.5 | -97.3 | 148.9 | -86.1 | 173.7 | 0 | 115.4 | T668 S669 V670 | T668-K774 PolarHBondContact O-NZ 3.31Å; S669-K774 WeakPolarHBondContact OG-CD 3.4Å; S669-K774 WeakPolarHBondContact OG-CE 3.37Å; S669-K774 PolarHBondContact OG-NZ 2.89Å; V670-K774 HydrophobicContact CG2-CB 3.18Å | ||
| 775 | I | 27.4 | Very low | 28.1 | Very low | 78 Ų | 78 | 124.8 Ų | 124.8 | 40% | 0.4 | 69% | 0.686 | S | S | . | * | cis | -137.3 | 169.2 | 19.8 | -146.7 | -116.6 | 0 | 0 | 0 | 111.1 | V670 Q671 | V670-I775 HydrophobicContact CB-CB 3.88Å; V670-I775 HydrophobicContact CB-CG1 3.81Å; V670-I775 HydrophobicContact CG2-CB 3.45Å; V670-I775 VanDerWaalsContact CG2-CB 3.45Å; V670-I775 HydrophobicContact CG2-CG1 3.6Å; Q671-I775 HydrophobicContact CB-CD1 4.37Å; Q671-I775 HydrophobicContact CG-CB 4.37Å; Q671-I775 HydrophobicContact CG-CD1 3.91Å; Q671-I775 HydrophobicContact CG-CG1 4.14Å; Q671-I775 HydrophobicContact CG-CG2 3.99Å | ||
| 776 | P | 27.9 | Very low | 27.5 | Very low | 88 Ų | 88 | 123.4 Ų | 123.4 | 57% | 0.571 | 68% | 0.684 | S | S | * | * | trans | -107.9 | 149.5 | 176.2 | 38 | -32.1 | 0 | 0 | 0 | 115.8 | ||||
| 777 | S | 26.5 | Very low | 27.2 | Very low | 112 Ų | 112 | 124.8 Ų | 124.8 | 78% | 0.783 | 69% | 0.694 | S | S | * | * | -171.4 | 127.9 | 110.7 | 37 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 778 | N | 24.6 | Very low | 26.7 | Very low | 153 Ų | 153 | 124.8 Ų | 124.8 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | 15.7 | 111.2 | 152.5 | -52.1 | -28.7 | 0 | 0 | 0 | 118.9 | ||||
| 779 | I | 24.8 | Very low | 26.6 | Very low | 164 Ų | 164 | 126.2 Ų | 126.2 | 84% | 0.841 | 70% | 0.7 | S | S | * | * | -165.9 | 137.9 | 112.3 | -99.1 | 154 | 0 | 0 | 0 | 112.3 | |||||
| 780 | V | 25.4 | Very low | 26.4 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 76% | 0.764 | 71% | 0.712 | S | S | * | * | trans | -10.8 | 123.1 | 159.6 | -164.9 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 781 | E | 27 | Very low | 26.3 | Very low | 189 Ų | 189 | 127.7 Ų | 127.7 | 88% | 0.883 | 72% | 0.715 | S | S | * | * | -172.7 | 148.7 | 117.7 | -102.7 | 175.5 | -164.9 | 0 | 0 | 113.5 | |||||
| 782 | S | 22.3 | Very low | 26.2 | Very low | 113 Ų | 113 | 129.8 Ų | 129.8 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -110.7 | 149.8 | 169.2 | -65.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 783 | P | 28.7 | Very low | 26 | Very low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | cis | -150.3 | -165.6 | 47.5 | 43.1 | -21.9 | 0 | 0 | 0 | 115.7 | ||||
| 784 | S | 23.2 | Very low | 26.1 | Very low | 101 Ų | 101 | 128.2 Ų | 128.2 | 71% | 0.706 | 72% | 0.719 | S | S | * | * | trans | -46.5 | 137.2 | 172.7 | 56.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 785 | V | 24 | Very low | 26.4 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 74% | 0.739 | 73% | 0.729 | S | S | * | * | 178.7 | 134 | 120.1 | 145.1 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 786 | N | 22.6 | Very low | 26.9 | Very low | 133 Ų | 133 | 132.9 Ų | 132.9 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | 66.8 | 117 | 160.2 | -73.1 | -17.6 | 0 | 0 | 0 | 123 | ||||
| 787 | K | 24.3 | Very low | 28.6 | Very low | 183 Ų | 183 | 130.1 Ų | 130.1 | 80% | 0.796 | 73% | 0.725 | S | S | * | * | trans | 85.3 | 148.7 | 130.6 | -66.7 | 175.7 | 177.5 | -174.2 | 0 | 122.4 | ||||
| 788 | S | 24.6 | Very low | 31.1 | Very low | 114 Ų | 114 | 127.7 Ų | 127.7 | 80% | 0.797 | 70% | 0.703 | S | S | * | * | trans | 85.5 | 145.3 | 157 | -24.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 789 | Q | 24.9 | Very low | 33.9 | Very low | 183 Ų | 183 | 123.8 Ų | 123.8 | 86% | 0.855 | 68% | 0.684 | S | S | * | * | trans | -79 | 153.2 | 179.5 | -56.9 | 115.6 | -100 | 0 | 0 | 112.2 | ||||
| 790 | E | 25.7 | Very low | 37 | Very low | 195 Ų | 195 | 119.2 Ų | 119.2 | 91% | 0.911 | 66% | 0.664 | S | S | * | * | trans | -150.9 | 159.4 | 132.7 | -120.9 | 158.6 | -144.1 | 0 | 0 | 109.9 | ||||
| 791 | S | 25.5 | Very low | 40 | Very low | 106 Ų | 106 | 114 Ų | 114 | 74% | 0.741 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 128.2 | -162.8 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | ||
| 792 | I | 28.1 | Very low | 43 | Very low | 152 Ų | 152 | 111.8 Ų | 111.8 | 78% | 0.779 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -78 | 124 | 168.8 | -54.6 | 175.8 | 0 | 0 | 0 | 108.5 | ||
| 793 | N | 29.8 | Very low | 46 | Very low | 50 Ų | 50 | 106.5 Ų | 106.5 | 27% | 0.267 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -62 | 139.8 | -179.7 | -86.8 | -18.2 | 0 | 0 | 0 | 112 | K795 D796 | N793-K795 PolarHBondContact O-N 2.78Å; N793-D796 PolarHBondContact O-N 3.48Å |
| 794 | S | 31.3 | Very low | 48.5 | Very low | 103 Ų | 103 | 107 Ų | 107 | 72% | 0.72 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 1.7 | -175.4 | 51.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 795 | K | 35.9 | Very low | 51.1 | Low | 169 Ų | 169 | 103 Ų | 103 | 74% | 0.735 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -40.6 | 178.2 | -68.1 | 178.2 | 179.4 | 172.1 | 0 | 112.8 | N793 S797 I798 | N793-K795 PolarHBondContact O-N 2.78Å; K795-S797 PolarHBondContact O-N 2.99Å; K795-I798 PolarHBondContact O-N 2.86Å |
| 796 | D | 37.6 | Very low | 53.3 | Low | 126 Ų | 126 | 101.9 Ų | 101.9 | 67% | 0.674 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.6 | -174.4 | -61.2 | -8.9 | 0 | 0 | 0 | 113.9 | N793 | N793-D796 PolarHBondContact O-N 3.48Š|
| 797 | S | 63.9 | Low | 55.8 | Low | 31 Ų | 31 | 103 Ų | 103 | 22% | 0.217 | 54% | 0.537 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -0.4 | 178.6 | 31.4 | 0 | 0 | 0 | 0 | 114.9 | K795 L901 P902 | K795-S797 PolarHBondContact O-N 2.99Å; S797-L901 WeakPolarHBondContact O-CD1 3.48Å; S797-P902 WeakPolarHBondContact O-CD 3.36Å |
| 798 | I | 78.7 | Confident | 58.1 | Low | 61 Ų | 61 | 101.8 Ų | 101.8 | 31% | 0.313 | 53% | 0.527 | S | S | . | . | trans | -93.3 | 113 | 178.7 | -55.5 | 171.8 | 0 | 0 | 0 | 109.9 | K795 L868 R899 | K795-I798 PolarHBondContact O-N 2.86Å; I798-L868 HydrophobicContact CD1-CD1 3.64Å; I798-L868 HydrophobicContact CG1-CD1 3.79Å; I798-L868 HydrophobicContact CG2-CD1 4.14Å; I798-R899 HydrophobicContact CG2-CB 4.03Å | ||
| 799 | V | 83.8 | Confident | 60.5 | Low | 71 Ų | 71 | 98.3 Ų | 98.3 | 43% | 0.43 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 138 | 175.4 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | I801 V900 P902 | V799-I801 HydrophobicContact CG1-CG1 4.1Å; V799-V900 PolarHBondContact N-O 3.3Å; V799-V900 PolarHBondContact O-N 2.78Å; V799-P902 HydrophobicContact CB-CG 4.24Å; V799-P902 HydrophobicContact CG2-CG 3.58Å |
| 800 | T | 89.4 | Confident | 62.9 | Low | 68 Ų | 68 | 91.2 Ų | 91.2 | 42% | 0.417 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131.5 | 169.8 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | I897 L898 | T800-I897 HydrophobicContact CG2-CG2 3.66Å; T800-L898 CarbonylContact C-O 3.54Å; T800-L898 WeakPolarHBondContact CA-O 2.99Å |
| 801 | I | 88.5 | Confident | 65.5 | Low | 15 Ų | 15 | 87 Ų | 87 | 8% | 0.077 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.1 | -176.2 | -64.3 | 160.2 | 0 | 0 | 0 | 108.4 | V799 L803 C860 L861 I897 L898 V900 | V799-I801 HydrophobicContact CG1-CG1 4.1Å; I801-L803 HydrophobicContact CG2-CD2 3.74Å; I801-L803 HydrophobicContact CG2-CG 4.02Å; I801-C860 WeakPolarHBondContact CD1-O 3.24Å; I801-C860 HydrophobicContact CG2-CB 4.08Å; I801-L861 HydrophobicContact CD1-CD2 3.43Å; I801-L861 VanDerWaalsContact CD1-CD2 3.43Å; I801-L861 HydrophobicContact CD1-CG 4.22Å; I801-I897 WeakPolarHBondContact O-CA 3.29Å; I801-L898 HydrophobicContact CB-CB 4.45Å; I801-L898 PolarHBondContact N-O 2.65Å; I801-L898 PolarHBondContact O-N 3.33Å; I801-V900 HydrophobicContact CD1-CB 4.14Å; I801-V900 HydrophobicContact CD1-CG2 3.97Å |
| 802 | R | 89.6 | Confident | 68.5 | Low | 143 Ų | 143 | 82 Ų | 82 | 54% | 0.54 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 126.9 | 177.3 | -73 | 175.2 | 172.8 | -94.9 | 6.8 | 109.9 | E895 I896 I897 | R802-E895 WeakPolarHBondContact CB-OE1 3.19Å; R802-E895 WeakPolarHBondContact CD-OE1 3.38Å; R802-E895 VanDerWaalsContact CG-OE1 3.25Å; R802-E895 WeakPolarHBondContact CG-OE1 3.38Å; R802-E895 IonicContact CZ-OE1 2.77Å; R802-E895 IonicContact NE-OE1 3.98Å; R802-E895 IonicContact NH1-OE1 2.96Å; R802-E895 PolarHBondContact NH1-OE1 3.37Å; R802-E895 IonicContact NH1-OE2 3.2Å; R802-E895 PolarHBondContact NH1-OE2 2.78Å; R802-I896 CarbonylContact C-O 3.49Å; R802-I896 WeakPolarHBondContact CA-O 3.47Å; R802-I897 HydrophobicContact CG-CG1 4.32Å; R802-I897 HydrophobicContact CG-CG2 4.42Å |
| 803 | L | 86.4 | Confident | 71.4 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 114.4 | -179.3 | -51.3 | 173.4 | 0 | 0 | 0 | 109.4 | I801 L812 C860 I896 L898 | I801-L803 HydrophobicContact CG2-CD2 3.74Å; I801-L803 HydrophobicContact CG2-CG 4.02Å; L803-L812 HydrophobicContact CD1-CD1 3.67Å; L803-L812 HydrophobicContact CD1-CD2 3.94Å; L803-L812 HydrophobicContact CD1-CG 4.45Å; L803-C860 HydrophobicContact CD2-CB 4.25Å; L803-I896 HydrophobicContact CB-CB 4.31Å; L803-I896 PolarHBondContact N-O 3.33Å; L803-I896 PolarHBondContact O-N 2.96Å; L803-L898 HydrophobicContact CD1-CD1 4.1Å |
| 804 | I | 82 | Confident | 74.3 | Confident | 118 Ų | 118 | 73.4 Ų | 73.4 | 61% | 0.605 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 119.2 | -179 | -59.4 | 167.9 | 0 | 0 | 0 | 109.3 | T806 R854 P894 | I804-T806 PolarHBondContact O-N 2.8Å; I804-R854 PolarHBondContact O-NH1 2.86Å; I804-R854 PolarHBondContact O-NH2 2.74Å; I804-P894 CarbonylContact C-O 3.46Å; I804-P894 WeakPolarHBondContact CA-O 3.4Å |
| 805 | N | 76.3 | Confident | 77.1 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 9% | 0.091 | 37% | 0.366 | C | S | . | . | trans | -72.7 | 119.8 | -173.2 | -122.6 | -18.9 | 0 | 0 | 0 | 111.5 | K807 L891 E893 P894 | N805-K807 PolarHBondContact OD1-O 3.46Å; N805-L891 PolarHBondContact ND2-O 2.85Å; N805-E893 VanDerWaalsContact CB-O 3.27Å; N805-E893 WeakPolarHBondContact CB-O 3.39Å; N805-E893 PolarHBondContact ND2-O 3.38Å; N805-P894 PolarHBondContact N-O 2.69Å | ||
| 806 | T | 71.1 | Confident | 79.8 | Confident | 100 Ų | 100 | 65.7 Ų | 65.7 | 61% | 0.613 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -82.8 | -22.7 | -178.5 | 72.6 | 0 | 0 | 0 | 0 | 112.6 | I804 E810 | I804-T806 PolarHBondContact O-N 2.8Å; T806-E810 PolarHBondContact N-OE2 2.95Å; T806-E810 PolarHBondContact OG1-OE2 2.84Å |
| 807 | K | 74.2 | Confident | 82.3 | Confident | 157 Ų | 157 | 62.6 Ų | 62.6 | 68% | 0.683 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -140.1 | 136.7 | 168 | -59 | 178.9 | -177.2 | 178.1 | 0 | 106.6 | N805 G809 E810 | N805-K807 PolarHBondContact OD1-O 3.46Å; K807-G809 PolarHBondContact O-N 2.75Å; K807-E810 HydrophobicContact CB-CB 4.43Å; K807-E810 VanDerWaalsContact O-CB 3.27Å; K807-E810 WeakPolarHBondContact O-CB 3.45Å; K807-E810 PolarHBondContact O-N 2.94Å; K807-E810 VanDerWaalsContact O-N 3.08Å |
| 808 | R | 74.1 | Confident | 83.4 | Confident | 156 Ų | 156 | 61.9 Ų | 61.9 | 59% | 0.589 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | 132.4 | 173.3 | -66.7 | -175.6 | -178.6 | -115.3 | 9.4 | 109 | N892 | R808-N892 WeakPolarHBondContact CD-O 3.18Å; R808-N892 WeakPolarHBondContact CG-O 3.22Å; R808-N892 PolarHBondContact NH1-O 2.95Å |
| 809 | G | 73.2 | Confident | 83.3 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 42% | 0.423 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 10.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115.3 | K807 N811 L891 | K807-G809 PolarHBondContact O-N 2.75Å; G809-N811 PolarHBondContact O-N 3.47Å; G809-L891 VanDerWaalsContact CA-O 3.31Å; G809-L891 WeakPolarHBondContact CA-O 3.3Å; G809-L891 PolarHBondContact N-O 2.85Å |
| 810 | E | 77.1 | Confident | 82.3 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 16% | 0.164 | 30% | 0.295 | C | S | . | . | trans | -60.8 | 118.4 | 176.1 | -173 | -176.2 | -176.6 | 0 | 0 | 110.7 | T806 K807 L812 R854 R857 | T806-E810 PolarHBondContact N-OE2 2.95Å; T806-E810 PolarHBondContact OG1-OE2 2.84Å; K807-E810 HydrophobicContact CB-CB 4.43Å; K807-E810 VanDerWaalsContact O-CB 3.27Å; K807-E810 WeakPolarHBondContact O-CB 3.45Å; K807-E810 PolarHBondContact O-N 2.94Å; K807-E810 VanDerWaalsContact O-N 3.08Å; E810-L812 PolarHBondContact O-N 3.4Å; E810-L812 VanDerWaalsContact O-N 3.07Å; E810-R854 WeakPolarHBondContact OE1-CD 3.14Å; E810-R854 IonicContact OE2-CZ 2.92Å; E810-R854 IonicContact OE2-NH1 3.58Å; E810-R854 PolarHBondContact OE2-NH1 2.84Å; E810-R857 IonicContact OE1-NH2 3.26Å | ||
| 811 | N | 79.2 | Confident | 80.3 | Confident | 107 Ų | 107 | 59.7 Ų | 59.7 | 57% | 0.572 | 30% | 0.298 | S | S | * | . | trans | -67.8 | 111.2 | 178.9 | -175 | -14.7 | 0 | 0 | 0 | 110.4 | G809 G813 | G809-N811 PolarHBondContact O-N 3.47Å; N811-G813 PolarHBondContact O-N 3.07Å; N811-G813 PolarHBondContact OD1-N 2.94Å | ||
| 812 | L | 88 | Confident | 77.7 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | trans | -56.7 | -16.3 | 177.9 | -71.1 | 179.3 | 0 | 0 | 0 | 114.1 | L803 E810 R854 V855 F887 L891 I896 | L803-L812 HydrophobicContact CD1-CD1 3.67Å; L803-L812 HydrophobicContact CD1-CD2 3.94Å; L803-L812 HydrophobicContact CD1-CG 4.45Å; E810-L812 PolarHBondContact O-N 3.4Å; E810-L812 VanDerWaalsContact O-N 3.07Å; L812-R854 PolarHBondContact O-N 2.54Å; L812-V855 HydrophobicContact CB-CG2 4.01Å; L812-V855 WeakPolarHBondContact O-CB 3.44Å; L812-V855 WeakPolarHBondContact O-CG2 3.37Å; L812-V855 PolarHBondContact O-N 3.42Å; L812-F887 HydrophobicContact CD1-CZ 3.88Å; L812-L891 HydrophobicContact CB-CD2 4.46Å; L812-L891 HydrophobicContact CD1-CD2 3.81Å; L812-L891 HydrophobicContact CG-CD2 3.67Å; L812-I896 HydrophobicContact CD1-CD1 4.01Å | ||
| 813 | G | 88.6 | Confident | 74.8 | Confident | 3 Ų | 3 | 61 Ų | 61 | 3% | 0.031 | 33% | 0.329 | C | S | . | . | trans | 82 | 32.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | N811 L850 | N811-G813 PolarHBondContact O-N 3.07Å; N811-G813 PolarHBondContact OD1-N 2.94Å; G813-L850 WeakPolarHBondContact O-CB 3.4Å; G813-L850 PolarHBondContact O-N 3.46Å | ||
| 814 | I | 91.9 | Very high | 72 | Confident | 18 Ų | 18 | 68.8 Ų | 68.8 | 9% | 0.092 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 151.4 | 174.7 | 67.7 | 174.4 | 0 | 0 | 0 | 111.2 | I816 V846 C848 I849 V855 L861 F887 | I814-I816 HydrophobicContact CD1-CG2 4.13Å; I814-V846 HydrophobicContact CB-CG1 4.5Å; I814-V846 HydrophobicContact CD1-CG2 4.42Å; I814-V846 HydrophobicContact CG2-CG1 4.48Å; I814-C848 WeakPolarHBondContact CA-O 3.41Å; I814-I849 HydrophobicContact CG2-CG1 4.17Å; I814-I849 HydrophobicContact CG2-CG2 4.46Å; I814-V855 HydrophobicContact CG2-CB 3.67Å; I814-V855 HydrophobicContact CG2-CG1 3.66Å; I814-V855 HydrophobicContact CG2-CG2 3.79Å; I814-L861 HydrophobicContact CD1-CD1 4.01Å; I814-L861 HydrophobicContact CG2-CD1 4.48Å; I814-F887 HydrophobicContact CD1-CE1 4.48Å; I814-F887 HydrophobicContact CD1-CE2 4.12Å; I814-F887 HydrophobicContact CD1-CZ 3.64Å; I814-F887 HydrophobicContact CG1-CZ 4.08Å |
| 815 | Q | 90.4 | Very high | 69.4 | Low | 85 Ų | 85 | 70.9 Ų | 70.9 | 40% | 0.397 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 138.1 | 161.8 | -65.1 | -176.8 | 3.8 | 0 | 0 | 108.5 | H847 C848 | Q815-H847 WeakPolarHBondContact O-CA 3.37Å; Q815-H847 WeakPolarHBondContact O-CB 3.32Å; Q815-H847 PolarHBondContact O-N 3.37Å; Q815-C848 VanDerWaalsContact CG-SG 3.52Å; Q815-C848 PolarHBondContact N-O 2.86Å; Q815-C848 PolarHBondContact O-N 3.36Å |
| 816 | I | 92.2 | Very high | 67.1 | Low | 25 Ų | 25 | 75.3 Ų | 75.3 | 13% | 0.128 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 145.2 | 177.8 | 48.2 | 174 | 0 | 0 | 0 | 110.4 | I814 L844 E845 I867 F880 R884 | I814-I816 HydrophobicContact CD1-CG2 4.13Å; I816-L844 HydrophobicContact CB-CB 4.38Å; I816-L844 HydrophobicContact CD1-CD1 3.86Å; I816-L844 HydrophobicContact CD1-CD2 4.16Å; I816-L844 HydrophobicContact CD1-CG 4.47Å; I816-L844 HydrophobicContact CG2-CB 4.33Å; I816-E845 CarbonylContact C-O 3.08Å; I816-E845 WeakPolarHBondContact CA-O 3.21Å; I816-I867 HydrophobicContact CG2-CD1 4.48Å; I816-F880 HydrophobicContact CG1-CE2 4.38Å; I816-R884 HydrophobicContact CD1-CB 4.22Å; I816-R884 HydrophobicContact CD1-CG 4.27Å |
| 817 | K | 89.4 | Confident | 65.1 | Low | 60 Ų | 60 | 74.6 Ų | 74.6 | 26% | 0.261 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 156.3 | 168.6 | 67.1 | 178.6 | 165.4 | 87.7 | 0 | 110.3 | V819 E845 H847 F880 | K817-V819 PolarHBondContact O-N 2.81Å; K817-E845 WeakPolarHBondContact CE-OE1 3.23Å; K817-E845 HydrophobicContact CG-CB 3.89Å; K817-E845 PolarHBondContact N-O 2.83Å; K817-E845 IonicContact NZ-OE1 3.25Å; K817-E845 PolarHBondContact NZ-OE1 2.87Å; K817-E845 IonicContact NZ-OE2 2.75Å; K817-E845 PolarHBondContact NZ-OE2 3.11Å; K817-E845 PolarHBondContact O-N 2.7Å; K817-H847 HydrophobicContact CB-CB 3.89Å; K817-H847 HydrophobicContact CD-CB 4.17Å; K817-H847 HydrophobicContact CG-CB 3.91Å; K817-F880 VanDerWaalsContact C-CE2 3.49Å |
| 818 | P | 86.7 | Confident | 62.8 | Low | 17 Ų | 17 | 72 Ų | 72 | 11% | 0.11 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.4 | 134.3 | 168.8 | 21.9 | -33.7 | 0 | 0 | 0 | 111.4 | F820 E841 F880 | P818-F820 HydrophobicContact CB-CD1 4.41Å; P818-F820 HydrophobicContact CB-CE1 3.98Å; P818-F820 HydrophobicContact CB-CE2 4.47Å; P818-F820 HydrophobicContact CB-CZ 4.01Å; P818-F820 HydrophobicContact CG-CE1 3.94Å; P818-F820 HydrophobicContact CG-CE2 3.89Å; P818-F820 HydrophobicContact CG-CZ 3.47Å; P818-F820 VanDerWaalsContact CG-CZ 3.47Å; P818-F820 PolarHBondContact O-N 3.24Å; P818-E841 HydrophobicContact CB-CG 4.33Å; P818-F880 HydrophobicContact CB-CB 4.02Å; P818-F880 HydrophobicContact CB-CD2 3.87Å; P818-F880 HydrophobicContact CB-CG 3.94Å; P818-F880 HydrophobicContact CG-CD2 4.37Å; P818-F880 HydrophobicContact CG-CG 4.34Å |
| 819 | V | 78.4 | Confident | 60.7 | Low | 9 Ų | 9 | 72.4 Ų | 72.4 | 6% | 0.055 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 104.9 | 156.8 | 175.8 | 0 | 0 | 0 | 0 | 106.9 | K817 C842 G843 E845 R866 | K817-V819 PolarHBondContact O-N 2.81Å; V819-C842 WeakPolarHBondContact CB-O 3.13Å; V819-C842 WeakPolarHBondContact CG1-O 3.25Å; V819-C842 PolarHBondContact O-N 3.42Å; V819-G843 WeakPolarHBondContact CB-O 3.23Å; V819-G843 PolarHBondContact N-O 2.92Å; V819-E845 HydrophobicContact CG2-CB 3.83Å; V819-R866 HydrophobicContact CG2-CB 4.46Å; V819-R866 HydrophobicContact CG2-CG 3.98Å |
| 820 | F | 61 | Low | 58.4 | Low | 78 Ų | 78 | 77 Ų | 77 | 34% | 0.342 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 128 | 161.8 | -55.8 | -62.5 | 0 | 0 | 0 | 108.6 | P818 D822 E841 | P818-F820 HydrophobicContact CB-CD1 4.41Å; P818-F820 HydrophobicContact CB-CE1 3.98Å; P818-F820 HydrophobicContact CB-CE2 4.47Å; P818-F820 HydrophobicContact CB-CZ 4.01Å; P818-F820 HydrophobicContact CG-CE1 3.94Å; P818-F820 HydrophobicContact CG-CE2 3.89Å; P818-F820 HydrophobicContact CG-CZ 3.47Å; P818-F820 VanDerWaalsContact CG-CZ 3.47Å; P818-F820 PolarHBondContact O-N 3.24Å; F820-D822 VanDerWaalsContact C-N 3.32Å; F820-D822 PolarHBondContact O-N 2.9Å; F820-E841 HydrophobicContact CD1-CG 4.12Å; F820-E841 HydrophobicContact CE1-CG 4.11Å; F820-E841 WeakPolarHBondContact CE1-OE1 3.13Å |
| 821 | S | 48.2 | Very low | 56 | Low | 66 Ų | 66 | 81.6 Ų | 81.6 | 46% | 0.462 | 46% | 0.464 | S | S | . | . | trans | -66.6 | 91 | 168.4 | -62.4 | 0 | 0 | 0 | 0 | 109.5 | A823 C842 | S821-A823 PolarHBondContact O-N 2.91Å; S821-C842 VanDerWaalsContact OG-CB 3.32Å; S821-C842 WeakPolarHBondContact OG-CB 3.49Å; S821-C842 PolarHBondContact OG-SG 2.88Å; S821-C842 VanDerWaalsContact OG-SG 3.39Å | ||
| 822 | D | 34.4 | Very low | 53.4 | Low | 93 Ų | 93 | 81 Ų | 81 | 50% | 0.497 | 47% | 0.468 | S | S | . | . | trans | -67.3 | 115.9 | 165.8 | -71.3 | -34.7 | 0 | 0 | 0 | 107.9 | F820 F824 R839 | F820-D822 VanDerWaalsContact C-N 3.32Å; F820-D822 PolarHBondContact O-N 2.9Å; D822-F824 VanDerWaalsContact C-N 3.33Å; D822-F824 HydrophobicContact CB-CD2 4.23Å; D822-F824 HydrophobicContact CB-CE2 4.04Å; D822-F824 WeakPolarHBondContact O-CD2 3.08Å; D822-F824 PolarHBondContact O-N 3.06Å; D822-R839 IonicContact OD1-NH2 2.72Å; D822-R839 PolarHBondContact OD1-NH2 3.47Å | ||
| 823 | A | 27.7 | Very low | 50.5 | Low | 94 Ų | 94 | 86.7 Ų | 86.7 | 78% | 0.777 | 50% | 0.498 | S | S | * | . | trans | -68.8 | 86.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111 | S821 N825 | S821-A823 PolarHBondContact O-N 2.91Å; A823-N825 PolarHBondContact O-N 2.87Å | ||
| 824 | F | 28.9 | Very low | 47.5 | Very low | 165 Ų | 165 | 92.9 Ų | 92.9 | 72% | 0.724 | 53% | 0.531 | S | S | * | . | trans | -71.6 | 107.2 | 173.1 | -87.1 | -87.1 | 0 | 0 | 0 | 110.2 | D822 S826 | D822-F824 VanDerWaalsContact C-N 3.33Å; D822-F824 HydrophobicContact CB-CD2 4.23Å; D822-F824 HydrophobicContact CB-CE2 4.04Å; D822-F824 WeakPolarHBondContact O-CD2 3.08Å; D822-F824 PolarHBondContact O-N 3.06Å; F824-S826 PolarHBondContact O-N 2.81Å | ||
| 825 | N | 26.1 | Very low | 44.4 | Very low | 161 Ų | 161 | 97.6 Ų | 97.6 | 86% | 0.861 | 56% | 0.556 | S | S | * | * | trans | -59.2 | 113.9 | -179.5 | -70.5 | -54.4 | 0 | 0 | 0 | 112.7 | A823 | A823-N825 PolarHBondContact O-N 2.87Š| ||
| 826 | S | 28.3 | Very low | 41.3 | Very low | 111 Ų | 111 | 94.8 Ų | 94.8 | 78% | 0.776 | 55% | 0.55 | S | S | * | . | trans | -141.5 | 42.5 | 162.2 | 65.8 | 0 | 0 | 0 | 0 | 113.6 | F824 | F824-S826 PolarHBondContact O-N 2.81Š| ||
| 827 | S | 28.6 | Very low | 38.3 | Very low | 84 Ų | 84 | 95.3 Ų | 95.3 | 59% | 0.587 | 56% | 0.561 | S | S | * | * | trans | 55.6 | 116.5 | 151.7 | -58.6 | 0 | 0 | 0 | 0 | 120.6 | R766 | R766-S827 PolarHBondContact NH2-O 2.69Š| ||
| 828 | N | 26.2 | Very low | 35.6 | Very low | 102 Ų | 102 | 95.7 Ų | 95.7 | 55% | 0.545 | 57% | 0.572 | S | S | . | * | trans | 71.1 | 86.6 | 161.5 | -43 | 18.5 | 0 | 0 | 0 | 115.5 | ||||
| 829 | D | 29.6 | Very low | 33.3 | Very low | 166 Ų | 166 | 101.7 Ų | 101.7 | 89% | 0.888 | 59% | 0.592 | S | S | * | * | -127.1 | 156.5 | 97.4 | -105.4 | -41.7 | 0 | 0 | 0 | 110 | |||||
| 830 | N | 26.3 | Very low | 31.5 | Very low | 136 Ų | 136 | 105.5 Ų | 105.5 | 73% | 0.727 | 61% | 0.611 | S | S | * | * | trans | -101.8 | 102.9 | -157.2 | -63.7 | -52 | 0 | 0 | 0 | 114.2 | ||||
| 831 | C | 25.3 | Very low | 31.1 | Very low | 133 Ų | 133 | 103.8 Ų | 103.8 | 90% | 0.899 | 60% | 0.604 | S | S | * | * | trans | -133.8 | 87.4 | 152.7 | -87.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 832 | S | 24.4 | Very low | 31.5 | Very low | 94 Ų | 94 | 102.3 Ų | 102.3 | 66% | 0.657 | 59% | 0.594 | S | S | * | * | trans | -80.3 | 164.1 | 145 | 66.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 833 | D | 26.7 | Very low | 33.5 | Very low | 121 Ų | 121 | 98.1 Ų | 98.1 | 65% | 0.647 | 57% | 0.572 | S | S | * | * | cis | -151.5 | 148.9 | 24.7 | -94.7 | -70.1 | 0 | 0 | 0 | 112.4 | ||||
| 834 | N | 27 | Very low | 36.5 | Very low | 133 Ų | 133 | 93.7 Ų | 93.7 | 71% | 0.711 | 54% | 0.536 | S | S | * | . | trans | 38.5 | 81 | 138.3 | -46.7 | -40.6 | 0 | 0 | 0 | 119.4 | ||||
| 835 | N | 27 | Very low | 39.5 | Very low | 117 Ų | 117 | 86.7 Ų | 86.7 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | S | Bend | -163.2 | 150.8 | 115.7 | -97.7 | -39.2 | 0 | 0 | 0 | 111 | G837 C1435 | N835-G837 PolarHBondContact O-N 3.24Å; N835-C1435 HydrophobicContact CB-CB 3.78Å; N835-C1435 VanDerWaalsContact CG-SG 3.53Å; N835-C1435 PolarHBondContact OD1-SG 2.93Å | |
| 836 | G | 25.3 | Very low | 42.7 | Very low | 26 Ų | 26 | 79 Ų | 79 | 27% | 0.268 | 46% | 0.464 | S | S | . | . | trans | -29.5 | 113.1 | -160.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | S1434 C1435 | G836-S1434 CarbonylContact O-C 3.48Å; G836-S1434 VanDerWaalsContact O-CA 3.25Å; G836-S1434 WeakPolarHBondContact O-CA 3.14Å; G836-S1434 WeakPolarHBondContact O-CB 3.09Å; G836-S1434 PolarHBondContact O-N 3.32Å; G836-S1434 PolarHBondContact O-OG 2.76Å; G836-C1435 VanDerWaalsContact N-CB 3.28Å; G836-C1435 PolarHBondContact N-SG 3.37Å; G836-C1435 PolarHBondContact O-N 3.27Å | ||
| 837 | G | 29.3 | Very low | 45.7 | Very low | 36 Ų | 36 | 74.5 Ų | 74.5 | 37% | 0.371 | 43% | 0.431 | S | S | . | . | trans | -82.4 | 151.1 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | N835 D1432 S1434 | N835-G837 PolarHBondContact O-N 3.24Å; G837-D1432 WeakPolarHBondContact CA-OD1 3.27Å; G837-D1432 WeakPolarHBondContact CA-OD2 3.31Å; G837-S1434 PolarHBondContact N-OG 3.09Å; G837-S1434 WeakPolarHBondContact O-CB 3.07Å; G837-S1434 PolarHBondContact O-OG 3.18Å | ||
| 838 | S | 32.4 | Very low | 48.6 | Very low | 68 Ų | 68 | 71.4 Ų | 71.4 | 48% | 0.476 | 41% | 0.409 | S | S | . | . | trans | -79 | 125.1 | 171.3 | -164.7 | 0 | 0 | 0 | 0 | 108.2 | I840 D1432 | S838-I840 VanDerWaalsContact C-N 3.28Å; S838-I840 PolarHBondContact O-N 2.81Å; S838-D1432 PolarHBondContact N-OD1 3.04Å | ||
| 839 | R | 38.4 | Very low | 51.7 | Low | 142 Ų | 142 | 68.4 Ų | 68.4 | 54% | 0.536 | 39% | 0.392 | S | S | . | . | trans | -68.3 | 95.3 | 167 | -106.9 | -174.9 | 165.7 | -155.2 | -11.3 | 107 | D822 E841 | D822-R839 IonicContact OD1-NH2 2.72Å; D822-R839 PolarHBondContact OD1-NH2 3.47Å; R839-E841 PolarHBondContact O-N 3.27Å | ||
| 840 | I | 41.3 | Very low | 54.4 | Low | 90 Ų | 90 | 63.6 Ų | 63.6 | 46% | 0.462 | 37% | 0.366 | S | S | . | . | trans | -64.9 | 101.5 | 172 | -48.7 | -179.7 | 0 | 0 | 0 | 106.6 | S838 C842 | S838-I840 VanDerWaalsContact C-N 3.28Å; S838-I840 PolarHBondContact O-N 2.81Å; I840-C842 PolarHBondContact O-N 3.33Å; I840-C842 PolarHBondContact O-SG 2.98Å | ||
| 841 | E | 51.7 | Low | 56.9 | Low | 42 Ų | 42 | 61.1 Ų | 61.1 | 20% | 0.196 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.2 | 128.7 | 173 | -63.6 | 173.4 | 145.4 | 0 | 0 | 107.6 | P818 F820 R839 I878 F880 | P818-E841 HydrophobicContact CB-CG 4.33Å; F820-E841 HydrophobicContact CD1-CG 4.12Å; F820-E841 HydrophobicContact CE1-CG 4.11Å; F820-E841 WeakPolarHBondContact CE1-OE1 3.13Å; R839-E841 PolarHBondContact O-N 3.27Å; E841-I878 CarbonylContact O-C 3.39Å; E841-I878 VanDerWaalsContact O-O 3.09Å; E841-F880 WeakPolarHBondContact OE2-CB 3.36Å; E841-F880 PolarHBondContact OE2-N 3.02Å |
| 842 | C | 57.5 | Low | 59.4 | Low | 35 Ų | 35 | 57.7 Ų | 57.7 | 24% | 0.236 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 77.8 | -167.7 | -69.6 | 0 | 0 | 0 | 0 | 109.8 | V819 S821 I840 | V819-C842 WeakPolarHBondContact CB-O 3.13Å; V819-C842 WeakPolarHBondContact CG1-O 3.25Å; V819-C842 PolarHBondContact O-N 3.42Å; S821-C842 VanDerWaalsContact OG-CB 3.32Å; S821-C842 WeakPolarHBondContact OG-CB 3.49Å; S821-C842 PolarHBondContact OG-SG 2.88Å; S821-C842 VanDerWaalsContact OG-SG 3.39Å; I840-C842 PolarHBondContact O-N 3.33Å; I840-C842 PolarHBondContact O-SG 2.98Å |
| 843 | G | 74.9 | Confident | 62.1 | Low | 5 Ų | 5 | 54 Ų | 54 | 5% | 0.052 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 103.8 | 176.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115 | V819 L875 | V819-G843 WeakPolarHBondContact CB-O 3.23Å; V819-G843 PolarHBondContact N-O 2.92Å; G843-L875 PolarHBondContact N-O 3.18Å; G843-L875 VanDerWaalsContact N-O 3.14Å |
| 844 | L | 90.7 | Very high | 64.7 | Low | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 135.9 | -177.2 | -54.8 | 172.2 | 0 | 0 | 0 | 109 | I816 R866 I867 I870 L875 F880 F887 | I816-L844 HydrophobicContact CB-CB 4.38Å; I816-L844 HydrophobicContact CD1-CD1 3.86Å; I816-L844 HydrophobicContact CD1-CD2 4.16Å; I816-L844 HydrophobicContact CD1-CG 4.47Å; I816-L844 HydrophobicContact CG2-CB 4.33Å; L844-R866 CarbonylContact O-C 3.58Å; L844-R866 WeakPolarHBondContact O-CA 3.24Å; L844-I867 HydrophobicContact CB-CB 4.32Å; L844-I867 HydrophobicContact CB-CD1 4.5Å; L844-I867 PolarHBondContact N-O 2.96Å; L844-I867 PolarHBondContact O-N 3.46Å; L844-I870 HydrophobicContact CD1-CD1 4.1Å; L844-L875 HydrophobicContact CD1-CD1 3.98Å; L844-L875 HydrophobicContact CG-CD1 3.99Å; L844-F880 HydrophobicContact CD2-CD2 3.57Å; L844-F880 HydrophobicContact CD2-CE2 3.78Å; L844-F887 HydrophobicContact CD1-CB 4.29Å |
| 845 | E | 92.2 | Very high | 67.7 | Low | 18 Ų | 18 | 42.8 Ų | 42.8 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.7 | 173.6 | -160.9 | 179.9 | 121 | 0 | 0 | 110.2 | I816 K817 V819 H847 D865 R866 Y906 | I816-E845 CarbonylContact C-O 3.08Å; I816-E845 WeakPolarHBondContact CA-O 3.21Å; K817-E845 WeakPolarHBondContact CE-OE1 3.23Å; K817-E845 HydrophobicContact CG-CB 3.89Å; K817-E845 PolarHBondContact N-O 2.83Å; K817-E845 IonicContact NZ-OE1 3.25Å; K817-E845 PolarHBondContact NZ-OE1 2.87Å; K817-E845 IonicContact NZ-OE2 2.75Å; K817-E845 PolarHBondContact NZ-OE2 3.11Å; K817-E845 PolarHBondContact O-N 2.7Å; V819-E845 HydrophobicContact CG2-CB 3.83Å; E845-H847 PolarHBondContact O-N 2.76Å; E845-D865 CarbonylContact C-O 3.33Å; E845-D865 WeakPolarHBondContact CA-O 3.17Å; E845-D865 WeakPolarHBondContact CG-O 3.35Å; E845-R866 HydrophobicContact CB-CG 4.27Å; E845-R866 HydrophobicContact CG-CG 3.81Å; E845-R866 IonicContact OE2-NE 3.48Å; E845-R866 PolarHBondContact OE2-NE 2.97Å; E845-Y906 PolarHBondContact OE2-OH 3.37Å |
| 846 | V | 92.6 | Very high | 70.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 100.2 | 176.8 | -179.8 | 0 | 0 | 0 | 0 | 108.6 | I814 I849 L861 S862 G864 D865 I867 | I814-V846 HydrophobicContact CB-CG1 4.5Å; I814-V846 HydrophobicContact CD1-CG2 4.42Å; I814-V846 HydrophobicContact CG2-CG1 4.48Å; V846-I849 HydrophobicContact CG1-CD1 4.21Å; V846-I849 HydrophobicContact CG1-CG1 3.73Å; V846-L861 HydrophobicContact CG2-CB 4.42Å; V846-L861 HydrophobicContact CG2-CD1 4.23Å; V846-L861 HydrophobicContact CG2-CD2 4.48Å; V846-S862 WeakPolarHBondContact CB-O 3.37Å; V846-S862 WeakPolarHBondContact CG1-O 3.2Å; V846-G864 PolarHBondContact O-N 3.15Å; V846-D865 HydrophobicContact CB-CB 4.43Å; V846-D865 HydrophobicContact CG2-CB 4.17Å; V846-D865 PolarHBondContact N-O 3.06Å; V846-I867 HydrophobicContact CG2-CG1 4.47Å |
| 847 | H | 91.3 | Very high | 73.1 | Confident | 16 Ų | 16 | 45.7 Ų | 45.7 | 7% | 0.074 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | -38.6 | -169.9 | 177 | 56.6 | 0 | 0 | 0 | 113.2 | Q815 K817 E845 V863 Q1860 | Q815-H847 WeakPolarHBondContact O-CA 3.37Å; Q815-H847 WeakPolarHBondContact O-CB 3.32Å; Q815-H847 PolarHBondContact O-N 3.37Å; K817-H847 HydrophobicContact CB-CB 3.89Å; K817-H847 HydrophobicContact CD-CB 4.17Å; K817-H847 HydrophobicContact CG-CB 3.91Å; E845-H847 PolarHBondContact O-N 2.76Å; H847-V863 WeakPolarHBondContact O-CG1 3.44Å; H847-Q1860 VanDerWaalsContact NE2-CA 3.3Å; H847-Q1860 WeakPolarHBondContact NE2-CA 3.4Å; H847-Q1860 WeakPolarHBondContact NE2-CG 3.27Å |
| 848 | C | 90.2 | Very high | 75.6 | Confident | 18 Ų | 18 | 47.8 Ų | 47.8 | 12% | 0.122 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 159.7 | 163.7 | 90.3 | 0 | 0 | 0 | 0 | 109.9 | I814 Q815 | I814-C848 WeakPolarHBondContact CA-O 3.41Å; Q815-C848 VanDerWaalsContact CG-SG 3.52Å; Q815-C848 PolarHBondContact N-O 2.86Å; Q815-C848 PolarHBondContact O-N 3.36Å |
| 849 | I | 90.6 | Very high | 78.1 | Confident | 40 Ų | 40 | 52.3 Ų | 52.3 | 21% | 0.205 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.6 | 168.6 | -58.2 | 170 | 0 | 0 | 0 | 105.8 | I814 V846 V855 A856 L861 V863 | I814-I849 HydrophobicContact CG2-CG1 4.17Å; I814-I849 HydrophobicContact CG2-CG2 4.46Å; V846-I849 HydrophobicContact CG1-CD1 4.21Å; V846-I849 HydrophobicContact CG1-CG1 3.73Å; I849-V855 HydrophobicContact CD1-CG1 4.12Å; I849-V855 HydrophobicContact CG1-CG1 4.35Å; I849-V855 HydrophobicContact CG2-CB 4.37Å; I849-V855 HydrophobicContact CG2-CG1 4.03Å; I849-A856 HydrophobicContact CG2-CB 3.79Å; I849-L861 WeakPolarHBondContact CD1-O 3.46Å; I849-V863 HydrophobicContact CB-CG2 4.43Å; I849-V863 HydrophobicContact CD1-CG2 4.13Å; I849-V863 HydrophobicContact CG1-CG2 3.95Å |
| 850 | L | 87.1 | Confident | 80.3 | Confident | 64 Ų | 64 | 46.8 Ų | 46.8 | 34% | 0.335 | 24% | 0.244 | S | C | . | . | trans | -72.8 | 129.7 | -179.2 | -62.5 | 177.9 | 0 | 0 | 0 | 109.1 | G813 N852 G853 A856 | G813-L850 WeakPolarHBondContact O-CB 3.4Å; G813-L850 PolarHBondContact O-N 3.46Å; L850-N852 PolarHBondContact O-N 2.98Å; L850-G853 PolarHBondContact O-N 3.32Å; L850-A856 WeakPolarHBondContact O-CB 3.49Å | ||
| 851 | P | 79.5 | Confident | 82.7 | Confident | 85 Ų | 85 | 42.7 Ų | 42.7 | 55% | 0.552 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 141.2 | 171.3 | -25.1 | 34.6 | 0 | 0 | 0 | 111 | G853 | P851-G853 PolarHBondContact O-N 3.15Š|
| 852 | N | 76.5 | Confident | 84.5 | Confident | 61 Ų | 61 | 43.9 Ų | 43.9 | 33% | 0.326 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | -15.6 | -172.9 | -47.9 | -9 | 0 | 0 | 0 | 116 | L850 R857 | L850-N852 PolarHBondContact O-N 2.98Å; N852-R857 WeakPolarHBondContact O-CD 3.48Å; N852-R857 WeakPolarHBondContact O-CG 3.34Å; N852-R857 PolarHBondContact O-NE 2.95Å |
| 853 | G | 81 | Confident | 86 | Confident | 16 Ų | 16 | 46.1 Ų | 46.1 | 17% | 0.165 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -55 | 155 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L850 P851 V855 A856 R857 | L850-G853 PolarHBondContact O-N 3.32Å; P851-G853 PolarHBondContact O-N 3.15Å; G853-V855 VanDerWaalsContact C-N 3.35Å; G853-V855 PolarHBondContact O-N 3.26Å; G853-A856 WeakPolarHBondContact O-CA 3.04Å; G853-A856 VanDerWaalsContact O-CB 3.25Å; G853-A856 WeakPolarHBondContact O-CB 3.34Å; G853-A856 PolarHBondContact O-N 2.96Å; G853-R857 PolarHBondContact O-N 3.07Å |
| 854 | R | 82.9 | Confident | 86.7 | Confident | 17 Ų | 17 | 46 Ų | 46 | 6% | 0.064 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -55.6 | -45.6 | -170.8 | -179 | 168.7 | 171.1 | -174.2 | -5.8 | 113.5 | I804 E810 L812 A856 R857 E858 | I804-R854 PolarHBondContact O-NH1 2.86Å; I804-R854 PolarHBondContact O-NH2 2.74Å; E810-R854 WeakPolarHBondContact OE1-CD 3.14Å; E810-R854 IonicContact OE2-CZ 2.92Å; E810-R854 IonicContact OE2-NH1 3.58Å; E810-R854 PolarHBondContact OE2-NH1 2.84Å; L812-R854 PolarHBondContact O-N 2.54Å; R854-A856 VanDerWaalsContact C-N 3.25Å; R854-A856 PolarHBondContact O-N 3.29Å; R854-R857 WeakPolarHBondContact O-CA 3.3Å; R854-R857 WeakPolarHBondContact O-CB 3.39Å; R854-R857 PolarHBondContact O-N 2.96Å; R854-E858 HydrophobicContact CG-CG 4.4Å; R854-E858 IonicContact CZ-OE1 3.15Å; R854-E858 VanDerWaalsContact CZ-OE1 3.26Å; R854-E858 IonicContact NE-OE1 3.05Å; R854-E858 PolarHBondContact NE-OE1 2.88Å; R854-E858 IonicContact NE-OE2 3.15Å; R854-E858 IonicContact NH2-OE1 3.65Å; R854-E858 PolarHBondContact NH2-OE1 2.85Å; R854-E858 IonicContact NH2-OE2 3.88Å; R854-E858 PolarHBondContact O-N 2.85Å |
| 855 | V | 88.2 | Confident | 86.8 | Confident | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -62.8 | -28.5 | 174.4 | 168 | 0 | 0 | 0 | 0 | 112.8 | L812 I814 I849 G853 Q859 L861 | L812-V855 HydrophobicContact CB-CG2 4.01Å; L812-V855 WeakPolarHBondContact O-CB 3.44Å; L812-V855 WeakPolarHBondContact O-CG2 3.37Å; L812-V855 PolarHBondContact O-N 3.42Å; I814-V855 HydrophobicContact CG2-CB 3.67Å; I814-V855 HydrophobicContact CG2-CG1 3.66Å; I814-V855 HydrophobicContact CG2-CG2 3.79Å; I849-V855 HydrophobicContact CD1-CG1 4.12Å; I849-V855 HydrophobicContact CG1-CG1 4.35Å; I849-V855 HydrophobicContact CG2-CB 4.37Å; I849-V855 HydrophobicContact CG2-CG1 4.03Å; G853-V855 VanDerWaalsContact C-N 3.35Å; G853-V855 PolarHBondContact O-N 3.26Å; V855-Q859 WeakPolarHBondContact O-CA 3.39Å; V855-Q859 PolarHBondContact O-N 3.18Å; V855-L861 HydrophobicContact CG1-CB 3.69Å; V855-L861 HydrophobicContact CG1-CD1 4.08Å; V855-L861 HydrophobicContact CG1-CG 4.22Å; V855-L861 HydrophobicContact CG2-CD1 4.13Å |
| 856 | A | 86 | Confident | 86.8 | Confident | 37 Ų | 37 | 48.6 Ų | 48.6 | 31% | 0.306 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.4 | -29.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113 | I849 L850 G853 R854 | I849-A856 HydrophobicContact CG2-CB 3.79Å; L850-A856 WeakPolarHBondContact O-CB 3.49Å; G853-A856 WeakPolarHBondContact O-CA 3.04Å; G853-A856 VanDerWaalsContact O-CB 3.25Å; G853-A856 WeakPolarHBondContact O-CB 3.34Å; G853-A856 PolarHBondContact O-N 2.96Å; R854-A856 VanDerWaalsContact C-N 3.25Å; R854-A856 PolarHBondContact O-N 3.29Å |
| 857 | R | 80.2 | Confident | 86.8 | Confident | 167 Ų | 167 | 48.6 Ų | 48.6 | 63% | 0.63 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -76 | -41.5 | 174.7 | -64 | -174.1 | -72.1 | 161.1 | 3.3 | 111.4 | E810 N852 G853 R854 | E810-R857 IonicContact OE1-NH2 3.26Å; N852-R857 WeakPolarHBondContact O-CD 3.48Å; N852-R857 WeakPolarHBondContact O-CG 3.34Å; N852-R857 PolarHBondContact O-NE 2.95Å; G853-R857 PolarHBondContact O-N 3.07Å; R854-R857 WeakPolarHBondContact O-CA 3.3Å; R854-R857 WeakPolarHBondContact O-CB 3.39Å; R854-R857 PolarHBondContact O-N 2.96Å |
| 858 | E | 82.1 | Confident | 86.7 | Confident | 80 Ų | 80 | 50.6 Ų | 50.6 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -84.8 | -20 | -178.7 | -67.7 | 176.1 | 169.1 | 0 | 0 | 113.9 | R854 C860 | R854-E858 HydrophobicContact CG-CG 4.4Å; R854-E858 IonicContact CZ-OE1 3.15Å; R854-E858 VanDerWaalsContact CZ-OE1 3.26Å; R854-E858 IonicContact NE-OE1 3.05Å; R854-E858 PolarHBondContact NE-OE1 2.88Å; R854-E858 IonicContact NE-OE2 3.15Å; R854-E858 IonicContact NH2-OE1 3.65Å; R854-E858 PolarHBondContact NH2-OE1 2.85Å; R854-E858 IonicContact NH2-OE2 3.88Å; R854-E858 PolarHBondContact O-N 2.85Å; E858-C860 HydrophobicContact CB-CB 4.41Å; E858-C860 PolarHBondContact O-N 3.29Å; E858-C860 VanDerWaalsContact O-N 3.17Å |
| 859 | Q | 84.3 | Confident | 86.8 | Confident | 164 Ų | 164 | 50.1 Ų | 50.1 | 77% | 0.766 | 27% | 0.265 | S | S | * | . | trans | 56.9 | 23.4 | -178.4 | -55.1 | -175.8 | 20.7 | 0 | 0 | 114.7 | V855 | V855-Q859 WeakPolarHBondContact O-CA 3.39Å; V855-Q859 PolarHBondContact O-N 3.18Å | ||
| 860 | C | 85.8 | Confident | 86.9 | Confident | 25 Ų | 25 | 48.2 Ų | 48.2 | 17% | 0.169 | 26% | 0.255 | C | S | . | . | trans | -77.2 | -21 | -173.5 | 52.9 | 0 | 0 | 0 | 0 | 114.8 | I801 L803 E858 | I801-C860 WeakPolarHBondContact CD1-O 3.24Å; I801-C860 HydrophobicContact CG2-CB 4.08Å; L803-C860 HydrophobicContact CD2-CB 4.25Å; E858-C860 HydrophobicContact CB-CB 4.41Å; E858-C860 PolarHBondContact O-N 3.29Å; E858-C860 VanDerWaalsContact O-N 3.17Å | ||
| 861 | L | 91.1 | Very high | 87.2 | Confident | 5 Ų | 5 | 48 Ų | 48 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | trans | -127.2 | 155.7 | 173.6 | -61.7 | 162.8 | 0 | 0 | 0 | 110.2 | I801 I814 V846 I849 V855 L898 V900 | I801-L861 HydrophobicContact CD1-CD2 3.43Å; I801-L861 VanDerWaalsContact CD1-CD2 3.43Å; I801-L861 HydrophobicContact CD1-CG 4.22Å; I814-L861 HydrophobicContact CD1-CD1 4.01Å; I814-L861 HydrophobicContact CG2-CD1 4.48Å; V846-L861 HydrophobicContact CG2-CB 4.42Å; V846-L861 HydrophobicContact CG2-CD1 4.23Å; V846-L861 HydrophobicContact CG2-CD2 4.48Å; I849-L861 WeakPolarHBondContact CD1-O 3.46Å; V855-L861 HydrophobicContact CG1-CB 3.69Å; V855-L861 HydrophobicContact CG1-CD1 4.08Å; V855-L861 HydrophobicContact CG1-CG 4.22Å; V855-L861 HydrophobicContact CG2-CD1 4.13Å; L861-L898 HydrophobicContact CD1-CD1 4.18Å; L861-V900 HydrophobicContact CD2-CB 4.47Å; L861-V900 HydrophobicContact CD2-CG1 3.98Å; L861-V900 HydrophobicContact CD2-CG2 3.95Å | ||
| 862 | S | 89.9 | Confident | 87.6 | Confident | 67 Ų | 67 | 47 Ų | 47 | 47% | 0.469 | 26% | 0.259 | S | S | . | . | trans | -116.8 | 156.9 | 172.6 | -73.9 | 0 | 0 | 0 | 0 | 112.4 | V846 G864 D865 | V846-S862 WeakPolarHBondContact CB-O 3.37Å; V846-S862 WeakPolarHBondContact CG1-O 3.2Å; S862-G864 PolarHBondContact O-N 2.84Å; S862-D865 PolarHBondContact N-OD2 3.39Å; S862-D865 WeakPolarHBondContact O-CB 3.27Å; S862-D865 VanDerWaalsContact O-CG 3.25Å; S862-D865 PolarHBondContact O-N 3.31Å; S862-D865 VanDerWaalsContact O-N 3.15Å | ||
| 863 | V | 89 | Confident | 88.3 | Confident | 81 Ų | 81 | 47.9 Ų | 47.9 | 49% | 0.491 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | 122.8 | 173.5 | 177 | 0 | 0 | 0 | 0 | 109.4 | H847 I849 | H847-V863 WeakPolarHBondContact O-CG1 3.44Å; I849-V863 HydrophobicContact CB-CG2 4.43Å; I849-V863 HydrophobicContact CD1-CG2 4.13Å; I849-V863 HydrophobicContact CG1-CG2 3.95Å |
| 864 | G | 89 | Confident | 88.7 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 100.1 | 0.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | V846 S862 H903 Y906 | V846-G864 PolarHBondContact O-N 3.15Å; S862-G864 PolarHBondContact O-N 2.84Å; G864-H903 WeakPolarHBondContact CA-ND1 3.17Å; G864-H903 WeakPolarHBondContact O-CB 3.31Å; G864-H903 PolarHBondContact O-ND1 3.37Å; G864-Y906 PolarHBondContact O-OH 2.84Å |
| 865 | D | 93.5 | Very high | 89 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 5% | 0.053 | 27% | 0.273 | C | S | . | . | trans | -72.3 | 137.4 | 174.9 | -69.7 | -1.4 | 0 | 0 | 0 | 111 | E845 V846 S862 V900 P902 H903 | E845-D865 CarbonylContact C-O 3.33Å; E845-D865 WeakPolarHBondContact CA-O 3.17Å; E845-D865 WeakPolarHBondContact CG-O 3.35Å; V846-D865 HydrophobicContact CB-CB 4.43Å; V846-D865 HydrophobicContact CG2-CB 4.17Å; V846-D865 PolarHBondContact N-O 3.06Å; S862-D865 PolarHBondContact N-OD2 3.39Å; S862-D865 WeakPolarHBondContact O-CB 3.27Å; S862-D865 VanDerWaalsContact O-CG 3.25Å; S862-D865 PolarHBondContact O-N 3.31Å; S862-D865 VanDerWaalsContact O-N 3.15Å; D865-V900 HydrophobicContact CB-CG1 3.68Å; D865-P902 WeakPolarHBondContact OD1-CA 3.29Å; D865-H903 PolarHBondContact OD1-N 3.09Å | ||
| 866 | R | 91.3 | Very high | 88.6 | Confident | 64 Ų | 64 | 53.2 Ų | 53.2 | 24% | 0.242 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 112.7 | -178.7 | -68.9 | 178.8 | 174 | -176.7 | -0.9 | 111.3 | V819 L844 E845 L868 V900 L901 Y906 | V819-R866 HydrophobicContact CG2-CB 4.46Å; V819-R866 HydrophobicContact CG2-CG 3.98Å; L844-R866 CarbonylContact O-C 3.58Å; L844-R866 WeakPolarHBondContact O-CA 3.24Å; E845-R866 HydrophobicContact CB-CG 4.27Å; E845-R866 HydrophobicContact CG-CG 3.81Å; E845-R866 IonicContact OE2-NE 3.48Å; E845-R866 PolarHBondContact OE2-NE 2.97Å; R866-L868 PolarHBondContact O-N 2.96Å; R866-V900 CarbonylContact O-C 3.52Å; R866-V900 WeakPolarHBondContact O-CA 3.33Å; R866-L901 HydrophobicContact CB-CB 4.3Å; R866-L901 PolarHBondContact N-O 2.87Å; R866-L901 PolarHBondContact O-N 2.84Å; R866-Y906 HydrophobicContact CG-CE1 4.02Å; R866-Y906 PolarHBondContact NE-OH 3.05Å |
| 867 | I | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 121.3 | 172.2 | -46.2 | 177.6 | 0 | 0 | 0 | 108.4 | I816 L844 V846 I870 L875 F887 L898 V900 | I816-I867 HydrophobicContact CG2-CD1 4.48Å; L844-I867 HydrophobicContact CB-CB 4.32Å; L844-I867 HydrophobicContact CB-CD1 4.5Å; L844-I867 PolarHBondContact N-O 2.96Å; L844-I867 PolarHBondContact O-N 3.46Å; V846-I867 HydrophobicContact CG2-CG1 4.47Å; I867-I870 HydrophobicContact CG2-CG1 3.94Å; I867-L875 HydrophobicContact CB-CD1 4.16Å; I867-L875 HydrophobicContact CG2-CD1 3.83Å; I867-L875 WeakPolarHBondContact O-CD1 3.16Å; I867-F887 HydrophobicContact CD1-CD2 4.33Å; I867-F887 HydrophobicContact CD1-CE2 4.03Å; I867-L898 HydrophobicContact CG2-CB 4.44Å; I867-L898 HydrophobicContact CG2-CD2 4.21Å; I867-V900 HydrophobicContact CG1-CG2 4.27Å; I867-V900 HydrophobicContact CG2-CG2 4.43Å |
| 868 | L | 89.2 | Confident | 88.6 | Confident | 58 Ų | 58 | 47.2 Ų | 47.2 | 30% | 0.304 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | -30.5 | -178.9 | -58.1 | -176.9 | 0 | 0 | 0 | 112.5 | I798 R866 L875 R899 L901 | I798-L868 HydrophobicContact CD1-CD1 3.64Å; I798-L868 HydrophobicContact CG1-CD1 3.79Å; I798-L868 HydrophobicContact CG2-CD1 4.14Å; R866-L868 PolarHBondContact O-N 2.96Å; L868-L875 PolarHBondContact O-N 2.8Å; L868-R899 PolarHBondContact N-O 3.25Å; L868-L901 HydrophobicContact CD1-CB 4.08Å; L868-L901 HydrophobicContact CG-CB 4.33Å |
| 869 | S | 91.8 | Very high | 88.7 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 156.5 | 172.1 | 79 | 0 | 0 | 0 | 0 | 112.2 | I873 L898 R899 | S869-I873 CarbonylContact C-O 3.58Å; S869-I873 WeakPolarHBondContact CA-O 3.46Å; S869-I873 WeakPolarHBondContact CB-O 3.48Å; S869-L898 WeakPolarHBondContact O-CA 3.44Å; S869-R899 PolarHBondContact N-O 3.06Å; S869-R899 PolarHBondContact O-N 2.83Å; S869-R899 VanDerWaalsContact OG-CB 3.25Å; S869-R899 WeakPolarHBondContact OG-CB 3.48Å; S869-R899 WeakPolarHBondContact OG-CD 3.36Å; S869-R899 WeakPolarHBondContact OG-CG 3.47Å |
| 870 | I | 94 | Very high | 88.9 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 125.5 | 175.9 | -56.3 | 167 | 0 | 0 | 0 | 107.9 | L844 I867 G872 I873 L875 I886 F887 A890 I897 L898 | L844-I870 HydrophobicContact CD1-CD1 4.1Å; I867-I870 HydrophobicContact CG2-CG1 3.94Å; I870-G872 PolarHBondContact O-N 2.89Å; I870-G872 VanDerWaalsContact O-N 3.07Å; I870-I873 PolarHBondContact N-O 3.16Å; I870-I873 WeakPolarHBondContact O-CB 3.34Å; I870-I873 PolarHBondContact O-N 2.82Å; I870-L875 HydrophobicContact CD1-CD1 3.92Å; I870-L875 HydrophobicContact CD1-CD2 4.08Å; I870-L875 HydrophobicContact CD1-CG 4.44Å; I870-L875 HydrophobicContact CG1-CD1 3.97Å; I870-L875 HydrophobicContact CG1-CG 4.48Å; I870-I886 HydrophobicContact CB-CG2 4.02Å; I870-I886 HydrophobicContact CD1-CG2 4.11Å; I870-I886 HydrophobicContact CG2-CG2 4.3Å; I870-F887 HydrophobicContact CD1-CB 3.67Å; I870-F887 HydrophobicContact CD1-CD2 3.72Å; I870-F887 HydrophobicContact CD1-CG 4.19Å; I870-F887 HydrophobicContact CG1-CD2 4.46Å; I870-A890 HydrophobicContact CG2-CB 3.49Å; I870-A890 VanDerWaalsContact CG2-CB 3.49Å; I870-I897 CarbonylContact C-O 3.57Å; I870-I897 WeakPolarHBondContact CA-O 3.33Å; I870-L898 HydrophobicContact CB-CD2 4.35Å; I870-L898 HydrophobicContact CG1-CD2 3.88Å; I870-L898 HydrophobicContact CG2-CD2 4.12Å |
| 871 | N | 93.2 | Very high | 89 | Confident | 59 Ų | 59 | 42.9 Ų | 42.9 | 32% | 0.316 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.3 | 37.8 | -179.3 | -67.9 | 15.3 | 0 | 0 | 0 | 113.1 | I873 E895 I896 I897 | N871-I873 VanDerWaalsContact C-N 3.32Å; N871-I873 PolarHBondContact O-N 3.26Å; N871-E895 PolarHBondContact ND2-O 2.85Å; N871-I896 WeakPolarHBondContact OD1-CA 3.43Å; N871-I897 PolarHBondContact N-O 2.8Å; N871-I897 PolarHBondContact OD1-N 2.81Å |
| 872 | G | 88.4 | Confident | 88.8 | Confident | 63 Ų | 63 | 46.8 Ų | 46.8 | 65% | 0.649 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.5 | -20.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | I870 S874 | I870-G872 PolarHBondContact O-N 2.89Å; I870-G872 VanDerWaalsContact O-N 3.07Å; G872-S874 PolarHBondContact O-N 2.85Å |
| 873 | I | 90.5 | Very high | 88.9 | Confident | 81 Ų | 81 | 43.6 Ų | 43.6 | 42% | 0.415 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 113.1 | 180 | -53.3 | 171.6 | 0 | 0 | 0 | 109.6 | S869 I870 N871 I878 I886 | S869-I873 CarbonylContact C-O 3.58Å; S869-I873 WeakPolarHBondContact CA-O 3.46Å; S869-I873 WeakPolarHBondContact CB-O 3.48Å; I870-I873 PolarHBondContact N-O 3.16Å; I870-I873 WeakPolarHBondContact O-CB 3.34Å; I870-I873 PolarHBondContact O-N 2.82Å; N871-I873 VanDerWaalsContact C-N 3.32Å; N871-I873 PolarHBondContact O-N 3.26Å; I873-I878 HydrophobicContact CG2-CD1 4.06Å; I873-I886 HydrophobicContact CB-CG2 4.41Å; I873-I886 HydrophobicContact CD1-CG2 4.03Å; I873-I886 HydrophobicContact CG2-CD1 4Å |
| 874 | S | 89.8 | Confident | 89 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 43% | 0.427 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 132.2 | 176.8 | -171.4 | 0 | 0 | 0 | 0 | 111.3 | G872 S876 I878 | G872-S874 PolarHBondContact O-N 2.85Å; S874-S876 VanDerWaalsContact C-N 3.31Å; S874-S876 PolarHBondContact OG-N 3.04Å; S874-S876 PolarHBondContact OG-OG 3.11Å; S874-I878 WeakPolarHBondContact O-CD1 3.22Å |
| 875 | L | 89 | Confident | 89.1 | Confident | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 27% | 0.266 | C | S | . | . | trans | -88.5 | 2 | 178.3 | -59.7 | 168 | 0 | 0 | 0 | 113 | G843 L844 I867 L868 I870 G877 I878 I886 | G843-L875 PolarHBondContact N-O 3.18Å; G843-L875 VanDerWaalsContact N-O 3.14Å; L844-L875 HydrophobicContact CD1-CD1 3.98Å; L844-L875 HydrophobicContact CG-CD1 3.99Å; I867-L875 HydrophobicContact CB-CD1 4.16Å; I867-L875 HydrophobicContact CG2-CD1 3.83Å; I867-L875 WeakPolarHBondContact O-CD1 3.16Å; L868-L875 PolarHBondContact O-N 2.8Å; I870-L875 HydrophobicContact CD1-CD1 3.92Å; I870-L875 HydrophobicContact CD1-CD2 4.08Å; I870-L875 HydrophobicContact CD1-CG 4.44Å; I870-L875 HydrophobicContact CG1-CD1 3.97Å; I870-L875 HydrophobicContact CG1-CG 4.48Å; L875-G877 PolarHBondContact O-N 3.45Å; L875-I878 PolarHBondContact O-N 3.12Å; L875-I886 HydrophobicContact CD2-CD1 4.49Å | ||
| 876 | S | 79.8 | Confident | 89.1 | Confident | 83 Ų | 83 | 45.9 Ų | 45.9 | 58% | 0.58 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.3 | 114.8 | 172.8 | 55.2 | 0 | 0 | 0 | 0 | 110.8 | S874 I878 | S874-S876 VanDerWaalsContact C-N 3.31Å; S874-S876 PolarHBondContact OG-N 3.04Å; S874-S876 PolarHBondContact OG-OG 3.11Å; S876-I878 VanDerWaalsContact C-N 3.29Å; S876-I878 PolarHBondContact O-N 3.38Å |
| 877 | G | 79.8 | Confident | 89.2 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 44% | 0.443 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.5 | 2.6 | -178 | 0 | 0 | 0 | 0 | 0 | 115.5 | L875 | L875-G877 PolarHBondContact O-N 3.45Š|
| 878 | I | 85 | Confident | 89 | Confident | 35 Ų | 35 | 48.8 Ų | 48.8 | 18% | 0.179 | 28% | 0.282 | C | S | . | . | trans | -87.5 | 122.8 | 175.6 | -59.2 | -166.7 | 0 | 0 | 0 | 109.5 | E841 I873 S874 L875 S876 K882 I886 | E841-I878 CarbonylContact O-C 3.39Å; E841-I878 VanDerWaalsContact O-O 3.09Å; I873-I878 HydrophobicContact CG2-CD1 4.06Å; S874-I878 WeakPolarHBondContact O-CD1 3.22Å; L875-I878 PolarHBondContact O-N 3.12Å; S876-I878 VanDerWaalsContact C-N 3.29Å; S876-I878 PolarHBondContact O-N 3.38Å; I878-K882 HydrophobicContact CG2-CB 3.77Å; I878-K882 HydrophobicContact CG2-CG 3.95Å; I878-I886 HydrophobicContact CD1-CD1 3.69Å; I878-I886 HydrophobicContact CG2-CD1 4.1Å | ||
| 879 | P | 84.7 | Confident | 89.1 | Confident | 67 Ų | 67 | 52 Ų | 52 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | trans | -63.2 | 154.8 | -179.2 | 27.4 | -35.5 | 0 | 0 | 0 | 112 | E881 K882 G883 | P879-E881 VanDerWaalsContact C-N 3.3Å; P879-E881 PolarHBondContact O-N 3.1Å; P879-K882 HydrophobicContact CG-CB 4.14Å; P879-K882 PolarHBondContact O-N 3.09Å; P879-G883 PolarHBondContact O-N 3.05Å | ||
| 880 | F | 88 | Confident | 89.1 | Confident | 29 Ų | 29 | 51.9 Ų | 51.9 | 13% | 0.127 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.8 | -37.7 | -169.2 | 177.7 | -113.4 | 0 | 0 | 0 | 113.8 | I816 K817 P818 E841 L844 R884 V1862 | I816-F880 HydrophobicContact CG1-CE2 4.38Å; K817-F880 VanDerWaalsContact C-CE2 3.49Å; P818-F880 HydrophobicContact CB-CB 4.02Å; P818-F880 HydrophobicContact CB-CD2 3.87Å; P818-F880 HydrophobicContact CB-CG 3.94Å; P818-F880 HydrophobicContact CG-CD2 4.37Å; P818-F880 HydrophobicContact CG-CG 4.34Å; E841-F880 WeakPolarHBondContact OE2-CB 3.36Å; E841-F880 PolarHBondContact OE2-N 3.02Å; L844-F880 HydrophobicContact CD2-CD2 3.57Å; L844-F880 HydrophobicContact CD2-CE2 3.78Å; F880-R884 VanDerWaalsContact O-CB 3.25Å; F880-R884 WeakPolarHBondContact O-CB 3.29Å; F880-R884 PolarHBondContact O-N 3.34Å; F880-V1862 HydrophobicContact CE1-CG1 4.39Å |
| 881 | E | 88.2 | Confident | 88.9 | Confident | 82 Ų | 82 | 53 Ų | 53 | 38% | 0.383 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.6 | -54.3 | 173.4 | -69.2 | 87.1 | 170.7 | 0 | 0 | 111.9 | P879 G883 R884 D885 | P879-E881 VanDerWaalsContact C-N 3.3Å; P879-E881 PolarHBondContact O-N 3.1Å; E881-G883 VanDerWaalsContact C-N 3.3Å; E881-G883 PolarHBondContact O-N 2.89Å; E881-R884 WeakPolarHBondContact O-CB 3.36Å; E881-R884 PolarHBondContact O-N 3.41Å; E881-D885 WeakPolarHBondContact O-CB 3.38Å; E881-D885 PolarHBondContact O-N 2.86Å |
| 882 | K | 87.6 | Confident | 88.7 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.6 | -33.1 | -178.5 | -170.7 | 66.4 | 174.9 | -179.8 | 0 | 111.8 | I878 P879 D885 I886 D1366 | I878-K882 HydrophobicContact CG2-CB 3.77Å; I878-K882 HydrophobicContact CG2-CG 3.95Å; P879-K882 HydrophobicContact CG-CB 4.14Å; P879-K882 PolarHBondContact O-N 3.09Å; K882-D885 PolarHBondContact O-N 3.27Å; K882-I886 HydrophobicContact CG-CD1 4.28Å; K882-I886 WeakPolarHBondContact O-CD1 3.09Å; K882-I886 VanDerWaalsContact O-CG1 3.27Å; K882-I886 WeakPolarHBondContact O-CG1 3.47Å; K882-I886 PolarHBondContact O-N 3.04Å; K882-D1366 IonicContact NZ-OD2 2.72Å; K882-D1366 PolarHBondContact NZ-OD2 3.18Å |
| 883 | G | 90.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.01 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66 | -42.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | P879 E881 D885 F887 | P879-G883 PolarHBondContact O-N 3.05Å; E881-G883 VanDerWaalsContact C-N 3.3Å; E881-G883 PolarHBondContact O-N 2.89Å; G883-D885 VanDerWaalsContact C-N 3.31Å; G883-F887 PolarHBondContact O-N 3.01Å; G883-F887 VanDerWaalsContact O-N 3.1Å |
| 884 | R | 91.6 | Very high | 88.4 | Confident | 73 Ų | 73 | 51.9 Ų | 51.9 | 28% | 0.275 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.5 | -40.3 | 170.1 | 175.7 | -155.2 | 69.5 | -156.1 | -3.6 | 111 | I816 F880 E881 F887 Q888 | I816-R884 HydrophobicContact CD1-CB 4.22Å; I816-R884 HydrophobicContact CD1-CG 4.27Å; F880-R884 VanDerWaalsContact O-CB 3.25Å; F880-R884 WeakPolarHBondContact O-CB 3.29Å; F880-R884 PolarHBondContact O-N 3.34Å; E881-R884 WeakPolarHBondContact O-CB 3.36Å; E881-R884 PolarHBondContact O-N 3.41Å; R884-F887 CarbonylContact O-C 3.23Å; R884-F887 WeakPolarHBondContact O-CA 3.48Å; R884-F887 WeakPolarHBondContact O-CB 3.5Å; R884-F887 PolarHBondContact O-N 2.86Å; R884-F887 VanDerWaalsContact O-N 3.17Å; R884-Q888 WeakPolarHBondContact O-CG 3.42Å; R884-Q888 PolarHBondContact O-N 3.33Å |
| 885 | D | 91.3 | Very high | 88.1 | Confident | 57 Ų | 57 | 51.9 Ų | 51.9 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -70.9 | -39.3 | -176 | -62.6 | -16.3 | 0 | 0 | 0 | 111.1 | E881 K882 G883 F887 Q888 E889 | E881-D885 WeakPolarHBondContact O-CB 3.38Å; E881-D885 PolarHBondContact O-N 2.86Å; K882-D885 PolarHBondContact O-N 3.27Å; G883-D885 VanDerWaalsContact C-N 3.31Å; D885-F887 VanDerWaalsContact C-N 3.29Å; D885-F887 PolarHBondContact O-N 2.98Å; D885-Q888 CarbonylContact O-C 3.55Å; D885-Q888 PolarHBondContact O-N 2.8Å; D885-Q888 VanDerWaalsContact O-N 3.11Å; D885-E889 WeakPolarHBondContact O-CB 3.44Å; D885-E889 PolarHBondContact O-N 2.91Å |
| 886 | I | 93.1 | Very high | 88.3 | Confident | 12 Ų | 12 | 52 Ų | 52 | 6% | 0.062 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59 | -39.7 | 167.8 | -68.2 | 158.3 | 0 | 0 | 0 | 111.2 | I870 I873 L875 I878 K882 E889 A890 | I870-I886 HydrophobicContact CB-CG2 4.02Å; I870-I886 HydrophobicContact CD1-CG2 4.11Å; I870-I886 HydrophobicContact CG2-CG2 4.3Å; I873-I886 HydrophobicContact CB-CG2 4.41Å; I873-I886 HydrophobicContact CD1-CG2 4.03Å; I873-I886 HydrophobicContact CG2-CD1 4Å; L875-I886 HydrophobicContact CD2-CD1 4.49Å; I878-I886 HydrophobicContact CD1-CD1 3.69Å; I878-I886 HydrophobicContact CG2-CD1 4.1Å; K882-I886 HydrophobicContact CG-CD1 4.28Å; K882-I886 WeakPolarHBondContact O-CD1 3.09Å; K882-I886 VanDerWaalsContact O-CG1 3.27Å; K882-I886 WeakPolarHBondContact O-CG1 3.47Å; K882-I886 PolarHBondContact O-N 3.04Å; I886-E889 PolarHBondContact O-N 3.21Å; I886-A890 WeakPolarHBondContact O-CB 3.48Å; I886-A890 PolarHBondContact O-N 2.96Å |
| 887 | F | 93.2 | Very high | 88.9 | Confident | 16 Ų | 16 | 50.2 Ų | 50.2 | 7% | 0.07 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 174.3 | -170.1 | -88.4 | 0 | 0 | 0 | 112 | L812 I814 L844 I867 I870 G883 R884 D885 L891 L898 | L812-F887 HydrophobicContact CD1-CZ 3.88Å; I814-F887 HydrophobicContact CD1-CE1 4.48Å; I814-F887 HydrophobicContact CD1-CE2 4.12Å; I814-F887 HydrophobicContact CD1-CZ 3.64Å; I814-F887 HydrophobicContact CG1-CZ 4.08Å; L844-F887 HydrophobicContact CD1-CB 4.29Å; I867-F887 HydrophobicContact CD1-CD2 4.33Å; I867-F887 HydrophobicContact CD1-CE2 4.03Å; I870-F887 HydrophobicContact CD1-CB 3.67Å; I870-F887 HydrophobicContact CD1-CD2 3.72Å; I870-F887 HydrophobicContact CD1-CG 4.19Å; I870-F887 HydrophobicContact CG1-CD2 4.46Å; G883-F887 PolarHBondContact O-N 3.01Å; G883-F887 VanDerWaalsContact O-N 3.1Å; R884-F887 CarbonylContact O-C 3.23Å; R884-F887 WeakPolarHBondContact O-CA 3.48Å; R884-F887 WeakPolarHBondContact O-CB 3.5Å; R884-F887 PolarHBondContact O-N 2.86Å; R884-F887 VanDerWaalsContact O-N 3.17Å; D885-F887 VanDerWaalsContact C-N 3.29Å; D885-F887 PolarHBondContact O-N 2.98Å; F887-L891 HydrophobicContact CD1-CD1 4.31Å; F887-L891 HydrophobicContact CD1-CG 4.43Å; F887-L891 HydrophobicContact CE1-CD1 4.18Å; F887-L891 HydrophobicContact CE1-CD2 4.3Å; F887-L891 HydrophobicContact CE1-CG 4.3Å; F887-L891 WeakPolarHBondContact O-CG 3.34Å; F887-L891 PolarHBondContact O-N 2.89Å; F887-L898 HydrophobicContact CE2-CD2 4.26Å |
| 888 | Q | 90.8 | Very high | 89.5 | Confident | 108 Ų | 108 | 48.2 Ų | 48.2 | 51% | 0.505 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -71.6 | -32.9 | 176.2 | -72.4 | -175.6 | -9.9 | 0 | 0 | 113.3 | R884 D885 L891 N892 | R884-Q888 WeakPolarHBondContact O-CG 3.42Å; R884-Q888 PolarHBondContact O-N 3.33Å; D885-Q888 CarbonylContact O-C 3.55Å; D885-Q888 PolarHBondContact O-N 2.8Å; D885-Q888 VanDerWaalsContact O-N 3.11Å; Q888-L891 PolarHBondContact O-N 2.91Å; Q888-N892 PolarHBondContact O-ND2 2.83Å; Q888-N892 VanDerWaalsContact O-ND2 3.1Å |
| 889 | E | 89.9 | Confident | 89.8 | Confident | 126 Ų | 126 | 53 Ų | 53 | 59% | 0.589 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -64.7 | -49.5 | 173.2 | -173.2 | 165.3 | -152.5 | 0 | 0 | 110.4 | D885 I886 L891 N892 | D885-E889 WeakPolarHBondContact O-CB 3.44Å; D885-E889 PolarHBondContact O-N 2.91Å; I886-E889 PolarHBondContact O-N 3.21Å; E889-L891 PolarHBondContact O-N 2.83Å; E889-N892 WeakPolarHBondContact O-CB 3.25Å; E889-N892 PolarHBondContact O-N 3.3Å |
| 890 | A | 91.5 | Very high | 90.2 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 4% | 0.041 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59 | -29.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I870 I886 N892 E893 I896 | I870-A890 HydrophobicContact CG2-CB 3.49Å; I870-A890 VanDerWaalsContact CG2-CB 3.49Å; I886-A890 WeakPolarHBondContact O-CB 3.48Å; I886-A890 PolarHBondContact O-N 2.96Å; A890-N892 PolarHBondContact O-N 2.93Å; A890-E893 PolarHBondContact O-N 3.26Å; A890-E893 VanDerWaalsContact O-N 3.09Å; A890-I896 HydrophobicContact CB-CG2 4.29Å; A890-I896 WeakPolarHBondContact O-CG1 3.46Å |
| 891 | L | 90.1 | Very high | 90.2 | Very high | 25 Ų | 25 | 49.9 Ų | 49.9 | 13% | 0.131 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -10.7 | 172.6 | -70.9 | 175.3 | 0 | 0 | 0 | 114.1 | N805 G809 L812 F887 Q888 E889 I896 | N805-L891 PolarHBondContact ND2-O 2.85Å; G809-L891 VanDerWaalsContact CA-O 3.31Å; G809-L891 WeakPolarHBondContact CA-O 3.3Å; G809-L891 PolarHBondContact N-O 2.85Å; L812-L891 HydrophobicContact CB-CD2 4.46Å; L812-L891 HydrophobicContact CD1-CD2 3.81Å; L812-L891 HydrophobicContact CG-CD2 3.67Å; F887-L891 HydrophobicContact CD1-CD1 4.31Å; F887-L891 HydrophobicContact CD1-CG 4.43Å; F887-L891 HydrophobicContact CE1-CD1 4.18Å; F887-L891 HydrophobicContact CE1-CD2 4.3Å; F887-L891 HydrophobicContact CE1-CG 4.3Å; F887-L891 WeakPolarHBondContact O-CG 3.34Å; F887-L891 PolarHBondContact O-N 2.89Å; Q888-L891 PolarHBondContact O-N 2.91Å; E889-L891 PolarHBondContact O-N 2.83Å; L891-I896 HydrophobicContact CD2-CD1 3.92Å |
| 892 | N | 89.8 | Confident | 90.3 | Very high | 83 Ų | 83 | 47 Ų | 47 | 44% | 0.444 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -9.8 | 175.4 | -59.9 | -67 | 0 | 0 | 0 | 114.3 | R808 Q888 E889 A890 | R808-N892 WeakPolarHBondContact CD-O 3.18Å; R808-N892 WeakPolarHBondContact CG-O 3.22Å; R808-N892 PolarHBondContact NH1-O 2.95Å; Q888-N892 PolarHBondContact O-ND2 2.83Å; Q888-N892 VanDerWaalsContact O-ND2 3.1Å; E889-N892 WeakPolarHBondContact O-CB 3.25Å; E889-N892 PolarHBondContact O-N 3.3Å; A890-N892 PolarHBondContact O-N 2.93Å |
| 893 | E | 88 | Confident | 90 | Very high | 69 Ų | 69 | 45.1 Ų | 45.1 | 32% | 0.322 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -77.9 | 156.9 | 174.8 | -71.4 | -56.6 | 151.5 | 0 | 0 | 111.7 | N805 A890 E895 | N805-E893 VanDerWaalsContact CB-O 3.27Å; N805-E893 WeakPolarHBondContact CB-O 3.39Å; N805-E893 PolarHBondContact ND2-O 3.38Å; A890-E893 PolarHBondContact O-N 3.26Å; A890-E893 VanDerWaalsContact O-N 3.09Å; E893-E895 VanDerWaalsContact C-N 3.34Å |
| 894 | P | 83.5 | Confident | 89.3 | Confident | 27 Ų | 27 | 48.8 Ų | 48.8 | 18% | 0.175 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -74.7 | -23.3 | 177.6 | 31 | -33.4 | 0 | 0 | 0 | 112.7 | I804 N805 | I804-P894 CarbonylContact C-O 3.46Å; I804-P894 WeakPolarHBondContact CA-O 3.4Å; N805-P894 PolarHBondContact N-O 2.69Å |
| 895 | E | 85.2 | Confident | 87.9 | Confident | 61 Ų | 61 | 47.1 Ų | 47.1 | 29% | 0.285 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 138.7 | 171.8 | -170.9 | -179.4 | -158.8 | 0 | 0 | 111.2 | R802 N871 E893 I897 | R802-E895 WeakPolarHBondContact CB-OE1 3.19Å; R802-E895 WeakPolarHBondContact CD-OE1 3.38Å; R802-E895 VanDerWaalsContact CG-OE1 3.25Å; R802-E895 WeakPolarHBondContact CG-OE1 3.38Å; R802-E895 IonicContact CZ-OE1 2.77Å; R802-E895 IonicContact NE-OE1 3.98Å; R802-E895 IonicContact NH1-OE1 2.96Å; R802-E895 PolarHBondContact NH1-OE1 3.37Å; R802-E895 IonicContact NH1-OE2 3.2Å; R802-E895 PolarHBondContact NH1-OE2 2.78Å; N871-E895 PolarHBondContact ND2-O 2.85Å; E893-E895 VanDerWaalsContact C-N 3.34Å; E895-I897 HydrophobicContact CG-CG1 4.13Å |
| 896 | I | 91.9 | Very high | 86.3 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.1 | 175.7 | -53.1 | 173 | 0 | 0 | 0 | 108.5 | R802 L803 L812 N871 A890 L891 L898 | R802-I896 CarbonylContact C-O 3.49Å; R802-I896 WeakPolarHBondContact CA-O 3.47Å; L803-I896 HydrophobicContact CB-CB 4.31Å; L803-I896 PolarHBondContact N-O 3.33Å; L803-I896 PolarHBondContact O-N 2.96Å; L812-I896 HydrophobicContact CD1-CD1 4.01Å; N871-I896 WeakPolarHBondContact OD1-CA 3.43Å; A890-I896 HydrophobicContact CB-CG2 4.29Å; A890-I896 WeakPolarHBondContact O-CG1 3.46Å; L891-I896 HydrophobicContact CD2-CD1 3.92Å; I896-L898 HydrophobicContact CG2-CD2 3.76Å; I896-L898 HydrophobicContact CG2-CG 4.09Å |
| 897 | I | 92.1 | Very high | 83.9 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 24% | 0.241 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 105.3 | -178 | -48.8 | -176.9 | 0 | 0 | 0 | 109 | T800 I801 R802 I870 N871 E895 | T800-I897 HydrophobicContact CG2-CG2 3.66Å; I801-I897 WeakPolarHBondContact O-CA 3.29Å; R802-I897 HydrophobicContact CG-CG1 4.32Å; R802-I897 HydrophobicContact CG-CG2 4.42Å; I870-I897 CarbonylContact C-O 3.57Å; I870-I897 WeakPolarHBondContact CA-O 3.33Å; N871-I897 PolarHBondContact N-O 2.8Å; N871-I897 PolarHBondContact OD1-N 2.81Å; E895-I897 HydrophobicContact CG-CG1 4.13Å |
| 898 | L | 93.4 | Very high | 81.4 | Confident | 0 Ų | 0 | 58.1 Ų | 58.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 124.8 | 179.9 | -53.5 | 177.4 | 0 | 0 | 0 | 109.9 | T800 I801 L803 L861 I867 S869 I870 F887 I896 V900 | T800-L898 CarbonylContact C-O 3.54Å; T800-L898 WeakPolarHBondContact CA-O 2.99Å; I801-L898 HydrophobicContact CB-CB 4.45Å; I801-L898 PolarHBondContact N-O 2.65Å; I801-L898 PolarHBondContact O-N 3.33Å; L803-L898 HydrophobicContact CD1-CD1 4.1Å; L861-L898 HydrophobicContact CD1-CD1 4.18Å; I867-L898 HydrophobicContact CG2-CB 4.44Å; I867-L898 HydrophobicContact CG2-CD2 4.21Å; S869-L898 WeakPolarHBondContact O-CA 3.44Å; I870-L898 HydrophobicContact CB-CD2 4.35Å; I870-L898 HydrophobicContact CG1-CD2 3.88Å; I870-L898 HydrophobicContact CG2-CD2 4.12Å; F887-L898 HydrophobicContact CE2-CD2 4.26Å; I896-L898 HydrophobicContact CG2-CD2 3.76Å; I896-L898 HydrophobicContact CG2-CG 4.09Å; L898-V900 HydrophobicContact CB-CG2 3.67Å |
| 899 | R | 92 | Very high | 78.7 | Confident | 136 Ų | 136 | 57 Ų | 57 | 51% | 0.513 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 127.4 | 160.1 | -68.3 | -178.1 | 179.6 | -101.8 | 2.7 | 108.1 | I798 L868 S869 | I798-R899 HydrophobicContact CG2-CB 4.03Å; L868-R899 PolarHBondContact N-O 3.25Å; S869-R899 PolarHBondContact N-O 3.06Å; S869-R899 PolarHBondContact O-N 2.83Å; S869-R899 VanDerWaalsContact OG-CB 3.25Å; S869-R899 WeakPolarHBondContact OG-CB 3.48Å; S869-R899 WeakPolarHBondContact OG-CD 3.36Å; S869-R899 WeakPolarHBondContact OG-CG 3.47Å |
| 900 | V | 91.7 | Very high | 75.9 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 128.4 | -166.9 | -177.2 | 0 | 0 | 0 | 0 | 110.4 | V799 I801 L861 D865 R866 I867 L898 P902 | V799-V900 PolarHBondContact N-O 3.3Å; V799-V900 PolarHBondContact O-N 2.78Å; I801-V900 HydrophobicContact CD1-CB 4.14Å; I801-V900 HydrophobicContact CD1-CG2 3.97Å; L861-V900 HydrophobicContact CD2-CB 4.47Å; L861-V900 HydrophobicContact CD2-CG1 3.98Å; L861-V900 HydrophobicContact CD2-CG2 3.95Å; D865-V900 HydrophobicContact CB-CG1 3.68Å; R866-V900 CarbonylContact O-C 3.52Å; R866-V900 WeakPolarHBondContact O-CA 3.33Å; I867-V900 HydrophobicContact CG1-CG2 4.27Å; I867-V900 HydrophobicContact CG2-CG2 4.43Å; L898-V900 HydrophobicContact CB-CG2 3.67Å; V900-P902 WeakPolarHBondContact O-CD 3.32Å |
| 901 | L | 89.3 | Confident | 72.9 | Confident | 30 Ų | 30 | 56.8 Ų | 56.8 | 16% | 0.157 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 107.2 | 168.6 | 176 | 69.2 | 0 | 0 | 0 | 108.4 | S797 R866 L868 A905 Y906 | S797-L901 WeakPolarHBondContact O-CD1 3.48Å; R866-L901 HydrophobicContact CB-CB 4.3Å; R866-L901 PolarHBondContact N-O 2.87Å; R866-L901 PolarHBondContact O-N 2.84Å; L868-L901 HydrophobicContact CD1-CB 4.08Å; L868-L901 HydrophobicContact CG-CB 4.33Å; L901-A905 HydrophobicContact CD1-CB 3.82Å; L901-Y906 HydrophobicContact CD2-CD1 4Å; L901-Y906 HydrophobicContact CG-CD1 4.05Å |
| 902 | P | 89 | Confident | 70.1 | Confident | 22 Ų | 22 | 62 Ų | 62 | 14% | 0.143 | 33% | 0.327 | C | S | . | . | trans | -67.1 | 151.5 | -175.3 | -20.1 | 34.1 | 0 | 0 | 0 | 112.2 | S797 V799 D865 V900 S904 A905 | S797-P902 WeakPolarHBondContact O-CD 3.36Å; V799-P902 HydrophobicContact CB-CG 4.24Å; V799-P902 HydrophobicContact CG2-CG 3.58Å; D865-P902 WeakPolarHBondContact OD1-CA 3.29Å; V900-P902 WeakPolarHBondContact O-CD 3.32Å; P902-S904 PolarHBondContact O-N 2.97Å; P902-S904 VanDerWaalsContact O-N 3.16Å; P902-A905 VanDerWaalsContact O-CB 3.31Å; P902-A905 WeakPolarHBondContact O-CB 3.25Å; P902-A905 PolarHBondContact O-N 3.09Å | ||
| 903 | H | 82.7 | Confident | 67.2 | Low | 46 Ų | 46 | 62.4 Ų | 62.4 | 21% | 0.213 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.9 | -33.5 | -177.5 | -156.4 | 51.8 | 0 | 0 | 0 | 112.8 | G864 D865 A905 Y906 Q907 | G864-H903 WeakPolarHBondContact CA-ND1 3.17Å; G864-H903 WeakPolarHBondContact O-CB 3.31Å; G864-H903 PolarHBondContact O-ND1 3.37Å; D865-H903 PolarHBondContact OD1-N 3.09Å; H903-A905 VanDerWaalsContact C-N 3.26Å; H903-A905 PolarHBondContact O-N 2.64Å; H903-Y906 AromaticContact CE1-CZ 3.98Å; H903-Y906 AromaticContact ND1-CE1 3.85Å; H903-Y906 AromaticContact ND1-CE2 3.9Å; H903-Y906 AromaticContact ND1-CZ 3.36Å; H903-Y906 PolarHBondContact ND1-OH 3.19Å; H903-Y906 VanDerWaalsContact ND1-OH 3.14Å; H903-Y906 PolarHBondContact O-N 2.85Å; H903-Q907 PolarHBondContact CD2-NE2 3.35Å; H903-Q907 PolarHBondContact NE2-NE2 2.84Å; H903-Q907 WeakPolarHBondContact O-CG 3.46Å; H903-Q907 PolarHBondContact O-N 2.79Å; H903-Q907 VanDerWaalsContact O-N 3.08Å |
| 904 | S | 75.2 | Confident | 64.3 | Low | 78 Ų | 78 | 66.3 Ų | 66.3 | 55% | 0.545 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -29.3 | 175.7 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | P902 Y906 | P902-S904 PolarHBondContact O-N 2.97Å; P902-S904 VanDerWaalsContact O-N 3.16Å; S904-Y906 VanDerWaalsContact C-N 3.33Å; S904-Y906 PolarHBondContact O-N 3.13Å |
| 905 | A | 62.5 | Low | 61.6 | Low | 38 Ų | 38 | 72 Ų | 72 | 31% | 0.314 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -69.9 | -28.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | L901 P902 H903 | L901-A905 HydrophobicContact CD1-CB 3.82Å; P902-A905 VanDerWaalsContact O-CB 3.31Å; P902-A905 WeakPolarHBondContact O-CB 3.25Å; P902-A905 PolarHBondContact O-N 3.09Å; H903-A905 VanDerWaalsContact C-N 3.26Å; H903-A905 PolarHBondContact O-N 2.64Å |
| 906 | Y | 57.7 | Low | 58.8 | Low | 36 Ų | 36 | 76.6 Ų | 76.6 | 14% | 0.141 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -121.4 | -7.1 | -173.8 | 72.6 | -94.7 | 0 | 0 | 0 | 115.1 | E845 G864 R866 L901 H903 S904 Y908 S909 | E845-Y906 PolarHBondContact OE2-OH 3.37Å; G864-Y906 PolarHBondContact O-OH 2.84Å; R866-Y906 HydrophobicContact CG-CE1 4.02Å; R866-Y906 PolarHBondContact NE-OH 3.05Å; L901-Y906 HydrophobicContact CD2-CD1 4Å; L901-Y906 HydrophobicContact CG-CD1 4.05Å; H903-Y906 AromaticContact CE1-CZ 3.98Å; H903-Y906 AromaticContact ND1-CE1 3.85Å; H903-Y906 AromaticContact ND1-CE2 3.9Å; H903-Y906 AromaticContact ND1-CZ 3.36Å; H903-Y906 PolarHBondContact ND1-OH 3.19Å; H903-Y906 VanDerWaalsContact ND1-OH 3.14Å; H903-Y906 PolarHBondContact O-N 2.85Å; S904-Y906 VanDerWaalsContact C-N 3.33Å; S904-Y906 PolarHBondContact O-N 3.13Å; Y906-Y908 VanDerWaalsContact C-N 3.27Å; Y906-Y908 PolarHBondContact O-N 3.4Å; Y906-S909 WeakPolarHBondContact O-CB 3.4Å; Y906-S909 PolarHBondContact O-N 3.4Å; Y906-S909 PolarHBondContact O-OG 2.74Å |
| 907 | Q | 43.3 | Very low | 55.9 | Low | 105 Ų | 105 | 83.6 Ų | 83.6 | 49% | 0.491 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62.9 | -30.4 | 168.8 | -86.8 | -163.4 | -11.7 | 0 | 0 | 113.4 | H903 S909 S910 S911 | H903-Q907 PolarHBondContact CD2-NE2 3.35Å; H903-Q907 PolarHBondContact NE2-NE2 2.84Å; H903-Q907 WeakPolarHBondContact O-CG 3.46Å; H903-Q907 PolarHBondContact O-N 2.79Å; H903-Q907 VanDerWaalsContact O-N 3.08Å; Q907-S909 VanDerWaalsContact C-N 3.34Å; Q907-S910 PolarHBondContact O-N 2.62Å; Q907-S911 PolarHBondContact O-OG 2.74Å |
| 908 | Y | 40.1 | Very low | 52.7 | Low | 176 Ų | 176 | 88.5 Ų | 88.5 | 69% | 0.69 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -30.4 | 178.3 | -79.6 | -80.7 | 0 | 0 | 0 | 112.8 | Y906 S910 S911 | Y906-Y908 VanDerWaalsContact C-N 3.27Å; Y906-Y908 PolarHBondContact O-N 3.4Å; Y908-S910 VanDerWaalsContact C-N 3.31Å; Y908-S910 PolarHBondContact O-N 3.19Å; Y908-S911 PolarHBondContact O-N 2.85Å; Y908-S911 PolarHBondContact O-OG 2.6Å |
| 909 | S | 34.2 | Very low | 49.7 | Very low | 83 Ų | 83 | 96.8 Ų | 96.8 | 58% | 0.58 | 51% | 0.507 | S | S | * | . | G | 310 helix | trans | -60.5 | -40 | 174.4 | -42 | 0 | 0 | 0 | 0 | 112.2 | Y906 Q907 S911 | Y906-S909 WeakPolarHBondContact O-CB 3.4Å; Y906-S909 PolarHBondContact O-N 3.4Å; Y906-S909 PolarHBondContact O-OG 2.74Å; Q907-S909 VanDerWaalsContact C-N 3.34Å; S909-S911 VanDerWaalsContact C-N 3.34Å; S909-S911 PolarHBondContact O-N 3.31Å |
| 910 | S | 30.1 | Very low | 46.8 | Very low | 67 Ų | 67 | 98.3 Ų | 98.3 | 47% | 0.469 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -79.9 | -8.6 | -174.7 | -56.9 | 0 | 0 | 0 | 0 | 114.9 | Q907 Y908 | Q907-S910 PolarHBondContact O-N 2.62Å; Y908-S910 VanDerWaalsContact C-N 3.31Å; Y908-S910 PolarHBondContact O-N 3.19Å |
| 911 | S | 28.3 | Very low | 43.7 | Very low | 61 Ų | 61 | 107.7 Ų | 107.7 | 43% | 0.427 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | -109.8 | -6.7 | -173.9 | 48.1 | 0 | 0 | 0 | 0 | 114.5 | Q907 Y908 S909 | Q907-S911 PolarHBondContact O-OG 2.74Å; Y908-S911 PolarHBondContact O-N 2.85Å; Y908-S911 PolarHBondContact O-OG 2.6Å; S909-S911 VanDerWaalsContact C-N 3.34Å; S909-S911 PolarHBondContact O-N 3.31Å |
| 912 | L | 32.1 | Very low | 40.7 | Very low | 134 Ų | 134 | 110.5 Ų | 110.5 | 70% | 0.702 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -93.5 | -8.3 | 176.9 | -71.4 | 167.2 | 0 | 0 | 0 | 113.9 | ||
| 913 | S | 28.1 | Very low | 37.8 | Very low | 92 Ų | 92 | 116.3 Ų | 116.3 | 64% | 0.643 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -95.8 | -6.1 | -175.2 | 55.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 914 | I | 28.8 | Very low | 35.2 | Very low | 150 Ų | 150 | 117.8 Ų | 117.8 | 77% | 0.769 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -118.7 | 42.1 | 178.5 | -37.8 | -177.8 | 0 | 0 | 0 | 111.2 | ||
| 915 | Q | 26.5 | Very low | 32.9 | Very low | 148 Ų | 148 | 120.2 Ų | 120.2 | 69% | 0.692 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -126.7 | 43.7 | 175.2 | -66 | -166.7 | 49.3 | 0 | 0 | 112.7 | ||
| 916 | N | 26.8 | Very low | 31.3 | Very low | 157 Ų | 157 | 127 Ų | 127 | 84% | 0.84 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -153.1 | 156.5 | 163.6 | -101.1 | -46.1 | 0 | 0 | 0 | 112.3 | ||
| 917 | I | 29.9 | Very low | 29.8 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 76% | 0.764 | 72% | 0.716 | S | S | * | * | trans | 62.2 | 53.9 | 176.8 | -35.1 | -174.8 | 0 | 0 | 0 | 115.8 | K919 | I917-K919 VanDerWaalsContact C-N 3.25Å; I917-K919 PolarHBondContact O-N 2.72Å; I917-K919 VanDerWaalsContact O-N 3.13Å | ||
| 918 | D | 25.6 | Very low | 29.1 | Very low | 150 Ų | 150 | 131.9 Ų | 131.9 | 80% | 0.802 | 71% | 0.708 | S | S | * | * | trans | -79.1 | 74.8 | 153.9 | -164.6 | 6.9 | 0 | 0 | 0 | 109.3 | ||||
| 919 | K | 29.9 | Very low | 28.6 | Very low | 174 Ų | 174 | 131.5 Ų | 131.5 | 76% | 0.757 | 71% | 0.712 | S | S | * | * | trans | -161.4 | 142 | 179.1 | -112.6 | 159.4 | -170.9 | 175 | 0 | 114.5 | I917 | I917-K919 VanDerWaalsContact C-N 3.25Å; I917-K919 PolarHBondContact O-N 2.72Å; I917-K919 VanDerWaalsContact O-N 3.13Å | ||
| 920 | I | 30 | Very low | 28.5 | Very low | 167 Ų | 167 | 133.1 Ų | 133.1 | 86% | 0.856 | 71% | 0.709 | S | S | * | * | trans | 69.7 | 100.9 | 166.7 | -53.3 | 170.5 | 0 | 0 | 0 | 115.8 | ||||
| 921 | K | 26.7 | Very low | 28.4 | Very low | 199 Ų | 199 | 132 Ų | 132 | 87% | 0.865 | 70% | 0.7 | S | S | * | * | trans | -96 | 155.2 | 166.2 | -85.8 | -179.1 | 174.5 | 174.2 | 0 | 111.7 | ||||
| 922 | A | 26.6 | Very low | 28.4 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 71% | 0.707 | S | S | * | * | trans | 71.6 | 108.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 923 | T | 28.3 | Very low | 28.1 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 89% | 0.89 | 70% | 0.697 | S | S | * | * | 171.3 | 158 | 106.1 | 38.8 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 924 | A | 28.2 | Very low | 28 | Very low | 77 Ų | 77 | 129.3 Ų | 129.3 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | cis | -170.6 | 141.4 | -38.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 925 | T | 26.8 | Very low | 28 | Very low | 128 Ų | 128 | 128.9 Ų | 128.9 | 79% | 0.785 | 70% | 0.702 | S | S | * | * | trans | 72.6 | 155.4 | 173.4 | 79.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 926 | K | 28.4 | Very low | 28 | Very low | 182 Ų | 182 | 129.3 Ų | 129.3 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | cis | -164.2 | 131 | 19.8 | -140.8 | 155.3 | -169.1 | 168.2 | 0 | 113.3 | ||||
| 927 | K | 27.7 | Very low | 28 | Very low | 196 Ų | 196 | 126.4 Ų | 126.4 | 85% | 0.852 | 70% | 0.695 | S | S | * | * | trans | 39.5 | 135.3 | 154.7 | -66.8 | -171.2 | 170.3 | -164 | 0 | 122.7 | ||||
| 928 | S | 28.5 | Very low | 27.8 | Very low | 47 Ų | 47 | 126.2 Ų | 126.2 | 33% | 0.329 | 69% | 0.694 | S | S | . | * | 175.1 | 135 | 103.6 | 52.4 | 0 | 0 | 0 | 0 | 117.2 | N1445 | S928-N1445 PolarHBondContact O-ND2 3.45Å; S928-N1445 PolarHBondContact O-OD1 3.35Å; S928-N1445 PolarHBondContact OG-ND2 3.07Å | |||
| 929 | E | 28.1 | Very low | 27.9 | Very low | 167 Ų | 167 | 125.1 Ų | 125.1 | 78% | 0.78 | 69% | 0.693 | S | S | * | * | trans | 71.3 | 123.8 | 143.8 | -77.4 | 153.5 | -141.9 | 0 | 0 | 124.2 | E1444 | E929-E1444 WeakPolarHBondContact O-CG 3.43Š| ||
| 930 | K | 33.6 | Very low | 27.8 | Very low | 117 Ų | 117 | 121.2 Ų | 121.2 | 51% | 0.509 | 69% | 0.687 | S | S | . | * | trans | -148 | 168.2 | -151 | -164.3 | -137.1 | -179.9 | -164.7 | 0 | 110.7 | K1442 | K930-K1442 HydrophobicContact CG-CD 4.25Å; K930-K1442 HydrophobicContact CG-CG 4.49Å | ||
| 931 | P | 26.9 | Very low | 27.8 | Very low | 45 Ų | 45 | 120.1 Ų | 120.1 | 29% | 0.292 | 68% | 0.683 | S | S | . | * | trans | -118.2 | 161.6 | 147.6 | 14.5 | 7.5 | 0 | 0 | 0 | 111.6 | N1441 | P931-N1441 WeakPolarHBondContact CA-OD1 3.28Å; P931-N1441 WeakPolarHBondContact CB-OD1 3.4Å; P931-N1441 WeakPolarHBondContact CD-OD1 3.49Å; P931-N1441 WeakPolarHBondContact CG-OD1 3.25Å; P931-N1441 PolarHBondContact O-OD1 2.81Å; P931-N1441 VanDerWaalsContact O-OD1 3.08Å | ||
| 932 | S | 27.9 | Very low | 28.2 | Very low | 80 Ų | 80 | 114.9 Ų | 114.9 | 56% | 0.559 | 67% | 0.67 | S | S | * | * | cis | 90.4 | 102.1 | 22.6 | -154.6 | 0 | 0 | 0 | 0 | 111.7 | N1441 | S932-N1441 PolarHBondContact O-ND2 3.38Å; S932-N1441 PolarHBondContact O-OD1 3.05Å | ||
| 933 | C | 26.6 | Very low | 28.2 | Very low | 75 Ų | 75 | 118.4 Ų | 118.4 | 51% | 0.507 | 68% | 0.675 | S | S | . | * | cis | -160.1 | 161 | 7.4 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | N1441 | C933-N1441 PolarHBondContact N-ND2 3Š| ||
| 934 | G | 27 | Very low | 28.2 | Very low | 75 Ų | 75 | 115.7 Ų | 115.7 | 77% | 0.773 | 66% | 0.662 | S | S | * | * | cis | -153 | 132 | 4.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 935 | L | 27.7 | Very low | 28.3 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | trans | -140.8 | 129.3 | 169.9 | 174.3 | 138.6 | 0 | 0 | 0 | 108 | V937 | L935-V937 HydrophobicContact CD2-CG2 3.53Å; L935-V937 WeakPolarHBondContact O-CG2 3.17Å | ||
| 936 | I | 27.8 | Very low | 28.5 | Very low | 157 Ų | 157 | 119.5 Ų | 119.5 | 81% | 0.805 | 66% | 0.662 | S | S | * | * | trans | -133.3 | 110.4 | -173.2 | -66.7 | 174.3 | 0 | 0 | 0 | 104.1 | ||||
| 937 | V | 26.3 | Very low | 28.6 | Very low | 95 Ų | 95 | 119.3 Ų | 119.3 | 58% | 0.576 | 66% | 0.662 | S | S | * | * | cis | 70.7 | 128.1 | 36.1 | -158.5 | 0 | 0 | 0 | 0 | 108.9 | L935 | L935-V937 HydrophobicContact CD2-CG2 3.53Å; L935-V937 WeakPolarHBondContact O-CG2 3.17Å | ||
| 938 | I | 25.7 | Very low | 28.6 | Very low | 146 Ų | 146 | 116.5 Ų | 116.5 | 75% | 0.749 | 65% | 0.651 | S | S | * | * | cis | -155.5 | 176.2 | 31.1 | -7.2 | -171.5 | 0 | 0 | 0 | 110.5 | ||||
| 939 | V | 26.7 | Very low | 28.6 | Very low | 127 Ų | 127 | 118.3 Ų | 118.3 | 77% | 0.77 | 67% | 0.67 | S | S | * | * | trans | 68.9 | 137.2 | 145.8 | 160.3 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 940 | S | 27.6 | Very low | 28.6 | Very low | 91 Ų | 91 | 118.2 Ų | 118.2 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | cis | -156.5 | 145.7 | -17.6 | -97.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 941 | D | 29.9 | Very low | 28.4 | Very low | 144 Ų | 144 | 118 Ų | 118 | 77% | 0.77 | 67% | 0.672 | S | S | * | * | 76.8 | 152.4 | 62.5 | -134.4 | 38.3 | 0 | 0 | 0 | 112.4 | |||||
| 942 | P | 36.4 | Very low | 28.5 | Very low | 90 Ų | 90 | 123.9 Ų | 123.9 | 58% | 0.584 | 69% | 0.693 | S | S | * | * | -138.2 | -153.8 | -61.2 | 39.6 | -23.9 | 0 | 0 | 0 | 113.6 | |||||
| 943 | L | 26.6 | Very low | 28.5 | Very low | 162 Ų | 162 | 125.1 Ų | 125.1 | 85% | 0.848 | 70% | 0.702 | S | S | * | * | trans | 70 | 157 | 167.2 | -97 | 69.1 | 0 | 0 | 0 | 115.6 | ||||
| 944 | S | 27.9 | Very low | 28.6 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 61% | 0.608 | 71% | 0.709 | S | S | * | * | cis | -162 | 170.2 | -8.6 | 55.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 945 | K | 29.8 | Very low | 28.8 | Very low | 177 Ų | 177 | 130.2 Ų | 130.2 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | cis | -144 | 132.6 | 19.7 | -67.4 | 173.1 | -177.2 | 174.1 | 0 | 108 | ||||
| 946 | T | 31.5 | Very low | 28.8 | Very low | 108 Ų | 108 | 130.6 Ų | 130.6 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | 39 | 115.4 | 89.5 | 45.6 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 947 | K | 30.1 | Very low | 28.9 | Very low | 178 Ų | 178 | 132.1 Ų | 132.1 | 77% | 0.774 | 72% | 0.718 | S | S | * | * | -164.3 | 136.6 | 97.7 | -80.8 | -145.1 | 171.7 | -112.3 | 0 | 108.7 | |||||
| 948 | E | 27.5 | Very low | 29 | Very low | 137 Ų | 137 | 135.4 Ų | 135.4 | 64% | 0.64 | 73% | 0.731 | S | S | * | * | 67.5 | 131.5 | 58.3 | -63.3 | 168.4 | 173 | 0 | 0 | 112.6 | |||||
| 949 | A | 28.3 | Very low | 29.2 | Very low | 86 Ų | 86 | 137.6 Ų | 137.6 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | -159 | 157.8 | -14.8 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 950 | E | 28.3 | Very low | 29.3 | Very low | 164 Ų | 164 | 135.8 Ų | 135.8 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | 157.6 | 162.4 | 92.1 | -88 | -128 | 115.2 | 0 | 0 | 106.2 | |||||
| 951 | I | 29.9 | Very low | 29.3 | Very low | 113 Ų | 113 | 138.8 Ų | 138.8 | 58% | 0.579 | 73% | 0.733 | S | S | * | * | cis | -144 | -163.8 | 2.5 | -142.6 | 170.9 | 0 | 0 | 0 | 112.4 | ||||
| 952 | K | 28.3 | Very low | 29.3 | Very low | 169 Ų | 169 | 137 Ų | 137 | 74% | 0.735 | 73% | 0.73 | S | S | * | * | trans | -53 | 155.1 | 173.4 | -55.8 | 141.1 | -167.7 | 171 | 0 | 113.7 | ||||
| 953 | S | 29.4 | Very low | 29 | Very low | 105 Ų | 105 | 137.7 Ų | 137.7 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | cis | -151.2 | 144.1 | 15.6 | 50.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 954 | N | 28 | Very low | 29.2 | Very low | 124 Ų | 124 | 135.5 Ų | 135.5 | 66% | 0.663 | 73% | 0.73 | S | S | * | * | trans | 10 | 139.2 | 155.9 | -56.7 | -1.2 | 0 | 0 | 0 | 119.7 | ||||
| 955 | T | 30.9 | Very low | 29.4 | Very low | 133 Ų | 133 | 136.5 Ų | 136.5 | 82% | 0.816 | 73% | 0.734 | S | S | * | * | cis | -126.7 | 149 | 32.7 | 50.3 | 0 | 0 | 0 | 0 | 114.9 | Q957 | T955-Q957 PolarHBondContact O-N 3.24Š| ||
| 956 | N | 28.7 | Very low | 29.4 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | trans | -90.4 | 97.6 | -166.8 | -80.5 | -43.9 | 0 | 0 | 0 | 114.7 | L958 | N956-L958 PolarHBondContact O-N 2.79Š| ||
| 957 | Q | 29.8 | Very low | 29.2 | Very low | 190 Ų | 190 | 140.5 Ų | 140.5 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -74.8 | 96.6 | 159.9 | -67.1 | -174.4 | 26.1 | 0 | 0 | 110.9 | T955 K959 | T955-Q957 PolarHBondContact O-N 3.24Å; Q957-K959 PolarHBondContact O-N 3.36Å; Q957-K959 VanDerWaalsContact O-N 3.17Å | ||
| 958 | L | 27.8 | Very low | 29.1 | Very low | 164 Ų | 164 | 143 Ų | 143 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | trans | -69.5 | 110 | 170.5 | -83.7 | 162.7 | 0 | 0 | 0 | 110.6 | N956 | N956-L958 PolarHBondContact O-N 2.79Š| ||
| 959 | K | 29.4 | Very low | 29.1 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 130.4 | 168 | -80.3 | 175.6 | 178.3 | 165.8 | 0 | 109.2 | Q957 I961 | Q957-K959 PolarHBondContact O-N 3.36Å; Q957-K959 VanDerWaalsContact O-N 3.17Å; K959-I961 PolarHBondContact O-N 3.07Å |
| 960 | P | 28.2 | Very low | 28.9 | Very low | 89 Ų | 89 | 141.7 Ų | 141.7 | 58% | 0.578 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 131.1 | 167.2 | -22.2 | 33 | 0 | 0 | 0 | 109.9 | ||
| 961 | I | 28.1 | Very low | 28.9 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -55 | 132.2 | 160.3 | -64.2 | 171.2 | 0 | 0 | 0 | 106.2 | K959 P963 | K959-I961 PolarHBondContact O-N 3.07Å; I961-P963 WeakPolarHBondContact O-CD 3.15Å; I961-P963 VanDerWaalsContact O-N 3.12Å |
| 962 | P | 30.5 | Very low | 28.7 | Very low | 108 Ų | 108 | 141.6 Ų | 141.6 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 121.4 | 179.2 | 24 | -33.3 | 0 | 0 | 0 | 108.7 | ||
| 963 | P | 30.9 | Very low | 28.6 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 143.6 | 179 | 24.3 | -33.2 | 0 | 0 | 0 | 109.2 | I961 | I961-P963 WeakPolarHBondContact O-CD 3.15Å; I961-P963 VanDerWaalsContact O-N 3.12Å |
| 964 | P | 30.8 | Very low | 28.4 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 136.3 | -176.2 | 22.5 | -33.2 | 0 | 0 | 0 | 109.9 | ||
| 965 | P | 31.6 | Very low | 28.4 | Very low | 108 Ų | 108 | 142.3 Ų | 142.3 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 129.3 | -170.4 | 23 | -33.8 | 0 | 0 | 0 | 109.7 | R967 | P965-R967 PolarHBondContact O-N 2.87Š|
| 966 | P | 28.6 | Very low | 28.3 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 79% | 0.786 | 76% | 0.756 | S | S | * | * | trans | -61.4 | 106.4 | -178.7 | 23.7 | -33 | 0 | 0 | 0 | 108.7 | R968 | P966-R968 VanDerWaalsContact C-N 3.28Å; P966-R968 PolarHBondContact O-N 2.93Å | ||
| 967 | R | 28.6 | Very low | 28.2 | Very low | 247 Ų | 247 | 138 Ų | 138 | 93% | 0.932 | 74% | 0.738 | S | S | * | * | trans | -66.4 | 90.9 | 176.6 | -75.8 | -165.5 | -178.2 | -151.5 | 4.6 | 108.2 | P965 S969 | P965-R967 PolarHBondContact O-N 2.87Å; R967-S969 PolarHBondContact O-N 2.84Å; R967-S969 VanDerWaalsContact O-N 3.09Å | ||
| 968 | R | 27.4 | Very low | 28.1 | Very low | 230 Ų | 230 | 133.6 Ų | 133.6 | 87% | 0.868 | 73% | 0.726 | S | S | * | * | trans | -48.7 | 117 | 167.5 | -69.1 | 179.7 | 172.8 | -129.8 | -0.3 | 108.4 | P966 P970 | P966-R968 VanDerWaalsContact C-N 3.28Å; P966-R968 PolarHBondContact O-N 2.93Å; R968-P970 VanDerWaalsContact O-CD 3.25Å; R968-P970 WeakPolarHBondContact O-CD 3.35Å | ||
| 969 | S | 27.2 | Very low | 28.1 | Very low | 85 Ų | 85 | 135.4 Ų | 135.4 | 59% | 0.594 | 73% | 0.73 | S | S | * | * | trans | -66.7 | 112.9 | 154.5 | 50.1 | 0 | 0 | 0 | 0 | 107.2 | R967 N971 | R967-S969 PolarHBondContact O-N 2.84Å; R967-S969 VanDerWaalsContact O-N 3.09Å; S969-N971 PolarHBondContact O-N 2.72Å | ||
| 970 | P | 25.2 | Very low | 28.3 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 72% | 0.719 | S | S | * | * | trans | -72.2 | 123 | 175.8 | 30.5 | -31.9 | 0 | 0 | 0 | 108.7 | R968 | R968-P970 VanDerWaalsContact O-CD 3.25Å; R968-P970 WeakPolarHBondContact O-CD 3.35Å | ||
| 971 | N | 26.7 | Very low | 28.6 | Very low | 137 Ų | 137 | 130.3 Ų | 130.3 | 73% | 0.733 | 72% | 0.72 | S | S | * | * | trans | -170.2 | 33.4 | 163.2 | -99.3 | -14.2 | 0 | 0 | 0 | 113 | S969 | S969-N971 PolarHBondContact O-N 2.72Š| ||
| 972 | T | 27 | Very low | 28.9 | Very low | 138 Ų | 138 | 126.4 Ų | 126.4 | 85% | 0.847 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -133.6 | 24.4 | 176.6 | 41 | 0 | 0 | 0 | 0 | 113.8 | ||
| 973 | V | 25.9 | Very low | 29.3 | Very low | 141 Ų | 141 | 129 Ų | 129 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -147.3 | 78.9 | 160.9 | -174.8 | 0 | 0 | 0 | 0 | 107.9 | ||
| 974 | L | 25.5 | Very low | 29.4 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 71% | 0.707 | 69% | 0.692 | S | S | * | * | trans | -168.5 | 30.8 | 165.9 | -114.2 | 174.6 | 0 | 0 | 0 | 115.7 | I977 | L974-I977 HydrophobicContact CD2-CD1 3.67Å; L974-I977 HydrophobicContact CD2-CG1 4.5Å | ||
| 975 | T | 27.7 | Very low | 29.6 | Very low | 137 Ų | 137 | 127 Ų | 127 | 84% | 0.84 | 68% | 0.681 | S | S | * | * | trans | -127.2 | 59.1 | 172.9 | 39 | 0 | 0 | 0 | 0 | 111 | ||||
| 976 | R | 28 | Very low | 30 | Very low | 108 Ų | 108 | 126.9 Ų | 126.9 | 41% | 0.408 | 67% | 0.673 | S | S | . | * | trans | -155.9 | 47.3 | 174.6 | -119.3 | 166.1 | 167.5 | 135.6 | 154.2 | 110.3 | R33 H36 | R33-R976 PolarHBondContact O-NH1 2.75Å; R33-R976 PolarHBondContact O-NH2 2.86Å; H36-R976 PolarHBondContact CD2-NE 2.78Å; H36-R976 PolarHBondContact CD2-NH1 2.8Å; H36-R976 VanDerWaalsContact CD2-NH1 3.29Å; H36-R976 VanDerWaalsContact CG-NH1 3.3Å; H36-R976 WeakPolarHBondContact O-CG 3.43Å; H36-R976 PolarHBondContact O-NE 3.48Å; H36-R976 VanDerWaalsContact O-NE 3.17Å | ||
| 977 | I | 26.6 | Very low | 30.4 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 42% | 0.421 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -123.1 | 123.9 | 169 | -58.3 | -178.8 | 0 | 0 | 0 | 104.8 | L974 I982 | L974-I977 HydrophobicContact CD2-CD1 3.67Å; L974-I977 HydrophobicContact CD2-CG1 4.5Å; I977-I982 HydrophobicContact CD1-CD1 3.72Å; I977-I982 HydrophobicContact CG2-CD1 4.03Å; I977-I982 HydrophobicContact CG2-CG1 4.47Å |
| 978 | P | 28.4 | Very low | 30.9 | Very low | 98 Ų | 98 | 119 Ų | 119 | 64% | 0.636 | 64% | 0.64 | S | S | * | * | trans | -64.9 | 147 | -179.9 | 27.2 | -34.2 | 0 | 0 | 0 | 110.7 | G980 | P978-G980 PolarHBondContact O-N 2.8Š| ||
| 979 | E | 28 | Very low | 31.3 | Very low | 202 Ų | 202 | 115.3 Ų | 115.3 | 94% | 0.944 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 74.7 | -175.8 | -63.6 | -174.9 | 141 | 0 | 0 | 111.5 | ||
| 980 | G | 34 | Very low | 32.1 | Very low | 59 Ų | 59 | 116 Ų | 116 | 61% | 0.608 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -164.4 | -8.2 | 179.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | P978 | P978-G980 PolarHBondContact O-N 2.8Š|
| 981 | I | 34.9 | Very low | 32.7 | Very low | 114 Ų | 114 | 115.2 Ų | 115.2 | 59% | 0.585 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -118.1 | -19.1 | -168.6 | -59.6 | -180 | 0 | 0 | 0 | 114.3 | P984 | I981-P984 WeakPolarHBondContact O-CD 3.17Š|
| 982 | I | 34.2 | Very low | 33.1 | Very low | 73 Ų | 73 | 114.6 Ų | 114.6 | 37% | 0.374 | 61% | 0.606 | S | S | . | * | S | Bend | trans | -100.5 | -14.9 | -175.6 | -67 | 178.4 | 0 | 0 | 0 | 113.9 | I977 P984 L985 I986 | I977-I982 HydrophobicContact CD1-CD1 3.72Å; I977-I982 HydrophobicContact CG2-CD1 4.03Å; I977-I982 HydrophobicContact CG2-CG1 4.47Å; I982-P984 VanDerWaalsContact C-N 3.3Å; I982-L985 PolarHBondContact O-N 2.83Å; I982-L985 VanDerWaalsContact O-N 3.15Å; I982-I986 HydrophobicContact CG2-CD1 3.88Å; I982-I986 HydrophobicContact CG2-CG1 4.2Å |
| 983 | K | 37.3 | Very low | 33.5 | Very low | 162 Ų | 162 | 116.8 Ų | 116.8 | 70% | 0.704 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.3 | -26.4 | 175.8 | -73.1 | -174.2 | 177 | 177.7 | 0 | 114.8 | ||
| 984 | P | 33.8 | Very low | 33.8 | Very low | 80 Ų | 80 | 118.1 Ų | 118.1 | 52% | 0.519 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -73 | -44.9 | 169.3 | -18.8 | 32.9 | 0 | 0 | 0 | 113.4 | I981 I982 I986 D987 E988 | I981-P984 WeakPolarHBondContact O-CD 3.17Å; I982-P984 VanDerWaalsContact C-N 3.3Å; P984-I986 PolarHBondContact O-N 3.21Å; P984-D987 PolarHBondContact O-N 3.31Å; P984-E988 WeakPolarHBondContact O-CB 3.25Å; P984-E988 PolarHBondContact O-N 3.2Å |
| 985 | L | 35.1 | Very low | 34 | Very low | 99 Ų | 99 | 117.9 Ų | 117.9 | 52% | 0.518 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.7 | -22.4 | -163 | -86.2 | 159.2 | 0 | 0 | 0 | 115.5 | I982 F989 | I982-L985 PolarHBondContact O-N 2.83Å; I982-L985 VanDerWaalsContact O-N 3.15Å; L985-F989 PolarHBondContact O-N 2.86Å |
| 986 | I | 39 | Very low | 34.1 | Very low | 104 Ų | 104 | 120.1 Ų | 120.1 | 53% | 0.533 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -88.4 | -34.6 | 176.1 | -64.8 | 175.9 | 0 | 0 | 0 | 110.7 | I982 P984 F989 L990 | I982-I986 HydrophobicContact CG2-CD1 3.88Å; I982-I986 HydrophobicContact CG2-CG1 4.2Å; P984-I986 PolarHBondContact O-N 3.21Å; I986-F989 PolarHBondContact O-N 3.45Å; I986-L990 HydrophobicContact CG2-CD1 4.07Å; I986-L990 WeakPolarHBondContact O-CB 3.43Å; I986-L990 WeakPolarHBondContact O-CG 3.32Å; I986-L990 PolarHBondContact O-N 2.8Å |
| 987 | D | 37.5 | Very low | 34.2 | Very low | 92 Ų | 92 | 124 Ų | 124 | 49% | 0.492 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -68.2 | -37.4 | 170 | -81.6 | -47.8 | 0 | 0 | 0 | 110.9 | P984 L990 Q991 | P984-D987 PolarHBondContact O-N 3.31Å; D987-L990 CarbonylContact O-C 3.5Å; D987-L990 PolarHBondContact O-N 2.93Å; D987-Q991 WeakPolarHBondContact O-CA 3.32Å; D987-Q991 WeakPolarHBondContact O-CB 3.3Å; D987-Q991 WeakPolarHBondContact O-CG 3.01Å; D987-Q991 PolarHBondContact O-N 3.14Å |
| 988 | E | 38.8 | Very low | 34.1 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 52% | 0.519 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -58.2 | -49.2 | 171.4 | -167.2 | 166.9 | -145.5 | 0 | 0 | 111.4 | P984 L990 Q991 E992 | P984-E988 WeakPolarHBondContact O-CB 3.25Å; P984-E988 PolarHBondContact O-N 3.2Å; E988-L990 VanDerWaalsContact C-N 3.3Å; E988-L990 PolarHBondContact O-N 3.42Å; E988-Q991 PolarHBondContact O-N 2.82Å; E988-E992 PolarHBondContact O-N 3.26Å |
| 989 | F | 36.2 | Very low | 34 | Very low | 153 Ų | 153 | 127.8 Ų | 127.8 | 67% | 0.671 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.8 | -19.4 | 179 | -134.5 | -105.4 | 0 | 0 | 0 | 114.6 | L985 I986 | L985-F989 PolarHBondContact O-N 2.86Å; I986-F989 PolarHBondContact O-N 3.45Å |
| 990 | L | 43.6 | Very low | 34 | Very low | 99 Ų | 99 | 124.8 Ų | 124.8 | 52% | 0.518 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -96.3 | -16.3 | 172.7 | -70.3 | 173.9 | 0 | 0 | 0 | 113.1 | I986 D987 E988 K994 | I986-L990 HydrophobicContact CG2-CD1 4.07Å; I986-L990 WeakPolarHBondContact O-CB 3.43Å; I986-L990 WeakPolarHBondContact O-CG 3.32Å; I986-L990 PolarHBondContact O-N 2.8Å; D987-L990 CarbonylContact O-C 3.5Å; D987-L990 PolarHBondContact O-N 2.93Å; E988-L990 VanDerWaalsContact C-N 3.3Å; E988-L990 PolarHBondContact O-N 3.42Å; L990-K994 WeakPolarHBondContact O-CB 3.32Å; L990-K994 WeakPolarHBondContact O-CG 3.34Å; L990-K994 PolarHBondContact O-N 3.18Å |
| 991 | Q | 38.7 | Very low | 33.7 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 44% | 0.444 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -83.8 | -38.4 | 170.2 | -74.7 | 170.5 | 24.4 | 0 | 0 | 110.9 | D987 E988 K993 K994 Q995 | D987-Q991 WeakPolarHBondContact O-CA 3.32Å; D987-Q991 WeakPolarHBondContact O-CB 3.3Å; D987-Q991 WeakPolarHBondContact O-CG 3.01Å; D987-Q991 PolarHBondContact O-N 3.14Å; E988-Q991 PolarHBondContact O-N 2.82Å; Q991-K993 PolarHBondContact O-N 2.78Å; Q991-K994 CarbonylContact O-C 3.52Å; Q991-K994 VanDerWaalsContact O-C 3.3Å; Q991-K994 WeakPolarHBondContact O-CA 3.41Å; Q991-K994 PolarHBondContact O-N 3.45Å; Q991-Q995 WeakPolarHBondContact O-CB 3.31Å; Q991-Q995 VanDerWaalsContact O-CG 3.28Å; Q991-Q995 WeakPolarHBondContact O-CG 3.41Å; Q991-Q995 PolarHBondContact O-N 2.85Å |
| 992 | E | 34.5 | Very low | 33.4 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 58% | 0.579 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -55.7 | -39.8 | 168.4 | -75.5 | -164.4 | 129.3 | 0 | 0 | 111 | E988 K994 | E988-E992 PolarHBondContact O-N 3.26Å; E992-K994 VanDerWaalsContact C-N 3.26Å; E992-K994 PolarHBondContact O-N 3.23Å |
| 993 | K | 35.9 | Very low | 33 | Very low | 184 Ų | 184 | 133.4 Ų | 133.4 | 80% | 0.8 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -83.2 | 9.8 | 174.3 | -138.5 | 180 | -176 | -177.7 | 0 | 115.4 | Q991 | Q991-K993 PolarHBondContact O-N 2.78Å |
| 994 | K | 32.5 | Very low | 32.5 | Very low | 169 Ų | 169 | 128.2 Ų | 128.2 | 74% | 0.735 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -129 | 4.7 | 169.7 | -76 | -177.5 | 174 | -177.9 | 0 | 113.5 | L990 Q991 E992 | L990-K994 WeakPolarHBondContact O-CB 3.32Å; L990-K994 WeakPolarHBondContact O-CG 3.34Å; L990-K994 PolarHBondContact O-N 3.18Å; Q991-K994 CarbonylContact O-C 3.52Å; Q991-K994 VanDerWaalsContact O-C 3.3Å; Q991-K994 WeakPolarHBondContact O-CA 3.41Å; Q991-K994 PolarHBondContact O-N 3.45Å; E992-K994 VanDerWaalsContact C-N 3.26Å; E992-K994 PolarHBondContact O-N 3.23Å |
| 995 | Q | 29.5 | Very low | 31.9 | Very low | 130 Ų | 130 | 126.9 Ų | 126.9 | 61% | 0.607 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -114.8 | -1.5 | 175.9 | -69 | -179.4 | 18.4 | 0 | 0 | 112.7 | Q991 | Q991-Q995 WeakPolarHBondContact O-CB 3.31Å; Q991-Q995 VanDerWaalsContact O-CG 3.28Å; Q991-Q995 WeakPolarHBondContact O-CG 3.41Å; Q991-Q995 PolarHBondContact O-N 2.85Å |
| 996 | Q | 30 | Very low | 31.6 | Very low | 185 Ų | 185 | 124.7 Ų | 124.7 | 86% | 0.864 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -96.6 | 31 | 163.7 | -70.1 | -164.7 | -14.4 | 0 | 0 | 113.8 | ||
| 997 | E | 29.7 | Very low | 31 | Very low | 190 Ų | 190 | 126 Ų | 126 | 89% | 0.888 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -148.9 | 53.2 | 159.3 | -139.4 | 165.6 | -133.8 | 0 | 0 | 111.4 | ||
| 998 | N | 25.1 | Very low | 30.4 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 65% | 0.647 | 64% | 0.638 | S | S | * | * | trans | -126 | 148.6 | 170 | -116.7 | -31.1 | 0 | 0 | 0 | 109.2 | ||||
| 999 | N | 26.7 | Very low | 29.8 | Very low | 138 Ų | 138 | 131.1 Ų | 131.1 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | trans | 66 | 81 | -176.8 | -48.8 | -35.8 | 0 | 0 | 0 | 115.6 | ||||
| 1000 | N | 26.9 | Very low | 29.2 | Very low | 139 Ų | 139 | 128.2 Ų | 128.2 | 74% | 0.743 | 64% | 0.644 | S | S | * | * | -174.3 | 111.3 | 101 | -90.9 | -43.9 | 0 | 0 | 0 | 113.9 | |||||
| 1001 | N | 27.8 | Very low | 28.4 | Very low | 137 Ų | 137 | 132 Ų | 132 | 73% | 0.733 | 66% | 0.656 | S | S | * | * | trans | 68.4 | 124.9 | 136.7 | -52.4 | -28 | 0 | 0 | 0 | 121.6 | ||||
| 1002 | Q | 28.5 | Very low | 27.6 | Very low | 150 Ų | 150 | 132.9 Ų | 132.9 | 70% | 0.701 | 67% | 0.673 | S | S | * | * | trans | 87.1 | 86.9 | 138.4 | -151.3 | 164.5 | 5.8 | 0 | 0 | 118.4 | Q1549 | Q1002-Q1549 WeakPolarHBondContact O-CG 3.34Å; Q1002-Q1549 PolarHBondContact O-NE2 3.3Å | ||
| 1003 | L | 26 | Very low | 27.2 | Very low | 139 Ų | 139 | 132.4 Ų | 132.4 | 73% | 0.728 | 68% | 0.678 | S | S | * | * | trans | -45 | 141.8 | 140.7 | -155.2 | 77 | 0 | 0 | 0 | 110.2 | ||||
| 1004 | P | 26 | Very low | 26.6 | Very low | 53 Ų | 53 | 129 Ų | 129 | 34% | 0.344 | 67% | 0.672 | S | S | . | * | -111.5 | -167 | 91.2 | -15.2 | 32 | 0 | 0 | 0 | 119.4 | N1550 S1551 | P1004-N1550 VanDerWaalsContact CA-OD1 3.23Å; P1004-N1550 WeakPolarHBondContact CA-OD1 3.25Å; P1004-N1550 WeakPolarHBondContact CD-OD1 3.21Å; P1004-N1550 VanDerWaalsContact N-OD1 3.12Å; P1004-N1550 PolarHBondContact O-OD1 2.88Å; P1004-S1551 PolarHBondContact O-OG 2.91Å | |||
| 1005 | S | 21.9 | Very low | 26.2 | Very low | 53 Ų | 53 | 127.4 Ų | 127.4 | 37% | 0.371 | 67% | 0.672 | S | S | . | * | trans | -87 | 163.2 | 166 | 57.8 | 0 | 0 | 0 | 0 | 111.8 | N1550 S1551 | S1005-N1550 WeakPolarHBondContact O-CB 3.22Å; S1005-N1550 PolarHBondContact O-ND2 2.85Å; S1005-S1551 WeakPolarHBondContact CA-OG 3.13Å | ||
| 1006 | S | 28.9 | Very low | 26.1 | Very low | 53 Ų | 53 | 125.1 Ų | 125.1 | 37% | 0.371 | 67% | 0.667 | S | S | . | * | 145.5 | 116.9 | 119.9 | -78.9 | 0 | 0 | 0 | 0 | 116.2 | S1551 | S1006-S1551 CarbonylContact C-O 3.59Å; S1006-S1551 PolarHBondContact N-O 3.25Å | |||
| 1007 | Q | 26.1 | Very low | 25.9 | Very low | 130 Ų | 130 | 124 Ų | 124 | 61% | 0.607 | 66% | 0.662 | S | S | * | * | 65 | 123.6 | 120.7 | -61.7 | 168.1 | -67 | 0 | 0 | 121.7 | Q1552 | Q1007-Q1552 PolarHBondContact N-O 2.97Š| |||
| 1008 | E | 25 | Very low | 25.7 | Very low | 171 Ų | 171 | 120.4 Ų | 120.4 | 80% | 0.799 | 65% | 0.653 | S | S | * | * | trans | 62 | -164.7 | 140.8 | -64.6 | -163.9 | 87.2 | 0 | 0 | 119 | ||||
| 1009 | L | 26.3 | Very low | 25.8 | Very low | 140 Ų | 140 | 120.3 Ų | 120.3 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | trans | 64 | 64.9 | 162.3 | -63.2 | 167.8 | 0 | 0 | 0 | 116 | ||||
| 1010 | T | 24.3 | Very low | 25.9 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 57% | 0.571 | 65% | 0.652 | S | S | * | * | 77.2 | 140.3 | 84.3 | 65.9 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1011 | K | 25.2 | Very low | 26.1 | Very low | 177 Ų | 177 | 118.3 Ų | 118.3 | 77% | 0.77 | 64% | 0.643 | S | S | * | * | trans | 54.8 | 113.1 | 140.6 | -65.2 | 160.4 | -169.3 | 161 | 0 | 118.5 | ||||
| 1012 | S | 22.9 | Very low | 26 | Very low | 115 Ų | 115 | 115.4 Ų | 115.4 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | trans | 68.3 | -167 | 130.2 | -159.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1013 | V | 25.2 | Very low | 25.9 | Very low | 113 Ų | 113 | 112.1 Ų | 112.1 | 69% | 0.685 | 62% | 0.615 | S | S | * | * | trans | 56.3 | 79.5 | 174.7 | -168.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1014 | V | 24.2 | Very low | 26.1 | Very low | 112 Ų | 112 | 110 Ų | 110 | 68% | 0.679 | 61% | 0.605 | S | S | * | * | 46.8 | 94.4 | 84.2 | -175.4 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1015 | N | 24.7 | Very low | 26.2 | Very low | 137 Ų | 137 | 114.4 Ų | 114.4 | 73% | 0.733 | 63% | 0.625 | S | S | * | * | trans | 178.3 | 135.1 | 132.1 | -90.8 | -31.8 | 0 | 0 | 0 | 111.4 | ||||
| 1016 | T | 26.1 | Very low | 26.7 | Very low | 82 Ų | 82 | 116.6 Ų | 116.6 | 50% | 0.503 | 64% | 0.641 | S | S | . | * | cis | -166.8 | 179.9 | -25 | 0.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1017 | Q | 26.7 | Very low | 27.1 | Very low | 160 Ų | 160 | 121.3 Ų | 121.3 | 75% | 0.748 | 66% | 0.662 | S | S | * | * | trans | 25.2 | 124.9 | 137 | -63.7 | 145.3 | -3.4 | 0 | 0 | 116.3 | ||||
| 1018 | T | 26.1 | Very low | 27.3 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 71% | 0.712 | 67% | 0.669 | S | S | * | * | cis | 177.7 | 171.9 | 35 | 11.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1019 | N | 26.5 | Very low | 27.7 | Very low | 119 Ų | 119 | 118.5 Ų | 118.5 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | cis | -161.1 | 141.6 | 27.8 | -124.1 | -18.4 | 0 | 0 | 0 | 110.8 | ||||
| 1020 | I | 28.9 | Very low | 28.6 | Very low | 141 Ų | 141 | 118.2 Ų | 118.2 | 72% | 0.723 | 65% | 0.65 | S | S | * | * | 52.8 | 126.8 | 123.8 | -72 | -179.5 | 0 | 0 | 0 | 118.5 | |||||
| 1021 | V | 30.5 | Very low | 29.7 | Very low | 93 Ų | 93 | 116.8 Ų | 116.8 | 56% | 0.564 | 64% | 0.642 | S | S | * | * | cis | -173.4 | 153.5 | 2.8 | 97.3 | 0 | 0 | 0 | 0 | 113.2 | C380 | C380-V1021 HydrophobicContact CB-CG2 4.45Š| ||
| 1022 | N | 27 | Very low | 31.8 | Very low | 77 Ų | 77 | 110.2 Ų | 110.2 | 41% | 0.412 | 62% | 0.618 | S | S | . | * | trans | 62.8 | 146.1 | 156.8 | -67.3 | 20.6 | 0 | 0 | 0 | 119.9 | C379 C380 | C379-N1022 WeakPolarHBondContact CA-OD1 3.41Å; C380-N1022 VanDerWaalsContact CB-OD1 3.31Å; C380-N1022 WeakPolarHBondContact CB-OD1 3.36Å; C380-N1022 PolarHBondContact SG-N 3.4Å | ||
| 1023 | N | 26.5 | Very low | 34.7 | Very low | 81 Ų | 81 | 107.5 Ų | 107.5 | 43% | 0.433 | 60% | 0.597 | S | S | . | * | cis | -164 | 145.2 | -2.1 | -116.6 | 17.3 | 0 | 0 | 0 | 113 | H378 C379 | H378-N1023 PolarHBondContact O-ND2 3.26Å; H378-N1023 PolarHBondContact O-OD1 3.28Å; C379-N1023 VanDerWaalsContact CA-OD1 3.24Å; C379-N1023 WeakPolarHBondContact CA-OD1 3.47Å; C379-N1023 PolarHBondContact N-ND2 3.37Å; C379-N1023 PolarHBondContact N-OD1 2.99Å | ||
| 1024 | N | 28.9 | Very low | 37.8 | Very low | 95 Ų | 95 | 108.5 Ų | 108.5 | 51% | 0.508 | 59% | 0.589 | S | S | . | * | trans | 51.6 | 142.2 | 141.1 | -47.8 | -0.3 | 0 | 0 | 0 | 120.3 | H378 | H378-N1024 PolarHBondContact O-ND2 3.38Å; H378-N1024 PolarHBondContact O-OD1 3Å | ||
| 1025 | N | 29.1 | Very low | 41 | Very low | 144 Ų | 144 | 106.1 Ų | 106.1 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | cis | -170.6 | 162.8 | -9.6 | -104.6 | 3.1 | 0 | 0 | 0 | 106.4 | ||||
| 1026 | S | 32.5 | Very low | 44.3 | Very low | 99 Ų | 99 | 103.1 Ų | 103.1 | 69% | 0.692 | 56% | 0.557 | S | S | * | * | cis | -163.4 | 179.8 | -10.4 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1027 | D | 35.5 | Very low | 47.5 | Very low | 153 Ų | 153 | 99.2 Ų | 99.2 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | trans | -79.2 | 154.9 | -168.1 | -46.2 | -94.4 | 0 | 0 | 0 | 115.6 | ||||
| 1028 | D | 31.1 | Very low | 50.7 | Low | 140 Ų | 140 | 96 Ų | 96 | 75% | 0.749 | 52% | 0.518 | S | S | * | . | -178.9 | 162.9 | 92.6 | -144.2 | -21.1 | 0 | 0 | 0 | 114.1 | |||||
| 1029 | L | 33.5 | Very low | 54 | Low | 102 Ų | 102 | 90.5 Ų | 90.5 | 53% | 0.534 | 48% | 0.484 | S | S | . | . | trans | 61.1 | 66.8 | 154.4 | -152.7 | 75.3 | 0 | 0 | 0 | 122.1 | ||||
| 1030 | H | 45.7 | Very low | 57.1 | Low | 133 Ų | 133 | 88.5 Ų | 88.5 | 62% | 0.616 | 48% | 0.479 | S | S | * | . | trans | -132.5 | 79.9 | 144.3 | -85.1 | -39.7 | 0 | 0 | 0 | 111.2 | S1032 N1125 | H1030-S1032 PolarHBondContact O-N 3Å; H1030-N1125 PolarHBondContact ND1-OD1 3.29Å | ||
| 1031 | T | 46.4 | Very low | 60.1 | Low | 64 Ų | 64 | 82.8 Ų | 82.8 | 39% | 0.393 | 45% | 0.449 | S | S | . | . | trans | -76 | 67.5 | -178.4 | 44.4 | 0 | 0 | 0 | 0 | 112.9 | T1033 R1124 | T1031-T1033 PolarHBondContact O-N 3.42Å; T1031-R1124 WeakPolarHBondContact OG1-CD 3.32Å; T1031-R1124 PolarHBondContact OG1-NH1 2.73Å | ||
| 1032 | S | 70.1 | Confident | 62.9 | Low | 38 Ų | 38 | 79.6 Ų | 79.6 | 27% | 0.266 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 117.7 | 174.8 | 61.8 | 0 | 0 | 0 | 0 | 111.1 | H1030 K1121 R1122 | H1030-S1032 PolarHBondContact O-N 3Å; S1032-K1121 VanDerWaalsContact CB-CE 3.47Å; S1032-K1121 WeakPolarHBondContact OG-CE 3.47Å; S1032-R1122 CarbonylContact C-O 3.53Å; S1032-R1122 VanDerWaalsContact CA-O 3.31Å; S1032-R1122 WeakPolarHBondContact CA-O 3.49Å |
| 1033 | T | 82.7 | Confident | 65.6 | Low | 58 Ų | 58 | 80.8 Ų | 80.8 | 36% | 0.356 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 124.1 | -173.3 | 34.7 | 0 | 0 | 0 | 0 | 110.8 | T1031 H1035 R1122 | T1031-T1033 PolarHBondContact O-N 3.42Å; T1033-H1035 PolarHBondContact O-ND1 3.03Å; T1033-H1035 VanDerWaalsContact O-ND1 3.08Å; T1033-H1035 PolarHBondContact OG1-CE1 2.99Å; T1033-H1035 VanDerWaalsContact OG1-CE1 3.27Å; T1033-R1122 PolarHBondContact N-O 2.94Å; T1033-R1122 PolarHBondContact O-N 2.76Å; T1033-R1122 PolarHBondContact OG1-O 3.15Å |
| 1034 | Y | 90.3 | Very high | 68.2 | Low | 135 Ų | 135 | 82.3 Ų | 82.3 | 53% | 0.529 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 125.5 | 171.6 | -69.6 | -99.2 | 0 | 0 | 0 | 108.8 | M1088 V1119 V1120 K1121 | Y1034-M1088 HydrophobicContact CD1-CG 4.22Å; Y1034-M1088 HydrophobicContact CE1-CB 4.5Å; Y1034-M1088 HydrophobicContact CE1-CG 3.82Å; Y1034-M1088 HydrophobicContact CE1-SD 4.07Å; Y1034-V1119 HydrophobicContact CD1-CG1 4.21Å; Y1034-V1120 CarbonylContact C-O 3.52Å; Y1034-V1120 VanDerWaalsContact CA-O 3.3Å; Y1034-V1120 WeakPolarHBondContact CA-O 3.5Å; Y1034-K1121 HydrophobicContact CD1-CB 4.12Å; Y1034-K1121 HydrophobicContact CE1-CB 3.92Å; Y1034-K1121 HydrophobicContact CE1-CD 4.16Å; Y1034-K1121 HydrophobicContact CE1-CG 4.19Å; Y1034-K1121 HydrophobicContact CE2-CD 4.27Å; Y1034-K1121 HydrophobicContact CE2-CG 4.28Å; Y1034-K1121 WeakPolarHBondContact OH-CD 3.25Å; Y1034-K1121 PolarHBondContact OH-NZ 3.48Å |
| 1035 | H | 91.7 | Very high | 71.1 | Confident | 61 Ų | 61 | 78.6 Ų | 78.6 | 28% | 0.282 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 133.7 | 175.8 | -59.6 | 65.8 | 0 | 0 | 0 | 108.5 | T1033 I1037 V1119 V1120 R1122 | T1033-H1035 PolarHBondContact O-ND1 3.03Å; T1033-H1035 VanDerWaalsContact O-ND1 3.08Å; T1033-H1035 PolarHBondContact OG1-CE1 2.99Å; T1033-H1035 VanDerWaalsContact OG1-CE1 3.27Å; H1035-I1037 HydrophobicContact CB-CG1 4.4Å; H1035-V1119 WeakPolarHBondContact O-CA 3.28Å; H1035-V1120 HydrophobicContact CB-CG2 3.9Å; H1035-V1120 PolarHBondContact N-O 3.48Å; H1035-V1120 PolarHBondContact O-N 2.99Å; H1035-R1122 PolarHBondContact CD2-NH1 3.38Å; H1035-R1122 PolarHBondContact NE2-NH1 3.09Å |
| 1036 | T | 93.6 | Very high | 74.2 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 45% | 0.454 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 124.8 | 166.7 | -55.2 | 0 | 0 | 0 | 0 | 107.8 | T1117 L1118 V1119 | T1036-T1117 HydrophobicContact CG2-CG2 3.56Å; T1036-L1118 CarbonylContact C-O 3.36Å; T1036-L1118 WeakPolarHBondContact CA-O 3.13Å; T1036-V1119 HydrophobicContact CG2-CG2 4.46Å |
| 1037 | I | 94.3 | Very high | 77.1 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 130.9 | -176.8 | -59.7 | 167.8 | 0 | 0 | 0 | 107.3 | H1035 L1039 Q1080 L1081 L1118 V1120 | H1035-I1037 HydrophobicContact CB-CG1 4.4Å; I1037-L1039 HydrophobicContact CG2-CD2 3.84Å; I1037-L1039 HydrophobicContact CG2-CG 4.03Å; I1037-Q1080 HydrophobicContact CD1-CB 4.23Å; I1037-Q1080 HydrophobicContact CG1-CB 4.04Å; I1037-Q1080 HydrophobicContact CG2-CB 4.05Å; I1037-L1081 HydrophobicContact CD1-CB 4.19Å; I1037-L1081 HydrophobicContact CD1-CD1 3.65Å; I1037-L1118 PolarHBondContact N-O 3.33Å; I1037-L1118 PolarHBondContact O-N 3.29Å; I1037-V1120 HydrophobicContact CD1-CG2 3.69Å |
| 1038 | H | 94.1 | Very high | 79.9 | Confident | 91 Ų | 91 | 61.9 Ų | 61.9 | 42% | 0.421 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 108.9 | -177.5 | -58.9 | -84.8 | 0 | 0 | 0 | 109.7 | L1115 T1117 | H1038-L1115 HydrophobicContact CB-CD1 3.92Å; H1038-L1115 HydrophobicContact CB-CD2 4.27Å; H1038-L1115 HydrophobicContact CB-CG 4.17Å; H1038-T1117 VanDerWaalsContact CE1-CG2 3.47Å; H1038-T1117 WeakPolarHBondContact CE1-CG2 3.27Å; H1038-T1117 PolarHBondContact ND1-OG1 2.68Å |
| 1039 | L | 94.8 | Very high | 82.9 | Confident | 1 Ų | 1 | 57 Ų | 57 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120.9 | -177.1 | -62 | -174.9 | 0 | 0 | 0 | 111.1 | I1037 K1041 L1046 F1048 A1075 D1078 V1116 L1118 | I1037-L1039 HydrophobicContact CG2-CD2 3.84Å; I1037-L1039 HydrophobicContact CG2-CG 4.03Å; L1039-K1041 PolarHBondContact O-N 3.22Å; L1039-L1046 HydrophobicContact CB-CD2 3.76Å; L1039-L1046 HydrophobicContact CD1-CD2 4.46Å; L1039-F1048 HydrophobicContact CD1-CD1 4.2Å; L1039-F1048 HydrophobicContact CD1-CE1 3.93Å; L1039-A1075 HydrophobicContact CD1-CB 3.78Å; L1039-D1078 HydrophobicContact CD2-CB 3.38Å; L1039-D1078 VanDerWaalsContact CD2-CG 3.41Å; L1039-D1078 WeakPolarHBondContact CD2-OD2 3.35Å; L1039-V1116 PolarHBondContact N-O 3.38Å; L1039-V1116 PolarHBondContact O-N 2.91Å; L1039-L1118 HydrophobicContact CD1-CD1 3.7Å; L1039-L1118 HydrophobicContact CG-CD1 4.29Å |
| 1040 | C | 92.2 | Very high | 85.8 | Confident | 78 Ų | 78 | 53.3 Ų | 53.3 | 53% | 0.527 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69 | 125.3 | 165.7 | -66.7 | 0 | 0 | 0 | 0 | 109.7 | G1042 A1074 L1115 | C1040-G1042 PolarHBondContact O-N 3.4Å; C1040-A1074 WeakPolarHBondContact O-CB 3.48Å; C1040-L1115 VanDerWaalsContact SG-CD1 3.54Å |
| 1041 | K | 92.6 | Very high | 88 | Confident | 21 Ų | 21 | 49.2 Ų | 49.2 | 9% | 0.091 | 29% | 0.286 | C | S | . | . | trans | -76.2 | 102.6 | 179.3 | -177.8 | 170.7 | 172.6 | 176.3 | 0 | 111.2 | L1039 L1046 L1107 R1108 K1110 V1112 N1113 T1114 V1116 | L1039-K1041 PolarHBondContact O-N 3.22Å; K1041-L1046 HydrophobicContact CB-CD2 3.83Å; K1041-L1046 HydrophobicContact CB-CG 4.28Å; K1041-L1046 HydrophobicContact CD-CG 4.48Å; K1041-L1046 HydrophobicContact CG-CD2 4.29Å; K1041-L1046 HydrophobicContact CG-CG 4.2Å; K1041-L1107 PolarHBondContact NZ-O 3.28Å; K1041-R1108 PolarHBondContact NZ-O 3.15Å; K1041-K1110 HydrophobicContact CD-CB 4.13Å; K1041-K1110 WeakPolarHBondContact CD-O 3.42Å; K1041-K1110 WeakPolarHBondContact CE-O 3.09Å; K1041-K1110 PolarHBondContact NZ-O 3.31Å; K1041-V1112 CarbonylContact O-C 3.43Å; K1041-V1112 WeakPolarHBondContact O-CA 3.28Å; K1041-N1113 PolarHBondContact O-N 2.93Å; K1041-T1114 PolarHBondContact N-O 3.24Å; K1041-V1116 HydrophobicContact CB-CG2 4.49Å | ||
| 1042 | G | 87.5 | Confident | 90 | Very high | 26 Ų | 26 | 47.8 Ų | 47.8 | 27% | 0.268 | 28% | 0.278 | S | S | . | . | B | Isolated β-bridge | trans | -70.7 | 178.3 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C1040 N1044 G1045 | C1040-G1042 PolarHBondContact O-N 3.4Å; G1042-N1044 VanDerWaalsContact C-N 3.3Å; G1042-N1044 PolarHBondContact O-N 3.36Å; G1042-G1045 PolarHBondContact N-O 3.45Å; G1042-G1045 WeakPolarHBondContact O-CA 3.37Å; G1042-G1045 PolarHBondContact O-N 3.19Å |
| 1043 | S | 83.4 | Confident | 90.1 | Very high | 101 Ų | 101 | 52.4 Ų | 52.4 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -43.7 | 173.2 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | G1045 | S1043-G1045 PolarHBondContact O-N 3.18Å; S1043-G1045 VanDerWaalsContact O-N 3.1Å |
| 1044 | N | 81.6 | Confident | 88.9 | Confident | 114 Ų | 114 | 55.6 Ų | 55.6 | 61% | 0.61 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | 13 | 173.4 | -63.4 | -26.8 | 0 | 0 | 0 | 113.5 | G1042 | G1042-N1044 VanDerWaalsContact C-N 3.3Å; G1042-N1044 PolarHBondContact O-N 3.36Å |
| 1045 | G | 89.9 | Confident | 86.9 | Confident | 17 Ų | 17 | 52.5 Ų | 52.5 | 18% | 0.175 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | 75.7 | -152.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G1042 S1043 | G1042-G1045 PolarHBondContact N-O 3.45Å; G1042-G1045 WeakPolarHBondContact O-CA 3.37Å; G1042-G1045 PolarHBondContact O-N 3.19Å; S1043-G1045 PolarHBondContact O-N 3.18Å; S1043-G1045 VanDerWaalsContact O-N 3.1Å |
| 1046 | L | 93.7 | Very high | 84.6 | Confident | 14 Ų | 14 | 57.2 Ų | 57.2 | 7% | 0.073 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -6.3 | -175.5 | -68.2 | 167 | 0 | 0 | 0 | 114.3 | L1039 K1041 F1048 A1075 L1107 V1116 | L1039-L1046 HydrophobicContact CB-CD2 3.76Å; L1039-L1046 HydrophobicContact CD1-CD2 4.46Å; K1041-L1046 HydrophobicContact CB-CD2 3.83Å; K1041-L1046 HydrophobicContact CB-CG 4.28Å; K1041-L1046 HydrophobicContact CD-CG 4.48Å; K1041-L1046 HydrophobicContact CG-CD2 4.29Å; K1041-L1046 HydrophobicContact CG-CG 4.2Å; L1046-F1048 HydrophobicContact CB-CD1 3.93Å; L1046-F1048 HydrophobicContact CB-CE1 3.6Å; L1046-F1048 HydrophobicContact CD1-CE1 4.15Å; L1046-F1048 HydrophobicContact CD1-CZ 4.47Å; L1046-F1048 HydrophobicContact CG-CE1 4.46Å; L1046-A1075 VanDerWaalsContact O-CB 3.27Å; L1046-A1075 WeakPolarHBondContact O-CB 3.26Å; L1046-A1075 PolarHBondContact O-N 3.26Å; L1046-L1107 HydrophobicContact CD1-CB 4.26Å; L1046-L1107 HydrophobicContact CD1-CD2 3.66Å; L1046-L1107 HydrophobicContact CD1-CG 4.49Å; L1046-V1116 HydrophobicContact CD1-CB 4.37Å; L1046-V1116 HydrophobicContact CD1-CG1 4.22Å; L1046-V1116 HydrophobicContact CD1-CG2 4.3Å; L1046-V1116 HydrophobicContact CD2-CB 4.06Å; L1046-V1116 HydrophobicContact CD2-CG2 4.03Å |
| 1047 | G | 94.1 | Very high | 82.6 | Confident | 4 Ų | 4 | 56 Ų | 56 | 4% | 0.041 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 76.5 | 21.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117 | L1070 | G1047-L1070 PolarHBondContact O-N 3.33Š|
| 1048 | F | 95.2 | Very high | 80.2 | Confident | 27 Ų | 27 | 62.6 Ų | 62.6 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 163.9 | 174.6 | 67.9 | -89.8 | 0 | 0 | 0 | 113.1 | L1039 L1046 L1050 V1066 N1068 I1069 A1075 L1081 L1107 L1118 | L1039-F1048 HydrophobicContact CD1-CD1 4.2Å; L1039-F1048 HydrophobicContact CD1-CE1 3.93Å; L1046-F1048 HydrophobicContact CB-CD1 3.93Å; L1046-F1048 HydrophobicContact CB-CE1 3.6Å; L1046-F1048 HydrophobicContact CD1-CE1 4.15Å; L1046-F1048 HydrophobicContact CD1-CZ 4.47Å; L1046-F1048 HydrophobicContact CG-CE1 4.46Å; F1048-L1050 HydrophobicContact CD2-CD2 4.01Å; F1048-L1050 HydrophobicContact CD2-CG 4.16Å; F1048-L1050 HydrophobicContact CE2-CD1 4.2Å; F1048-L1050 HydrophobicContact CE2-CD2 3.7Å; F1048-L1050 HydrophobicContact CE2-CG 3.81Å; F1048-V1066 HydrophobicContact CB-CG1 4.28Å; F1048-V1066 HydrophobicContact CD2-CG1 4.45Å; F1048-V1066 HydrophobicContact CD2-CG2 4.24Å; F1048-N1068 WeakPolarHBondContact CA-O 3.43Å; F1048-I1069 HydrophobicContact CB-CG1 4.37Å; F1048-A1075 HydrophobicContact CB-CB 4.25Å; F1048-A1075 HydrophobicContact CD1-CB 3.91Å; F1048-L1081 HydrophobicContact CB-CD2 3.88Å; F1048-L1081 HydrophobicContact CD1-CD2 3.59Å; F1048-L1081 HydrophobicContact CD2-CD2 4.18Å; F1048-L1081 HydrophobicContact CE1-CD2 4.11Å; F1048-L1081 HydrophobicContact CG-CD2 3.62Å; F1048-L1107 HydrophobicContact CE2-CD1 4.34Å; F1048-L1107 HydrophobicContact CZ-CD1 4.13Å; F1048-L1118 HydrophobicContact CE1-CD1 3.67Å; F1048-L1118 HydrophobicContact CZ-CD1 3.71Å; F1048-L1118 HydrophobicContact CZ-CD2 4.49Å |
| 1049 | S | 93.8 | Very high | 78.4 | Confident | 38 Ų | 38 | 61.8 Ų | 61.8 | 27% | 0.266 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 147.8 | 179.8 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | V1066 K1067 N1068 | S1049-V1066 WeakPolarHBondContact O-CA 3.33Å; S1049-K1067 PolarHBondContact O-N 2.92Å; S1049-N1068 PolarHBondContact N-O 3.29Å; S1049-N1068 WeakPolarHBondContact OG-CA 3.27Å; S1049-N1068 WeakPolarHBondContact OG-CB 3.32Å; S1049-N1068 PolarHBondContact OG-N 3.15Å; S1049-N1068 PolarHBondContact OG-O 2.82Å |
| 1050 | L | 94.2 | Very high | 76.6 | Confident | 24 Ų | 24 | 64.2 Ų | 64.2 | 13% | 0.126 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 141.2 | -176.5 | -70.6 | -180 | 0 | 0 | 0 | 112.3 | F1048 I1064 C1065 V1066 L1087 Q1100 T1103 V1104 L1107 | F1048-L1050 HydrophobicContact CD2-CD2 4.01Å; F1048-L1050 HydrophobicContact CD2-CG 4.16Å; F1048-L1050 HydrophobicContact CE2-CD1 4.2Å; F1048-L1050 HydrophobicContact CE2-CD2 3.7Å; F1048-L1050 HydrophobicContact CE2-CG 3.81Å; L1050-I1064 HydrophobicContact CB-CG2 4.23Å; L1050-I1064 HydrophobicContact CD1-CG2 3.94Å; L1050-I1064 HydrophobicContact CD2-CG2 3.83Å; L1050-I1064 HydrophobicContact CG-CG2 4.23Å; L1050-C1065 WeakPolarHBondContact CA-O 3.47Å; L1050-V1066 HydrophobicContact CD2-CG2 4.17Å; L1050-L1087 HydrophobicContact CD1-CD2 4.04Å; L1050-L1087 HydrophobicContact CD2-CD2 4.29Å; L1050-Q1100 PolarHBondContact O-NE2 3.17Å; L1050-T1103 HydrophobicContact CD1-CG2 3.89Å; L1050-V1104 HydrophobicContact CD1-CG2 4.27Å; L1050-L1107 HydrophobicContact CD1-CD1 3.62Å |
| 1051 | T | 91.8 | Very high | 75.2 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 28% | 0.282 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 150.3 | 170.9 | 46.2 | 0 | 0 | 0 | 0 | 110.6 | I1064 C1065 K1067 | T1051-I1064 WeakPolarHBondContact O-CA 3.39Å; T1051-C1065 PolarHBondContact N-O 3.48Å; T1051-C1065 PolarHBondContact O-N 2.84Å; T1051-C1065 PolarHBondContact OG1-O 3.37Å; T1051-K1067 HydrophobicContact CG2-CB 3.84Å; T1051-K1067 HydrophobicContact CG2-CD 3.8Å; T1051-K1067 HydrophobicContact CG2-CG 3.89Å |
| 1052 | S | 87.6 | Confident | 74.1 | Confident | 34 Ų | 34 | 68.8 Ų | 68.8 | 24% | 0.238 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 136.8 | 159.3 | -61.1 | 0 | 0 | 0 | 0 | 108.6 | Q1100 | S1052-Q1100 VanDerWaalsContact N-OE1 3.15Å; S1052-Q1100 WeakPolarHBondContact OG-CB 3.47Å; S1052-Q1100 PolarHBondContact OG-OE1 3.09Å |
| 1053 | R | 73.7 | Confident | 74 | Confident | 135 Ų | 135 | 68.5 Ų | 68.5 | 51% | 0.509 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 121.4 | 152.9 | -86.5 | -177.2 | 169 | 162.5 | -3.5 | 107.2 | S1055 V1063 | R1053-S1055 PolarHBondContact O-N 3.24Å; R1053-V1063 PolarHBondContact N-O 2.93Å |
| 1054 | D | 56.9 | Low | 74.4 | Confident | 125 Ų | 125 | 63.7 Ų | 63.7 | 67% | 0.668 | 37% | 0.369 | S | S | * | . | trans | -75.3 | 28.6 | 170.6 | -73.2 | -49.6 | 0 | 0 | 0 | 112.4 | L1056 K1062 | D1054-L1056 PolarHBondContact O-N 2.92Å; D1054-K1062 IonicContact OD1-NZ 3.81Å; D1054-K1062 PolarHBondContact OD1-NZ 3.37Å | ||
| 1055 | S | 47.8 | Very low | 74.9 | Confident | 71 Ų | 71 | 58.5 Ų | 58.5 | 50% | 0.497 | 34% | 0.342 | S | S | . | . | trans | -62.5 | 101.8 | 164.2 | -63.5 | 0 | 0 | 0 | 0 | 108.7 | R1053 T1057 | R1053-S1055 PolarHBondContact O-N 3.24Å; S1055-T1057 PolarHBondContact O-N 2.8Å | ||
| 1056 | L | 43.8 | Very low | 75.2 | Confident | 159 Ų | 159 | 57.8 Ų | 57.8 | 83% | 0.832 | 34% | 0.335 | S | S | * | . | trans | -60.3 | 88 | 164.6 | -76.2 | 160.4 | 0 | 0 | 0 | 109.2 | D1054 | D1054-L1056 PolarHBondContact O-N 2.92Š| ||
| 1057 | T | 51.5 | Low | 75.2 | Confident | 48 Ų | 48 | 63.3 Ų | 63.3 | 29% | 0.294 | 36% | 0.358 | S | S | . | . | trans | -52.3 | 144.9 | 151.1 | 53.1 | 0 | 0 | 0 | 0 | 108.1 | S1055 S1059 G1060 Q1061 V1063 | S1055-T1057 PolarHBondContact O-N 2.8Å; T1057-S1059 PolarHBondContact O-N 3.08Å; T1057-S1059 PolarHBondContact OG1-OG 3.38Å; T1057-G1060 PolarHBondContact O-N 3.03Å; T1057-Q1061 PolarHBondContact OG1-N 3.01Å; T1057-Q1061 VanDerWaalsContact OG1-N 3.09Å; T1057-Q1061 PolarHBondContact OG1-O 3.47Å; T1057-V1063 HydrophobicContact CG2-CG2 3.91Å | ||
| 1058 | S | 45.1 | Very low | 75.1 | Confident | 141 Ų | 141 | 67 Ų | 67 | 99% | 0.986 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -12.2 | -176.5 | -45.9 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1059 | S | 54.8 | Low | 75 | Confident | 74 Ų | 74 | 67.5 Ų | 67.5 | 52% | 0.517 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -4.6 | 172.4 | 52.6 | 0 | 0 | 0 | 0 | 114.6 | T1057 Q1061 | T1057-S1059 PolarHBondContact O-N 3.08Å; T1057-S1059 PolarHBondContact OG1-OG 3.38Å; S1059-Q1061 PolarHBondContact O-N 3.41Å; S1059-Q1061 VanDerWaalsContact OG-CD 3.3Å; S1059-Q1061 WeakPolarHBondContact OG-CG 3.28Å; S1059-Q1061 PolarHBondContact OG-OE1 3.03Å |
| 1060 | G | 57.3 | Low | 75 | Confident | 51 Ų | 51 | 69.6 Ų | 69.6 | 53% | 0.526 | 39% | 0.388 | S | S | . | . | trans | 71 | 12.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | T1057 | T1057-G1060 PolarHBondContact O-N 3.03Š| ||
| 1061 | Q | 63.5 | Low | 74.7 | Confident | 93 Ų | 93 | 73.9 Ų | 73.9 | 44% | 0.435 | 42% | 0.417 | S | S | . | . | trans | -76.5 | 129.1 | -177.1 | -70.6 | 166.9 | -41 | 0 | 0 | 111.1 | T1057 S1059 V1063 | T1057-Q1061 PolarHBondContact OG1-N 3.01Å; T1057-Q1061 VanDerWaalsContact OG1-N 3.09Å; T1057-Q1061 PolarHBondContact OG1-O 3.47Å; S1059-Q1061 PolarHBondContact O-N 3.41Å; S1059-Q1061 VanDerWaalsContact OG-CD 3.3Å; S1059-Q1061 WeakPolarHBondContact OG-CG 3.28Å; S1059-Q1061 PolarHBondContact OG-OE1 3.03Å; Q1061-V1063 PolarHBondContact O-N 2.84Å | ||
| 1062 | K | 69 | Low | 74.4 | Confident | 103 Ų | 103 | 74.2 Ų | 74.2 | 45% | 0.448 | 43% | 0.43 | S | S | . | . | trans | -80.6 | 108.8 | 178.6 | -80.8 | -176.3 | 165.8 | -80.4 | 0 | 110.5 | D1054 | D1054-K1062 IonicContact OD1-NZ 3.81Å; D1054-K1062 PolarHBondContact OD1-NZ 3.37Å | ||
| 1063 | V | 85.2 | Confident | 74.5 | Confident | 19 Ų | 19 | 72.8 Ų | 72.8 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 126.7 | -179 | -171.3 | 0 | 0 | 0 | 0 | 110.5 | R1053 T1057 Q1061 L1086 M1088 | R1053-V1063 PolarHBondContact N-O 2.93Å; T1057-V1063 HydrophobicContact CG2-CG2 3.91Å; Q1061-V1063 PolarHBondContact O-N 2.84Å; V1063-L1086 HydrophobicContact CG1-CB 4.07Å; V1063-L1086 HydrophobicContact CG1-CD1 4.08Å; V1063-L1086 HydrophobicContact CG1-CD2 3.87Å; V1063-L1086 HydrophobicContact CG1-CG 4.22Å; V1063-M1088 HydrophobicContact CG1-CE 4.48Å |
| 1064 | I | 91.6 | Very high | 75.4 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 131 | 178.1 | -64.5 | 167.7 | 0 | 0 | 0 | 108.7 | L1050 T1051 L1086 L1087 V1095 Q1100 T1103 | L1050-I1064 HydrophobicContact CB-CG2 4.23Å; L1050-I1064 HydrophobicContact CD1-CG2 3.94Å; L1050-I1064 HydrophobicContact CD2-CG2 3.83Å; L1050-I1064 HydrophobicContact CG-CG2 4.23Å; T1051-I1064 WeakPolarHBondContact O-CA 3.39Å; I1064-L1086 CarbonylContact O-C 3.55Å; I1064-L1086 WeakPolarHBondContact O-CA 3.39Å; I1064-L1087 HydrophobicContact CG2-CB 4.26Å; I1064-L1087 PolarHBondContact O-N 3.28Å; I1064-V1095 HydrophobicContact CD1-CB 4.03Å; I1064-V1095 HydrophobicContact CD1-CG2 4.28Å; I1064-V1095 WeakPolarHBondContact CD1-O 3.31Å; I1064-Q1100 HydrophobicContact CG1-CB 4.41Å; I1064-T1103 HydrophobicContact CD1-CG2 4.12Å; I1064-T1103 WeakPolarHBondContact CD1-OG1 3.41Å |
| 1065 | C | 93.4 | Very high | 77.2 | Confident | 6 Ų | 6 | 61.1 Ų | 61.1 | 4% | 0.041 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 138.8 | -173.1 | -171.7 | 0 | 0 | 0 | 0 | 111 | L1050 T1051 K1067 D1085 L1086 | L1050-C1065 WeakPolarHBondContact CA-O 3.47Å; T1051-C1065 PolarHBondContact N-O 3.48Å; T1051-C1065 PolarHBondContact O-N 2.84Å; T1051-C1065 PolarHBondContact OG1-O 3.37Å; C1065-K1067 PolarHBondContact O-N 3.03Å; C1065-D1085 CarbonylContact C-O 3.48Å; C1065-D1085 WeakPolarHBondContact CA-O 3.29Å; C1065-L1086 HydrophobicContact CB-CD2 4.09Å |
| 1066 | V | 95 | Very high | 79.3 | Confident | 2 Ų | 2 | 62.2 Ų | 62.2 | 1% | 0.012 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 124.4 | 165.9 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | F1048 S1049 L1050 I1069 L1081 G1084 D1085 | F1048-V1066 HydrophobicContact CB-CG1 4.28Å; F1048-V1066 HydrophobicContact CD2-CG1 4.45Å; F1048-V1066 HydrophobicContact CD2-CG2 4.24Å; S1049-V1066 WeakPolarHBondContact O-CA 3.33Å; L1050-V1066 HydrophobicContact CD2-CG2 4.17Å; V1066-I1069 HydrophobicContact CG1-CG1 4.29Å; V1066-L1081 HydrophobicContact CG1-CD2 4.23Å; V1066-L1081 HydrophobicContact CG2-CD1 4.12Å; V1066-L1081 HydrophobicContact CG2-CD2 4.11Å; V1066-L1081 HydrophobicContact CG2-CG 4.23Å; V1066-G1084 PolarHBondContact O-N 3.28Å; V1066-D1085 HydrophobicContact CB-CB 4.29Å; V1066-D1085 HydrophobicContact CG2-CB 4.03Å; V1066-D1085 PolarHBondContact N-O 2.85Å |
| 1067 | K | 93.5 | Very high | 81.4 | Confident | 129 Ų | 129 | 61.1 Ų | 61.1 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94 | -66.2 | -178.9 | -164 | -154.4 | 176.1 | -172.3 | 0 | 111.1 | S1049 T1051 C1065 | S1049-K1067 PolarHBondContact O-N 2.92Å; T1051-K1067 HydrophobicContact CG2-CB 3.84Å; T1051-K1067 HydrophobicContact CG2-CD 3.8Å; T1051-K1067 HydrophobicContact CG2-CG 3.89Å; C1065-K1067 PolarHBondContact O-N 3.03Å |
| 1068 | N | 92.5 | Very high | 83.4 | Confident | 82 Ų | 82 | 61.2 Ų | 61.2 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 146.1 | 177.2 | -60.1 | 49.4 | 0 | 0 | 0 | 109.6 | F1048 S1049 | F1048-N1068 WeakPolarHBondContact CA-O 3.43Å; S1049-N1068 PolarHBondContact N-O 3.29Å; S1049-N1068 WeakPolarHBondContact OG-CA 3.27Å; S1049-N1068 WeakPolarHBondContact OG-CB 3.32Å; S1049-N1068 PolarHBondContact OG-N 3.15Å; S1049-N1068 PolarHBondContact OG-O 2.82Å |
| 1069 | I | 93.7 | Very high | 85.6 | Confident | 38 Ų | 38 | 55.2 Ų | 55.2 | 20% | 0.195 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 146.3 | 163.3 | -62 | 180 | 0 | 0 | 0 | 107.6 | F1048 V1066 A1075 L1076 L1081 | F1048-I1069 HydrophobicContact CB-CG1 4.37Å; V1066-I1069 HydrophobicContact CG1-CG1 4.29Å; I1069-A1075 HydrophobicContact CG2-CB 4.18Å; I1069-L1076 HydrophobicContact CG2-CB 3.82Å; I1069-L1076 HydrophobicContact CG2-CD1 4.26Å; I1069-L1081 HydrophobicContact CD1-CB 4.06Å; I1069-L1081 HydrophobicContact CD1-CD2 4.46Å; I1069-L1081 HydrophobicContact CD1-CG 4.3Å; I1069-L1081 WeakPolarHBondContact CD1-O 3.29Å |
| 1070 | L | 92.7 | Very high | 87.4 | Confident | 82 Ų | 82 | 56.4 Ų | 56.4 | 43% | 0.429 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 140.7 | -171.8 | -56.6 | 177.1 | 0 | 0 | 0 | 111.4 | G1047 G1073 | G1047-L1070 PolarHBondContact O-N 3.33Å; L1070-G1073 PolarHBondContact O-N 3.48Å |
| 1071 | P | 88.4 | Confident | 89.2 | Confident | 114 Ų | 114 | 54.2 Ų | 54.2 | 74% | 0.74 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 141.9 | 174.7 | 26.6 | -34.4 | 0 | 0 | 0 | 111.3 | G1073 | P1071-G1073 PolarHBondContact O-N 2.89Š|
| 1072 | G | 85.3 | Confident | 90.6 | Very high | 53 Ų | 53 | 54.2 Ų | 54.2 | 55% | 0.546 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 3.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1073 | G | 89.7 | Confident | 91.8 | Very high | 4 Ų | 4 | 52.9 Ų | 52.9 | 4% | 0.041 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -87.4 | 153.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1070 P1071 A1075 L1076 I1077 | L1070-G1073 PolarHBondContact O-N 3.48Å; P1071-G1073 PolarHBondContact O-N 2.89Å; G1073-A1075 VanDerWaalsContact C-N 3.3Å; G1073-A1075 PolarHBondContact O-N 3.39Å; G1073-L1076 WeakPolarHBondContact O-CB 3.28Å; G1073-L1076 PolarHBondContact O-N 2.78Å; G1073-I1077 PolarHBondContact O-N 3.16Å |
| 1074 | A | 91.9 | Very high | 92 | Very high | 15 Ų | 15 | 53.1 Ų | 53.1 | 12% | 0.124 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -53.1 | -40.7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1040 L1076 I1077 D1078 | C1040-A1074 WeakPolarHBondContact O-CB 3.48Å; A1074-L1076 VanDerWaalsContact C-N 3.26Å; A1074-L1076 PolarHBondContact O-N 3.19Å; A1074-I1077 PolarHBondContact O-N 2.72Å; A1074-D1078 WeakPolarHBondContact O-CB 3.43Å; A1074-D1078 PolarHBondContact O-N 3.1Å |
| 1075 | A | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -64.9 | -22.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L1039 L1046 F1048 I1069 G1073 G1079 L1081 | L1039-A1075 HydrophobicContact CD1-CB 3.78Å; L1046-A1075 VanDerWaalsContact O-CB 3.27Å; L1046-A1075 WeakPolarHBondContact O-CB 3.26Å; L1046-A1075 PolarHBondContact O-N 3.26Å; F1048-A1075 HydrophobicContact CB-CB 4.25Å; F1048-A1075 HydrophobicContact CD1-CB 3.91Å; I1069-A1075 HydrophobicContact CG2-CB 4.18Å; G1073-A1075 VanDerWaalsContact C-N 3.3Å; G1073-A1075 PolarHBondContact O-N 3.39Å; A1075-G1079 PolarHBondContact O-N 2.76Å; A1075-G1079 VanDerWaalsContact O-N 3.1Å; A1075-L1081 HydrophobicContact CB-CB 4.28Å; A1075-L1081 HydrophobicContact CB-CD2 3.76Å |
| 1076 | L | 91.6 | Very high | 92.2 | Very high | 94 Ų | 94 | 54.7 Ų | 54.7 | 49% | 0.492 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -82.2 | -39.3 | 172.6 | -172.5 | 62.1 | 0 | 0 | 0 | 111.3 | I1069 G1073 A1074 G1079 | I1069-L1076 HydrophobicContact CG2-CB 3.82Å; I1069-L1076 HydrophobicContact CG2-CD1 4.26Å; G1073-L1076 WeakPolarHBondContact O-CB 3.28Å; G1073-L1076 PolarHBondContact O-N 2.78Å; A1074-L1076 VanDerWaalsContact C-N 3.26Å; A1074-L1076 PolarHBondContact O-N 3.19Å; L1076-G1079 PolarHBondContact O-N 2.63Å |
| 1077 | I | 89.6 | Confident | 92.2 | Very high | 136 Ų | 136 | 54.6 Ų | 54.6 | 70% | 0.697 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -65.2 | -44.3 | 178.8 | -62.3 | 168.5 | 0 | 0 | 0 | 110.9 | G1073 A1074 | G1073-I1077 PolarHBondContact O-N 3.16Å; A1074-I1077 PolarHBondContact O-N 2.72Å |
| 1078 | D | 92 | Very high | 92.1 | Very high | 50 Ų | 50 | 49.4 Ų | 49.4 | 27% | 0.267 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -68.9 | -40.7 | 170.4 | 163.4 | 86.9 | 0 | 0 | 0 | 112 | L1039 A1074 Q1080 | L1039-D1078 HydrophobicContact CD2-CB 3.38Å; L1039-D1078 VanDerWaalsContact CD2-CG 3.41Å; L1039-D1078 WeakPolarHBondContact CD2-OD2 3.35Å; A1074-D1078 WeakPolarHBondContact O-CB 3.43Å; A1074-D1078 PolarHBondContact O-N 3.1Å; D1078-Q1080 PolarHBondContact O-N 3.4Å; D1078-Q1080 PolarHBondContact OD1-NE2 2.66Å; D1078-Q1080 WeakPolarHBondContact OD2-CB 3.32Å; D1078-Q1080 WeakPolarHBondContact OD2-CG 3.26Å; D1078-Q1080 PolarHBondContact OD2-N 2.81Å |
| 1079 | G | 92 | Very high | 92.1 | Very high | 15 Ų | 15 | 50 Ų | 50 | 16% | 0.155 | 29% | 0.287 | C | S | . | . | trans | 67.4 | 4.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | A1075 L1076 K1350 | A1075-G1079 PolarHBondContact O-N 2.76Å; A1075-G1079 VanDerWaalsContact O-N 3.1Å; L1076-G1079 PolarHBondContact O-N 2.63Å; G1079-K1350 PolarHBondContact O-NZ 3.18Å | ||
| 1080 | Q | 92.2 | Very high | 92.2 | Very high | 99 Ų | 99 | 48.2 Ų | 48.2 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | trans | -81.2 | -29.6 | 177.2 | -56 | -175.6 | 72.1 | 0 | 0 | 112.2 | I1037 D1078 R1122 | I1037-Q1080 HydrophobicContact CD1-CB 4.23Å; I1037-Q1080 HydrophobicContact CG1-CB 4.04Å; I1037-Q1080 HydrophobicContact CG2-CB 4.05Å; D1078-Q1080 PolarHBondContact O-N 3.4Å; D1078-Q1080 PolarHBondContact OD1-NE2 2.66Å; D1078-Q1080 WeakPolarHBondContact OD2-CB 3.32Å; D1078-Q1080 WeakPolarHBondContact OD2-CG 3.26Å; D1078-Q1080 PolarHBondContact OD2-N 2.81Å; Q1080-R1122 PolarHBondContact O-NH2 2.93Å | ||
| 1081 | L | 94.9 | Very high | 92.1 | Very high | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | trans | -71.9 | 148.5 | 175.5 | -160.7 | 70.9 | 0 | 0 | 0 | 110.8 | I1037 F1048 V1066 I1069 A1075 D1085 L1118 V1120 | I1037-L1081 HydrophobicContact CD1-CB 4.19Å; I1037-L1081 HydrophobicContact CD1-CD1 3.65Å; F1048-L1081 HydrophobicContact CB-CD2 3.88Å; F1048-L1081 HydrophobicContact CD1-CD2 3.59Å; F1048-L1081 HydrophobicContact CD2-CD2 4.18Å; F1048-L1081 HydrophobicContact CE1-CD2 4.11Å; F1048-L1081 HydrophobicContact CG-CD2 3.62Å; V1066-L1081 HydrophobicContact CG1-CD2 4.23Å; V1066-L1081 HydrophobicContact CG2-CD1 4.12Å; V1066-L1081 HydrophobicContact CG2-CD2 4.11Å; V1066-L1081 HydrophobicContact CG2-CG 4.23Å; I1069-L1081 HydrophobicContact CD1-CB 4.06Å; I1069-L1081 HydrophobicContact CD1-CD2 4.46Å; I1069-L1081 HydrophobicContact CD1-CG 4.3Å; I1069-L1081 WeakPolarHBondContact CD1-O 3.29Å; A1075-L1081 HydrophobicContact CB-CB 4.28Å; A1075-L1081 HydrophobicContact CB-CD2 3.76Å; L1081-D1085 HydrophobicContact CD1-CB 4.43Å; L1081-L1118 HydrophobicContact CD1-CD1 4.47Å; L1081-V1120 HydrophobicContact CD1-CG1 3.87Å | ||
| 1082 | K | 93.5 | Very high | 92.1 | Very high | 92 Ų | 92 | 47.4 Ų | 47.4 | 40% | 0.4 | 27% | 0.268 | S | S | . | . | trans | -135.5 | 149.6 | 177.2 | -66.4 | -172.8 | -179.6 | -168.3 | 0 | 112.2 | G1084 D1085 | K1082-G1084 PolarHBondContact O-N 2.96Å; K1082-D1085 PolarHBondContact N-OD2 2.77Å; K1082-D1085 WeakPolarHBondContact O-CB 3.13Å; K1082-D1085 VanDerWaalsContact O-CG 3.3Å; K1082-D1085 PolarHBondContact O-N 2.85Å | ||
| 1083 | P | 93.5 | Very high | 92.3 | Very high | 76 Ų | 76 | 48.4 Ų | 48.4 | 49% | 0.494 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | 137.2 | 161.6 | -26.8 | 37.3 | 0 | 0 | 0 | 111.3 | ||
| 1084 | G | 91 | Very high | 92.4 | Very high | 23 Ų | 23 | 50.3 Ų | 50.3 | 24% | 0.237 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | V1066 K1082 L1086 | V1066-G1084 PolarHBondContact O-N 3.28Å; K1082-G1084 PolarHBondContact O-N 2.96Å; G1084-L1086 PolarHBondContact O-N 3.41Å |
| 1085 | D | 94.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.011 | 26% | 0.263 | C | S | . | . | trans | -64 | 128.6 | 174.5 | -79.9 | -21.8 | 0 | 0 | 0 | 111.7 | C1065 V1066 L1081 K1082 V1120 R1122 | C1065-D1085 CarbonylContact C-O 3.48Å; C1065-D1085 WeakPolarHBondContact CA-O 3.29Å; V1066-D1085 HydrophobicContact CB-CB 4.29Å; V1066-D1085 HydrophobicContact CG2-CB 4.03Å; V1066-D1085 PolarHBondContact N-O 2.85Å; L1081-D1085 HydrophobicContact CD1-CB 4.43Å; K1082-D1085 PolarHBondContact N-OD2 2.77Å; K1082-D1085 WeakPolarHBondContact O-CB 3.13Å; K1082-D1085 VanDerWaalsContact O-CG 3.3Å; K1082-D1085 PolarHBondContact O-N 2.85Å; D1085-V1120 HydrophobicContact CB-CB 4.04Å; D1085-V1120 HydrophobicContact CB-CG1 4.21Å; D1085-V1120 HydrophobicContact CB-CG2 4.25Å; D1085-R1122 IonicContact OD1-CZ 2.75Å; D1085-R1122 IonicContact OD1-NE 3.64Å; D1085-R1122 PolarHBondContact OD1-NE 3.12Å; D1085-R1122 IonicContact OD1-NH2 3.74Å; D1085-R1122 PolarHBondContact OD1-NH2 3.14Å; D1085-R1122 IonicContact OD2-CZ 3.43Å; D1085-R1122 IonicContact OD2-NE 2.74Å; D1085-R1122 IonicContact OD2-NH2 3.26Å; D1085-R1122 PolarHBondContact OD2-NH2 3.44Å | ||
| 1086 | L | 93.2 | Very high | 91.8 | Very high | 37 Ų | 37 | 50.8 Ų | 50.8 | 19% | 0.194 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 111.6 | 178 | -48.9 | 178.1 | 0 | 0 | 0 | 109.2 | V1063 I1064 C1065 G1084 M1088 V1120 K1121 | V1063-L1086 HydrophobicContact CG1-CB 4.07Å; V1063-L1086 HydrophobicContact CG1-CD1 4.08Å; V1063-L1086 HydrophobicContact CG1-CD2 3.87Å; V1063-L1086 HydrophobicContact CG1-CG 4.22Å; I1064-L1086 CarbonylContact O-C 3.55Å; I1064-L1086 WeakPolarHBondContact O-CA 3.39Å; C1065-L1086 HydrophobicContact CB-CD2 4.09Å; G1084-L1086 PolarHBondContact O-N 3.41Å; L1086-M1088 HydrophobicContact CB-CE 4.03Å; L1086-M1088 PolarHBondContact O-N 2.84Å; L1086-V1120 CarbonylContact O-C 3.58Å; L1086-V1120 VanDerWaalsContact O-CA 3.28Å; L1086-V1120 WeakPolarHBondContact O-CA 3.42Å; L1086-K1121 HydrophobicContact CB-CB 4.3Å; L1086-K1121 WeakPolarHBondContact CB-O 3.32Å; L1086-K1121 WeakPolarHBondContact CG-O 3.15Å; L1086-K1121 PolarHBondContact N-O 2.87Å; L1086-K1121 VanDerWaalsContact N-O 3.12Å; L1086-K1121 PolarHBondContact O-N 3.36Å |
| 1087 | L | 94.3 | Very high | 91.3 | Very high | 1 Ų | 1 | 53.2 Ų | 53.2 | 1% | 0.005 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 126.7 | 179.7 | -171.3 | 63.2 | 0 | 0 | 0 | 109.9 | L1050 I1064 V1090 V1095 T1103 L1107 L1118 V1120 | L1050-L1087 HydrophobicContact CD1-CD2 4.04Å; L1050-L1087 HydrophobicContact CD2-CD2 4.29Å; I1064-L1087 HydrophobicContact CG2-CB 4.26Å; I1064-L1087 PolarHBondContact O-N 3.28Å; L1087-V1090 HydrophobicContact CD1-CG2 4.18Å; L1087-V1090 HydrophobicContact CD2-CG2 3.79Å; L1087-V1090 HydrophobicContact CG-CG2 4.21Å; L1087-V1095 VanDerWaalsContact C-CG2 3.42Å; L1087-V1095 HydrophobicContact CB-CG2 4.07Å; L1087-V1095 HydrophobicContact CD2-CG1 4.36Å; L1087-V1095 HydrophobicContact CD2-CG2 4.24Å; L1087-V1095 HydrophobicContact CG-CG1 4.48Å; L1087-V1095 HydrophobicContact CG-CG2 3.75Å; L1087-V1095 WeakPolarHBondContact O-CG2 3.18Å; L1087-T1103 HydrophobicContact CD2-CG2 3.94Å; L1087-L1107 HydrophobicContact CD2-CD1 4.36Å; L1087-L1118 HydrophobicContact CD1-CB 3.95Å; L1087-L1118 HydrophobicContact CD1-CD2 4.08Å; L1087-L1118 HydrophobicContact CD1-CG 4.45Å; L1087-V1120 HydrophobicContact CD1-CG1 3.89Å |
| 1088 | M | 92.2 | Very high | 91 | Very high | 20 Ų | 20 | 48.7 Ų | 48.7 | 10% | 0.099 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | -42 | -175.8 | -58.6 | -79.2 | 91.8 | 0 | 0 | 112.5 | Y1034 V1063 L1086 N1094 V1095 N1096 V1119 K1121 | Y1034-M1088 HydrophobicContact CD1-CG 4.22Å; Y1034-M1088 HydrophobicContact CE1-CB 4.5Å; Y1034-M1088 HydrophobicContact CE1-CG 3.82Å; Y1034-M1088 HydrophobicContact CE1-SD 4.07Å; V1063-M1088 HydrophobicContact CG1-CE 4.48Å; L1086-M1088 HydrophobicContact CB-CE 4.03Å; L1086-M1088 PolarHBondContact O-N 2.84Å; M1088-N1094 PolarHBondContact O-OD1 2.94Å; M1088-V1095 PolarHBondContact O-N 2.84Å; M1088-N1096 VanDerWaalsContact CE-OD1 3.29Å; M1088-N1096 WeakPolarHBondContact CE-OD1 3.29Å; M1088-V1119 WeakPolarHBondContact CA-O 3.21Å; M1088-V1119 HydrophobicContact CB-CG1 4.44Å; M1088-V1119 WeakPolarHBondContact CB-O 3.33Å; M1088-V1119 PolarHBondContact N-O 3Å; M1088-K1121 HydrophobicContact CG-CB 3.57Å; M1088-K1121 HydrophobicContact SD-CB 3.79Å; M1088-K1121 HydrophobicContact SD-CD 4.02Å |
| 1089 | K | 93.3 | Very high | 90.7 | Very high | 95 Ų | 95 | 47.4 Ų | 47.4 | 41% | 0.413 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 154.8 | 173.2 | -53.2 | -171.5 | 178.7 | -175.7 | 0 | 112.4 | I1093 L1118 V1119 | K1089-I1093 CarbonylContact C-O 2.8Å; K1089-I1093 WeakPolarHBondContact CA-O 3.48Å; K1089-I1093 WeakPolarHBondContact CB-O 3.25Å; K1089-L1118 WeakPolarHBondContact O-CA 3.45Å; K1089-V1119 HydrophobicContact CB-CB 3.93Å; K1089-V1119 HydrophobicContact CB-CG2 4.04Å; K1089-V1119 HydrophobicContact CG-CB 4.33Å; K1089-V1119 PolarHBondContact N-O 3.45Å; K1089-V1119 VanDerWaalsContact N-O 3.08Å; K1089-V1119 PolarHBondContact O-N 3.11Å |
| 1090 | V | 94.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 115.5 | 169.8 | 175 | 0 | 0 | 0 | 0 | 107.6 | L1087 N1092 I1093 V1095 L1106 L1107 V1116 T1117 L1118 | L1087-V1090 HydrophobicContact CD1-CG2 4.18Å; L1087-V1090 HydrophobicContact CD2-CG2 3.79Å; L1087-V1090 HydrophobicContact CG-CG2 4.21Å; V1090-N1092 VanDerWaalsContact C-N 3.28Å; V1090-N1092 PolarHBondContact O-N 3.27Å; V1090-I1093 PolarHBondContact N-O 3.23Å; V1090-I1093 WeakPolarHBondContact O-CB 3.43Å; V1090-I1093 PolarHBondContact O-N 2.91Å; V1090-V1095 HydrophobicContact CB-CG1 4.13Å; V1090-V1095 HydrophobicContact CG2-CG1 3.6Å; V1090-L1106 HydrophobicContact CB-CD2 3.91Å; V1090-L1106 HydrophobicContact CG1-CD2 3.87Å; V1090-L1106 HydrophobicContact CG1-CG 4.13Å; V1090-L1107 HydrophobicContact CB-CD2 4.45Å; V1090-L1107 HydrophobicContact CG1-CD2 3.62Å; V1090-L1107 HydrophobicContact CG1-CG 4.41Å; V1090-L1107 HydrophobicContact CG2-CD2 3.9Å; V1090-L1107 HydrophobicContact CG2-CG 4.4Å; V1090-V1116 HydrophobicContact CG1-CG1 3.96Å; V1090-T1117 CarbonylContact C-O 2.71Å; V1090-T1117 WeakPolarHBondContact CA-O 3.25Å; V1090-L1118 HydrophobicContact CG1-CD2 4.39Å; V1090-L1118 HydrophobicContact CG2-CD2 3.85Å |
| 1091 | D | 90.7 | Very high | 90.4 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 17% | 0.171 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 48.9 | 179.6 | -58.3 | -39.6 | 0 | 0 | 0 | 113.4 | I1093 K1110 T1117 | D1091-I1093 VanDerWaalsContact C-N 3.29Å; D1091-I1093 PolarHBondContact O-N 3.39Å; D1091-K1110 WeakPolarHBondContact OD2-CD 3.2Å; D1091-K1110 WeakPolarHBondContact OD2-CE 3.36Å; D1091-K1110 IonicContact OD2-NZ 2.78Å; D1091-K1110 PolarHBondContact OD2-NZ 2.74Å; D1091-T1117 PolarHBondContact N-O 3.47Å; D1091-T1117 WeakPolarHBondContact OD1-CB 3.42Å; D1091-T1117 PolarHBondContact OD1-N 2.77Å |
| 1092 | N | 88.7 | Confident | 90.2 | Very high | 147 Ų | 147 | 53.1 Ų | 53.1 | 79% | 0.786 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -11.9 | -174.5 | -52.7 | -50.3 | 0 | 0 | 0 | 117.2 | V1090 | V1090-N1092 VanDerWaalsContact C-N 3.28Å; V1090-N1092 PolarHBondContact O-N 3.27Å |
| 1093 | I | 90.2 | Very high | 90.1 | Very high | 74 Ų | 74 | 48.8 Ų | 48.8 | 38% | 0.379 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 126.4 | 177 | -59.8 | 167.2 | 0 | 0 | 0 | 110.2 | K1089 V1090 D1091 V1095 I1098 L1106 | K1089-I1093 CarbonylContact C-O 2.8Å; K1089-I1093 WeakPolarHBondContact CA-O 3.48Å; K1089-I1093 WeakPolarHBondContact CB-O 3.25Å; V1090-I1093 PolarHBondContact N-O 3.23Å; V1090-I1093 WeakPolarHBondContact O-CB 3.43Å; V1090-I1093 PolarHBondContact O-N 2.91Å; D1091-I1093 VanDerWaalsContact C-N 3.29Å; D1091-I1093 PolarHBondContact O-N 3.39Å; I1093-V1095 PolarHBondContact O-N 2.81Å; I1093-I1098 HydrophobicContact CG2-CD1 3.6Å; I1093-I1098 HydrophobicContact CG2-CG1 4.05Å; I1093-L1106 HydrophobicContact CB-CD2 4.06Å; I1093-L1106 HydrophobicContact CD1-CD1 3.81Å; I1093-L1106 HydrophobicContact CD1-CD2 3.72Å; I1093-L1106 HydrophobicContact CD1-CG 4.44Å; I1093-L1106 HydrophobicContact CG1-CD2 4.48Å; I1093-L1106 HydrophobicContact CG2-CD2 4.16Å |
| 1094 | N | 90.6 | Very high | 90.1 | Very high | 44 Ų | 44 | 47 Ų | 47 | 24% | 0.235 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 112.5 | 178.5 | -175.4 | 4.9 | 0 | 0 | 0 | 111.3 | M1088 N1096 E1097 | M1088-N1094 PolarHBondContact O-OD1 2.94Å; N1094-N1096 VanDerWaalsContact C-N 3.3Å; N1094-N1096 PolarHBondContact O-N 3.35Å; N1094-N1096 WeakPolarHBondContact OD1-CB 3.29Å; N1094-N1096 PolarHBondContact OD1-N 2.93Å; N1094-N1096 PolarHBondContact OD1-ND2 3.29Å; N1094-E1097 HydrophobicContact CB-CG 4.48Å; N1094-E1097 PolarHBondContact ND2-OE1 3.46Å; N1094-E1097 PolarHBondContact O-N 3.18Å |
| 1095 | V | 89.4 | Confident | 90.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -15.9 | -173.8 | -62.1 | 0 | 0 | 0 | 0 | 114.2 | I1064 L1087 M1088 V1090 I1093 E1097 I1098 T1103 | I1064-V1095 HydrophobicContact CD1-CB 4.03Å; I1064-V1095 HydrophobicContact CD1-CG2 4.28Å; I1064-V1095 WeakPolarHBondContact CD1-O 3.31Å; L1087-V1095 VanDerWaalsContact C-CG2 3.42Å; L1087-V1095 HydrophobicContact CB-CG2 4.07Å; L1087-V1095 HydrophobicContact CD2-CG1 4.36Å; L1087-V1095 HydrophobicContact CD2-CG2 4.24Å; L1087-V1095 HydrophobicContact CG-CG1 4.48Å; L1087-V1095 HydrophobicContact CG-CG2 3.75Å; L1087-V1095 WeakPolarHBondContact O-CG2 3.18Å; M1088-V1095 PolarHBondContact O-N 2.84Å; V1090-V1095 HydrophobicContact CB-CG1 4.13Å; V1090-V1095 HydrophobicContact CG2-CG1 3.6Å; I1093-V1095 PolarHBondContact O-N 2.81Å; V1095-E1097 PolarHBondContact O-N 3.32Å; V1095-I1098 HydrophobicContact CB-CG1 4.47Å; V1095-I1098 HydrophobicContact CG1-CD1 4.48Å; V1095-I1098 HydrophobicContact CG1-CG1 4.47Å; V1095-I1098 CarbonylContact O-C 3.59Å; V1095-I1098 PolarHBondContact O-N 3.17Å; V1095-T1103 HydrophobicContact CB-CG2 4.08Å; V1095-T1103 WeakPolarHBondContact CB-OG1 3.3Å; V1095-T1103 HydrophobicContact CG1-CG2 3.7Å; V1095-T1103 WeakPolarHBondContact CG1-OG1 3.42Å |
| 1096 | N | 84.7 | Confident | 90 | Very high | 24 Ų | 24 | 48.9 Ų | 48.9 | 13% | 0.128 | 27% | 0.265 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -19.9 | 173.8 | -59.3 | -78.2 | 0 | 0 | 0 | 112.3 | M1088 N1094 | M1088-N1096 VanDerWaalsContact CE-OD1 3.29Å; M1088-N1096 WeakPolarHBondContact CE-OD1 3.29Å; N1094-N1096 VanDerWaalsContact C-N 3.3Å; N1094-N1096 PolarHBondContact O-N 3.35Å; N1094-N1096 WeakPolarHBondContact OD1-CB 3.29Å; N1094-N1096 PolarHBondContact OD1-N 2.93Å; N1094-N1096 PolarHBondContact OD1-ND2 3.29Å |
| 1097 | E | 82.5 | Confident | 90 | Very high | 146 Ų | 146 | 47.9 Ų | 47.9 | 68% | 0.682 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | -37.9 | 176.2 | -65.1 | 165.3 | -142.2 | 0 | 0 | 111.4 | N1094 V1095 G1099 | N1094-E1097 HydrophobicContact CB-CG 4.48Å; N1094-E1097 PolarHBondContact ND2-OE1 3.46Å; N1094-E1097 PolarHBondContact O-N 3.18Å; V1095-E1097 PolarHBondContact O-N 3.32Å; E1097-G1099 PolarHBondContact O-N 3.16Å |
| 1098 | I | 82.3 | Confident | 89.9 | Confident | 41 Ų | 41 | 57 Ų | 57 | 21% | 0.21 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -100.8 | 66.2 | -178.4 | 59 | 152.5 | 0 | 0 | 0 | 113.1 | I1093 V1095 Q1102 T1103 L1106 | I1093-I1098 HydrophobicContact CG2-CD1 3.6Å; I1093-I1098 HydrophobicContact CG2-CG1 4.05Å; V1095-I1098 HydrophobicContact CB-CG1 4.47Å; V1095-I1098 HydrophobicContact CG1-CD1 4.48Å; V1095-I1098 HydrophobicContact CG1-CG1 4.47Å; V1095-I1098 CarbonylContact O-C 3.59Å; V1095-I1098 PolarHBondContact O-N 3.17Å; I1098-Q1102 HydrophobicContact CB-CB 3.92Å; I1098-T1103 PolarHBondContact O-N 3.37Å; I1098-T1103 PolarHBondContact O-OG1 2.88Å; I1098-L1106 HydrophobicContact CD1-CD2 3.76Å |
| 1099 | G | 86.1 | Confident | 89.9 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 24% | 0.237 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -44 | 143.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | E1097 A1101 Q1102 | E1097-G1099 PolarHBondContact O-N 3.16Å; G1099-A1101 VanDerWaalsContact C-N 3.32Å; G1099-A1101 PolarHBondContact O-N 2.61Å; G1099-Q1102 PolarHBondContact O-N 3.12Å |
| 1100 | Q | 90 | Very high | 89.8 | Confident | 63 Ų | 63 | 58.3 Ų | 58.3 | 29% | 0.294 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -7.8 | -57.3 | -167.3 | -167 | -174.2 | -0.5 | 0 | 0 | 118.5 | L1050 S1052 I1064 Q1102 T1103 V1104 | L1050-Q1100 PolarHBondContact O-NE2 3.17Å; S1052-Q1100 VanDerWaalsContact N-OE1 3.15Å; S1052-Q1100 WeakPolarHBondContact OG-CB 3.47Å; S1052-Q1100 PolarHBondContact OG-OE1 3.09Å; I1064-Q1100 HydrophobicContact CG1-CB 4.41Å; Q1100-Q1102 VanDerWaalsContact C-N 3.32Å; Q1100-Q1102 PolarHBondContact O-N 3.08Å; Q1100-T1103 PolarHBondContact O-N 3.09Å; Q1100-V1104 HydrophobicContact CG-CG2 4.41Å; Q1100-V1104 WeakPolarHBondContact O-CB 3.29Å; Q1100-V1104 WeakPolarHBondContact O-CG2 3.39Å; Q1100-V1104 PolarHBondContact O-N 3.3Å |
| 1101 | A | 88.5 | Confident | 89.5 | Confident | 59 Ų | 59 | 61.3 Ų | 61.3 | 49% | 0.488 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.4 | -39.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G1099 A1105 | G1099-A1101 VanDerWaalsContact C-N 3.32Å; G1099-A1101 PolarHBondContact O-N 2.61Å; A1101-A1105 PolarHBondContact O-N 3.25Å; A1101-A1105 VanDerWaalsContact O-N 3.09Å |
| 1102 | Q | 89.7 | Confident | 89.5 | Confident | 117 Ų | 117 | 62.3 Ų | 62.3 | 55% | 0.547 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -74.3 | -40.3 | 176 | -72.5 | 176.3 | -31.5 | 0 | 0 | 111.7 | I1098 G1099 Q1100 V1104 A1105 L1106 | I1098-Q1102 HydrophobicContact CB-CB 3.92Å; G1099-Q1102 PolarHBondContact O-N 3.12Å; Q1100-Q1102 VanDerWaalsContact C-N 3.32Å; Q1100-Q1102 PolarHBondContact O-N 3.08Å; Q1102-V1104 PolarHBondContact O-N 2.91Å; Q1102-A1105 WeakPolarHBondContact O-CB 3.48Å; Q1102-A1105 PolarHBondContact O-N 3.04Å; Q1102-L1106 PolarHBondContact O-N 3.06Å |
| 1103 | T | 92.2 | Very high | 89.6 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.7 | -41.5 | 173.3 | -68.7 | 0 | 0 | 0 | 0 | 112.5 | L1050 I1064 L1087 V1095 I1098 Q1100 A1105 L1106 L1107 | L1050-T1103 HydrophobicContact CD1-CG2 3.89Å; I1064-T1103 HydrophobicContact CD1-CG2 4.12Å; I1064-T1103 WeakPolarHBondContact CD1-OG1 3.41Å; L1087-T1103 HydrophobicContact CD2-CG2 3.94Å; V1095-T1103 HydrophobicContact CB-CG2 4.08Å; V1095-T1103 WeakPolarHBondContact CB-OG1 3.3Å; V1095-T1103 HydrophobicContact CG1-CG2 3.7Å; V1095-T1103 WeakPolarHBondContact CG1-OG1 3.42Å; I1098-T1103 PolarHBondContact O-N 3.37Å; I1098-T1103 PolarHBondContact O-OG1 2.88Å; Q1100-T1103 PolarHBondContact O-N 3.09Å; T1103-A1105 VanDerWaalsContact C-N 3.35Å; T1103-L1106 PolarHBondContact O-N 3.11Å; T1103-L1107 HydrophobicContact CG2-CD1 4.05Å; T1103-L1107 WeakPolarHBondContact O-CG 3.11Å; T1103-L1107 PolarHBondContact O-N 2.89Å |
| 1104 | V | 93 | Very high | 89.6 | Confident | 38 Ų | 38 | 60.5 Ų | 60.5 | 23% | 0.23 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.1 | -35.8 | 174.6 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | L1050 Q1100 Q1102 R1108 | L1050-V1104 HydrophobicContact CD1-CG2 4.27Å; Q1100-V1104 HydrophobicContact CG-CG2 4.41Å; Q1100-V1104 WeakPolarHBondContact O-CB 3.29Å; Q1100-V1104 WeakPolarHBondContact O-CG2 3.39Å; Q1100-V1104 PolarHBondContact O-N 3.3Å; Q1102-V1104 PolarHBondContact O-N 2.91Å; V1104-R1108 VanDerWaalsContact O-CB 3.29Å; V1104-R1108 WeakPolarHBondContact O-CB 3.31Å; V1104-R1108 WeakPolarHBondContact O-CG 3.5Å; V1104-R1108 PolarHBondContact O-N 2.9Å |
| 1105 | A | 90.9 | Very high | 89.7 | Confident | 42 Ų | 42 | 62.9 Ų | 62.9 | 35% | 0.347 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | A1101 Q1102 T1103 R1108 S1109 | A1101-A1105 PolarHBondContact O-N 3.25Å; A1101-A1105 VanDerWaalsContact O-N 3.09Å; Q1102-A1105 WeakPolarHBondContact O-CB 3.48Å; Q1102-A1105 PolarHBondContact O-N 3.04Å; T1103-A1105 VanDerWaalsContact C-N 3.35Å; A1105-R1108 CarbonylContact O-C 3.59Å; A1105-R1108 PolarHBondContact O-N 2.82Å; A1105-S1109 PolarHBondContact O-N 2.92Å; A1105-S1109 PolarHBondContact O-OG 2.83Å |
| 1106 | L | 92.4 | Very high | 90 | Very high | 24 Ų | 24 | 62.9 Ų | 62.9 | 13% | 0.126 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.2 | -46.3 | 176.3 | 174.9 | 62.8 | 0 | 0 | 0 | 112.4 | V1090 I1093 I1098 Q1102 T1103 R1108 S1109 K1110 | V1090-L1106 HydrophobicContact CB-CD2 3.91Å; V1090-L1106 HydrophobicContact CG1-CD2 3.87Å; V1090-L1106 HydrophobicContact CG1-CG 4.13Å; I1093-L1106 HydrophobicContact CB-CD2 4.06Å; I1093-L1106 HydrophobicContact CD1-CD1 3.81Å; I1093-L1106 HydrophobicContact CD1-CD2 3.72Å; I1093-L1106 HydrophobicContact CD1-CG 4.44Å; I1093-L1106 HydrophobicContact CG1-CD2 4.48Å; I1093-L1106 HydrophobicContact CG2-CD2 4.16Å; I1098-L1106 HydrophobicContact CD1-CD2 3.76Å; Q1102-L1106 PolarHBondContact O-N 3.06Å; T1103-L1106 PolarHBondContact O-N 3.11Å; L1106-R1108 VanDerWaalsContact C-N 3.27Å; L1106-R1108 PolarHBondContact O-N 3.42Å; L1106-S1109 PolarHBondContact O-N 2.93Å; L1106-S1109 PolarHBondContact O-OG 2.84Å; L1106-S1109 VanDerWaalsContact O-OG 3.11Å; L1106-K1110 WeakPolarHBondContact O-CG 3.24Å; L1106-K1110 PolarHBondContact O-N 3.18Å |
| 1107 | L | 94.1 | Very high | 90.5 | Very high | 15 Ų | 15 | 63.4 Ų | 63.4 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.7 | -28.6 | 176.8 | -67.4 | 167.3 | 0 | 0 | 0 | 112.1 | K1041 L1046 F1048 L1050 L1087 V1090 T1103 V1116 L1118 | K1041-L1107 PolarHBondContact NZ-O 3.28Å; L1046-L1107 HydrophobicContact CD1-CB 4.26Å; L1046-L1107 HydrophobicContact CD1-CD2 3.66Å; L1046-L1107 HydrophobicContact CD1-CG 4.49Å; F1048-L1107 HydrophobicContact CE2-CD1 4.34Å; F1048-L1107 HydrophobicContact CZ-CD1 4.13Å; L1050-L1107 HydrophobicContact CD1-CD1 3.62Å; L1087-L1107 HydrophobicContact CD2-CD1 4.36Å; V1090-L1107 HydrophobicContact CB-CD2 4.45Å; V1090-L1107 HydrophobicContact CG1-CD2 3.62Å; V1090-L1107 HydrophobicContact CG1-CG 4.41Å; V1090-L1107 HydrophobicContact CG2-CD2 3.9Å; V1090-L1107 HydrophobicContact CG2-CG 4.4Å; T1103-L1107 HydrophobicContact CG2-CD1 4.05Å; T1103-L1107 WeakPolarHBondContact O-CG 3.11Å; T1103-L1107 PolarHBondContact O-N 2.89Å; L1107-V1116 HydrophobicContact CD2-CG1 3.96Å; L1107-L1118 HydrophobicContact CD2-CD2 3.9Å |
| 1108 | R | 92.7 | Very high | 91.1 | Very high | 192 Ų | 192 | 56.4 Ų | 56.4 | 73% | 0.725 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -76.7 | -34.2 | 174.3 | -76.9 | 175.4 | 176.4 | -179.5 | -2.4 | 113.1 | K1041 V1104 A1105 L1106 | K1041-R1108 PolarHBondContact NZ-O 3.15Å; V1104-R1108 VanDerWaalsContact O-CB 3.29Å; V1104-R1108 WeakPolarHBondContact O-CB 3.31Å; V1104-R1108 WeakPolarHBondContact O-CG 3.5Å; V1104-R1108 PolarHBondContact O-N 2.9Å; A1105-R1108 CarbonylContact O-C 3.59Å; A1105-R1108 PolarHBondContact O-N 2.82Å; L1106-R1108 VanDerWaalsContact C-N 3.27Å; L1106-R1108 PolarHBondContact O-N 3.42Å |
| 1109 | S | 91.5 | Very high | 91.7 | Very high | 89 Ų | 89 | 55.9 Ų | 55.9 | 62% | 0.622 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -78.7 | -13.8 | -177.9 | 65.3 | 0 | 0 | 0 | 0 | 115.2 | A1105 L1106 | A1105-S1109 PolarHBondContact O-N 2.92Å; A1105-S1109 PolarHBondContact O-OG 2.83Å; L1106-S1109 PolarHBondContact O-N 2.93Å; L1106-S1109 PolarHBondContact O-OG 2.84Å; L1106-S1109 VanDerWaalsContact O-OG 3.11Å |
| 1110 | K | 91.6 | Very high | 92.1 | Very high | 54 Ų | 54 | 54.8 Ų | 54.8 | 24% | 0.235 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -61.1 | 132.7 | 169.3 | -64.6 | -74.8 | 158 | 162.4 | 0 | 110.4 | K1041 D1091 L1106 V1116 | K1041-K1110 HydrophobicContact CD-CB 4.13Å; K1041-K1110 WeakPolarHBondContact CD-O 3.42Å; K1041-K1110 WeakPolarHBondContact CE-O 3.09Å; K1041-K1110 PolarHBondContact NZ-O 3.31Å; D1091-K1110 WeakPolarHBondContact OD2-CD 3.2Å; D1091-K1110 WeakPolarHBondContact OD2-CE 3.36Å; D1091-K1110 IonicContact OD2-NZ 2.78Å; D1091-K1110 PolarHBondContact OD2-NZ 2.74Å; L1106-K1110 WeakPolarHBondContact O-CG 3.24Å; L1106-K1110 PolarHBondContact O-N 3.18Å; K1110-V1116 HydrophobicContact CB-CG2 4.02Å; K1110-V1116 HydrophobicContact CD-CG2 4.34Å; K1110-V1116 HydrophobicContact CG-CG2 3.92Å |
| 1111 | P | 89.1 | Confident | 92.3 | Very high | 63 Ų | 63 | 54.7 Ų | 54.7 | 41% | 0.409 | 30% | 0.3 | S | S | . | . | P | Polyproline II helix | trans | -62.9 | 158.2 | 176.8 | -18.9 | 28.8 | 0 | 0 | 0 | 112.8 | T1114 | P1111-T1114 HydrophobicContact CB-CG2 3.82Å; P1111-T1114 HydrophobicContact CG-CG2 3.92Å; P1111-T1114 PolarHBondContact O-N 2.96Å; P1111-T1114 PolarHBondContact O-OG1 2.88Å |
| 1112 | V | 90.5 | Very high | 92.3 | Very high | 53 Ų | 53 | 53.8 Ų | 53.8 | 32% | 0.321 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | 150.5 | 166.8 | 178.4 | 0 | 0 | 0 | 0 | 108.9 | K1041 T1114 T1880 | K1041-V1112 CarbonylContact O-C 3.43Å; K1041-V1112 WeakPolarHBondContact O-CA 3.28Å; V1112-T1114 PolarHBondContact O-N 2.91Å; V1112-T1114 VanDerWaalsContact O-N 3.17Å; V1112-T1880 HydrophobicContact CB-CG2 4.44Å; V1112-T1880 HydrophobicContact CG2-CG2 4.39Å |
| 1113 | N | 89 | Confident | 91.4 | Very high | 139 Ų | 139 | 50.5 Ų | 50.5 | 74% | 0.743 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.4 | 10.6 | -173.7 | -60.1 | -14.4 | 0 | 0 | 0 | 115.8 | K1041 | K1041-N1113 PolarHBondContact O-N 2.93Š|
| 1114 | T | 91.8 | Very high | 89.6 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 27% | 0.27 | 30% | 0.303 | S | S | . | . | trans | -87.9 | 144.2 | 170.2 | 60.9 | 0 | 0 | 0 | 0 | 112.7 | K1041 P1111 V1112 | K1041-T1114 PolarHBondContact N-O 3.24Å; P1111-T1114 HydrophobicContact CB-CG2 3.82Å; P1111-T1114 HydrophobicContact CG-CG2 3.92Å; P1111-T1114 PolarHBondContact O-N 2.96Å; P1111-T1114 PolarHBondContact O-OG1 2.88Å; V1112-T1114 PolarHBondContact O-N 2.91Å; V1112-T1114 VanDerWaalsContact O-N 3.17Å | ||
| 1115 | L | 91.9 | Very high | 87.1 | Confident | 95 Ų | 95 | 61 Ų | 61 | 50% | 0.497 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 118.6 | 175.1 | -167.5 | 73.6 | 0 | 0 | 0 | 109.9 | H1038 C1040 | H1038-L1115 HydrophobicContact CB-CD1 3.92Å; H1038-L1115 HydrophobicContact CB-CD2 4.27Å; H1038-L1115 HydrophobicContact CB-CG 4.17Å; C1040-L1115 VanDerWaalsContact SG-CD1 3.54Å |
| 1116 | V | 95.1 | Very high | 84.7 | Confident | 0 Ų | 0 | 63.5 Ų | 63.5 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 118.1 | 177.8 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | L1039 K1041 L1046 V1090 L1107 K1110 L1118 | L1039-V1116 PolarHBondContact N-O 3.38Å; L1039-V1116 PolarHBondContact O-N 2.91Å; K1041-V1116 HydrophobicContact CB-CG2 4.49Å; L1046-V1116 HydrophobicContact CD1-CB 4.37Å; L1046-V1116 HydrophobicContact CD1-CG1 4.22Å; L1046-V1116 HydrophobicContact CD1-CG2 4.3Å; L1046-V1116 HydrophobicContact CD2-CB 4.06Å; L1046-V1116 HydrophobicContact CD2-CG2 4.03Å; V1090-V1116 HydrophobicContact CG1-CG1 3.96Å; L1107-V1116 HydrophobicContact CD2-CG1 3.96Å; K1110-V1116 HydrophobicContact CB-CG2 4.02Å; K1110-V1116 HydrophobicContact CD-CG2 4.34Å; K1110-V1116 HydrophobicContact CG-CG2 3.92Å; V1116-L1118 HydrophobicContact CG1-CD2 3.77Å; V1116-L1118 HydrophobicContact CG1-CG 4.5Å |
| 1117 | T | 95.1 | Very high | 81.7 | Confident | 34 Ų | 34 | 66 Ų | 66 | 21% | 0.209 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 107.6 | -179.3 | -58 | 0 | 0 | 0 | 0 | 110.1 | T1036 H1038 V1090 D1091 | T1036-T1117 HydrophobicContact CG2-CG2 3.56Å; H1038-T1117 VanDerWaalsContact CE1-CG2 3.47Å; H1038-T1117 WeakPolarHBondContact CE1-CG2 3.27Å; H1038-T1117 PolarHBondContact ND1-OG1 2.68Å; V1090-T1117 CarbonylContact C-O 2.71Å; V1090-T1117 WeakPolarHBondContact CA-O 3.25Å; D1091-T1117 PolarHBondContact N-O 3.47Å; D1091-T1117 WeakPolarHBondContact OD1-CB 3.42Å; D1091-T1117 PolarHBondContact OD1-N 2.77Å |
| 1118 | L | 95.9 | Very high | 78.9 | Confident | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 125.1 | 177.2 | -52.1 | -179.2 | 0 | 0 | 0 | 109.4 | T1036 I1037 L1039 F1048 L1081 L1087 K1089 V1090 L1107 V1116 | T1036-L1118 CarbonylContact C-O 3.36Å; T1036-L1118 WeakPolarHBondContact CA-O 3.13Å; I1037-L1118 PolarHBondContact N-O 3.33Å; I1037-L1118 PolarHBondContact O-N 3.29Å; L1039-L1118 HydrophobicContact CD1-CD1 3.7Å; L1039-L1118 HydrophobicContact CG-CD1 4.29Å; F1048-L1118 HydrophobicContact CE1-CD1 3.67Å; F1048-L1118 HydrophobicContact CZ-CD1 3.71Å; F1048-L1118 HydrophobicContact CZ-CD2 4.49Å; L1081-L1118 HydrophobicContact CD1-CD1 4.47Å; L1087-L1118 HydrophobicContact CD1-CB 3.95Å; L1087-L1118 HydrophobicContact CD1-CD2 4.08Å; L1087-L1118 HydrophobicContact CD1-CG 4.45Å; K1089-L1118 WeakPolarHBondContact O-CA 3.45Å; V1090-L1118 HydrophobicContact CG1-CD2 4.39Å; V1090-L1118 HydrophobicContact CG2-CD2 3.85Å; L1107-L1118 HydrophobicContact CD2-CD2 3.9Å; V1116-L1118 HydrophobicContact CG1-CD2 3.77Å; V1116-L1118 HydrophobicContact CG1-CG 4.5Å |
| 1119 | V | 94.9 | Very high | 75.9 | Confident | 30 Ų | 30 | 66.1 Ų | 66.1 | 18% | 0.182 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 117.3 | 164.6 | -177.6 | 0 | 0 | 0 | 0 | 107.5 | Y1034 H1035 T1036 M1088 K1089 | Y1034-V1119 HydrophobicContact CD1-CG1 4.21Å; H1035-V1119 WeakPolarHBondContact O-CA 3.28Å; T1036-V1119 HydrophobicContact CG2-CG2 4.46Å; M1088-V1119 WeakPolarHBondContact CA-O 3.21Å; M1088-V1119 HydrophobicContact CB-CG1 4.44Å; M1088-V1119 WeakPolarHBondContact CB-O 3.33Å; M1088-V1119 PolarHBondContact N-O 3Å; K1089-V1119 HydrophobicContact CB-CB 3.93Å; K1089-V1119 HydrophobicContact CB-CG2 4.04Å; K1089-V1119 HydrophobicContact CG-CB 4.33Å; K1089-V1119 PolarHBondContact N-O 3.45Å; K1089-V1119 VanDerWaalsContact N-O 3.08Å; K1089-V1119 PolarHBondContact O-N 3.11Å |
| 1120 | V | 94.6 | Very high | 73 | Confident | 0 Ų | 0 | 69.2 Ų | 69.2 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 145.4 | 177.4 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | Y1034 H1035 I1037 L1081 D1085 L1086 L1087 | Y1034-V1120 CarbonylContact C-O 3.52Å; Y1034-V1120 VanDerWaalsContact CA-O 3.3Å; Y1034-V1120 WeakPolarHBondContact CA-O 3.5Å; H1035-V1120 HydrophobicContact CB-CG2 3.9Å; H1035-V1120 PolarHBondContact N-O 3.48Å; H1035-V1120 PolarHBondContact O-N 2.99Å; I1037-V1120 HydrophobicContact CD1-CG2 3.69Å; L1081-V1120 HydrophobicContact CD1-CG1 3.87Å; D1085-V1120 HydrophobicContact CB-CB 4.04Å; D1085-V1120 HydrophobicContact CB-CG1 4.21Å; D1085-V1120 HydrophobicContact CB-CG2 4.25Å; L1086-V1120 CarbonylContact O-C 3.58Å; L1086-V1120 VanDerWaalsContact O-CA 3.28Å; L1086-V1120 WeakPolarHBondContact O-CA 3.42Å; L1087-V1120 HydrophobicContact CD1-CG1 3.89Å |
| 1121 | K | 93.6 | Very high | 70 | Confident | 61 Ų | 61 | 72 Ų | 72 | 27% | 0.265 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 110.5 | 171.8 | 179.3 | -179.6 | -167.1 | 164.7 | 0 | 108.4 | S1032 Y1034 L1086 M1088 | S1032-K1121 VanDerWaalsContact CB-CE 3.47Å; S1032-K1121 WeakPolarHBondContact OG-CE 3.47Å; Y1034-K1121 HydrophobicContact CD1-CB 4.12Å; Y1034-K1121 HydrophobicContact CE1-CB 3.92Å; Y1034-K1121 HydrophobicContact CE1-CD 4.16Å; Y1034-K1121 HydrophobicContact CE1-CG 4.19Å; Y1034-K1121 HydrophobicContact CE2-CD 4.27Å; Y1034-K1121 HydrophobicContact CE2-CG 4.28Å; Y1034-K1121 WeakPolarHBondContact OH-CD 3.25Å; Y1034-K1121 PolarHBondContact OH-NZ 3.48Å; L1086-K1121 HydrophobicContact CB-CB 4.3Å; L1086-K1121 WeakPolarHBondContact CB-O 3.32Å; L1086-K1121 WeakPolarHBondContact CG-O 3.15Å; L1086-K1121 PolarHBondContact N-O 2.87Å; L1086-K1121 VanDerWaalsContact N-O 3.12Å; L1086-K1121 PolarHBondContact O-N 3.36Å; M1088-K1121 HydrophobicContact CG-CB 3.57Å; M1088-K1121 HydrophobicContact SD-CB 3.79Å; M1088-K1121 HydrophobicContact SD-CD 4.02Å |
| 1122 | R | 88.2 | Confident | 67.4 | Low | 39 Ų | 39 | 74.8 Ų | 74.8 | 15% | 0.147 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121 | 177.6 | -171.3 | 171.1 | -68.9 | 159.2 | -7.1 | 108.7 | S1032 T1033 H1035 Q1080 D1085 | S1032-R1122 CarbonylContact C-O 3.53Å; S1032-R1122 VanDerWaalsContact CA-O 3.31Å; S1032-R1122 WeakPolarHBondContact CA-O 3.49Å; T1033-R1122 PolarHBondContact N-O 2.94Å; T1033-R1122 PolarHBondContact O-N 2.76Å; T1033-R1122 PolarHBondContact OG1-O 3.15Å; H1035-R1122 PolarHBondContact CD2-NH1 3.38Å; H1035-R1122 PolarHBondContact NE2-NH1 3.09Å; Q1080-R1122 PolarHBondContact O-NH2 2.93Å; D1085-R1122 IonicContact OD1-CZ 2.75Å; D1085-R1122 IonicContact OD1-NE 3.64Å; D1085-R1122 PolarHBondContact OD1-NE 3.12Å; D1085-R1122 IonicContact OD1-NH2 3.74Å; D1085-R1122 PolarHBondContact OD1-NH2 3.14Å; D1085-R1122 IonicContact OD2-CZ 3.43Å; D1085-R1122 IonicContact OD2-NE 2.74Å; D1085-R1122 IonicContact OD2-NH2 3.26Å; D1085-R1122 PolarHBondContact OD2-NH2 3.44Å |
| 1123 | S | 72.2 | Confident | 64.5 | Low | 48 Ų | 48 | 77.6 Ų | 77.6 | 34% | 0.336 | 40% | 0.401 | S | S | . | . | trans | -69.5 | 140.6 | 169.4 | -170 | 0 | 0 | 0 | 0 | 109 | N1125 | S1123-N1125 PolarHBondContact O-N 2.8Š| ||
| 1124 | R | 53.3 | Low | 61.6 | Low | 163 Ų | 163 | 77 Ų | 77 | 62% | 0.615 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -76.7 | 0 | 179.6 | -149.9 | 172.1 | -176.9 | 173.6 | -1.4 | 113.1 | T1031 | T1031-R1124 WeakPolarHBondContact OG1-CD 3.32Å; T1031-R1124 PolarHBondContact OG1-NH1 2.73Å |
| 1125 | N | 40.7 | Very low | 58.5 | Low | 96 Ų | 96 | 79.1 Ų | 79.1 | 51% | 0.513 | 41% | 0.407 | S | S | . | . | trans | -113.3 | 46.4 | -179.5 | -58 | 66.6 | 0 | 0 | 0 | 110.4 | H1030 S1123 | H1030-N1125 PolarHBondContact ND1-OD1 3.29Å; S1123-N1125 PolarHBondContact O-N 2.8Å | ||
| 1126 | N | 40.6 | Very low | 55.4 | Low | 95 Ų | 95 | 79.5 Ų | 79.5 | 51% | 0.508 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -134.6 | 35.6 | 178.9 | -139.2 | 94.3 | 0 | 0 | 0 | 111 | ||
| 1127 | S | 29.6 | Very low | 52.1 | Low | 76 Ų | 76 | 85.7 Ų | 85.7 | 53% | 0.531 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -155.1 | 129.4 | 171.8 | -57.6 | 0 | 0 | 0 | 0 | 104 | ||
| 1128 | H | 35.1 | Very low | 48.9 | Very low | 91 Ų | 91 | 87.3 Ų | 87.3 | 42% | 0.421 | 45% | 0.45 | S | S | . | . | trans | 66.6 | 137.2 | -158.6 | -33.5 | -59.9 | 0 | 0 | 0 | 113.3 | E1130 D1131 I1132 | H1128-E1130 WeakPolarHBondContact CA-O 3.33Å; H1128-E1130 PolarHBondContact N-O 3.21Å; H1128-E1130 PolarHBondContact ND1-O 3.09Å; H1128-D1131 PolarHBondContact CE1-O 2.86Å; H1128-D1131 PolarHBondContact ND1-N 3.17Å; H1128-D1131 PolarHBondContact ND1-O 3.05Å; H1128-D1131 VanDerWaalsContact ND1-O 3.07Å; H1128-I1132 HydrophobicContact CB-CB 4.18Å; H1128-I1132 HydrophobicContact CB-CD1 4.34Å; H1128-I1132 HydrophobicContact CB-CG1 4.23Å; H1128-I1132 WeakPolarHBondContact CD2-CD1 3.4Å; H1128-I1132 VanDerWaalsContact CD2-CG1 3.46Å; H1128-I1132 WeakPolarHBondContact CD2-CG1 2.92Å | ||
| 1129 | N | 30.1 | Very low | 45.6 | Very low | 118 Ų | 118 | 94.6 Ų | 94.6 | 63% | 0.631 | 49% | 0.489 | S | S | * | . | S | Bend | cis | -62.3 | 128.6 | -6.8 | -53.8 | -19.9 | 0 | 0 | 0 | 110.1 | E1440 | N1129-E1440 PolarHBondContact ND2-OE1 2.83Š|
| 1130 | E | 29.6 | Very low | 42.4 | Very low | 154 Ų | 154 | 98.5 Ų | 98.5 | 72% | 0.72 | 51% | 0.509 | S | S | * | . | S | Bend | cis | -114.1 | 177.9 | -4.1 | -67 | 158.2 | 117 | 0 | 0 | 109.2 | H1128 | H1128-E1130 WeakPolarHBondContact CA-O 3.33Å; H1128-E1130 PolarHBondContact N-O 3.21Å; H1128-E1130 PolarHBondContact ND1-O 3.09Å |
| 1131 | D | 28.9 | Very low | 39.1 | Very low | 113 Ų | 113 | 104.6 Ų | 104.6 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | cis | -103.9 | 105.7 | -15.3 | -37 | -105.7 | 0 | 0 | 0 | 111.5 | H1128 N1133 | H1128-D1131 PolarHBondContact CE1-O 2.86Å; H1128-D1131 PolarHBondContact ND1-N 3.17Å; H1128-D1131 PolarHBondContact ND1-O 3.05Å; H1128-D1131 VanDerWaalsContact ND1-O 3.07Å; D1131-N1133 PolarHBondContact O-ND2 2.98Å; D1131-N1133 VanDerWaalsContact O-ND2 3.07Å | ||
| 1132 | I | 33.9 | Very low | 35.9 | Very low | 121 Ų | 121 | 105.5 Ų | 105.5 | 62% | 0.621 | 56% | 0.556 | S | S | * | * | trans | -113.5 | 95.2 | 147.9 | -86 | 173.4 | 0 | 0 | 0 | 104.2 | H1128 | H1128-I1132 HydrophobicContact CB-CB 4.18Å; H1128-I1132 HydrophobicContact CB-CD1 4.34Å; H1128-I1132 HydrophobicContact CB-CG1 4.23Å; H1128-I1132 WeakPolarHBondContact CD2-CD1 3.4Å; H1128-I1132 VanDerWaalsContact CD2-CG1 3.46Å; H1128-I1132 WeakPolarHBondContact CD2-CG1 2.92Å | ||
| 1133 | N | 30.6 | Very low | 32.9 | Very low | 113 Ų | 113 | 109.8 Ų | 109.8 | 60% | 0.604 | 58% | 0.582 | S | S | * | * | 61.8 | 117.5 | 82.1 | -63 | -44.6 | 0 | 0 | 0 | 110.8 | D1131 | D1131-N1133 PolarHBondContact O-ND2 2.98Å; D1131-N1133 VanDerWaalsContact O-ND2 3.07Å | |||
| 1134 | N | 28 | Very low | 30.7 | Very low | 126 Ų | 126 | 113.2 Ų | 113.2 | 67% | 0.674 | 60% | 0.596 | S | S | * | * | cis | 48.9 | 69.1 | 12.4 | -121.9 | 25.6 | 0 | 0 | 0 | 111.6 | ||||
| 1135 | N | 27.3 | Very low | 29.2 | Very low | 88 Ų | 88 | 110 Ų | 110 | 47% | 0.471 | 60% | 0.595 | S | S | . | * | -171.8 | -178.5 | 60.5 | -86.2 | -79.6 | 0 | 0 | 0 | 111.5 | |||||
| 1136 | N | 26.2 | Very low | 28.6 | Very low | 104 Ų | 104 | 111.3 Ų | 111.3 | 56% | 0.556 | 60% | 0.602 | S | S | * | * | trans | 84.6 | 124.8 | 165 | -52.9 | -19.8 | 0 | 0 | 0 | 114.2 | T1335 | N1136-T1335 WeakPolarHBondContact OD1-CG2 3.4Š| ||
| 1137 | N | 26.8 | Very low | 27.9 | Very low | 129 Ų | 129 | 112.8 Ų | 112.8 | 69% | 0.69 | 61% | 0.61 | S | S | * | * | cis | -132.7 | 150.5 | 13.9 | -74.1 | -59 | 0 | 0 | 0 | 114.1 | ||||
| 1138 | N | 27.1 | Very low | 27.9 | Very low | 68 Ų | 68 | 115.2 Ų | 115.2 | 36% | 0.364 | 62% | 0.617 | S | S | . | * | trans | -64.5 | 154.5 | 156.7 | -81.3 | -16.6 | 0 | 0 | 0 | 110.3 | T1334 T1335 | N1138-T1334 PolarHBondContact N-OG1 2.94Å; N1138-T1334 PolarHBondContact ND2-O 2.85Å; N1138-T1334 WeakPolarHBondContact OD1-CB 3.37Å; N1138-T1334 PolarHBondContact OD1-N 3.2Å; N1138-T1334 PolarHBondContact OD1-OG1 3.34Å; N1138-T1335 PolarHBondContact ND2-OG1 3.25Å; N1138-T1335 VanDerWaalsContact ND2-OG1 3.09Å | ||
| 1139 | N | 26.8 | Very low | 27.6 | Very low | 153 Ų | 153 | 116.6 Ų | 116.6 | 82% | 0.818 | 63% | 0.627 | S | S | * | * | -152.5 | 106.7 | 127.9 | -102.3 | -23.5 | 0 | 0 | 0 | 109.1 | |||||
| 1140 | D | 27 | Very low | 27.5 | Very low | 112 Ų | 112 | 117 Ų | 117 | 60% | 0.599 | 63% | 0.629 | S | S | * | * | 30.2 | 102.3 | 109.4 | -57.6 | 14.3 | 0 | 0 | 0 | 113.6 | |||||
| 1141 | N | 26.5 | Very low | 27.4 | Very low | 128 Ų | 128 | 116.1 Ų | 116.1 | 68% | 0.684 | 63% | 0.629 | S | S | * | * | -162.6 | 143.7 | 70.2 | -85.8 | -79.3 | 0 | 0 | 0 | 108.3 | |||||
| 1142 | S | 26.5 | Very low | 27.4 | Very low | 81 Ų | 81 | 115.7 Ų | 115.7 | 57% | 0.566 | 63% | 0.627 | S | S | * | * | 64.3 | 143.2 | 52.7 | 114.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1143 | N | 25.2 | Very low | 27.1 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 69% | 0.69 | 63% | 0.633 | S | S | * | * | trans | 65.6 | 132.3 | -164.6 | -38.4 | -78 | 0 | 0 | 0 | 112.9 | ||||
| 1144 | N | 24.7 | Very low | 27 | Very low | 119 Ų | 119 | 116.2 Ų | 116.2 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | cis | -141.3 | 147.7 | -9.8 | -107.4 | -8.1 | 0 | 0 | 0 | 107.1 | ||||
| 1145 | T | 23.2 | Very low | 26.7 | Very low | 95 Ų | 95 | 115.4 Ų | 115.4 | 58% | 0.583 | 64% | 0.64 | S | S | * | * | 40.4 | 142.9 | 88.6 | 89.7 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1146 | N | 26.4 | Very low | 26.7 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 66% | 0.663 | 66% | 0.657 | S | S | * | * | trans | 73.3 | 128.1 | 174.7 | -55.3 | 55.6 | 0 | 0 | 0 | 113.9 | ||||
| 1147 | D | 27.6 | Very low | 26.7 | Very low | 126 Ų | 126 | 118.4 Ų | 118.4 | 67% | 0.674 | 66% | 0.661 | S | S | * | * | cis | -157.6 | -178.1 | -5.6 | -103.7 | -29.7 | 0 | 0 | 0 | 108.4 | ||||
| 1148 | D | 28.6 | Very low | 26.5 | Very low | 128 Ų | 128 | 118.6 Ų | 118.6 | 68% | 0.684 | 66% | 0.662 | S | S | * | * | trans | 59.8 | 94.1 | 139.2 | -83.4 | 21.2 | 0 | 0 | 0 | 118.6 | ||||
| 1149 | N | 28.5 | Very low | 26.4 | Very low | 119 Ų | 119 | 121 Ų | 121 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | 114.1 | 112.9 | 116.4 | -76.5 | -54.6 | 0 | 0 | 0 | 114.4 | |||||
| 1150 | N | 27.5 | Very low | 26.4 | Very low | 127 Ų | 127 | 122 Ų | 122 | 68% | 0.679 | 67% | 0.671 | S | S | * | * | 77.8 | 159.9 | 64.1 | -175.7 | 21.4 | 0 | 0 | 0 | 110.2 | |||||
| 1151 | L | 28.7 | Very low | 26.3 | Very low | 136 Ų | 136 | 121.9 Ų | 121.9 | 71% | 0.712 | 67% | 0.674 | S | S | * | * | trans | 64.8 | 118.7 | -173.9 | -89.4 | 49.1 | 0 | 0 | 0 | 114.9 | ||||
| 1152 | D | 27.4 | Very low | 26.1 | Very low | 104 Ų | 104 | 123.6 Ų | 123.6 | 56% | 0.556 | 68% | 0.68 | S | S | * | * | cis | -166.1 | -177.8 | -9.6 | -136.6 | -35.2 | 0 | 0 | 0 | 112.3 | ||||
| 1153 | Q | 28.6 | Very low | 26.1 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 75% | 0.752 | 69% | 0.691 | S | S | * | * | trans | 16.5 | 131.6 | 142.8 | -68.9 | 142.2 | 39.1 | 0 | 0 | 118.3 | ||||
| 1154 | A | 27.6 | Very low | 26.3 | Very low | 83 Ų | 83 | 126.8 Ų | 126.8 | 69% | 0.686 | 69% | 0.691 | S | S | * | * | cis | -157 | 152.2 | -1.4 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 1155 | C | 23 | Very low | 26.4 | Very low | 110 Ų | 110 | 126.2 Ų | 126.2 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | 56 | 135.6 | 56.1 | -139.8 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1156 | L | 26.1 | Very low | 26.6 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 82% | 0.817 | 71% | 0.708 | S | S | * | * | trans | 72 | 149.4 | 168.7 | -56.2 | 170.9 | 0 | 0 | 0 | 117.1 | ||||
| 1157 | P | 27.3 | Very low | 26.7 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 64% | 0.643 | 71% | 0.712 | S | S | * | * | cis | -146.7 | 175.8 | -32 | 40.5 | -23.3 | 0 | 0 | 0 | 116.1 | ||||
| 1158 | D | 23.3 | Very low | 26.7 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | 67 | 123.5 | 131.2 | -83.7 | -19.4 | 0 | 0 | 0 | 123.5 | ||||
| 1159 | L | 23.6 | Very low | 26.5 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 62% | 0.618 | 71% | 0.712 | S | S | * | * | 51.4 | 130 | 115.4 | -99.2 | 55.5 | 0 | 0 | 0 | 119.8 | |||||
| 1160 | K | 26.4 | Very low | 26.4 | Very low | 176 Ų | 176 | 128.7 Ų | 128.7 | 77% | 0.765 | 72% | 0.719 | S | S | * | * | trans | 77.5 | 144.9 | 150.2 | -59.4 | 160.6 | -176.9 | 168.6 | 0 | 113.9 | ||||
| 1161 | T | 26.1 | Very low | 26.4 | Very low | 108 Ų | 108 | 127 Ų | 127 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | cis | -160 | 149.6 | 10.5 | -9.3 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1162 | M | 22.1 | Very low | 26.4 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 81% | 0.813 | 72% | 0.723 | S | S | * | * | trans | 66.1 | 150.9 | 145.6 | -86.1 | 170.8 | -179.8 | 0 | 0 | 118 | ||||
| 1163 | Q | 26.9 | Very low | 26.5 | Very low | 170 Ų | 170 | 125.4 Ų | 125.4 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | cis | -142.6 | 174.4 | 12.1 | -88.4 | -132.1 | -25 | 0 | 0 | 111.5 | ||||
| 1164 | P | 29.1 | Very low | 26.4 | Very low | 107 Ų | 107 | 123.3 Ų | 123.3 | 70% | 0.695 | 73% | 0.733 | S | S | * | * | trans | -106.7 | -168.5 | -150 | 43 | -39 | 0 | 0 | 0 | 116.9 | ||||
| 1165 | S | 26.2 | Very low | 26.5 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | 74.8 | 143.9 | 169.4 | 72.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1166 | V | 28.6 | Very low | 26.6 | Very low | 135 Ų | 135 | 127 Ų | 127 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | cis | -112.2 | -131.8 | 14.2 | -162.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1167 | I | 28.1 | Very low | 26.5 | Very low | 147 Ų | 147 | 125.7 Ų | 125.7 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | trans | -153 | 158.1 | -158.2 | -79.4 | 166.2 | 0 | 0 | 0 | 106.4 | ||||
| 1168 | C | 26.1 | Very low | 26.4 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | cis | -98.7 | 178.8 | 7.9 | -90.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1169 | T | 25.1 | Very low | 26.4 | Very low | 101 Ų | 101 | 121.4 Ų | 121.4 | 62% | 0.62 | 71% | 0.711 | S | S | * | * | cis | 94.4 | 85.8 | 17.6 | -38.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1170 | I | 27.5 | Very low | 26.5 | Very low | 151 Ų | 151 | 120.2 Ų | 120.2 | 77% | 0.774 | 71% | 0.705 | S | S | * | * | 69.9 | 118.9 | 72.5 | -58.1 | 160.9 | 0 | 0 | 0 | 110.1 | |||||
| 1171 | A | 27.2 | Very low | 26.5 | Very low | 92 Ų | 92 | 118.9 Ų | 118.9 | 76% | 0.76 | 70% | 0.701 | S | S | * | * | -158.9 | 163.7 | 63.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1172 | S | 28.9 | Very low | 26.4 | Very low | 102 Ų | 102 | 121.9 Ų | 121.9 | 71% | 0.713 | 71% | 0.708 | S | S | * | * | cis | -158.3 | 141.4 | -18.7 | -100.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1173 | S | 29.3 | Very low | 26.6 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | trans | -50.2 | 151.1 | 161.9 | 52.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1174 | C | 26.5 | Very low | 26.5 | Very low | 117 Ų | 117 | 116.9 Ų | 116.9 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | -169.3 | 120.6 | 109.8 | -94.1 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 1175 | C | 28.8 | Very low | 26.4 | Very low | 120 Ų | 120 | 120.8 Ų | 120.8 | 81% | 0.811 | 71% | 0.706 | S | S | * | * | trans | -82.8 | -157.6 | 151.3 | -49.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 1176 | I | 25.5 | Very low | 26.3 | Very low | 150 Ų | 150 | 120.2 Ų | 120.2 | 77% | 0.769 | 70% | 0.702 | S | S | * | * | trans | 96.2 | 98.5 | 170.3 | -55.5 | 162.2 | 0 | 0 | 0 | 112.7 | ||||
| 1177 | N | 24.5 | Very low | 26.1 | Very low | 130 Ų | 130 | 119 Ų | 119 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | 76.7 | 129.2 | 65.5 | -95.5 | -16.3 | 0 | 0 | 0 | 115.7 | |||||
| 1178 | T | 24.4 | Very low | 26 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 58% | 0.577 | 68% | 0.682 | S | S | * | * | trans | 68 | 164.2 | 142.9 | 62.4 | 0 | 0 | 0 | 0 | 116.5 | Y1729 Q1730 | T1178-Y1729 CarbonylContact C-O 3.48Å; T1178-Q1730 PolarHBondContact O-N 2.92Å | ||
| 1179 | V | 24.2 | Very low | 26 | Very low | 47 Ų | 47 | 113 Ų | 113 | 29% | 0.285 | 65% | 0.653 | S | S | . | * | cis | -138.5 | 163.5 | 18.9 | 153.3 | 0 | 0 | 0 | 0 | 110 | N1728 Y1729 | V1179-N1728 CarbonylContact C-O 3.46Å; V1179-N1728 WeakPolarHBondContact CA-O 3.43Å; V1179-N1728 WeakPolarHBondContact CB-O 3.46Å; V1179-N1728 WeakPolarHBondContact CG1-O 3.19Å; V1179-N1728 PolarHBondContact N-O 3.24Å; V1179-N1728 CarbonylContact O-C 3.5Å; V1179-N1728 PolarHBondContact O-N 3.21Å; V1179-N1728 VanDerWaalsContact O-N 3.08Å; V1179-Y1729 VanDerWaalsContact CB-O 3.27Å; V1179-Y1729 WeakPolarHBondContact CB-O 3.33Å; V1179-Y1729 HydrophobicContact CG1-CD2 4.41Å; V1179-Y1729 WeakPolarHBondContact CG2-O 3.45Å; V1179-Y1729 PolarHBondContact N-O 2.78Å | ||
| 1180 | N | 24.3 | Very low | 26 | Very low | 92 Ų | 92 | 111.2 Ų | 111.2 | 49% | 0.492 | 64% | 0.642 | S | S | . | * | trans | 55.7 | 164.7 | 159.5 | -74.3 | 0.3 | 0 | 0 | 0 | 120.6 | ||||
| 1181 | E | 27.4 | Very low | 26.1 | Very low | 148 Ų | 148 | 109 Ų | 109 | 69% | 0.692 | 63% | 0.631 | S | S | * | * | cis | -140.5 | 128.1 | 2.8 | -139.4 | 146.2 | -108 | 0 | 0 | 113.6 | ||||
| 1182 | Q | 24 | Very low | 26.1 | Very low | 172 Ų | 172 | 107.1 Ų | 107.1 | 80% | 0.804 | 61% | 0.611 | S | S | * | * | trans | 56 | 151.4 | 134.7 | -71.8 | -82.5 | -30.3 | 0 | 0 | 122.9 | ||||
| 1183 | P | 26.7 | Very low | 26.2 | Very low | 96 Ų | 96 | 105 Ų | 105 | 62% | 0.623 | 60% | 0.595 | S | S | * | * | trans | -118.1 | 119.2 | -167.5 | 36.2 | -18.6 | 0 | 0 | 0 | 114.5 | ||||
| 1184 | T | 25.2 | Very low | 26 | Very low | 134 Ų | 134 | 105.5 Ų | 105.5 | 82% | 0.822 | 59% | 0.589 | S | S | * | * | trans | -124.4 | 111.4 | 163.1 | 50.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1185 | K | 25.4 | Very low | 25.9 | Very low | 188 Ų | 188 | 104.5 Ų | 104.5 | 82% | 0.817 | 58% | 0.583 | S | S | * | * | 74.2 | 151.1 | 67.3 | -73.6 | -178.8 | 177.5 | 174.8 | 0 | 113 | |||||
| 1186 | S | 24.9 | Very low | 25.7 | Very low | 95 Ų | 95 | 103.8 Ų | 103.8 | 66% | 0.664 | 58% | 0.58 | S | S | * | * | trans | 72.3 | 135.9 | -174.3 | 80.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 1187 | I | 24.2 | Very low | 25.6 | Very low | 109 Ų | 109 | 102.8 Ų | 102.8 | 56% | 0.559 | 58% | 0.58 | S | S | * | * | cis | 84.7 | 47.7 | 7.8 | -36.9 | 177.3 | 0 | 0 | 0 | 113.9 | L1715 S1716 | I1187-L1715 WeakPolarHBondContact CA-O 3.46Å; I1187-L1715 HydrophobicContact CB-CB 4.11Å; I1187-L1715 HydrophobicContact CG2-CB 3.59Å; I1187-L1715 HydrophobicContact CG2-CD1 3.54Å; I1187-L1715 HydrophobicContact CG2-CG 4.12Å; I1187-L1715 WeakPolarHBondContact O-CB 3.1Å; I1187-S1716 PolarHBondContact N-O 2.7Å | ||
| 1188 | L | 26.6 | Very low | 25.6 | Very low | 110 Ų | 110 | 101.5 Ų | 101.5 | 58% | 0.576 | 58% | 0.582 | S | S | * | * | B | Isolated β-bridge | trans | -129.9 | 152 | 154.2 | -138.4 | 78.1 | 0 | 0 | 0 | 116.7 | L1715 S1716 N1717 | L1188-L1715 VanDerWaalsContact CA-CB 3.5Å; L1188-L1715 HydrophobicContact CD1-CD2 3.98Å; L1188-L1715 HydrophobicContact CG-CD2 4.23Å; L1188-L1715 VanDerWaalsContact N-CB 3.31Å; L1188-S1716 PolarHBondContact N-O 3.42Å; L1188-S1716 CarbonylContact O-C 3.54Å; L1188-S1716 WeakPolarHBondContact O-CA 3.27Å; L1188-S1716 WeakPolarHBondContact O-CB 3.4Å; L1188-S1716 PolarHBondContact O-OG 2.88Å; L1188-N1717 HydrophobicContact CB-CB 4.35Å; L1188-N1717 VanDerWaalsContact O-CB 3.24Å; L1188-N1717 WeakPolarHBondContact O-CB 3.48Å; L1188-N1717 PolarHBondContact O-N 3.3Å; L1188-N1717 VanDerWaalsContact O-N 3.09Å; L1188-N1717 PolarHBondContact O-OD1 2.82Å |
| 1189 | S | 25.5 | Very low | 25.8 | Very low | 20 Ų | 20 | 105.4 Ų | 105.4 | 14% | 0.14 | 59% | 0.593 | C | S | . | * | trans | -145.8 | 153 | -162.1 | 67.4 | 0 | 0 | 0 | 0 | 116.6 | R1714 L1715 S1716 | S1189-R1714 VanDerWaalsContact CB-NH2 3.26Å; S1189-R1714 PolarHBondContact OG-NE 2.89Å; S1189-R1714 PolarHBondContact OG-NH2 3.36Å; S1189-L1715 VanDerWaalsContact OG-CD2 3.28Å; S1189-L1715 WeakPolarHBondContact OG-CD2 3.45Å; S1189-S1716 VanDerWaalsContact CA-OG 3.27Å; S1189-S1716 WeakPolarHBondContact CA-OG 3.3Å; S1189-S1716 WeakPolarHBondContact CB-OG 3.48Å | ||
| 1190 | T | 25.5 | Very low | 25.9 | Very low | 64 Ų | 64 | 108.4 Ų | 108.4 | 39% | 0.393 | 61% | 0.614 | S | S | . | * | trans | 148.7 | 131.8 | 136.8 | -70.6 | 0 | 0 | 0 | 0 | 117.1 | P1652 R1714 | T1190-P1652 HydrophobicContact CG2-CG 3.9Å; T1190-R1714 PolarHBondContact OG1-NH2 3.34Å | ||
| 1191 | I | 29.3 | Very low | 25.7 | Very low | 105 Ų | 105 | 111 Ų | 111 | 54% | 0.538 | 63% | 0.626 | S | S | . | * | trans | -170.7 | 138.9 | 141.9 | -105.6 | 160.6 | 0 | 0 | 0 | 112.7 | Q1650 I1651 P1652 | I1191-Q1650 VanDerWaalsContact CG2-NE2 3.34Å; I1191-I1651 WeakPolarHBondContact O-CA 3.42Å; I1191-I1651 WeakPolarHBondContact O-CB 3.36Å; I1191-I1651 WeakPolarHBondContact O-CG1 3.44Å; I1191-I1651 PolarHBondContact O-N 2.98Å; I1191-P1652 VanDerWaalsContact C-CD 3.44Å; I1191-P1652 WeakPolarHBondContact O-CD 3.34Å | ||
| 1192 | P | 27.7 | Very low | 25.4 | Very low | 52 Ų | 52 | 108.1 Ų | 108.1 | 34% | 0.338 | 62% | 0.619 | S | S | . | * | trans | -103.7 | 171.4 | -142.6 | -1.3 | 25 | 0 | 0 | 0 | 119.6 | Q1650 | P1192-Q1650 WeakPolarHBondContact O-CB 3.44Å; P1192-Q1650 WeakPolarHBondContact O-CG 3.38Å | ||
| 1193 | P | 30.9 | Very low | 25.4 | Very low | 59 Ų | 59 | 106.6 Ų | 106.6 | 38% | 0.383 | 61% | 0.612 | S | S | . | * | trans | -73.6 | 121.5 | -176.8 | 0.4 | 15.6 | 0 | 0 | 0 | 112.1 | Q1650 I1651 | P1193-Q1650 WeakPolarHBondContact CA-O 3.45Å; P1193-Q1650 WeakPolarHBondContact CB-O 3.42Å; P1193-Q1650 VanDerWaalsContact CG-O 3.26Å; P1193-Q1650 WeakPolarHBondContact CG-O 3.34Å; P1193-Q1650 VanDerWaalsContact N-C 3.32Å; P1193-I1651 VanDerWaalsContact CD-C 3.46Å; P1193-I1651 WeakPolarHBondContact CG-O 3.39Å; P1193-I1651 VanDerWaalsContact N-N 3.18Å | ||
| 1194 | L | 25.4 | Very low | 25.3 | Very low | 113 Ų | 113 | 106.7 Ų | 106.7 | 59% | 0.592 | 60% | 0.604 | S | S | * | * | trans | -145.3 | 109.2 | 164.1 | -69.6 | 95.8 | 0 | 0 | 0 | 109.1 | V1649 | L1194-V1649 WeakPolarHBondContact O-CG1 3.44Š| ||
| 1195 | S | 23 | Very low | 25.5 | Very low | 96 Ų | 96 | 107.2 Ų | 107.2 | 67% | 0.671 | 60% | 0.596 | S | S | * | * | 61.9 | 82.9 | 55.4 | 90.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 1196 | S | 25.1 | Very low | 25.5 | Very low | 106 Ų | 106 | 104.1 Ų | 104.1 | 74% | 0.741 | 59% | 0.589 | S | S | * | * | trans | -165.7 | 120.2 | 153.1 | 47.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1197 | T | 23.4 | Very low | 25.5 | Very low | 128 Ų | 128 | 104.6 Ų | 104.6 | 79% | 0.785 | 58% | 0.581 | S | S | * | * | 96.2 | 136.2 | 59.8 | -66.8 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1198 | S | 23.7 | Very low | 25.6 | Very low | 103 Ų | 103 | 104.6 Ų | 104.6 | 72% | 0.72 | 59% | 0.586 | S | S | * | * | trans | 59.2 | 123 | 158 | 64.4 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1199 | Q | 28.7 | Very low | 25.4 | Very low | 176 Ų | 176 | 105.6 Ų | 105.6 | 82% | 0.822 | 60% | 0.596 | S | S | * | * | trans | -67 | 169.3 | 135.2 | -53.1 | 173.4 | -58.8 | 0 | 0 | 109.6 | ||||
| 1200 | P | 26.6 | Very low | 25.4 | Very low | 111 Ų | 111 | 111 Ų | 111 | 72% | 0.721 | 62% | 0.622 | S | S | * | * | cis | -116.3 | -119.4 | -10.1 | 36.1 | -18.3 | 0 | 0 | 0 | 108.6 | ||||
| 1201 | I | 19.8 | Very low | 25.4 | Very low | 147 Ų | 147 | 113.9 Ų | 113.9 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | trans | 71.9 | 125.3 | 169.5 | -62.6 | 163.2 | 0 | 0 | 0 | 113.6 | ||||
| 1202 | T | 21.5 | Very low | 25.2 | Very low | 86 Ų | 86 | 117.2 Ų | 117.2 | 53% | 0.528 | 65% | 0.653 | S | S | . | * | cis | -158.1 | 169.2 | -14.9 | 21 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1203 | Q | 24.6 | Very low | 25.4 | Very low | 141 Ų | 141 | 123.2 Ų | 123.2 | 66% | 0.659 | 68% | 0.676 | S | S | * | * | trans | 71.9 | 116.1 | 169.3 | -69.3 | 152.1 | 14.3 | 0 | 0 | 113.5 | ||||
| 1204 | Q | 24.8 | Very low | 25.1 | Very low | 98 Ų | 98 | 125.6 Ų | 125.6 | 46% | 0.458 | 69% | 0.692 | S | S | . | * | 72.7 | 126 | 55.7 | -68.3 | 171.1 | -91 | 0 | 0 | 112.2 | G548 | G548-Q1204 PolarHBondContact O-NE2 3.32Š| |||
| 1205 | H | 28.8 | Very low | 25 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | trans | 71.4 | 118.9 | 158.4 | -69.8 | -130.4 | 0 | 0 | 0 | 113.7 | ||||
| 1206 | N | 25.1 | Very low | 25.1 | Very low | 123 Ų | 123 | 124.1 Ų | 124.1 | 66% | 0.658 | 69% | 0.691 | S | S | * | * | 74.6 | 163 | 77.2 | -63.4 | 10 | 0 | 0 | 0 | 112.9 | |||||
| 1207 | E | 24.6 | Very low | 25.1 | Very low | 106 Ų | 106 | 126.6 Ų | 126.6 | 50% | 0.495 | 69% | 0.69 | S | S | . | * | trans | 64.3 | 91.4 | 144.3 | -75 | 154.1 | -106.4 | 0 | 0 | 118.6 | ||||
| 1208 | T | 26.1 | Very low | 25.1 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | 50.7 | 91.2 | 118.6 | 58.1 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 1209 | V | 22.4 | Very low | 25.2 | Very low | 131 Ų | 131 | 129.5 Ų | 129.5 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | trans | -130.7 | 102.6 | 148.2 | -177.6 | 0 | 0 | 0 | 0 | 105.7 | V1211 | V1209-V1211 HydrophobicContact CG1-CG2 4.21Š| ||
| 1210 | I | 26.5 | Very low | 25 | Very low | 135 Ų | 135 | 130.2 Ų | 130.2 | 69% | 0.692 | 69% | 0.692 | S | S | * | * | cis | 63.6 | 68.6 | 47.5 | -44.5 | 179.6 | 0 | 0 | 0 | 111.9 | ||||
| 1211 | V | 25.5 | Very low | 25 | Very low | 124 Ų | 124 | 132.5 Ų | 132.5 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | trans | -142.7 | 117.3 | 152.2 | -176.9 | 0 | 0 | 0 | 0 | 105.6 | V1209 | V1209-V1211 HydrophobicContact CG1-CG2 4.21Š| ||
| 1212 | E | 25.7 | Very low | 25.6 | Very low | 174 Ų | 174 | 130.4 Ų | 130.4 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | cis | -147.1 | 167.2 | -8.2 | -131.6 | 167.4 | -171.6 | 0 | 0 | 109.2 | ||||
| 1213 | Q | 31.4 | Very low | 25.8 | Very low | 179 Ų | 179 | 133.5 Ų | 133.5 | 84% | 0.836 | 71% | 0.706 | S | S | * | * | trans | -65.7 | 154.5 | 167.1 | -80.1 | 178.9 | -16.6 | 0 | 0 | 109.6 | ||||
| 1214 | P | 24.9 | Very low | 25.9 | Very low | 109 Ų | 109 | 135.8 Ų | 135.8 | 71% | 0.708 | 71% | 0.713 | S | S | * | * | cis | -152.6 | 169.1 | 46.3 | 47 | -27.4 | 0 | 0 | 0 | 119.6 | ||||
| 1215 | S | 22.8 | Very low | 25.9 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | trans | 20.7 | 140.2 | 135.2 | 77.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1216 | S | 25 | Very low | 25.9 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 59% | 0.594 | 73% | 0.731 | S | S | * | * | trans | 50.4 | 149 | 132.6 | 63.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1217 | H | 24.9 | Very low | 25.9 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | 76.1 | 108.9 | -176.4 | -45.8 | 95.8 | 0 | 0 | 0 | 111.2 | ||||
| 1218 | D | 24.1 | Very low | 26 | Very low | 143 Ų | 143 | 140.6 Ų | 140.6 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | 83.1 | 164.8 | 74 | -78.8 | -59.5 | 0 | 0 | 0 | 112.1 | |||||
| 1219 | I | 24.5 | Very low | 25.9 | Very low | 149 Ų | 149 | 141.9 Ų | 141.9 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | 72.1 | 88.6 | 176.4 | -51.4 | 162.6 | 0 | 0 | 0 | 111.7 | ||||
| 1220 | K | 26.6 | Very low | 25.9 | Very low | 192 Ų | 192 | 141.1 Ų | 141.1 | 84% | 0.835 | 74% | 0.739 | S | S | * | * | 48.2 | 113.2 | 81.1 | -64.3 | -175.4 | 175.7 | -178.5 | 0 | 114.5 | |||||
| 1221 | I | 26.4 | Very low | 25.8 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 81% | 0.81 | 75% | 0.748 | S | S | * | * | 177.9 | 138.8 | 124 | -91.8 | 152.2 | 0 | 0 | 0 | 108.3 | |||||
| 1222 | P | 31.6 | Very low | 25.8 | Very low | 103 Ų | 103 | 138.7 Ų | 138.7 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | trans | -95.9 | 177.5 | -179.3 | 39.7 | -35.8 | 0 | 0 | 0 | 112.3 | ||||
| 1223 | D | 26.6 | Very low | 25.7 | Very low | 152 Ų | 152 | 133.2 Ų | 133.2 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | -172.6 | 159.6 | 120.4 | -98.2 | -31.4 | 0 | 0 | 0 | 115.1 | |||||
| 1224 | K | 25.9 | Very low | 25.3 | Very low | 188 Ų | 188 | 128.7 Ų | 128.7 | 82% | 0.817 | 70% | 0.701 | S | S | * | * | trans | -56.3 | 139.1 | -162.6 | -57.4 | 176.3 | 175.1 | -171.6 | 0 | 118.2 | ||||
| 1225 | L | 25.2 | Very low | 25.3 | Very low | 172 Ų | 172 | 128 Ų | 128 | 90% | 0.901 | 69% | 0.691 | S | S | * | * | -171.5 | 87.6 | 113.2 | -107.6 | 168.6 | 0 | 0 | 0 | 110.9 | |||||
| 1226 | S | 27.7 | Very low | 25.3 | Very low | 86 Ų | 86 | 129.1 Ų | 129.1 | 60% | 0.601 | 70% | 0.698 | S | S | * | * | trans | -151.9 | 58.1 | -178.6 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1227 | E | 25.4 | Very low | 25.6 | Very low | 105 Ų | 105 | 131.1 Ų | 131.1 | 49% | 0.491 | 70% | 0.698 | S | S | . | * | trans | -153.4 | 119.1 | 174.5 | -101.7 | 164.3 | -156.9 | 0 | 0 | 108 | M2171 | E1227-M2171 HydrophobicContact CB-CE 4.34Å; E1227-M2171 HydrophobicContact CG-CE 3.83Å; E1227-M2171 HydrophobicContact CG-SD 3.98Å | ||
| 1228 | W | 26.1 | Very low | 26.1 | Very low | 209 Ų | 209 | 131.3 Ų | 131.3 | 79% | 0.792 | 70% | 0.697 | S | S | * | * | trans | -151 | 50.6 | 158.2 | -108.3 | 25.3 | 0 | 0 | 0 | 108.1 | ||||
| 1229 | N | 24 | Very low | 27.5 | Very low | 136 Ų | 136 | 128.5 Ų | 128.5 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | trans | -96.2 | 112.6 | 161.7 | -84.5 | -12.1 | 0 | 0 | 0 | 107.4 | ||||
| 1230 | C | 23.9 | Very low | 29.1 | Very low | 114 Ų | 114 | 128.5 Ų | 128.5 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | -176.9 | 132.7 | 148.1 | -113.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1231 | C | 24.8 | Very low | 31 | Very low | 130 Ų | 130 | 121.9 Ų | 121.9 | 88% | 0.878 | 65% | 0.651 | S | S | * | * | trans | -95 | 111.1 | 153.8 | -57.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1232 | S | 23.7 | Very low | 33.2 | Very low | 78 Ų | 78 | 115.4 Ų | 115.4 | 55% | 0.545 | 62% | 0.618 | S | S | . | * | trans | 179.4 | 143.4 | 159.3 | -77.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1233 | S | 24 | Very low | 34.6 | Very low | 59 Ų | 59 | 113.8 Ų | 113.8 | 41% | 0.413 | 61% | 0.607 | S | S | . | * | trans | 49.7 | 106.9 | 149.5 | -55.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 1234 | D | 23 | Very low | 35.8 | Very low | 84 Ų | 84 | 111.4 Ų | 111.4 | 45% | 0.449 | 60% | 0.6 | S | S | . | * | trans | 67.3 | 179.4 | 133.6 | -55.1 | -68.8 | 0 | 0 | 0 | 121.8 | D1774 N1776 | D1234-D1774 WeakPolarHBondContact CB-OD1 3.49Å; D1234-N1776 WeakPolarHBondContact OD2-CB 3.03Å; D1234-N1776 PolarHBondContact OD2-ND2 3.04Å | ||
| 1235 | I | 24.6 | Very low | 36.9 | Very low | 96 Ų | 96 | 107.5 Ų | 107.5 | 49% | 0.492 | 60% | 0.597 | S | S | . | * | trans | 58.7 | 97 | 175.4 | -45.1 | 179.1 | 0 | 0 | 0 | 118.4 | Q1237 D1774 | I1235-Q1237 PolarHBondContact O-N 3.23Å; I1235-D1774 WeakPolarHBondContact CG1-OD1 3.3Å | ||
| 1236 | S | 24.1 | Very low | 38.5 | Very low | 116 Ų | 116 | 101.9 Ų | 101.9 | 81% | 0.811 | 57% | 0.566 | S | S | * | * | trans | 8.7 | 69.6 | 136.1 | -159.2 | 0 | 0 | 0 | 0 | 118.9 | K1238 | S1236-K1238 PolarHBondContact O-N 3.48Š| ||
| 1237 | Q | 30.3 | Very low | 39.6 | Very low | 127 Ų | 127 | 102.3 Ų | 102.3 | 59% | 0.593 | 57% | 0.567 | S | S | * | * | trans | -70.8 | 113.5 | 171.2 | -69.3 | -169.7 | 11.7 | 0 | 0 | 111 | I1235 F1239 | I1235-Q1237 PolarHBondContact O-N 3.23Å; Q1237-F1239 WeakPolarHBondContact O-CE2 3.44Å; Q1237-F1239 PolarHBondContact O-N 2.87Å; Q1237-F1239 VanDerWaalsContact O-N 3.1Å | ||
| 1238 | K | 36.2 | Very low | 40.9 | Very low | 160 Ų | 160 | 98.7 Ų | 98.7 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | trans | -59.4 | 113 | 172 | -85.2 | 170.7 | 178.9 | 150.2 | 0 | 110.4 | S1236 H1240 | S1236-K1238 PolarHBondContact O-N 3.48Å; K1238-H1240 PolarHBondContact O-CD2 3.28Å; K1238-H1240 PolarHBondContact O-N 2.93Å | ||
| 1239 | F | 53.2 | Low | 42 | Very low | 84 Ų | 84 | 90.9 Ų | 90.9 | 37% | 0.368 | 52% | 0.524 | S | S | . | . | trans | -66.8 | 109.9 | 172.6 | -62 | -65.6 | 0 | 0 | 0 | 110.1 | Q1237 Y1262 R1375 | Q1237-F1239 WeakPolarHBondContact O-CE2 3.44Å; Q1237-F1239 PolarHBondContact O-N 2.87Å; Q1237-F1239 VanDerWaalsContact O-N 3.1Å; F1239-Y1262 HydrophobicContact CB-CD1 3.99Å; F1239-Y1262 HydrophobicContact CB-CE1 3.72Å; F1239-Y1262 WeakPolarHBondContact O-CE1 3.25Å; F1239-R1375 HydrophobicContact CE1-CB 4.21Å; F1239-R1375 HydrophobicContact CE1-CG 3.72Å; F1239-R1375 HydrophobicContact CE2-CB 4.41Å; F1239-R1375 HydrophobicContact CE2-CG 4.16Å; F1239-R1375 HydrophobicContact CZ-CB 4.02Å; F1239-R1375 HydrophobicContact CZ-CG 3.4Å; F1239-R1375 VanDerWaalsContact CZ-CG 3.4Å | ||
| 1240 | H | 57.1 | Low | 43.3 | Very low | 150 Ų | 150 | 92.9 Ų | 92.9 | 69% | 0.694 | 53% | 0.526 | S | S | * | . | P | Polyproline II helix | trans | -85.9 | 133.3 | 173.1 | -74.7 | -81.3 | 0 | 0 | 0 | 110.5 | K1238 Y1262 | K1238-H1240 PolarHBondContact O-CD2 3.28Å; K1238-H1240 PolarHBondContact O-N 2.93Å; H1240-Y1262 VanDerWaalsContact C-CE1 3.46Å; H1240-Y1262 WeakPolarHBondContact O-CD1 3.37Å |
| 1241 | P | 67 | Low | 44.8 | Very low | 52 Ų | 52 | 89.5 Ų | 89.5 | 34% | 0.338 | 50% | 0.5 | S | S | . | . | P | Polyproline II helix | trans | -58.7 | 145.2 | 170.8 | -22.3 | 32.6 | 0 | 0 | 0 | 111.4 | S1260 L1261 Y1262 | P1241-S1260 WeakPolarHBondContact CG-OG 3.34Å; P1241-L1261 CarbonylContact C-O 3.54Å; P1241-L1261 VanDerWaalsContact CA-O 3.31Å; P1241-L1261 WeakPolarHBondContact CA-O 3.46Å; P1241-Y1262 HydrophobicContact CG-CE1 4.24Å |
| 1242 | L | 73.5 | Confident | 45.9 | Very low | 23 Ų | 23 | 92.6 Ų | 92.6 | 12% | 0.12 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 131.1 | 167.3 | -62 | 172.7 | 0 | 0 | 0 | 108.8 | H1246 Y1249 L1261 L1263 L1421 | L1242-H1246 HydrophobicContact CB-CB 4.05Å; L1242-Y1249 HydrophobicContact CB-CE2 4.29Å; L1242-Y1249 PolarHBondContact O-OH 3.21Å; L1242-Y1249 VanDerWaalsContact O-OH 3.07Å; L1242-L1261 HydrophobicContact CB-CB 4.22Å; L1242-L1261 HydrophobicContact CD1-CB 4.06Å; L1242-L1261 HydrophobicContact CG-CB 4.47Å; L1242-L1261 PolarHBondContact N-O 2.92Å; L1242-L1263 HydrophobicContact CD1-CB 4.28Å; L1242-L1263 HydrophobicContact CD2-CB 4.17Å; L1242-L1421 HydrophobicContact CD1-CD1 3.47Å; L1242-L1421 VanDerWaalsContact CD1-CD1 3.47Å |
| 1243 | P | 59.8 | Low | 47.6 | Very low | 68 Ų | 68 | 91.6 Ų | 91.6 | 44% | 0.442 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -66 | 152 | 179.8 | 27.9 | -35.2 | 0 | 0 | 0 | 110.4 | S1245 H1246 Y1249 | P1243-S1245 PolarHBondContact O-N 3.35Å; P1243-H1246 WeakPolarHBondContact O-CB 3.31Å; P1243-H1246 PolarHBondContact O-N 3.3Å; P1243-Y1249 WeakPolarHBondContact O-CE2 3.47Å |
| 1244 | P | 51.9 | Low | 49.5 | Very low | 103 Ų | 103 | 90.2 Ų | 90.2 | 67% | 0.669 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -15.2 | -179.6 | -28.5 | 36.1 | 0 | 0 | 0 | 116 | ||
| 1245 | S | 49.7 | Very low | 51.7 | Low | 106 Ų | 106 | 89.2 Ų | 89.2 | 74% | 0.741 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -7.9 | 174.1 | 51.5 | 0 | 0 | 0 | 0 | 114.9 | P1243 | P1243-S1245 PolarHBondContact O-N 3.35Š|
| 1246 | H | 58.2 | Low | 53.5 | Low | 54 Ų | 54 | 87.2 Ų | 87.2 | 25% | 0.25 | 46% | 0.464 | C | S | . | . | S | Bend | trans | -66.3 | 135.5 | -176.5 | -162.4 | -97.6 | 0 | 0 | 0 | 111.2 | L1242 P1243 S1248 Y1249 | L1242-H1246 HydrophobicContact CB-CB 4.05Å; P1243-H1246 WeakPolarHBondContact O-CB 3.31Å; P1243-H1246 PolarHBondContact O-N 3.3Å; H1246-S1248 PolarHBondContact CE1-OG 3.14Å; H1246-S1248 VanDerWaalsContact CE1-OG 3.29Å; H1246-S1248 PolarHBondContact ND1-OG 3.33Å; H1246-S1248 PolarHBondContact O-N 2.85Å; H1246-Y1249 HydrophobicContact CB-CD2 4.03Å; H1246-Y1249 HydrophobicContact CB-CE2 4.31Å; H1246-Y1249 WeakPolarHBondContact O-CB 3.34Å; H1246-Y1249 WeakPolarHBondContact O-CD2 3.44Å; H1246-Y1249 PolarHBondContact O-N 3.41Å |
| 1247 | P | 51.4 | Low | 55.5 | Low | 95 Ų | 95 | 84.8 Ų | 84.8 | 62% | 0.617 | 45% | 0.447 | S | S | * | . | G | 310 helix | trans | -57.4 | -23.2 | -173.2 | 20 | -33.6 | 0 | 0 | 0 | 114.7 | Y1249 K1250 | P1247-Y1249 PolarHBondContact O-N 3.43Å; P1247-K1250 PolarHBondContact O-N 2.9Å |
| 1248 | S | 52.2 | Low | 57.5 | Low | 29 Ų | 29 | 82.7 Ų | 82.7 | 20% | 0.203 | 44% | 0.437 | C | S | . | . | G | 310 helix | trans | -61.3 | -23.1 | 174.1 | -49.1 | 0 | 0 | 0 | 0 | 114.8 | H1246 K1250 L1251 | H1246-S1248 PolarHBondContact CE1-OG 3.14Å; H1246-S1248 VanDerWaalsContact CE1-OG 3.29Å; H1246-S1248 PolarHBondContact ND1-OG 3.33Å; H1246-S1248 PolarHBondContact O-N 2.85Å; S1248-K1250 PolarHBondContact O-N 3.27Å; S1248-L1251 PolarHBondContact O-N 3.27Å |
| 1249 | Y | 49.6 | Very low | 59.6 | Low | 45 Ų | 45 | 77.5 Ų | 77.5 | 18% | 0.176 | 41% | 0.413 | C | S | . | . | G | 310 helix | trans | -64.9 | -4.5 | 177.5 | -84.3 | -89.4 | 0 | 0 | 0 | 113.9 | L1242 P1243 H1246 P1247 L1251 S1256 L1261 | L1242-Y1249 HydrophobicContact CB-CE2 4.29Å; L1242-Y1249 PolarHBondContact O-OH 3.21Å; L1242-Y1249 VanDerWaalsContact O-OH 3.07Å; P1243-Y1249 WeakPolarHBondContact O-CE2 3.47Å; H1246-Y1249 HydrophobicContact CB-CD2 4.03Å; H1246-Y1249 HydrophobicContact CB-CE2 4.31Å; H1246-Y1249 WeakPolarHBondContact O-CB 3.34Å; H1246-Y1249 WeakPolarHBondContact O-CD2 3.44Å; H1246-Y1249 PolarHBondContact O-N 3.41Å; P1247-Y1249 PolarHBondContact O-N 3.43Å; Y1249-L1251 PolarHBondContact O-N 2.98Å; Y1249-S1256 WeakPolarHBondContact CE1-OG 3.28Å; Y1249-L1261 HydrophobicContact CD1-CD1 3.88Å; Y1249-L1261 HydrophobicContact CD2-CD1 3.93Å; Y1249-L1261 HydrophobicContact CE1-CD1 3.67Å; Y1249-L1261 HydrophobicContact CE1-CG 4.03Å; Y1249-L1261 HydrophobicContact CE2-CB 4.48Å; Y1249-L1261 HydrophobicContact CE2-CD1 3.7Å; Y1249-L1261 HydrophobicContact CE2-CG 4.23Å; Y1249-L1261 HydrophobicContact CG-CD1 4.02Å |
| 1250 | K | 50.9 | Low | 61 | Low | 177 Ų | 177 | 73.9 Ų | 73.9 | 77% | 0.77 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -68.5 | -6.7 | 169.2 | -71.1 | -178.2 | 176.5 | 177.5 | 0 | 114.3 | P1247 S1248 H1252 | P1247-K1250 PolarHBondContact O-N 2.9Å; S1248-K1250 PolarHBondContact O-N 3.27Å; K1250-H1252 PolarHBondContact O-N 3.34Å; K1250-H1252 VanDerWaalsContact O-N 3.07Å |
| 1251 | L | 55.7 | Low | 62.5 | Low | 44 Ų | 44 | 67 Ų | 67 | 23% | 0.23 | 37% | 0.367 | C | S | . | . | trans | -73.2 | 92.6 | 166.7 | -65.5 | 174.8 | 0 | 0 | 0 | 109.6 | S1248 Y1249 E1253 L1383 T1384 L1421 | S1248-L1251 PolarHBondContact O-N 3.27Å; Y1249-L1251 PolarHBondContact O-N 2.98Å; L1251-E1253 PolarHBondContact O-N 3.22Å; L1251-L1383 HydrophobicContact CD1-CB 4.01Å; L1251-T1384 HydrophobicContact CD1-CG2 3.91Å; L1251-L1421 HydrophobicContact CD1-CD2 3.56Å | ||
| 1252 | H | 48.3 | Very low | 63.5 | Low | 195 Ų | 195 | 66 Ų | 66 | 90% | 0.903 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -62.1 | 19.6 | -170.2 | -97.6 | -80.3 | 0 | 0 | 0 | 117.4 | K1250 | K1250-H1252 PolarHBondContact O-N 3.34Å; K1250-H1252 VanDerWaalsContact O-N 3.07Å |
| 1253 | E | 59.2 | Low | 64.2 | Low | 57 Ų | 57 | 68.8 Ų | 68.8 | 27% | 0.266 | 37% | 0.371 | S | S | . | . | S | Bend | trans | -134.6 | 24.4 | -160.6 | -152.5 | -171.3 | -112.4 | 0 | 0 | 113.9 | L1251 L1314 R1381 | L1251-E1253 PolarHBondContact O-N 3.22Å; E1253-L1314 HydrophobicContact CG-CD1 4.13Å; E1253-L1314 WeakPolarHBondContact OE2-CD1 3.42Å; E1253-R1381 PolarHBondContact O-NH1 3.22Å; E1253-R1381 IonicContact OE2-CZ 3.56Å; E1253-R1381 IonicContact OE2-NH2 2.67Å; E1253-R1381 PolarHBondContact OE2-NH2 3.42Å |
| 1254 | I | 64.6 | Low | 65.6 | Low | 30 Ų | 30 | 65.7 Ų | 65.7 | 15% | 0.154 | 35% | 0.351 | C | S | . | . | trans | -141 | 122.3 | -176.8 | -46.6 | 173 | 0 | 0 | 0 | 110.3 | S1256 W1259 L1261 L1383 A1423 | I1254-S1256 PolarHBondContact O-N 3.4Å; I1254-W1259 HydrophobicContact CG2-CB 3.75Å; I1254-W1259 HydrophobicContact CG2-CG 3.9Å; I1254-L1261 HydrophobicContact CD1-CD2 3.8Å; I1254-L1261 HydrophobicContact CG2-CD2 4.18Å; I1254-L1383 HydrophobicContact CD1-CD1 3.28Å; I1254-L1383 HydrophobicContact CD1-CD2 3.5Å; I1254-L1383 HydrophobicContact CD1-CG 3.98Å; I1254-L1383 HydrophobicContact CG1-CD2 4.36Å; I1254-A1423 HydrophobicContact CD1-CB 4.43Å; I1254-A1423 HydrophobicContact CG2-CB 4.31Å | ||
| 1255 | D | 68.5 | Low | 67.3 | Low | 63 Ų | 63 | 63.3 Ų | 63.3 | 34% | 0.337 | 33% | 0.333 | S | S | . | . | trans | -72.2 | 115.4 | 172.7 | -168.9 | -23.3 | 0 | 0 | 0 | 110.5 | S1257 H1258 W1259 | D1255-S1257 PolarHBondContact O-N 3.4Å; D1255-S1257 VanDerWaalsContact OD1-CB 3.3Å; D1255-S1257 WeakPolarHBondContact OD1-CB 3.44Å; D1255-S1257 PolarHBondContact OD1-N 3.37Å; D1255-S1257 PolarHBondContact OD1-OG 3.41Å; D1255-S1257 PolarHBondContact OD2-OG 3.14Å; D1255-H1258 IonicContact OD2-CD2 2.72Å; D1255-W1259 PolarHBondContact O-N 2.81Å | ||
| 1256 | S | 62.7 | Low | 69 | Low | 53 Ų | 53 | 58.3 Ų | 58.3 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | 0.5 | -178.4 | -53.7 | 0 | 0 | 0 | 0 | 113.8 | Y1249 I1254 R1426 | Y1249-S1256 WeakPolarHBondContact CE1-OG 3.28Å; I1254-S1256 PolarHBondContact O-N 3.4Å; S1256-R1426 PolarHBondContact O-NH1 2.99Å; S1256-R1426 PolarHBondContact O-NH2 3.46Å |
| 1257 | S | 66 | Low | 70.1 | Confident | 65 Ų | 65 | 61.2 Ų | 61.2 | 46% | 0.455 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -48.7 | 171 | 67 | 0 | 0 | 0 | 0 | 111.7 | D1255 R1426 | D1255-S1257 PolarHBondContact O-N 3.4Å; D1255-S1257 VanDerWaalsContact OD1-CB 3.3Å; D1255-S1257 WeakPolarHBondContact OD1-CB 3.44Å; D1255-S1257 PolarHBondContact OD1-N 3.37Å; D1255-S1257 PolarHBondContact OD1-OG 3.41Å; D1255-S1257 PolarHBondContact OD2-OG 3.14Å; S1257-R1426 WeakPolarHBondContact O-CD 3.36Å; S1257-R1426 PolarHBondContact O-NH1 2.73Å |
| 1258 | H | 72.1 | Confident | 71.4 | Confident | 83 Ų | 83 | 57.2 Ų | 57.2 | 38% | 0.384 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -23.5 | -177.5 | -69.7 | -72.7 | 0 | 0 | 0 | 114.4 | D1255 R1426 | D1255-H1258 IonicContact OD2-CD2 2.72Å; H1258-R1426 PolarHBondContact O-N 2.63Å |
| 1259 | W | 80 | Confident | 72.2 | Confident | 51 Ų | 51 | 58.9 Ų | 58.9 | 19% | 0.193 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 138.5 | -174.9 | -61 | 83.9 | 0 | 0 | 0 | 112.7 | I1254 D1255 F1360 R1381 A1423 R1424 P1425 R1426 | I1254-W1259 HydrophobicContact CG2-CB 3.75Å; I1254-W1259 HydrophobicContact CG2-CG 3.9Å; D1255-W1259 PolarHBondContact O-N 2.81Å; W1259-F1360 AromaticContact CH2-CE1 3.91Å; W1259-F1360 HydrophobicContact CH2-CE1 3.91Å; W1259-R1381 HydrophobicContact CZ3-CB 4.1Å; W1259-A1423 HydrophobicContact CB-CB 4.16Å; W1259-A1423 HydrophobicContact CD2-CB 4.19Å; W1259-A1423 HydrophobicContact CE3-CB 3.65Å; W1259-A1423 HydrophobicContact CG-CB 4.42Å; W1259-A1423 HydrophobicContact CZ3-CB 4.44Å; W1259-A1423 WeakPolarHBondContact CZ3-O 3.44Å; W1259-R1424 WeakPolarHBondContact CA-O 3.36Å; W1259-R1424 VanDerWaalsContact CE3-C 3.45Å; W1259-P1425 HydrophobicContact CE3-CG 4.26Å; W1259-P1425 HydrophobicContact CH2-CG 4.01Å; W1259-P1425 HydrophobicContact CZ3-CG 3.76Å; W1259-R1426 PolarHBondContact O-NH2 3.02Å |
| 1260 | S | 83 | Confident | 72.4 | Confident | 8 Ų | 8 | 60.1 Ų | 60.1 | 6% | 0.056 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 125.9 | 165.1 | -80.8 | 0 | 0 | 0 | 0 | 109.3 | P1241 Y1262 A1423 R1424 R1426 | P1241-S1260 WeakPolarHBondContact CG-OG 3.34Å; S1260-Y1262 VanDerWaalsContact CB-CE2 3.49Å; S1260-Y1262 WeakPolarHBondContact O-CD2 3.38Å; S1260-Y1262 WeakPolarHBondContact O-CE2 3.33Å; S1260-A1423 WeakPolarHBondContact O-CA 3.5Å; S1260-R1424 PolarHBondContact N-O 3.05Å; S1260-R1424 PolarHBondContact O-N 3.5Å; S1260-R1426 WeakPolarHBondContact OG-CG 3.47Å; S1260-R1426 PolarHBondContact OG-NE 3.23Å |
| 1261 | L | 87.6 | Confident | 72 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 143.3 | 174.7 | -56.2 | -167.7 | 0 | 0 | 0 | 110.2 | P1241 L1242 Y1249 I1254 L1383 I1422 A1423 | P1241-L1261 CarbonylContact C-O 3.54Å; P1241-L1261 VanDerWaalsContact CA-O 3.31Å; P1241-L1261 WeakPolarHBondContact CA-O 3.46Å; L1242-L1261 HydrophobicContact CB-CB 4.22Å; L1242-L1261 HydrophobicContact CD1-CB 4.06Å; L1242-L1261 HydrophobicContact CG-CB 4.47Å; L1242-L1261 PolarHBondContact N-O 2.92Å; Y1249-L1261 HydrophobicContact CD1-CD1 3.88Å; Y1249-L1261 HydrophobicContact CD2-CD1 3.93Å; Y1249-L1261 HydrophobicContact CE1-CD1 3.67Å; Y1249-L1261 HydrophobicContact CE1-CG 4.03Å; Y1249-L1261 HydrophobicContact CE2-CB 4.48Å; Y1249-L1261 HydrophobicContact CE2-CD1 3.7Å; Y1249-L1261 HydrophobicContact CE2-CG 4.23Å; Y1249-L1261 HydrophobicContact CG-CD1 4.02Å; I1254-L1261 HydrophobicContact CD1-CD2 3.8Å; I1254-L1261 HydrophobicContact CG2-CD2 4.18Å; L1261-L1383 HydrophobicContact CD2-CD1 3.84Å; L1261-I1422 CarbonylContact C-O 3.58Å; L1261-I1422 VanDerWaalsContact CA-O 3.28Å; L1261-I1422 WeakPolarHBondContact CA-O 3.41Å; L1261-A1423 HydrophobicContact CD2-CB 3.63Å |
| 1262 | Y | 88.9 | Confident | 71 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 13% | 0.125 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 152.3 | 173 | -59.3 | -94.3 | 0 | 0 | 0 | 110.6 | F1239 H1240 P1241 S1260 I1422 R1424 | F1239-Y1262 HydrophobicContact CB-CD1 3.99Å; F1239-Y1262 HydrophobicContact CB-CE1 3.72Å; F1239-Y1262 WeakPolarHBondContact O-CE1 3.25Å; H1240-Y1262 VanDerWaalsContact C-CE1 3.46Å; H1240-Y1262 WeakPolarHBondContact O-CD1 3.37Å; P1241-Y1262 HydrophobicContact CG-CE1 4.24Å; S1260-Y1262 VanDerWaalsContact CB-CE2 3.49Å; S1260-Y1262 WeakPolarHBondContact O-CD2 3.38Å; S1260-Y1262 WeakPolarHBondContact O-CE2 3.33Å; Y1262-I1422 HydrophobicContact CD2-CD1 4.33Å; Y1262-I1422 HydrophobicContact CD2-CG1 4.4Å; Y1262-I1422 PolarHBondContact N-O 3.18Å; Y1262-I1422 PolarHBondContact O-N 3.47Å; Y1262-R1424 HydrophobicContact CD2-CB 4.11Å; Y1262-R1424 HydrophobicContact CE2-CB 3.8Å |
| 1263 | L | 87.3 | Confident | 69.9 | Low | 82 Ų | 82 | 59.9 Ų | 59.9 | 43% | 0.429 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.9 | 169.1 | -168 | 72.9 | 0 | 0 | 0 | 108.1 | L1242 L1420 L1421 | L1242-L1263 HydrophobicContact CD1-CB 4.28Å; L1242-L1263 HydrophobicContact CD2-CB 4.17Å; L1263-L1420 CarbonylContact C-O 3.48Å; L1263-L1420 WeakPolarHBondContact CA-O 3.26Å; L1263-L1421 HydrophobicContact CD1-CB 4.44Å; L1263-L1421 HydrophobicContact CD1-CD1 4.14Å |
| 1264 | L | 89.5 | Confident | 68.5 | Low | 3 Ų | 3 | 64.3 Ų | 64.3 | 2% | 0.016 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 140 | -178.9 | -59.3 | 177.4 | 0 | 0 | 0 | 109.4 | I1266 R1375 L1376 H1419 L1420 I1422 | L1264-I1266 HydrophobicContact CB-CG1 4.48Å; L1264-R1375 HydrophobicContact CD1-CB 4.3Å; L1264-R1375 HydrophobicContact CD2-CB 3.67Å; L1264-L1376 HydrophobicContact CD1-CB 4.12Å; L1264-L1376 HydrophobicContact CD1-CD1 3.81Å; L1264-H1419 CarbonylContact O-C 3.53Å; L1264-H1419 WeakPolarHBondContact O-CA 3.31Å; L1264-L1420 HydrophobicContact CB-CB 4.35Å; L1264-L1420 PolarHBondContact N-O 2.88Å; L1264-L1420 PolarHBondContact O-N 2.92Å; L1264-I1422 HydrophobicContact CD1-CD1 3.72Å; L1264-I1422 HydrophobicContact CD1-CG1 4.28Å; L1264-I1422 HydrophobicContact CG-CD1 4.39Å |
| 1265 | N | 87.8 | Confident | 66.7 | Low | 53 Ų | 53 | 72.1 Ų | 72.1 | 28% | 0.283 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 78.4 | -176.1 | -63.1 | -7.7 | 0 | 0 | 0 | 109 | H1267 R1375 V1418 H1419 | N1265-H1267 PolarHBondContact O-N 2.94Å; N1265-R1375 PolarHBondContact O-NH2 2.74Å; N1265-V1418 CarbonylContact C-O 3.58Å; N1265-V1418 WeakPolarHBondContact CA-O 3.28Å; N1265-H1419 PolarHBondContact OD1-ND1 3.15Å |
| 1266 | I | 85.1 | Confident | 64.7 | Low | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 117.6 | -169.3 | -57.8 | -168.1 | 0 | 0 | 0 | 109.8 | L1264 L1305 P1369 A1370 D1373 L1376 C1417 V1418 L1420 | L1264-I1266 HydrophobicContact CB-CG1 4.48Å; I1266-L1305 HydrophobicContact CB-CD1 3.93Å; I1266-L1305 HydrophobicContact CD1-CD1 4.11Å; I1266-L1305 HydrophobicContact CG2-CD1 3.79Å; I1266-P1369 HydrophobicContact CG2-CB 4.18Å; I1266-A1370 HydrophobicContact CD1-CB 3.95Å; I1266-D1373 HydrophobicContact CG1-CB 4.39Å; I1266-D1373 HydrophobicContact CG2-CB 3.96Å; I1266-L1376 HydrophobicContact CD1-CB 4.14Å; I1266-L1376 HydrophobicContact CD1-CD2 4.24Å; I1266-C1417 CarbonylContact O-C 3.49Å; I1266-C1417 VanDerWaalsContact O-CA 3.28Å; I1266-C1417 WeakPolarHBondContact O-CA 3.41Å; I1266-V1418 PolarHBondContact N-O 3.43Å; I1266-V1418 PolarHBondContact O-N 2.89Å; I1266-L1420 HydrophobicContact CD1-CD1 3.59Å; I1266-L1420 HydrophobicContact CG1-CD1 4.09Å |
| 1267 | H | 80.9 | Confident | 63 | Low | 116 Ų | 116 | 77.8 Ų | 77.8 | 54% | 0.537 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 140.7 | 175.4 | -80.7 | -81.7 | 0 | 0 | 0 | 111.6 | N1265 | N1265-H1267 PolarHBondContact O-N 2.94Å |
| 1268 | L | 80.3 | Confident | 61.2 | Low | 10 Ų | 10 | 84.5 Ų | 84.5 | 5% | 0.052 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -103.7 | 138 | 178.2 | -64.9 | 160.2 | 0 | 0 | 0 | 109.7 | L1270 P1369 I1406 P1416 V1418 | L1268-L1270 PolarHBondContact O-N 2.9Å; L1268-P1369 HydrophobicContact CD2-CB 4.2Å; L1268-P1369 HydrophobicContact CD2-CG 4.11Å; L1268-I1406 HydrophobicContact CD1-CG2 3.63Å; L1268-I1406 HydrophobicContact CD2-CG2 3.91Å; L1268-I1406 HydrophobicContact CG-CG2 4.43Å; L1268-P1416 HydrophobicContact CB-CB 4.01Å; L1268-P1416 HydrophobicContact CB-CG 4.02Å; L1268-P1416 HydrophobicContact CD1-CB 3.93Å; L1268-P1416 PolarHBondContact N-O 3.43Å; L1268-V1418 HydrophobicContact CD1-CG2 3.5Å; L1268-V1418 VanDerWaalsContact CD1-CG2 3.5Å; L1268-V1418 HydrophobicContact CD2-CG2 4.27Å; L1268-V1418 HydrophobicContact CG-CG2 3.93Å |
| 1269 | P | 67.8 | Low | 59 | Low | 64 Ų | 64 | 87.9 Ų | 87.9 | 42% | 0.416 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 126.2 | 176.7 | 28.2 | -33.6 | 0 | 0 | 0 | 110.9 | T1271 P1369 | P1269-T1271 PolarHBondContact O-N 3.06Å; P1269-P1369 HydrophobicContact CG-CG 4.23Å |
| 1270 | L | 54.7 | Low | 56.4 | Low | 72 Ų | 72 | 91.5 Ų | 91.5 | 38% | 0.377 | 48% | 0.479 | S | S | . | . | trans | -72.2 | 108.7 | 176.7 | -77.1 | 155 | 0 | 0 | 0 | 111.1 | L1268 K1272 P1414 P1416 | L1268-L1270 PolarHBondContact O-N 2.9Å; L1270-K1272 HydrophobicContact CB-CG 4.42Å; L1270-K1272 PolarHBondContact O-N 2.87Å; L1270-P1414 VanDerWaalsContact CD1-O 3.31Å; L1270-P1414 WeakPolarHBondContact CD1-O 3.42Å; L1270-P1416 VanDerWaalsContact CD2-CD 3.46Å; L1270-P1416 HydrophobicContact CD2-CG 3.79Å; L1270-P1416 HydrophobicContact CG-CG 3.99Å | ||
| 1271 | T | 42.9 | Very low | 53.7 | Low | 118 Ų | 118 | 96.4 Ų | 96.4 | 72% | 0.724 | 51% | 0.509 | S | S | * | . | trans | -76.7 | 66 | 170.1 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | P1269 T1273 | P1269-T1271 PolarHBondContact O-N 3.06Å; T1271-T1273 PolarHBondContact O-N 3.21Å; T1271-T1273 VanDerWaalsContact O-N 3.11Å | ||
| 1272 | K | 33.1 | Very low | 50.8 | Low | 175 Ų | 175 | 102.6 Ų | 102.6 | 76% | 0.761 | 54% | 0.54 | S | S | * | . | trans | -72.8 | 98.4 | 172.6 | -77.2 | -174.7 | 179.3 | 179.7 | 0 | 110.5 | L1270 | L1270-K1272 HydrophobicContact CB-CG 4.42Å; L1270-K1272 PolarHBondContact O-N 2.87Å | ||
| 1273 | T | 26.7 | Very low | 47.7 | Very low | 118 Ų | 118 | 111.1 Ų | 111.1 | 72% | 0.724 | 57% | 0.573 | S | S | * | * | trans | -71.6 | 148.4 | 155.4 | 47.7 | 0 | 0 | 0 | 0 | 109.9 | T1271 | T1271-T1273 PolarHBondContact O-N 3.21Å; T1271-T1273 VanDerWaalsContact O-N 3.11Å | ||
| 1274 | N | 28.7 | Very low | 44.7 | Very low | 149 Ų | 149 | 114.4 Ų | 114.4 | 80% | 0.797 | 59% | 0.586 | S | S | * | * | trans | 80.3 | 86.3 | 176.2 | -47.7 | -15.2 | 0 | 0 | 0 | 115.9 | P1276 | N1274-P1276 WeakPolarHBondContact O-CD 3.31Š| ||
| 1275 | E | 27.3 | Very low | 41.7 | Very low | 194 Ų | 194 | 120.9 Ų | 120.9 | 91% | 0.907 | 62% | 0.62 | S | S | * | * | trans | -84.2 | 112.5 | 140.1 | -87.2 | -89.1 | 120.9 | 0 | 0 | 107.8 | ||||
| 1276 | P | 26.5 | Very low | 38.7 | Very low | 92 Ų | 92 | 124.3 Ų | 124.3 | 60% | 0.597 | 64% | 0.643 | S | S | * | * | trans | -84.5 | 176.5 | 161.3 | 35.4 | -33.1 | 0 | 0 | 0 | 111.4 | N1274 | N1274-P1276 WeakPolarHBondContact O-CD 3.31Š| ||
| 1277 | D | 26.8 | Very low | 35.7 | Very low | 144 Ų | 144 | 131.9 Ų | 131.9 | 77% | 0.77 | 68% | 0.684 | S | S | * | * | trans | 72.8 | 67.3 | 164.2 | -59.9 | -19.1 | 0 | 0 | 0 | 119.5 | ||||
| 1278 | K | 28.7 | Very low | 33 | Very low | 205 Ų | 205 | 131.4 Ų | 131.4 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | trans | -137.4 | 47.3 | 140.2 | -131.1 | 175.3 | -172 | 178.6 | 0 | 113.4 | ||||
| 1279 | I | 24.9 | Very low | 30.4 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | -95.4 | 102.7 | -179.7 | -60.1 | 177.3 | 0 | 0 | 0 | 111.3 | ||||
| 1280 | T | 26.3 | Very low | 28.3 | Very low | 127 Ų | 127 | 142 Ų | 142 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -174.8 | 136.6 | 149.7 | 12.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1281 | T | 27 | Very low | 27 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | cis | -155.1 | 144.5 | 20.1 | 8.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1282 | I | 25.3 | Very low | 26.2 | Very low | 134 Ų | 134 | 150.5 Ų | 150.5 | 69% | 0.687 | 78% | 0.78 | S | S | * | * | trans | 67.6 | 104.3 | 143.9 | -62.8 | 167.7 | 0 | 0 | 0 | 116 | ||||
| 1283 | R | 23.7 | Very low | 25.7 | Very low | 212 Ų | 212 | 147 Ų | 147 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | 64 | 139 | 95.5 | -64.9 | 171.9 | -177.4 | 164.9 | -1 | 114.1 | |||||
| 1284 | Q | 24.5 | Very low | 25.6 | Very low | 151 Ų | 151 | 148.1 Ų | 148.1 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | cis | -158.9 | -176.7 | 20 | -136.6 | 164.6 | -83.9 | 0 | 0 | 113 | ||||
| 1285 | D | 27.6 | Very low | 25.5 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 78.4 | 167.8 | 164.1 | -51.1 | -18.6 | 0 | 0 | 0 | 118.6 | ||||
| 1286 | T | 23.8 | Very low | 25.4 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 77% | 0.767 | 77% | 0.769 | S | S | * | * | trans | -128.3 | 167 | -132.7 | 48.2 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1287 | D | 22.6 | Very low | 25.3 | Very low | 159 Ų | 159 | 151 Ų | 151 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | 58.8 | 85.2 | 164.1 | -67.3 | -7.4 | 0 | 0 | 0 | 118.8 | ||||
| 1288 | S | 24.8 | Very low | 25.4 | Very low | 105 Ų | 105 | 153.2 Ų | 153.2 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | trans | -157.2 | 130.2 | 144.7 | 40.3 | 0 | 0 | 0 | 0 | 112.8 | I1290 | S1288-I1290 PolarHBondContact O-N 3.36Š| ||
| 1289 | T | 24.9 | Very low | 25.4 | Very low | 151 Ų | 151 | 150.3 Ų | 150.3 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | trans | -82.1 | 98.7 | 175.4 | 20.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1290 | I | 24.5 | Very low | 25.5 | Very low | 146 Ų | 146 | 146.1 Ų | 146.1 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | trans | -125.4 | 133.3 | 176.4 | -62.3 | -176.1 | 0 | 0 | 0 | 111.2 | S1288 | S1288-I1290 PolarHBondContact O-N 3.36Š| ||
| 1291 | H | 27.1 | Very low | 26 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 83% | 0.833 | 77% | 0.772 | S | S | * | * | trans | -64.8 | 139.8 | -174.3 | -60.4 | -91.9 | 0 | 0 | 0 | 113.6 | ||||
| 1292 | Q | 24.8 | Very low | 26.4 | Very low | 189 Ų | 189 | 146 Ų | 146 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -126.5 | 139.1 | 146.3 | -72.4 | -165.3 | -5 | 0 | 0 | 110.5 | T1294 | Q1292-T1294 PolarHBondContact O-N 3.18Š| ||
| 1293 | S | 22.6 | Very low | 27.8 | Very low | 100 Ų | 100 | 140.6 Ų | 140.6 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -53.3 | 121.5 | -170 | 50.9 | 0 | 0 | 0 | 0 | 114.6 | I1295 | S1293-I1295 PolarHBondContact O-N 2.88Š| ||
| 1294 | T | 26.2 | Very low | 30.1 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 87% | 0.871 | 73% | 0.727 | S | S | * | * | trans | -68.2 | 83.4 | 155.2 | -45.9 | 0 | 0 | 0 | 0 | 108.6 | Q1292 K1296 | Q1292-T1294 PolarHBondContact O-N 3.18Å; T1294-K1296 PolarHBondContact O-N 3.03Å | ||
| 1295 | I | 25 | Very low | 32.9 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 52% | 0.523 | 70% | 0.695 | S | S | . | * | trans | -50.8 | 129.2 | 169.5 | -59.5 | 170.8 | 0 | 0 | 0 | 106.9 | S1293 R1297 | S1293-I1295 PolarHBondContact O-N 2.88Å; I1295-R1297 HydrophobicContact CB-CG 4.12Å; I1295-R1297 HydrophobicContact CG2-CG 3.84Å; I1295-R1297 PolarHBondContact O-N 2.9Å | ||
| 1296 | K | 25.9 | Very low | 35.6 | Very low | 200 Ų | 200 | 119.9 Ų | 119.9 | 87% | 0.87 | 66% | 0.66 | S | S | * | * | trans | -69.6 | 62.5 | 167.7 | -71.7 | -177.1 | 177.8 | 176.6 | 0 | 110 | T1294 H1298 | T1294-K1296 PolarHBondContact O-N 3.03Å; K1296-H1298 PolarHBondContact O-N 2.84Å | ||
| 1297 | R | 23.5 | Very low | 38.6 | Very low | 195 Ų | 195 | 115.2 Ų | 115.2 | 74% | 0.736 | 63% | 0.631 | S | S | * | * | trans | -56 | 126.7 | 164.8 | -64 | -178.5 | -178.3 | 165.6 | 1.3 | 105.4 | I1295 T1299 | I1295-R1297 HydrophobicContact CB-CG 4.12Å; I1295-R1297 HydrophobicContact CG2-CG 3.84Å; I1295-R1297 PolarHBondContact O-N 2.9Å; R1297-T1299 PolarHBondContact O-N 2.7Å | ||
| 1298 | H | 29.4 | Very low | 41.7 | Very low | 190 Ų | 190 | 109.9 Ų | 109.9 | 88% | 0.88 | 61% | 0.606 | S | S | * | * | trans | -52.3 | 111.3 | -176.6 | -69.5 | -102.4 | 0 | 0 | 0 | 109.1 | K1296 G1300 | K1296-H1298 PolarHBondContact O-N 2.84Å; H1298-G1300 VanDerWaalsContact C-N 3.28Å; H1298-G1300 PolarHBondContact O-N 2.88Å | ||
| 1299 | T | 28.9 | Very low | 44.7 | Very low | 144 Ų | 144 | 106.3 Ų | 106.3 | 88% | 0.883 | 58% | 0.58 | S | S | * | * | trans | -68 | 93.7 | 175.5 | 34.6 | 0 | 0 | 0 | 0 | 107.1 | R1297 N1301 | R1297-T1299 PolarHBondContact O-N 2.7Å; T1299-N1301 PolarHBondContact O-N 2.95Å; T1299-N1301 VanDerWaalsContact O-N 3.14Å | ||
| 1300 | G | 27.9 | Very low | 47.7 | Very low | 66 Ų | 66 | 100.2 Ų | 100.2 | 68% | 0.68 | 54% | 0.543 | S | S | * | . | P | Polyproline II helix | trans | -56.8 | 120.3 | -166.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | H1298 | H1298-G1300 VanDerWaalsContact C-N 3.28Å; H1298-G1300 PolarHBondContact O-N 2.88Å |
| 1301 | N | 35.7 | Very low | 50.6 | Low | 130 Ų | 130 | 95 Ų | 95 | 70% | 0.695 | 52% | 0.518 | S | S | * | . | P | Polyproline II helix | trans | -49.6 | 135 | 154.4 | -95.2 | -57.7 | 0 | 0 | 0 | 107.3 | T1299 A1303 T1304 | T1299-N1301 PolarHBondContact O-N 2.95Å; T1299-N1301 VanDerWaalsContact O-N 3.14Å; N1301-A1303 VanDerWaalsContact O-CA 3.27Å; N1301-A1303 WeakPolarHBondContact O-CA 3.47Å; N1301-A1303 PolarHBondContact O-N 2.89Å; N1301-A1303 VanDerWaalsContact O-N 3.09Å; N1301-T1304 HydrophobicContact CB-CG2 3.99Å |
| 1302 | P | 35.3 | Very low | 53.1 | Low | 105 Ų | 105 | 91.7 Ų | 91.7 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | S | Bend | trans | -50.2 | 122 | -176.5 | 21.3 | -33.8 | 0 | 0 | 0 | 108.8 | T1304 | P1302-T1304 PolarHBondContact O-N 3.14Å; P1302-T1304 VanDerWaalsContact O-N 3.16Å |
| 1303 | A | 55.1 | Low | 55.5 | Low | 21 Ų | 21 | 89.7 Ų | 89.7 | 17% | 0.174 | 48% | 0.482 | C | S | . | . | P | Polyproline II helix | trans | -49.2 | 119.6 | -138.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | N1301 I1406 L1410 | N1301-A1303 VanDerWaalsContact O-CA 3.27Å; N1301-A1303 WeakPolarHBondContact O-CA 3.47Å; N1301-A1303 PolarHBondContact O-N 2.89Å; N1301-A1303 VanDerWaalsContact O-N 3.09Å; A1303-I1406 WeakPolarHBondContact O-CG2 3.3Å; A1303-L1410 HydrophobicContact CB-CD1 3.78Å; A1303-L1410 HydrophobicContact CB-CD2 4.24Å |
| 1304 | T | 72.6 | Confident | 57.6 | Low | 62 Ų | 62 | 87.1 Ų | 87.1 | 38% | 0.38 | 46% | 0.461 | S | S | . | . | P | Polyproline II helix | trans | -88.9 | 151.4 | -178.3 | 76.8 | 0 | 0 | 0 | 0 | 109.7 | N1301 P1302 G1306 P1369 | N1301-T1304 HydrophobicContact CB-CG2 3.99Å; P1302-T1304 PolarHBondContact O-N 3.14Å; P1302-T1304 VanDerWaalsContact O-N 3.16Å; T1304-G1306 PolarHBondContact O-N 2.84Å; T1304-G1306 PolarHBondContact OG1-N 3.29Å; T1304-P1369 VanDerWaalsContact O-CD 3.25Å; T1304-P1369 WeakPolarHBondContact O-CD 3.37Å; T1304-P1369 WeakPolarHBondContact O-CG 3.35Å |
| 1305 | L | 82 | Confident | 58.6 | Low | 5 Ų | 5 | 85 Ų | 85 | 3% | 0.026 | 45% | 0.452 | C | S | . | . | trans | -58.4 | -8.6 | 172.1 | -173.7 | 64.9 | 0 | 0 | 0 | 113.5 | I1266 V1307 A1370 I1406 V1418 L1420 | I1266-L1305 HydrophobicContact CB-CD1 3.93Å; I1266-L1305 HydrophobicContact CD1-CD1 4.11Å; I1266-L1305 HydrophobicContact CG2-CD1 3.79Å; L1305-V1307 HydrophobicContact CB-CG2 4.19Å; L1305-V1307 HydrophobicContact CD2-CG1 4.34Å; L1305-V1307 HydrophobicContact CD2-CG2 3.98Å; L1305-V1307 HydrophobicContact CG-CG1 4.2Å; L1305-V1307 HydrophobicContact CG-CG2 4.3Å; L1305-A1370 WeakPolarHBondContact O-CB 3.45Å; L1305-A1370 PolarHBondContact O-N 3.37Å; L1305-I1406 HydrophobicContact CB-CD1 3.86Å; L1305-V1418 HydrophobicContact CD1-CB 4.16Å; L1305-V1418 HydrophobicContact CD1-CG1 4.2Å; L1305-V1418 HydrophobicContact CD1-CG2 4.25Å; L1305-L1420 HydrophobicContact CD2-CD1 3.86Å; L1305-L1420 HydrophobicContact CD2-CD2 4.16Å | ||
| 1306 | G | 84.8 | Confident | 59.1 | Low | 1 Ų | 1 | 85 Ų | 85 | 1% | 0.01 | 45% | 0.453 | C | S | . | . | S | Bend | trans | 79.4 | 35.2 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1304 I1365 | T1304-G1306 PolarHBondContact O-N 2.84Å; T1304-G1306 PolarHBondContact OG1-N 3.29Å; G1306-I1365 PolarHBondContact O-N 2.75Å |
| 1307 | V | 87.4 | Confident | 59.3 | Low | 26 Ų | 26 | 81.7 Ų | 81.7 | 16% | 0.158 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 145.2 | -176.6 | -54.6 | 0 | 0 | 0 | 0 | 111.8 | L1305 V1309 A1370 L1376 | L1305-V1307 HydrophobicContact CB-CG2 4.19Å; L1305-V1307 HydrophobicContact CD2-CG1 4.34Å; L1305-V1307 HydrophobicContact CD2-CG2 3.98Å; L1305-V1307 HydrophobicContact CG-CG1 4.2Å; L1305-V1307 HydrophobicContact CG-CG2 4.3Å; V1307-V1309 HydrophobicContact CG2-CG1 4.12Å; V1307-A1370 HydrophobicContact CG1-CB 3.51Å; V1307-L1376 HydrophobicContact CG1-CD2 3.52Å |
| 1308 | S | 86.6 | Confident | 59.6 | Low | 48 Ų | 48 | 77 Ų | 77 | 34% | 0.336 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 130.2 | 163.2 | -171.1 | 0 | 0 | 0 | 0 | 108.9 | R1362 T1363 | S1308-R1362 PolarHBondContact O-N 3.47Å; S1308-T1363 WeakPolarHBondContact CB-OG1 3.2Å; S1308-T1363 PolarHBondContact N-O 2.83Å; S1308-T1363 PolarHBondContact O-N 3.18Å |
| 1309 | V | 89.1 | Confident | 59.4 | Low | 29 Ų | 29 | 71.7 Ų | 71.7 | 18% | 0.176 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 140.7 | -179 | -65.1 | 0 | 0 | 0 | 0 | 112.1 | V1307 V1359 F1360 L1382 L1399 L1402 | V1307-V1309 HydrophobicContact CG2-CG1 4.12Å; V1309-V1359 HydrophobicContact CB-CG1 3.74Å; V1309-V1359 HydrophobicContact CG1-CG1 3.93Å; V1309-V1359 HydrophobicContact CG2-CG1 4.05Å; V1309-F1360 CarbonylContact C-O 3.47Å; V1309-F1360 VanDerWaalsContact CA-O 3.32Å; V1309-F1360 WeakPolarHBondContact CA-O 3.3Å; V1309-L1382 HydrophobicContact CG1-CD1 3.83Å; V1309-L1399 HydrophobicContact CG2-CD2 3.61Å; V1309-L1402 HydrophobicContact CG2-CD1 4.07Å |
| 1310 | S | 86.8 | Confident | 59.3 | Low | 24 Ų | 24 | 70 Ų | 70 | 17% | 0.168 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 124.6 | 166.8 | 67.8 | 0 | 0 | 0 | 0 | 109.6 | R1312 F1360 | S1310-R1312 PolarHBondContact OG-NE 3.44Å; S1310-F1360 PolarHBondContact N-O 3.16Å; S1310-F1360 PolarHBondContact O-N 3.06Å |
| 1311 | V | 85.5 | Confident | 59.2 | Low | 35 Ų | 35 | 73.9 Ų | 73.9 | 21% | 0.212 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 119.5 | 170.6 | -175.7 | 0 | 0 | 0 | 0 | 108 | N1357 A1358 V1359 T1395 | V1311-N1357 HydrophobicContact CG1-CB 3.78Å; V1311-A1358 WeakPolarHBondContact CA-O 3.4Å; V1311-V1359 HydrophobicContact CG2-CG2 4.24Å; V1311-T1395 HydrophobicContact CB-CG2 3.99Å; V1311-T1395 HydrophobicContact CG2-CG2 3.89Å |
| 1312 | R | 81.2 | Confident | 58.8 | Low | 112 Ų | 112 | 75.4 Ų | 75.4 | 42% | 0.423 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 144.4 | -177.9 | -52.4 | -178.5 | -173.9 | -165.2 | 2.6 | 108.8 | S1310 A1358 F1360 | S1310-R1312 PolarHBondContact OG-NE 3.44Å; R1312-A1358 PolarHBondContact N-O 2.85Å; R1312-A1358 PolarHBondContact O-N 2.98Å; R1312-F1360 HydrophobicContact CB-CD2 4.13Å; R1312-F1360 HydrophobicContact CB-CE2 3.97Å; R1312-F1360 HydrophobicContact CG-CD2 3.91Å; R1312-F1360 HydrophobicContact CG-CE2 4.2Å |
| 1313 | R | 74.8 | Confident | 58.4 | Low | 146 Ų | 146 | 75.3 Ų | 75.3 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 132.8 | 166.6 | -79.7 | -173.9 | 175 | 171.3 | 3.2 | 109.8 | S1315 D1353 W1356 N1357 | R1313-S1315 PolarHBondContact O-N 3.08Å; R1313-D1353 IonicContact CZ-OD2 2.65Å; R1313-D1353 IonicContact NH1-OD2 2.71Å; R1313-D1353 PolarHBondContact NH2-O 2.98Å; R1313-D1353 IonicContact NH2-OD1 2.86Å; R1313-D1353 IonicContact NH2-OD2 3.85Å; R1313-D1353 PolarHBondContact NH2-OD2 2.81Å; R1313-W1356 CarbonylContact C-O 3.52Å; R1313-W1356 WeakPolarHBondContact CA-O 3.42Å; R1313-N1357 WeakPolarHBondContact CG-OD1 3.25Å |
| 1314 | L | 66.8 | Low | 56.9 | Low | 46 Ų | 46 | 81.8 Ų | 81.8 | 24% | 0.241 | 46% | 0.461 | C | S | . | . | trans | -74 | 115.6 | 165.6 | -60.4 | 177.2 | 0 | 0 | 0 | 108.2 | E1253 W1356 A1358 F1360 | E1253-L1314 HydrophobicContact CG-CD1 4.13Å; E1253-L1314 WeakPolarHBondContact OE2-CD1 3.42Å; L1314-W1356 PolarHBondContact N-O 3.32Å; L1314-A1358 HydrophobicContact CD1-CB 4.05Å; L1314-A1358 HydrophobicContact CD2-CB 3.82Å; L1314-A1358 HydrophobicContact CG-CB 3.81Å; L1314-F1360 HydrophobicContact CD2-CZ 4.36Å | ||
| 1315 | S | 46.6 | Very low | 54.7 | Low | 98 Ų | 98 | 85.1 Ų | 85.1 | 69% | 0.685 | 48% | 0.481 | S | S | * | . | trans | -79.5 | 125.8 | 172.3 | 50.3 | 0 | 0 | 0 | 0 | 110.1 | R1313 N1317 | R1313-S1315 PolarHBondContact O-N 3.08Å; S1315-N1317 PolarHBondContact O-N 3.1Å | ||
| 1316 | N | 35.4 | Very low | 52 | Low | 102 Ų | 102 | 91.3 Ų | 91.3 | 55% | 0.545 | 51% | 0.514 | S | S | . | . | S | Bend | trans | -75.6 | 38.1 | -169.3 | -83 | -45.6 | 0 | 0 | 0 | 116.1 | W1356 | N1316-W1356 VanDerWaalsContact ND2-CE2 3.29Å; N1316-W1356 VanDerWaalsContact ND2-CE3 3.33Å; N1316-W1356 WeakPolarHBondContact ND2-CH2 3.46Å; N1316-W1356 WeakPolarHBondContact ND2-CZ2 3.42Å; N1316-W1356 VanDerWaalsContact ND2-CZ3 3.25Å; N1316-W1356 WeakPolarHBondContact ND2-CZ3 3.19Å; N1316-W1356 WeakPolarHBondContact OD1-CZ3 3.46Å |
| 1317 | N | 30.8 | Very low | 49.1 | Very low | 131 Ų | 131 | 95.1 Ų | 95.1 | 70% | 0.701 | 55% | 0.553 | S | S | * | * | trans | -132.1 | 113.9 | 178.4 | -75.3 | -56.3 | 0 | 0 | 0 | 112.4 | S1315 | S1315-N1317 PolarHBondContact O-N 3.1Š| ||
| 1318 | S | 29 | Very low | 46.2 | Very low | 96 Ų | 96 | 98 Ų | 98 | 67% | 0.671 | 59% | 0.588 | S | S | * | * | trans | 44.5 | 100.8 | 158.3 | 56.8 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1319 | C | 24.8 | Very low | 43.3 | Very low | 79 Ų | 79 | 99 Ų | 99 | 53% | 0.534 | 61% | 0.605 | S | S | . | * | -40.4 | 86.2 | 78.9 | -47.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1320 | V | 28.3 | Very low | 40.4 | Very low | 108 Ų | 108 | 105.4 Ų | 105.4 | 66% | 0.655 | 64% | 0.638 | S | S | * | * | trans | -159.4 | 128.1 | 152.9 | 176.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1321 | N | 24.8 | Very low | 37.6 | Very low | 148 Ų | 148 | 108.9 Ų | 108.9 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | trans | -76.5 | 133.9 | 171.7 | -70.9 | -35.1 | 0 | 0 | 0 | 111.5 | ||||
| 1322 | N | 26.6 | Very low | 34.7 | Very low | 161 Ų | 161 | 111.6 Ų | 111.6 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | trans | -135.3 | 102.5 | 158.9 | -90 | -45.5 | 0 | 0 | 0 | 109 | ||||
| 1323 | S | 28 | Very low | 32 | Very low | 103 Ų | 103 | 110.3 Ų | 110.3 | 72% | 0.72 | 69% | 0.691 | S | S | * | * | trans | -69.8 | 157.5 | 172 | 51.4 | 0 | 0 | 0 | 0 | 112.1 | V1325 | S1323-V1325 PolarHBondContact O-N 3.25Š| ||
| 1324 | D | 24 | Very low | 29.7 | Very low | 158 Ų | 158 | 104.5 Ų | 104.5 | 85% | 0.845 | 67% | 0.671 | S | S | * | * | trans | 16.2 | 96.1 | 154 | -61.3 | -44 | 0 | 0 | 0 | 118 | ||||
| 1325 | V | 26.1 | Very low | 27.7 | Very low | 132 Ų | 132 | 104.7 Ų | 104.7 | 80% | 0.8 | 68% | 0.675 | S | S | * | * | trans | -166.2 | 126.6 | 137.3 | 130.2 | 0 | 0 | 0 | 0 | 113.8 | S1323 | S1323-V1325 PolarHBondContact O-N 3.25Š| ||
| 1326 | L | 25.8 | Very low | 26.8 | Very low | 135 Ų | 135 | 105.8 Ų | 105.8 | 71% | 0.707 | 68% | 0.678 | S | S | * | * | trans | 12.9 | 110.9 | 143.3 | -48.7 | 169.5 | 0 | 0 | 0 | 119.9 | ||||
| 1327 | G | 23.5 | Very low | 26.5 | Very low | 81 Ų | 81 | 104.8 Ų | 104.8 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | 67.1 | 111.5 | 123.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1328 | G | 25.9 | Very low | 26.5 | Very low | 87 Ų | 87 | 102.8 Ų | 102.8 | 90% | 0.897 | 68% | 0.676 | S | S | * | * | trans | 92 | 154.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1329 | G | 26.4 | Very low | 26.7 | Very low | 67 Ų | 67 | 100.2 Ų | 100.2 | 69% | 0.691 | 66% | 0.661 | S | S | * | * | cis | 131.6 | 147.6 | 6.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1330 | L | 28 | Very low | 27 | Very low | 165 Ų | 165 | 102.3 Ų | 102.3 | 86% | 0.864 | 67% | 0.667 | S | S | * | * | trans | 68.3 | 105.4 | 178.7 | -58.6 | 167.6 | 0 | 0 | 0 | 113 | ||||
| 1331 | S | 26.8 | Very low | 27.2 | Very low | 96 Ų | 96 | 101.7 Ų | 101.7 | 67% | 0.671 | 66% | 0.657 | S | S | * | * | 62.4 | 133.7 | 87 | 77.6 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1332 | S | 26.2 | Very low | 27.5 | Very low | 92 Ų | 92 | 103.6 Ų | 103.6 | 64% | 0.643 | 66% | 0.658 | S | S | * | * | cis | 164.4 | 125.5 | 3.4 | 44 | 0 | 0 | 0 | 0 | 104.5 | ||||
| 1333 | S | 24.3 | Very low | 27.7 | Very low | 85 Ų | 85 | 104.6 Ų | 104.6 | 59% | 0.594 | 66% | 0.657 | S | S | * | * | trans | 58.5 | 169.2 | 160 | 68.8 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1334 | T | 25.4 | Very low | 27.6 | Very low | 24 Ų | 24 | 105 Ų | 105 | 15% | 0.147 | 66% | 0.66 | C | S | . | * | cis | -164.1 | 164.7 | 14.6 | -22.3 | 0 | 0 | 0 | 0 | 113.7 | N1138 | N1138-T1334 PolarHBondContact N-OG1 2.94Å; N1138-T1334 PolarHBondContact ND2-O 2.85Å; N1138-T1334 WeakPolarHBondContact OD1-CB 3.37Å; N1138-T1334 PolarHBondContact OD1-N 3.2Å; N1138-T1334 PolarHBondContact OD1-OG1 3.34Å | ||
| 1335 | T | 25.7 | Very low | 27.6 | Very low | 51 Ų | 51 | 103.2 Ų | 103.2 | 31% | 0.313 | 66% | 0.659 | S | S | . | * | trans | 66.7 | 156.5 | 155 | 28.7 | 0 | 0 | 0 | 0 | 117.8 | N1136 N1138 | N1136-T1335 WeakPolarHBondContact OD1-CG2 3.4Å; N1138-T1335 PolarHBondContact ND2-OG1 3.25Å; N1138-T1335 VanDerWaalsContact ND2-OG1 3.09Å | ||
| 1336 | T | 27.9 | Very low | 27.6 | Very low | 121 Ų | 121 | 102.9 Ų | 102.9 | 74% | 0.742 | 66% | 0.657 | S | S | * | * | cis | -154.3 | 133.2 | 11.1 | 1.6 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1337 | A | 28 | Very low | 27.6 | Very low | 81 Ų | 81 | 103.9 Ų | 103.9 | 67% | 0.669 | 66% | 0.659 | S | S | * | * | 82.4 | 144.9 | 90.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1338 | T | 30.5 | Very low | 27.9 | Very low | 89 Ų | 89 | 108.4 Ų | 108.4 | 55% | 0.546 | 66% | 0.662 | S | S | . | * | cis | -166.8 | 159.4 | 1.6 | 10.2 | 0 | 0 | 0 | 0 | 115.8 | K1712 | T1338-K1712 WeakPolarHBondContact O-CD 3.42Å; T1338-K1712 WeakPolarHBondContact O-CE 3.33Å; T1338-K1712 WeakPolarHBondContact O-CG 3.5Å | ||
| 1339 | A | 33.1 | Very low | 28 | Very low | 42 Ų | 42 | 108.9 Ų | 108.9 | 35% | 0.347 | 64% | 0.644 | S | S | . | * | trans | 77.3 | 116.8 | 133.7 | 0 | 0 | 0 | 0 | 0 | 126 | K1712 | A1339-K1712 HydrophobicContact CB-CD 4.27Å; A1339-K1712 WeakPolarHBondContact O-CD 3.23Å; A1339-K1712 VanDerWaalsContact O-CE 3.25Å; A1339-K1712 WeakPolarHBondContact O-CE 3.46Å; A1339-K1712 PolarHBondContact O-NZ 2.93Å | ||
| 1340 | N | 33 | Very low | 28.2 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 66% | 0.658 | 64% | 0.643 | S | S | * | * | 64.3 | 162.5 | 116.3 | -52 | 4.6 | 0 | 0 | 0 | 121.1 | |||||
| 1341 | E | 30.9 | Very low | 28.5 | Very low | 95 Ų | 95 | 109.7 Ų | 109.7 | 44% | 0.444 | 63% | 0.629 | S | S | . | * | cis | -148 | 146.8 | 18.6 | -57.6 | 164.1 | 179.1 | 0 | 0 | 114.1 | T399 | T399-E1341 VanDerWaalsContact CB-OE1 3.26Å; T399-E1341 WeakPolarHBondContact CB-OE1 3.46Å; T399-E1341 WeakPolarHBondContact CG2-OE1 3.41Å; T399-E1341 PolarHBondContact OG1-OE1 3.29Å | ||
| 1342 | K | 32.1 | Very low | 29.2 | Very low | 187 Ų | 187 | 111.7 Ų | 111.7 | 81% | 0.813 | 63% | 0.632 | S | S | * | * | 165.3 | 160.1 | 114 | -89.8 | -179.1 | -178.3 | -178.3 | 0 | 114.7 | |||||
| 1343 | H | 29.6 | Very low | 30.5 | Very low | 182 Ų | 182 | 112.9 Ų | 112.9 | 84% | 0.843 | 63% | 0.632 | S | S | * | * | trans | -86 | 158.8 | -171.8 | -50.7 | -100.3 | 0 | 0 | 0 | 112.3 | ||||
| 1344 | S | 26.4 | Very low | 32.1 | Very low | 112 Ų | 112 | 110 Ų | 110 | 78% | 0.783 | 61% | 0.612 | S | S | * | * | -138.2 | 166.2 | 68.8 | 55.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 1345 | S | 23.7 | Very low | 33.8 | Very low | 120 Ų | 120 | 114.2 Ų | 114.2 | 84% | 0.839 | 63% | 0.63 | S | S | * | * | trans | -73.8 | 122.7 | -172.4 | 52.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1346 | V | 27.2 | Very low | 36 | Very low | 125 Ų | 125 | 116.5 Ų | 116.5 | 76% | 0.758 | 63% | 0.633 | S | S | * | * | trans | -116.8 | 160.5 | 157 | 179.8 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1347 | Q | 24.9 | Very low | 38.5 | Very low | 157 Ų | 157 | 111.4 Ų | 111.4 | 73% | 0.734 | 60% | 0.601 | S | S | * | * | trans | -56.3 | 140.1 | 174.3 | -70.2 | 155 | -95.9 | 0 | 0 | 110.8 | D1349 | Q1347-D1349 PolarHBondContact O-N 3.17Š| ||
| 1348 | I | 29.4 | Very low | 41.3 | Very low | 176 Ų | 176 | 107.6 Ų | 107.6 | 90% | 0.903 | 57% | 0.569 | S | S | * | * | trans | -77.2 | 81.6 | 165.4 | -56.2 | 178.8 | 0 | 0 | 0 | 106.7 | ||||
| 1349 | D | 27.6 | Very low | 44.1 | Very low | 96 Ų | 96 | 103.4 Ų | 103.4 | 51% | 0.513 | 54% | 0.543 | S | S | . | . | trans | -66.3 | 155.9 | 175.9 | -92.7 | -37.7 | 0 | 0 | 0 | 111.8 | Q1347 T1351 | Q1347-D1349 PolarHBondContact O-N 3.17Å; D1349-T1351 HydrophobicContact CB-CG2 3.92Å; D1349-T1351 WeakPolarHBondContact CB-OG1 3.45Å; D1349-T1351 PolarHBondContact O-N 3.36Å | ||
| 1350 | K | 31.2 | Very low | 47 | Very low | 156 Ų | 156 | 102.5 Ų | 102.5 | 68% | 0.678 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | 45.2 | -176.4 | -58.1 | 168 | -174.6 | 162.9 | 0 | 111.4 | G1079 | G1079-K1350 PolarHBondContact O-NZ 3.18Š|
| 1351 | T | 33.9 | Very low | 49.8 | Very low | 94 Ų | 94 | 96.7 Ų | 96.7 | 58% | 0.577 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -119.5 | -17.7 | -156.9 | 42.6 | 0 | 0 | 0 | 0 | 116.6 | D1349 D1353 | D1349-T1351 HydrophobicContact CB-CG2 3.92Å; D1349-T1351 WeakPolarHBondContact CB-OG1 3.45Å; D1349-T1351 PolarHBondContact O-N 3.36Å; T1351-D1353 VanDerWaalsContact C-N 3.28Å; T1351-D1353 PolarHBondContact O-N 2.92Å |
| 1352 | N | 43 | Very low | 52.6 | Low | 137 Ų | 137 | 99.4 Ų | 99.4 | 73% | 0.733 | 51% | 0.507 | S | S | * | . | trans | -85.5 | 12.8 | -178.7 | -82.6 | 13.6 | 0 | 0 | 0 | 115.1 | S1354 | N1352-S1354 PolarHBondContact O-N 2.94Š| ||
| 1353 | D | 52.5 | Low | 55.3 | Low | 118 Ų | 118 | 93.6 Ų | 93.6 | 63% | 0.631 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | 8.1 | -180 | -133.2 | 47.9 | 0 | 0 | 0 | 113.4 | R1313 T1351 | R1313-D1353 IonicContact CZ-OD2 2.65Å; R1313-D1353 IonicContact NH1-OD2 2.71Å; R1313-D1353 PolarHBondContact NH2-O 2.98Å; R1313-D1353 IonicContact NH2-OD1 2.86Å; R1313-D1353 IonicContact NH2-OD2 3.85Å; R1313-D1353 PolarHBondContact NH2-OD2 2.81Å; T1351-D1353 VanDerWaalsContact C-N 3.28Å; T1351-D1353 PolarHBondContact O-N 2.92Å |
| 1354 | S | 59 | Low | 58.1 | Low | 25 Ų | 25 | 86.4 Ų | 86.4 | 18% | 0.175 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.8 | -24 | -171.8 | 68 | 0 | 0 | 0 | 0 | 115.1 | N1352 W1356 N1357 G1392 | N1352-S1354 PolarHBondContact O-N 2.94Å; S1354-W1356 PolarHBondContact O-N 3.3Å; S1354-N1357 VanDerWaalsContact O-CB 3.27Å; S1354-N1357 WeakPolarHBondContact O-CB 3.39Å; S1354-N1357 VanDerWaalsContact O-CG 3.3Å; S1354-N1357 PolarHBondContact O-N 2.8Å; S1354-N1357 PolarHBondContact O-ND2 3.11Å; S1354-G1392 CarbonylContact C-O 3.53Å; S1354-G1392 WeakPolarHBondContact CB-O 3.43Å; S1354-G1392 CarbonylContact O-C 3.51Å; S1354-G1392 VanDerWaalsContact O-C 3.23Å; S1354-G1392 VanDerWaalsContact O-CA 3.24Å; S1354-G1392 WeakPolarHBondContact O-CA 3.32Å; S1354-G1392 PolarHBondContact OG-O 3.1Å |
| 1355 | Q | 61.2 | Low | 61.1 | Low | 112 Ų | 112 | 84.7 Ų | 84.7 | 52% | 0.523 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -31.4 | -164.6 | -176.6 | 172.4 | -11.2 | 0 | 0 | 114.2 | G1392 | Q1355-G1392 VanDerWaalsContact O-CA 3.23Å; Q1355-G1392 WeakPolarHBondContact O-CA 3.21Å |
| 1356 | W | 71 | Confident | 64 | Low | 99 Ų | 99 | 83.5 Ų | 83.5 | 38% | 0.375 | 42% | 0.421 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 5.2 | -177.8 | -55 | 112.1 | 0 | 0 | 0 | 114.6 | R1313 L1314 N1316 S1354 | R1313-W1356 CarbonylContact C-O 3.52Å; R1313-W1356 WeakPolarHBondContact CA-O 3.42Å; L1314-W1356 PolarHBondContact N-O 3.32Å; N1316-W1356 VanDerWaalsContact ND2-CE2 3.29Å; N1316-W1356 VanDerWaalsContact ND2-CE3 3.33Å; N1316-W1356 WeakPolarHBondContact ND2-CH2 3.46Å; N1316-W1356 WeakPolarHBondContact ND2-CZ2 3.42Å; N1316-W1356 VanDerWaalsContact ND2-CZ3 3.25Å; N1316-W1356 WeakPolarHBondContact ND2-CZ3 3.19Å; N1316-W1356 WeakPolarHBondContact OD1-CZ3 3.46Å; S1354-W1356 PolarHBondContact O-N 3.3Å |
| 1357 | N | 80.5 | Confident | 66.7 | Low | 13 Ų | 13 | 79.7 Ų | 79.7 | 7% | 0.07 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 127.7 | -177.9 | -67.9 | -18.8 | 0 | 0 | 0 | 111.7 | V1311 R1313 S1354 G1392 L1393 | V1311-N1357 HydrophobicContact CG1-CB 3.78Å; R1313-N1357 WeakPolarHBondContact CG-OD1 3.25Å; S1354-N1357 VanDerWaalsContact O-CB 3.27Å; S1354-N1357 WeakPolarHBondContact O-CB 3.39Å; S1354-N1357 VanDerWaalsContact O-CG 3.3Å; S1354-N1357 PolarHBondContact O-N 2.8Å; S1354-N1357 PolarHBondContact O-ND2 3.11Å; N1357-G1392 PolarHBondContact O-N 2.75Å; N1357-L1393 WeakPolarHBondContact CB-O 3.2Å; N1357-L1393 PolarHBondContact ND2-O 2.91Å |
| 1358 | A | 86.2 | Confident | 69.6 | Low | 1 Ų | 1 | 72.9 Ų | 72.9 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 142.7 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | V1311 R1312 L1314 F1360 | V1311-A1358 WeakPolarHBondContact CA-O 3.4Å; R1312-A1358 PolarHBondContact N-O 2.85Å; R1312-A1358 PolarHBondContact O-N 2.98Å; L1314-A1358 HydrophobicContact CD1-CB 4.05Å; L1314-A1358 HydrophobicContact CD2-CB 3.82Å; L1314-A1358 HydrophobicContact CG-CB 3.81Å; A1358-F1360 HydrophobicContact CB-CD2 4.43Å; A1358-F1360 HydrophobicContact CB-CE2 3.61Å; A1358-F1360 HydrophobicContact CB-CZ 4.07Å |
| 1359 | V | 89.9 | Confident | 72.3 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.006 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.9 | -177 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | V1309 V1311 R1381 L1382 L1390 A1398 | V1309-V1359 HydrophobicContact CB-CG1 3.74Å; V1309-V1359 HydrophobicContact CG1-CG1 3.93Å; V1309-V1359 HydrophobicContact CG2-CG1 4.05Å; V1311-V1359 HydrophobicContact CG2-CG2 4.24Å; V1359-R1381 CarbonylContact O-C 3.6Å; V1359-R1381 WeakPolarHBondContact O-CA 3.32Å; V1359-L1382 HydrophobicContact CB-CB 4.24Å; V1359-L1382 HydrophobicContact CG1-CB 4.26Å; V1359-L1382 HydrophobicContact CG1-CD1 4.11Å; V1359-L1382 HydrophobicContact CG1-CG 4.4Å; V1359-L1382 PolarHBondContact O-N 2.92Å; V1359-L1390 HydrophobicContact CG2-CB 4.08Å; V1359-A1398 HydrophobicContact CG2-CB 3.92Å |
| 1360 | F | 93 | Very high | 75.3 | Confident | 23 Ų | 23 | 60.4 Ų | 60.4 | 10% | 0.101 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 137.5 | 179.2 | -61.1 | -97.5 | 0 | 0 | 0 | 111.1 | W1259 V1309 S1310 R1312 L1314 A1358 R1362 D1380 R1381 | W1259-F1360 AromaticContact CH2-CE1 3.91Å; W1259-F1360 HydrophobicContact CH2-CE1 3.91Å; V1309-F1360 CarbonylContact C-O 3.47Å; V1309-F1360 VanDerWaalsContact CA-O 3.32Å; V1309-F1360 WeakPolarHBondContact CA-O 3.3Å; S1310-F1360 PolarHBondContact N-O 3.16Å; S1310-F1360 PolarHBondContact O-N 3.06Å; R1312-F1360 HydrophobicContact CB-CD2 4.13Å; R1312-F1360 HydrophobicContact CB-CE2 3.97Å; R1312-F1360 HydrophobicContact CG-CD2 3.91Å; R1312-F1360 HydrophobicContact CG-CE2 4.2Å; L1314-F1360 HydrophobicContact CD2-CZ 4.36Å; A1358-F1360 HydrophobicContact CB-CD2 4.43Å; A1358-F1360 HydrophobicContact CB-CE2 3.61Å; A1358-F1360 HydrophobicContact CB-CZ 4.07Å; F1360-R1362 PolarHBondContact O-N 3.21Å; F1360-D1380 CarbonylContact C-O 3.3Å; F1360-D1380 VanDerWaalsContact CA-O 3.32Å; F1360-D1380 WeakPolarHBondContact CA-O 3.45Å; F1360-R1381 HydrophobicContact CD1-CB 3.69Å; F1360-R1381 HydrophobicContact CD1-CG 4.01Å; F1360-R1381 HydrophobicContact CE1-CB 3.63Å; F1360-R1381 HydrophobicContact CE1-CG 3.71Å; F1360-R1381 HydrophobicContact CZ-CB 4.41Å; F1360-R1381 HydrophobicContact CZ-CG 3.99Å |
| 1361 | V | 92.5 | Very high | 78 | Confident | 2 Ų | 2 | 59.1 Ų | 59.1 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 120.1 | 172.6 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | V1364 L1376 Q1377 G1379 D1380 L1382 | V1361-V1364 HydrophobicContact CG1-CG2 4.18Å; V1361-L1376 HydrophobicContact CG2-CD1 4.12Å; V1361-L1376 HydrophobicContact CG2-CD2 3.96Å; V1361-L1376 HydrophobicContact CG2-CG 4.04Å; V1361-Q1377 WeakPolarHBondContact CB-O 3.35Å; V1361-G1379 PolarHBondContact O-N 3.33Å; V1361-D1380 HydrophobicContact CB-CB 4.42Å; V1361-D1380 HydrophobicContact CG2-CB 4.05Å; V1361-D1380 PolarHBondContact N-O 2.82Å; V1361-L1382 HydrophobicContact CG2-CD1 4.47Å; V1361-L1382 HydrophobicContact CG2-CD2 3.79Å; V1361-L1382 HydrophobicContact CG2-CG 4.11Å |
| 1362 | R | 90.2 | Very high | 80.3 | Confident | 151 Ų | 151 | 61 Ų | 61 | 57% | 0.57 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -97.3 | -41.8 | 179.3 | -177.5 | -177.1 | 173.3 | -169 | -5.3 | 111.9 | S1308 F1360 V1378 | S1308-R1362 PolarHBondContact O-N 3.47Å; F1360-R1362 PolarHBondContact O-N 3.21Å; R1362-V1378 VanDerWaalsContact O-CG1 3.28Å; R1362-V1378 WeakPolarHBondContact O-CG1 3.38Å |
| 1363 | T | 88.2 | Confident | 82.5 | Confident | 65 Ų | 65 | 56.3 Ų | 56.3 | 40% | 0.399 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 150.3 | 168.4 | 65.3 | 0 | 0 | 0 | 0 | 108.9 | S1308 | S1308-T1363 WeakPolarHBondContact CB-OG1 3.2Å; S1308-T1363 PolarHBondContact N-O 2.83Å; S1308-T1363 PolarHBondContact O-N 3.18Å |
| 1364 | V | 89.5 | Confident | 84.1 | Confident | 31 Ų | 31 | 53 Ų | 53 | 19% | 0.188 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 146.7 | 157.6 | -172.7 | 0 | 0 | 0 | 0 | 106.5 | V1361 A1370 | V1361-V1364 HydrophobicContact CG1-CG2 4.18Å; V1364-A1370 HydrophobicContact CG1-CB 4.07Å |
| 1365 | I | 87.9 | Confident | 85.6 | Confident | 77 Ų | 77 | 54.1 Ų | 54.1 | 40% | 0.395 | 28% | 0.279 | S | S | . | . | trans | -100.7 | 115.6 | -174.9 | -57.6 | 175.2 | 0 | 0 | 0 | 108.5 | G1306 G1367 G1368 Y1371 | G1306-I1365 PolarHBondContact O-N 2.75Å; I1365-G1367 PolarHBondContact O-N 2.78Å; I1365-G1368 PolarHBondContact O-N 3.37Å; I1365-Y1371 VanDerWaalsContact O-CB 3.28Å; I1365-Y1371 WeakPolarHBondContact O-CB 3.47Å | ||
| 1366 | D | 86.3 | Confident | 87 | Confident | 94 Ų | 94 | 49 Ų | 49 | 50% | 0.503 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -46.2 | 127.5 | 178.9 | -57.2 | -13.2 | 0 | 0 | 0 | 111.6 | K882 G1368 Y1371 | K882-D1366 IonicContact NZ-OD2 2.72Å; K882-D1366 PolarHBondContact NZ-OD2 3.18Å; D1366-G1368 PolarHBondContact O-N 3.34Å; D1366-Y1371 HydrophobicContact CB-CD2 4.42Å; D1366-Y1371 HydrophobicContact CB-CE2 4.29Å |
| 1367 | G | 83.6 | Confident | 87.9 | Confident | 46 Ų | 46 | 48.7 Ų | 48.7 | 47% | 0.474 | 26% | 0.258 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | -8.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | I1365 Y1371 Q1372 | I1365-G1367 PolarHBondContact O-N 2.78Å; G1367-Y1371 VanDerWaalsContact N-CD1 3.26Å; G1367-Q1372 PolarHBondContact O-NE2 2.87Å |
| 1368 | G | 84.9 | Confident | 88.3 | Confident | 13 Ų | 13 | 52 Ų | 52 | 13% | 0.134 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -76.9 | 169.8 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | I1365 D1366 A1370 Y1371 Q1372 | I1365-G1368 PolarHBondContact O-N 3.37Å; D1366-G1368 PolarHBondContact O-N 3.34Å; G1368-A1370 PolarHBondContact O-N 2.87Å; G1368-Y1371 WeakPolarHBondContact O-CA 3.43Å; G1368-Y1371 VanDerWaalsContact O-CB 3.31Å; G1368-Y1371 WeakPolarHBondContact O-CB 3.4Å; G1368-Y1371 PolarHBondContact O-N 2.91Å; G1368-Q1372 WeakPolarHBondContact O-CG 3.5Å; G1368-Q1372 PolarHBondContact O-N 3.03Å |
| 1369 | P | 86.6 | Confident | 88.4 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 7% | 0.071 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -56.6 | -44.5 | -173.5 | -29.3 | 37.6 | 0 | 0 | 0 | 114.8 | I1266 L1268 P1269 T1304 Y1371 Q1372 D1373 | I1266-P1369 HydrophobicContact CG2-CB 4.18Å; L1268-P1369 HydrophobicContact CD2-CB 4.2Å; L1268-P1369 HydrophobicContact CD2-CG 4.11Å; P1269-P1369 HydrophobicContact CG-CG 4.23Å; T1304-P1369 VanDerWaalsContact O-CD 3.25Å; T1304-P1369 WeakPolarHBondContact O-CD 3.37Å; T1304-P1369 WeakPolarHBondContact O-CG 3.35Å; P1369-Y1371 VanDerWaalsContact C-N 3.27Å; P1369-Y1371 PolarHBondContact O-N 2.91Å; P1369-Q1372 PolarHBondContact O-N 3.13Å; P1369-D1373 VanDerWaalsContact O-CB 3.26Å; P1369-D1373 WeakPolarHBondContact O-CB 3.45Å; P1369-D1373 PolarHBondContact O-N 2.95Å |
| 1370 | A | 89.4 | Confident | 88.6 | Confident | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.1 | -20.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1266 L1305 V1307 V1364 G1368 G1374 L1376 | I1266-A1370 HydrophobicContact CD1-CB 3.95Å; L1305-A1370 WeakPolarHBondContact O-CB 3.45Å; L1305-A1370 PolarHBondContact O-N 3.37Å; V1307-A1370 HydrophobicContact CG1-CB 3.51Å; V1364-A1370 HydrophobicContact CG1-CB 4.07Å; G1368-A1370 PolarHBondContact O-N 2.87Å; A1370-G1374 PolarHBondContact O-N 2.71Å; A1370-L1376 HydrophobicContact CB-CB 4.48Å; A1370-L1376 HydrophobicContact CB-CD2 4.06Å |
| 1371 | Y | 88.7 | Confident | 88.6 | Confident | 129 Ų | 129 | 53 Ų | 53 | 51% | 0.506 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -78.1 | -42.8 | 170.9 | -178.8 | -86.2 | 0 | 0 | 0 | 111 | I1365 D1366 G1367 G1368 P1369 D1373 G1374 | I1365-Y1371 VanDerWaalsContact O-CB 3.28Å; I1365-Y1371 WeakPolarHBondContact O-CB 3.47Å; D1366-Y1371 HydrophobicContact CB-CD2 4.42Å; D1366-Y1371 HydrophobicContact CB-CE2 4.29Å; G1367-Y1371 VanDerWaalsContact N-CD1 3.26Å; G1368-Y1371 WeakPolarHBondContact O-CA 3.43Å; G1368-Y1371 VanDerWaalsContact O-CB 3.31Å; G1368-Y1371 WeakPolarHBondContact O-CB 3.4Å; G1368-Y1371 PolarHBondContact O-N 2.91Å; P1369-Y1371 VanDerWaalsContact C-N 3.27Å; P1369-Y1371 PolarHBondContact O-N 2.91Å; Y1371-D1373 VanDerWaalsContact C-N 3.29Å; Y1371-D1373 PolarHBondContact O-N 2.86Å; Y1371-G1374 PolarHBondContact O-N 2.72Å |
| 1372 | Q | 82.7 | Confident | 88.6 | Confident | 132 Ų | 132 | 53 Ų | 53 | 62% | 0.617 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.5 | -36 | 174.5 | -66 | 175.9 | -5 | 0 | 0 | 111.9 | G1367 G1368 P1369 | G1367-Q1372 PolarHBondContact O-NE2 2.87Å; G1368-Q1372 WeakPolarHBondContact O-CG 3.5Å; G1368-Q1372 PolarHBondContact O-N 3.03Å; P1369-Q1372 PolarHBondContact O-N 3.13Å |
| 1373 | D | 88.1 | Confident | 88.6 | Confident | 39 Ų | 39 | 46 Ų | 46 | 21% | 0.209 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -73.8 | -36.9 | 174.5 | -174 | -86.5 | 0 | 0 | 0 | 112.6 | I1266 P1369 Y1371 R1375 | I1266-D1373 HydrophobicContact CG1-CB 4.39Å; I1266-D1373 HydrophobicContact CG2-CB 3.96Å; P1369-D1373 VanDerWaalsContact O-CB 3.26Å; P1369-D1373 WeakPolarHBondContact O-CB 3.45Å; P1369-D1373 PolarHBondContact O-N 2.95Å; Y1371-D1373 VanDerWaalsContact C-N 3.29Å; Y1371-D1373 PolarHBondContact O-N 2.86Å; D1373-R1375 WeakPolarHBondContact O-CG 3.15Å; D1373-R1375 PolarHBondContact O-N 2.88Å; D1373-R1375 VanDerWaalsContact OD1-CB 3.27Å; D1373-R1375 WeakPolarHBondContact OD1-CB 3.34Å; D1373-R1375 VanDerWaalsContact OD1-CG 3.25Å; D1373-R1375 WeakPolarHBondContact OD1-CG 3.25Å; D1373-R1375 IonicContact OD1-CZ 3.19Å; D1373-R1375 PolarHBondContact OD1-N 2.78Å; D1373-R1375 IonicContact OD1-NE 3.62Å; D1373-R1375 PolarHBondContact OD1-NE 2.86Å; D1373-R1375 IonicContact OD1-NH2 3.37Å; D1373-R1375 IonicContact OD2-CZ 3.56Å; D1373-R1375 IonicContact OD2-NE 2.72Å; D1373-R1375 PolarHBondContact OD2-NE 3.41Å; D1373-R1375 IonicContact OD2-NH2 3.56Å; D1373-R1375 PolarHBondContact OD2-NH2 3.49Å |
| 1374 | G | 86.8 | Confident | 88.6 | Confident | 50 Ų | 50 | 43.8 Ų | 43.8 | 52% | 0.515 | 25% | 0.251 | S | S | . | . | trans | 70.6 | -11.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | A1370 Y1371 | A1370-G1374 PolarHBondContact O-N 2.71Å; Y1371-G1374 PolarHBondContact O-N 2.72Å | ||
| 1375 | R | 89.7 | Confident | 88.6 | Confident | 47 Ų | 47 | 42.3 Ų | 42.3 | 18% | 0.177 | 24% | 0.242 | C | C | . | . | trans | -80 | -25.1 | -173.1 | -53.5 | -177 | -76.3 | -169.1 | -7.8 | 114 | F1239 L1264 N1265 D1373 R1424 | F1239-R1375 HydrophobicContact CE1-CB 4.21Å; F1239-R1375 HydrophobicContact CE1-CG 3.72Å; F1239-R1375 HydrophobicContact CE2-CB 4.41Å; F1239-R1375 HydrophobicContact CE2-CG 4.16Å; F1239-R1375 HydrophobicContact CZ-CB 4.02Å; F1239-R1375 HydrophobicContact CZ-CG 3.4Å; F1239-R1375 VanDerWaalsContact CZ-CG 3.4Å; L1264-R1375 HydrophobicContact CD1-CB 4.3Å; L1264-R1375 HydrophobicContact CD2-CB 3.67Å; N1265-R1375 PolarHBondContact O-NH2 2.74Å; D1373-R1375 WeakPolarHBondContact O-CG 3.15Å; D1373-R1375 PolarHBondContact O-N 2.88Å; D1373-R1375 VanDerWaalsContact OD1-CB 3.27Å; D1373-R1375 WeakPolarHBondContact OD1-CB 3.34Å; D1373-R1375 VanDerWaalsContact OD1-CG 3.25Å; D1373-R1375 WeakPolarHBondContact OD1-CG 3.25Å; D1373-R1375 IonicContact OD1-CZ 3.19Å; D1373-R1375 PolarHBondContact OD1-N 2.78Å; D1373-R1375 IonicContact OD1-NE 3.62Å; D1373-R1375 PolarHBondContact OD1-NE 2.86Å; D1373-R1375 IonicContact OD1-NH2 3.37Å; D1373-R1375 IonicContact OD2-CZ 3.56Å; D1373-R1375 IonicContact OD2-NE 2.72Å; D1373-R1375 PolarHBondContact OD2-NE 3.41Å; D1373-R1375 IonicContact OD2-NH2 3.56Å; D1373-R1375 PolarHBondContact OD2-NH2 3.49Å; R1375-R1424 PolarHBondContact O-NH2 3.02Å | ||
| 1376 | L | 91.1 | Very high | 88.6 | Confident | 6 Ų | 6 | 40.6 Ų | 40.6 | 3% | 0.031 | 23% | 0.234 | C | C | . | . | trans | -88.2 | 134.2 | -179 | -170.8 | 73.8 | 0 | 0 | 0 | 110.6 | L1264 I1266 V1307 V1361 A1370 D1380 L1382 L1420 I1422 | L1264-L1376 HydrophobicContact CD1-CB 4.12Å; L1264-L1376 HydrophobicContact CD1-CD1 3.81Å; I1266-L1376 HydrophobicContact CD1-CB 4.14Å; I1266-L1376 HydrophobicContact CD1-CD2 4.24Å; V1307-L1376 HydrophobicContact CG1-CD2 3.52Å; V1361-L1376 HydrophobicContact CG2-CD1 4.12Å; V1361-L1376 HydrophobicContact CG2-CD2 3.96Å; V1361-L1376 HydrophobicContact CG2-CG 4.04Å; A1370-L1376 HydrophobicContact CB-CB 4.48Å; A1370-L1376 HydrophobicContact CB-CD2 4.06Å; L1376-D1380 HydrophobicContact CD1-CB 4.14Å; L1376-L1382 HydrophobicContact CD1-CD2 4.02Å; L1376-L1420 HydrophobicContact CD1-CD1 4.42Å; L1376-L1420 HydrophobicContact CD2-CD1 4.31Å; L1376-I1422 HydrophobicContact CD1-CD1 4.26Å; L1376-I1422 HydrophobicContact CD1-CG2 3.86Å | ||
| 1377 | Q | 89.6 | Confident | 88.4 | Confident | 91 Ų | 91 | 39.3 Ų | 39.3 | 43% | 0.425 | 24% | 0.243 | S | C | . | . | trans | -124.5 | 154.6 | -169.3 | -66.5 | 179.5 | -9.1 | 0 | 0 | 112.2 | V1361 G1379 D1380 R1424 | V1361-Q1377 WeakPolarHBondContact CB-O 3.35Å; Q1377-G1379 PolarHBondContact O-N 2.77Å; Q1377-D1380 PolarHBondContact N-OD2 2.67Å; Q1377-D1380 WeakPolarHBondContact O-CB 3.45Å; Q1377-D1380 PolarHBondContact O-N 3.45Å; Q1377-R1424 VanDerWaalsContact CD-CZ 3.44Å; Q1377-R1424 VanDerWaalsContact CD-NH1 3.29Å; Q1377-R1424 VanDerWaalsContact OE1-NH1 3.14Å | ||
| 1378 | V | 89.7 | Confident | 88.5 | Confident | 83 Ų | 83 | 40.2 Ų | 40.2 | 50% | 0.503 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 131.4 | 172.6 | 176.7 | 0 | 0 | 0 | 0 | 109.4 | R1362 | R1362-V1378 VanDerWaalsContact O-CG1 3.28Å; R1362-V1378 WeakPolarHBondContact O-CG1 3.38Å |
| 1379 | G | 88.8 | Confident | 88.5 | Confident | 31 Ų | 31 | 42 Ų | 42 | 32% | 0.32 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.5 | -16.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | V1361 Q1377 R1381 | V1361-G1379 PolarHBondContact O-N 3.33Å; Q1377-G1379 PolarHBondContact O-N 2.77Å; G1379-R1381 PolarHBondContact O-N 3.46Å |
| 1380 | D | 94 | Very high | 88.4 | Confident | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.005 | 24% | 0.238 | C | C | . | . | trans | -61.1 | 126.9 | 176.4 | -75 | -22 | 0 | 0 | 0 | 111.4 | F1360 V1361 L1376 Q1377 I1422 R1424 | F1360-D1380 CarbonylContact C-O 3.3Å; F1360-D1380 VanDerWaalsContact CA-O 3.32Å; F1360-D1380 WeakPolarHBondContact CA-O 3.45Å; V1361-D1380 HydrophobicContact CB-CB 4.42Å; V1361-D1380 HydrophobicContact CG2-CB 4.05Å; V1361-D1380 PolarHBondContact N-O 2.82Å; L1376-D1380 HydrophobicContact CD1-CB 4.14Å; Q1377-D1380 PolarHBondContact N-OD2 2.67Å; Q1377-D1380 WeakPolarHBondContact O-CB 3.45Å; Q1377-D1380 PolarHBondContact O-N 3.45Å; D1380-I1422 HydrophobicContact CB-CD1 4.12Å; D1380-I1422 VanDerWaalsContact OD2-CD1 3.27Å; D1380-I1422 WeakPolarHBondContact OD2-CD1 3.45Å; D1380-R1424 VanDerWaalsContact OD1-CB 3.31Å; D1380-R1424 WeakPolarHBondContact OD1-CB 3.04Å; D1380-R1424 VanDerWaalsContact OD1-CG 3.28Å; D1380-R1424 WeakPolarHBondContact OD1-CG 3.41Å; D1380-R1424 IonicContact OD1-CZ 2.81Å; D1380-R1424 IonicContact OD1-NE 2.74Å; D1380-R1424 PolarHBondContact OD1-NE 2.89Å; D1380-R1424 IonicContact OD1-NH2 2.85Å; D1380-R1424 PolarHBondContact OD1-NH2 3.11Å; D1380-R1424 IonicContact OD2-CZ 2.65Å; D1380-R1424 IonicContact OD2-NE 3.18Å; D1380-R1424 IonicContact OD2-NH2 2.64Å; D1380-R1424 PolarHBondContact OD2-NH2 3.02Å | ||
| 1381 | R | 92.4 | Very high | 88.1 | Confident | 13 Ų | 13 | 43 Ų | 43 | 5% | 0.049 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 115.9 | 171.9 | -173.6 | -172.5 | 163.2 | -178.4 | -3.9 | 108.9 | E1253 W1259 V1359 F1360 G1379 L1383 I1422 A1423 | E1253-R1381 PolarHBondContact O-NH1 3.22Å; E1253-R1381 IonicContact OE2-CZ 3.56Å; E1253-R1381 IonicContact OE2-NH2 2.67Å; E1253-R1381 PolarHBondContact OE2-NH2 3.42Å; W1259-R1381 HydrophobicContact CZ3-CB 4.1Å; V1359-R1381 CarbonylContact O-C 3.6Å; V1359-R1381 WeakPolarHBondContact O-CA 3.32Å; F1360-R1381 HydrophobicContact CD1-CB 3.69Å; F1360-R1381 HydrophobicContact CD1-CG 4.01Å; F1360-R1381 HydrophobicContact CE1-CB 3.63Å; F1360-R1381 HydrophobicContact CE1-CG 3.71Å; F1360-R1381 HydrophobicContact CZ-CB 4.41Å; F1360-R1381 HydrophobicContact CZ-CG 3.99Å; G1379-R1381 PolarHBondContact O-N 3.46Å; R1381-L1383 HydrophobicContact CB-CD2 4.44Å; R1381-L1383 HydrophobicContact CG-CD2 3.83Å; R1381-I1422 CarbonylContact O-C 3.55Å; R1381-I1422 VanDerWaalsContact O-CA 3.25Å; R1381-I1422 WeakPolarHBondContact O-CA 3.45Å; R1381-A1423 HydrophobicContact CB-CB 4.26Å; R1381-A1423 PolarHBondContact N-O 2.94Å; R1381-A1423 PolarHBondContact O-N 3.02Å |
| 1382 | L | 92.1 | Very high | 87.6 | Confident | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 130.4 | 173.9 | -52.8 | -175.9 | 0 | 0 | 0 | 109.8 | V1309 V1359 V1361 L1376 L1390 L1402 I1422 | V1309-L1382 HydrophobicContact CG1-CD1 3.83Å; V1359-L1382 HydrophobicContact CB-CB 4.24Å; V1359-L1382 HydrophobicContact CG1-CB 4.26Å; V1359-L1382 HydrophobicContact CG1-CD1 4.11Å; V1359-L1382 HydrophobicContact CG1-CG 4.4Å; V1359-L1382 PolarHBondContact O-N 2.92Å; V1361-L1382 HydrophobicContact CG2-CD1 4.47Å; V1361-L1382 HydrophobicContact CG2-CD2 3.79Å; V1361-L1382 HydrophobicContact CG2-CG 4.11Å; L1376-L1382 HydrophobicContact CD1-CD2 4.02Å; L1382-L1390 HydrophobicContact CB-CD1 3.78Å; L1382-L1402 HydrophobicContact CD1-CD2 4.31Å; L1382-I1422 HydrophobicContact CD2-CG2 3.61Å |
| 1383 | L | 89.9 | Confident | 87.5 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | -50 | -172 | -52 | 175.5 | 0 | 0 | 0 | 111.7 | L1251 I1254 L1261 R1381 N1389 L1390 L1421 A1423 | L1251-L1383 HydrophobicContact CD1-CB 4.01Å; I1254-L1383 HydrophobicContact CD1-CD1 3.28Å; I1254-L1383 HydrophobicContact CD1-CD2 3.5Å; I1254-L1383 HydrophobicContact CD1-CG 3.98Å; I1254-L1383 HydrophobicContact CG1-CD2 4.36Å; L1261-L1383 HydrophobicContact CD2-CD1 3.84Å; R1381-L1383 HydrophobicContact CB-CD2 4.44Å; R1381-L1383 HydrophobicContact CG-CD2 3.83Å; L1383-N1389 PolarHBondContact O-OD1 3.16Å; L1383-L1390 PolarHBondContact O-N 2.89Å; L1383-L1421 WeakPolarHBondContact CA-O 3.33Å; L1383-L1421 HydrophobicContact CB-CB 4.32Å; L1383-L1421 HydrophobicContact CB-CD2 3.96Å; L1383-L1421 HydrophobicContact CB-CG 4.28Å; L1383-L1421 VanDerWaalsContact CB-O 3.3Å; L1383-L1421 WeakPolarHBondContact CB-O 3.12Å; L1383-L1421 HydrophobicContact CD1-CD2 3.84Å; L1383-L1421 HydrophobicContact CD1-CG 3.99Å; L1383-L1421 PolarHBondContact N-O 3.06Å; L1383-A1423 HydrophobicContact CD1-CB 4.01Å; L1383-A1423 HydrophobicContact CD2-CB 4.39Å; L1383-A1423 HydrophobicContact CG-CB 4.46Å |
| 1384 | T | 89.9 | Confident | 87.3 | Confident | 19 Ų | 19 | 32.8 Ų | 32.8 | 12% | 0.117 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 148.4 | 170.4 | 72.3 | 0 | 0 | 0 | 0 | 110.3 | L1251 Q1388 L1420 L1421 | L1251-T1384 HydrophobicContact CD1-CG2 3.91Å; T1384-Q1388 CarbonylContact C-O 3.48Å; T1384-Q1388 WeakPolarHBondContact CA-O 3.31Å; T1384-L1420 WeakPolarHBondContact O-CA 3.4Å; T1384-L1421 HydrophobicContact CG2-CB 4.39Å; T1384-L1421 HydrophobicContact CG2-CD2 4.28Å; T1384-L1421 PolarHBondContact N-O 3.33Å; T1384-L1421 PolarHBondContact O-N 2.82Å; T1384-L1421 WeakPolarHBondContact OG1-CB 3.38Å |
| 1385 | I | 89.3 | Confident | 87 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 117.4 | 162.9 | -176.8 | 170.6 | 0 | 0 | 0 | 107.5 | G1387 Q1388 L1390 L1402 V1405 V1418 L1420 | I1385-G1387 PolarHBondContact O-N 3.05Å; I1385-Q1388 PolarHBondContact N-O 3.45Å; I1385-Q1388 WeakPolarHBondContact O-CA 3.07Å; I1385-Q1388 WeakPolarHBondContact O-CB 3.4Å; I1385-Q1388 PolarHBondContact O-N 2.89Å; I1385-L1390 HydrophobicContact CB-CD1 4.34Å; I1385-L1390 HydrophobicContact CG2-CD1 4.12Å; I1385-L1390 HydrophobicContact CG2-CD2 3.91Å; I1385-L1390 HydrophobicContact CG2-CG 4.13Å; I1385-L1402 HydrophobicContact CB-CD2 4.32Å; I1385-L1402 HydrophobicContact CD1-CD2 3.71Å; I1385-L1402 HydrophobicContact CG2-CD2 4.21Å; I1385-V1405 HydrophobicContact CD1-CB 4.06Å; I1385-V1405 HydrophobicContact CD1-CG1 4.07Å; I1385-V1405 HydrophobicContact CG1-CB 4.21Å; I1385-V1405 HydrophobicContact CG1-CG1 3.9Å; I1385-V1405 HydrophobicContact CG2-CG2 4.25Å; I1385-V1418 HydrophobicContact CD1-CG1 3.5Å; I1385-V1418 HydrophobicContact CG1-CG1 3.53Å; I1385-L1420 HydrophobicContact CB-CD2 4.06Å; I1385-L1420 HydrophobicContact CD1-CD2 4.19Å; I1385-L1420 HydrophobicContact CG1-CD2 3.91Å |
| 1386 | D | 87.5 | Confident | 86.7 | Confident | 42 Ų | 42 | 35.8 Ų | 35.8 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.6 | 51.9 | 179.4 | -61.3 | -79.5 | 0 | 0 | 0 | 112.9 | Q1388 V1405 V1418 H1419 | D1386-Q1388 PolarHBondContact O-N 3.08Å; D1386-V1405 HydrophobicContact CB-CG1 3.76Å; D1386-V1405 WeakPolarHBondContact OD2-CG1 3.49Å; D1386-V1418 WeakPolarHBondContact OD2-CG1 3.43Å; D1386-H1419 VanDerWaalsContact CG-N 3.33Å; D1386-H1419 PolarHBondContact N-O 3.29Å; D1386-H1419 VanDerWaalsContact OD1-CB 3.26Å; D1386-H1419 WeakPolarHBondContact OD1-CB 3.35Å; D1386-H1419 IonicContact OD1-CD2 2.74Å; D1386-H1419 PolarHBondContact OD1-CD2 2.94Å; D1386-H1419 IonicContact OD1-CG 2.6Å; D1386-H1419 PolarHBondContact OD1-N 3.27Å; D1386-H1419 PolarHBondContact OD2-N 2.82Å; D1386-H1419 VanDerWaalsContact OD2-N 3.14Å |
| 1387 | G | 81.8 | Confident | 86.3 | Confident | 67 Ų | 67 | 39.3 Ų | 39.3 | 69% | 0.691 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 71.4 | -10.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | I1385 N1389 | I1385-G1387 PolarHBondContact O-N 3.05Å; G1387-N1389 PolarHBondContact O-N 3.41Å |
| 1388 | Q | 84.7 | Confident | 86 | Confident | 64 Ų | 64 | 35 Ų | 35 | 30% | 0.299 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 116 | -178.8 | -51.5 | -158.9 | 41.3 | 0 | 0 | 111.3 | T1384 I1385 D1386 R1401 | T1384-Q1388 CarbonylContact C-O 3.48Å; T1384-Q1388 WeakPolarHBondContact CA-O 3.31Å; I1385-Q1388 PolarHBondContact N-O 3.45Å; I1385-Q1388 WeakPolarHBondContact O-CA 3.07Å; I1385-Q1388 WeakPolarHBondContact O-CB 3.4Å; I1385-Q1388 PolarHBondContact O-N 2.89Å; D1386-Q1388 PolarHBondContact O-N 3.08Å; Q1388-R1401 VanDerWaalsContact OE1-CZ 3.29Å |
| 1389 | N | 85.6 | Confident | 85.8 | Confident | 52 Ų | 52 | 34.4 Ų | 34.4 | 28% | 0.278 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 136.6 | -178.3 | -168.6 | 5.7 | 0 | 0 | 0 | 112.6 | L1383 G1387 S1391 R1401 | L1383-N1389 PolarHBondContact O-OD1 3.16Å; G1387-N1389 PolarHBondContact O-N 3.41Å; N1389-S1391 VanDerWaalsContact CG-OG 3.29Å; N1389-S1391 PolarHBondContact ND2-OG 3.45Å; N1389-S1391 PolarHBondContact OD1-N 2.8Å; N1389-S1391 PolarHBondContact OD1-OG 3.35Å; N1389-R1401 PolarHBondContact O-NH1 2.96Å |
| 1390 | L | 85.4 | Confident | 85.5 | Confident | 1 Ų | 1 | 37.2 Ų | 37.2 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | trans | -103.8 | -16.1 | 177.8 | -65.6 | 173.6 | 0 | 0 | 0 | 113.3 | V1359 L1382 L1383 I1385 L1393 R1401 L1402 | V1359-L1390 HydrophobicContact CG2-CB 4.08Å; L1382-L1390 HydrophobicContact CB-CD1 3.78Å; L1383-L1390 PolarHBondContact O-N 2.89Å; I1385-L1390 HydrophobicContact CB-CD1 4.34Å; I1385-L1390 HydrophobicContact CG2-CD1 4.12Å; I1385-L1390 HydrophobicContact CG2-CD2 3.91Å; I1385-L1390 HydrophobicContact CG2-CG 4.13Å; L1390-L1393 HydrophobicContact CD2-CD1 4.08Å; L1390-R1401 HydrophobicContact CD2-CB 4.42Å; L1390-L1402 HydrophobicContact CD1-CD2 4.03Å; L1390-L1402 HydrophobicContact CD2-CG 4.39Å | ||
| 1391 | S | 81.7 | Confident | 85 | Confident | 29 Ų | 29 | 40.8 Ų | 40.8 | 20% | 0.203 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 134.9 | 172.7 | 69.9 | 0 | 0 | 0 | 0 | 110.7 | N1389 L1393 | N1389-S1391 VanDerWaalsContact CG-OG 3.29Å; N1389-S1391 PolarHBondContact ND2-OG 3.45Å; N1389-S1391 PolarHBondContact OD1-N 2.8Å; N1389-S1391 PolarHBondContact OD1-OG 3.35Å; S1391-L1393 VanDerWaalsContact C-N 3.34Å; S1391-L1393 PolarHBondContact O-N 2.92Å |
| 1392 | G | 78.1 | Confident | 84.7 | Confident | 18 Ų | 18 | 40.9 Ų | 40.9 | 19% | 0.186 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.3 | 5.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S1354 Q1355 N1357 | S1354-G1392 CarbonylContact C-O 3.53Å; S1354-G1392 WeakPolarHBondContact CB-O 3.43Å; S1354-G1392 CarbonylContact O-C 3.51Å; S1354-G1392 VanDerWaalsContact O-C 3.23Å; S1354-G1392 VanDerWaalsContact O-CA 3.24Å; S1354-G1392 WeakPolarHBondContact O-CA 3.32Å; S1354-G1392 PolarHBondContact OG-O 3.1Å; Q1355-G1392 VanDerWaalsContact O-CA 3.23Å; Q1355-G1392 WeakPolarHBondContact O-CA 3.21Å; N1357-G1392 PolarHBondContact O-N 2.75Å |
| 1393 | L | 82.4 | Confident | 84.3 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 18% | 0.183 | 27% | 0.271 | C | S | . | . | trans | -81.6 | 153.9 | 172.2 | -63.3 | -176.9 | 0 | 0 | 0 | 111.4 | N1357 L1390 S1391 D1397 A1398 R1401 | N1357-L1393 WeakPolarHBondContact CB-O 3.2Å; N1357-L1393 PolarHBondContact ND2-O 2.91Å; L1390-L1393 HydrophobicContact CD2-CD1 4.08Å; S1391-L1393 VanDerWaalsContact C-N 3.34Å; S1391-L1393 PolarHBondContact O-N 2.92Å; L1393-D1397 HydrophobicContact CB-CB 4.15Å; L1393-A1398 HydrophobicContact CB-CB 4.1Å; L1393-A1398 HydrophobicContact CD1-CB 4.35Å; L1393-R1401 HydrophobicContact CD1-CB 4.31Å | ||
| 1394 | S | 82.4 | Confident | 83.9 | Confident | 33 Ų | 33 | 50.3 Ų | 50.3 | 23% | 0.231 | 29% | 0.291 | C | S | . | . | trans | -66.5 | 159.1 | 168.3 | 85 | 0 | 0 | 0 | 0 | 110.1 | T1396 D1397 A1398 | S1394-T1396 PolarHBondContact O-N 2.83Å; S1394-T1396 VanDerWaalsContact O-N 3.16Å; S1394-T1396 PolarHBondContact OG-N 3.11Å; S1394-D1397 WeakPolarHBondContact CB-OD2 3.46Å; S1394-D1397 PolarHBondContact N-OD2 3.4Å; S1394-D1397 PolarHBondContact O-N 3.11Å; S1394-D1397 PolarHBondContact OG-N 2.77Å; S1394-D1397 VanDerWaalsContact OG-N 3.11Å; S1394-D1397 PolarHBondContact OG-OD2 2.88Å; S1394-A1398 WeakPolarHBondContact O-CB 3.33Å; S1394-A1398 PolarHBondContact O-N 3.27Å | ||
| 1395 | T | 81 | Confident | 83.3 | Confident | 70 Ų | 70 | 49.6 Ų | 49.6 | 43% | 0.429 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -53.5 | -37.3 | 176.2 | -52.8 | 0 | 0 | 0 | 0 | 112.1 | V1311 L1399 | V1311-T1395 HydrophobicContact CB-CG2 3.99Å; V1311-T1395 HydrophobicContact CG2-CG2 3.89Å; T1395-L1399 HydrophobicContact CG2-CD1 4.3Å; T1395-L1399 WeakPolarHBondContact O-CB 3.27Å; T1395-L1399 WeakPolarHBondContact O-CD1 3.37Å; T1395-L1399 VanDerWaalsContact O-CG 3.29Å; T1395-L1399 WeakPolarHBondContact O-CG 3.45Å; T1395-L1399 PolarHBondContact O-N 2.87Å |
| 1396 | T | 82.8 | Confident | 82.8 | Confident | 90 Ų | 90 | 50 Ų | 50 | 55% | 0.552 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -70.1 | -44.7 | 176.3 | -48.2 | 0 | 0 | 0 | 0 | 111.4 | S1394 L1399 N1400 | S1394-T1396 PolarHBondContact O-N 2.83Å; S1394-T1396 VanDerWaalsContact O-N 3.16Å; S1394-T1396 PolarHBondContact OG-N 3.11Å; T1396-L1399 PolarHBondContact O-N 2.91Å; T1396-N1400 VanDerWaalsContact O-CB 3.29Å; T1396-N1400 WeakPolarHBondContact O-CB 3.47Å; T1396-N1400 PolarHBondContact O-N 3.3Å; T1396-N1400 PolarHBondContact O-ND2 2.86Å |
| 1397 | D | 84.3 | Confident | 82.3 | Confident | 80 Ų | 80 | 50.1 Ų | 50.1 | 43% | 0.428 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.5 | -39.2 | -178.5 | -57.1 | -47 | 0 | 0 | 0 | 111.9 | L1393 S1394 N1400 R1401 | L1393-D1397 HydrophobicContact CB-CB 4.15Å; S1394-D1397 WeakPolarHBondContact CB-OD2 3.46Å; S1394-D1397 PolarHBondContact N-OD2 3.4Å; S1394-D1397 PolarHBondContact O-N 3.11Å; S1394-D1397 PolarHBondContact OG-N 2.77Å; S1394-D1397 VanDerWaalsContact OG-N 3.11Å; S1394-D1397 PolarHBondContact OG-OD2 2.88Å; D1397-N1400 PolarHBondContact O-N 2.81Å; D1397-R1401 WeakPolarHBondContact O-CB 3.49Å; D1397-R1401 PolarHBondContact O-N 3.15Å |
| 1398 | A | 83.1 | Confident | 81.8 | Confident | 1 Ų | 1 | 51.3 Ų | 51.3 | 1% | 0.008 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -46.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1359 L1393 S1394 R1401 L1402 | V1359-A1398 HydrophobicContact CG2-CB 3.92Å; L1393-A1398 HydrophobicContact CB-CB 4.1Å; L1393-A1398 HydrophobicContact CD1-CB 4.35Å; S1394-A1398 WeakPolarHBondContact O-CB 3.33Å; S1394-A1398 PolarHBondContact O-N 3.27Å; A1398-R1401 PolarHBondContact O-N 2.8Å; A1398-L1402 VanDerWaalsContact O-CG 3.3Å; A1398-L1402 WeakPolarHBondContact O-CG 3.41Å; A1398-L1402 PolarHBondContact O-N 3.28Å |
| 1399 | L | 84.4 | Confident | 81.2 | Confident | 71 Ų | 71 | 49.4 Ų | 49.4 | 37% | 0.372 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 176.3 | -72.5 | 171.1 | 0 | 0 | 0 | 112.4 | V1309 T1395 T1396 R1401 K1403 | V1309-L1399 HydrophobicContact CG2-CD2 3.61Å; T1395-L1399 HydrophobicContact CG2-CD1 4.3Å; T1395-L1399 WeakPolarHBondContact O-CB 3.27Å; T1395-L1399 WeakPolarHBondContact O-CD1 3.37Å; T1395-L1399 VanDerWaalsContact O-CG 3.29Å; T1395-L1399 WeakPolarHBondContact O-CG 3.45Å; T1395-L1399 PolarHBondContact O-N 2.87Å; T1396-L1399 PolarHBondContact O-N 2.91Å; L1399-R1401 VanDerWaalsContact C-N 3.35Å; L1399-K1403 WeakPolarHBondContact O-CG 3.36Å; L1399-K1403 PolarHBondContact O-N 3.28Å |
| 1400 | N | 83 | Confident | 80.4 | Confident | 89 Ų | 89 | 49 Ų | 49 | 48% | 0.476 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 174.8 | -74.2 | -12 | 0 | 0 | 0 | 111.5 | T1396 D1397 K1403 S1404 | T1396-N1400 VanDerWaalsContact O-CB 3.29Å; T1396-N1400 WeakPolarHBondContact O-CB 3.47Å; T1396-N1400 PolarHBondContact O-N 3.3Å; T1396-N1400 PolarHBondContact O-ND2 2.86Å; D1397-N1400 PolarHBondContact O-N 2.81Å; N1400-K1403 PolarHBondContact O-N 2.8Å; N1400-S1404 VanDerWaalsContact O-CB 3.31Å; N1400-S1404 WeakPolarHBondContact O-CB 3.48Å; N1400-S1404 PolarHBondContact O-N 2.83Å; N1400-S1404 PolarHBondContact O-OG 2.94Å |
| 1401 | R | 84.3 | Confident | 79.5 | Confident | 77 Ų | 77 | 55.8 Ų | 55.8 | 29% | 0.291 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69 | -42.7 | 179.4 | -160.2 | 169 | -150.1 | 178.5 | 7.2 | 112 | Q1388 N1389 L1390 L1393 D1397 A1398 L1399 S1404 V1405 | Q1388-R1401 VanDerWaalsContact OE1-CZ 3.29Å; N1389-R1401 PolarHBondContact O-NH1 2.96Å; L1390-R1401 HydrophobicContact CD2-CB 4.42Å; L1393-R1401 HydrophobicContact CD1-CB 4.31Å; D1397-R1401 WeakPolarHBondContact O-CB 3.49Å; D1397-R1401 PolarHBondContact O-N 3.15Å; A1398-R1401 PolarHBondContact O-N 2.8Å; L1399-R1401 VanDerWaalsContact C-N 3.35Å; R1401-S1404 WeakPolarHBondContact CA-OG 3.48Å; R1401-S1404 PolarHBondContact O-N 2.94Å; R1401-S1404 PolarHBondContact O-OG 2.62Å; R1401-S1404 VanDerWaalsContact O-OG 3.09Å; R1401-V1405 WeakPolarHBondContact O-CG2 3.41Å; R1401-V1405 PolarHBondContact O-N 3.15Å; R1401-V1405 VanDerWaalsContact O-N 3.09Å |
| 1402 | L | 84.8 | Confident | 78.8 | Confident | 15 Ų | 15 | 60.9 Ų | 60.9 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -55.6 | -49.5 | 169.8 | -72.6 | 168.3 | 0 | 0 | 0 | 110.9 | V1309 L1382 I1385 L1390 A1398 I1406 | V1309-L1402 HydrophobicContact CG2-CD1 4.07Å; L1382-L1402 HydrophobicContact CD1-CD2 4.31Å; I1385-L1402 HydrophobicContact CB-CD2 4.32Å; I1385-L1402 HydrophobicContact CD1-CD2 3.71Å; I1385-L1402 HydrophobicContact CG2-CD2 4.21Å; L1390-L1402 HydrophobicContact CD1-CD2 4.03Å; L1390-L1402 HydrophobicContact CD2-CG 4.39Å; A1398-L1402 VanDerWaalsContact O-CG 3.3Å; A1398-L1402 WeakPolarHBondContact O-CG 3.41Å; A1398-L1402 PolarHBondContact O-N 3.28Å; L1402-I1406 VanDerWaalsContact O-CD1 3.26Å; L1402-I1406 WeakPolarHBondContact O-CD1 2.87Å; L1402-I1406 VanDerWaalsContact O-CG1 3.29Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.44Å; L1402-I1406 PolarHBondContact O-N 3.23Å |
| 1403 | K | 84 | Confident | 78.1 | Confident | 141 Ų | 141 | 61.9 Ų | 61.9 | 61% | 0.613 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.6 | -42 | 177.7 | -73.3 | 178.2 | 177.5 | -171.3 | 0 | 113.4 | L1399 N1400 A1407 | L1399-K1403 WeakPolarHBondContact O-CG 3.36Å; L1399-K1403 PolarHBondContact O-N 3.28Å; N1400-K1403 PolarHBondContact O-N 2.8Å; K1403-A1407 VanDerWaalsContact O-CB 3.25Å; K1403-A1407 WeakPolarHBondContact O-CB 3.39Å; K1403-A1407 PolarHBondContact O-N 3.22Å |
| 1404 | S | 80.9 | Confident | 76.9 | Confident | 63 Ų | 63 | 65 Ų | 65 | 44% | 0.441 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -72.1 | -31.8 | -174.3 | 64.2 | 0 | 0 | 0 | 0 | 113.3 | N1400 R1401 K1408 | N1400-S1404 VanDerWaalsContact O-CB 3.31Å; N1400-S1404 WeakPolarHBondContact O-CB 3.48Å; N1400-S1404 PolarHBondContact O-N 2.83Å; N1400-S1404 PolarHBondContact O-OG 2.94Å; R1401-S1404 WeakPolarHBondContact CA-OG 3.48Å; R1401-S1404 PolarHBondContact O-N 2.94Å; R1401-S1404 PolarHBondContact O-OG 2.62Å; R1401-S1404 VanDerWaalsContact O-OG 3.09Å; S1404-K1408 WeakPolarHBondContact O-CB 3.31Å; S1404-K1408 PolarHBondContact O-N 2.81Å; S1404-K1408 VanDerWaalsContact O-N 3.15Å |
| 1405 | V | 78.7 | Confident | 76.1 | Confident | 3 Ų | 3 | 69.9 Ų | 69.9 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -68.4 | -53.1 | 175.1 | 171.2 | 0 | 0 | 0 | 0 | 109.6 | I1385 D1386 R1401 A1407 K1408 D1409 | I1385-V1405 HydrophobicContact CD1-CB 4.06Å; I1385-V1405 HydrophobicContact CD1-CG1 4.07Å; I1385-V1405 HydrophobicContact CG1-CB 4.21Å; I1385-V1405 HydrophobicContact CG1-CG1 3.9Å; I1385-V1405 HydrophobicContact CG2-CG2 4.25Å; D1386-V1405 HydrophobicContact CB-CG1 3.76Å; D1386-V1405 WeakPolarHBondContact OD2-CG1 3.49Å; R1401-V1405 WeakPolarHBondContact O-CG2 3.41Å; R1401-V1405 PolarHBondContact O-N 3.15Å; R1401-V1405 VanDerWaalsContact O-N 3.09Å; V1405-A1407 VanDerWaalsContact C-N 3.28Å; V1405-A1407 PolarHBondContact O-N 2.91Å; V1405-K1408 WeakPolarHBondContact O-CA 3.39Å; V1405-K1408 VanDerWaalsContact O-CB 3.29Å; V1405-K1408 WeakPolarHBondContact O-CB 3.28Å; V1405-K1408 PolarHBondContact O-N 2.87Å; V1405-D1409 WeakPolarHBondContact CG1-OD2 3.35Å; V1405-D1409 PolarHBondContact O-N 2.93Å; V1405-D1409 VanDerWaalsContact O-OD2 3.05Å |
| 1406 | I | 78.6 | Confident | 75.9 | Confident | 9 Ų | 9 | 66.6 Ų | 66.6 | 5% | 0.046 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -57.8 | -42.5 | 179 | -55.4 | 158.8 | 0 | 0 | 0 | 111.5 | L1268 A1303 L1305 L1402 K1408 D1409 L1410 V1418 | L1268-I1406 HydrophobicContact CD1-CG2 3.63Å; L1268-I1406 HydrophobicContact CD2-CG2 3.91Å; L1268-I1406 HydrophobicContact CG-CG2 4.43Å; A1303-I1406 WeakPolarHBondContact O-CG2 3.3Å; L1305-I1406 HydrophobicContact CB-CD1 3.86Å; L1402-I1406 VanDerWaalsContact O-CD1 3.26Å; L1402-I1406 WeakPolarHBondContact O-CD1 2.87Å; L1402-I1406 VanDerWaalsContact O-CG1 3.29Å; L1402-I1406 WeakPolarHBondContact O-CG1 3.44Å; L1402-I1406 PolarHBondContact O-N 3.23Å; I1406-K1408 PolarHBondContact O-N 3.05Å; I1406-D1409 PolarHBondContact O-N 3.19Å; I1406-L1410 HydrophobicContact CG2-CD1 4.15Å; I1406-L1410 HydrophobicContact CG2-CG 4.44Å; I1406-L1410 WeakPolarHBondContact O-CD1 3.1Å; I1406-L1410 WeakPolarHBondContact O-CG 3.49Å; I1406-L1410 PolarHBondContact O-N 2.92Å; I1406-V1418 HydrophobicContact CG1-CG2 4.19Å |
| 1407 | A | 76.1 | Confident | 75.8 | Confident | 45 Ų | 45 | 63.8 Ų | 63.8 | 37% | 0.372 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.4 | -23 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | K1403 V1405 N1411 | K1403-A1407 VanDerWaalsContact O-CB 3.25Å; K1403-A1407 WeakPolarHBondContact O-CB 3.39Å; K1403-A1407 PolarHBondContact O-N 3.22Å; V1405-A1407 VanDerWaalsContact C-N 3.28Å; V1405-A1407 PolarHBondContact O-N 2.91Å; A1407-N1411 PolarHBondContact O-ND2 2.77Å |
| 1408 | K | 72.9 | Confident | 76 | Confident | 92 Ų | 92 | 60 Ų | 60 | 40% | 0.4 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -82.4 | -45.4 | 175.8 | -175.3 | -178.2 | 178.3 | -61.5 | 0 | 111.1 | S1404 V1405 I1406 L1410 N1411 E1412 | S1404-K1408 WeakPolarHBondContact O-CB 3.31Å; S1404-K1408 PolarHBondContact O-N 2.81Å; S1404-K1408 VanDerWaalsContact O-N 3.15Å; V1405-K1408 WeakPolarHBondContact O-CA 3.39Å; V1405-K1408 VanDerWaalsContact O-CB 3.29Å; V1405-K1408 WeakPolarHBondContact O-CB 3.28Å; V1405-K1408 PolarHBondContact O-N 2.87Å; I1406-K1408 PolarHBondContact O-N 3.05Å; K1408-L1410 VanDerWaalsContact C-N 3.33Å; K1408-L1410 PolarHBondContact O-N 2.89Å; K1408-N1411 PolarHBondContact O-N 2.99Å; K1408-E1412 WeakPolarHBondContact CE-OE1 3.23Å; K1408-E1412 HydrophobicContact CG-CG 4.42Å; K1408-E1412 WeakPolarHBondContact CG-OE1 3.28Å; K1408-E1412 IonicContact NZ-OE1 2.68Å; K1408-E1412 PolarHBondContact NZ-OE1 3.14Å; K1408-E1412 IonicContact NZ-OE2 3.7Å; K1408-E1412 PolarHBondContact NZ-OE2 3.08Å; K1408-E1412 PolarHBondContact O-N 2.8Å |
| 1409 | D | 70.9 | Confident | 76.2 | Confident | 24 Ų | 24 | 63.6 Ų | 63.6 | 13% | 0.128 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -69.5 | -33 | -175.2 | -53.9 | -39.8 | 0 | 0 | 0 | 112 | V1405 I1406 N1411 S1413 P1416 | V1405-D1409 WeakPolarHBondContact CG1-OD2 3.35Å; V1405-D1409 PolarHBondContact O-N 2.93Å; V1405-D1409 VanDerWaalsContact O-OD2 3.05Å; I1406-D1409 PolarHBondContact O-N 3.19Å; D1409-N1411 PolarHBondContact O-N 3.45Å; D1409-S1413 PolarHBondContact O-N 3.13Å; D1409-S1413 VanDerWaalsContact O-N 3.17Å; D1409-S1413 PolarHBondContact O-OG 2.9Å; D1409-P1416 HydrophobicContact CB-CB 4.41Å |
| 1410 | L | 68.4 | Low | 76.5 | Confident | 44 Ų | 44 | 60.2 Ų | 60.2 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.3 | -28.8 | 168.5 | -71.6 | 168 | 0 | 0 | 0 | 113.6 | A1303 I1406 K1408 P1416 | A1303-L1410 HydrophobicContact CB-CD1 3.78Å; A1303-L1410 HydrophobicContact CB-CD2 4.24Å; I1406-L1410 HydrophobicContact CG2-CD1 4.15Å; I1406-L1410 HydrophobicContact CG2-CG 4.44Å; I1406-L1410 WeakPolarHBondContact O-CD1 3.1Å; I1406-L1410 WeakPolarHBondContact O-CG 3.49Å; I1406-L1410 PolarHBondContact O-N 2.92Å; K1408-L1410 VanDerWaalsContact C-N 3.33Å; K1408-L1410 PolarHBondContact O-N 2.89Å; L1410-P1416 HydrophobicContact CD2-CB 4.32Å; L1410-P1416 HydrophobicContact CD2-CG 4.13Å |
| 1411 | N | 67.7 | Low | 76.9 | Confident | 142 Ų | 142 | 56.1 Ų | 56.1 | 76% | 0.759 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -97.8 | -31 | -176.1 | -71.4 | -7.3 | 0 | 0 | 0 | 112.8 | A1407 K1408 D1409 | A1407-N1411 PolarHBondContact O-ND2 2.77Å; K1408-N1411 PolarHBondContact O-N 2.99Å; D1409-N1411 PolarHBondContact O-N 3.45Å |
| 1412 | E | 65.9 | Low | 77.3 | Confident | 136 Ų | 136 | 52.4 Ų | 52.4 | 64% | 0.636 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -98.8 | -14.5 | -173.6 | -74.1 | -177.7 | -146.3 | 0 | 0 | 114.8 | K1408 | K1408-E1412 WeakPolarHBondContact CE-OE1 3.23Å; K1408-E1412 HydrophobicContact CG-CG 4.42Å; K1408-E1412 WeakPolarHBondContact CG-OE1 3.28Å; K1408-E1412 IonicContact NZ-OE1 2.68Å; K1408-E1412 PolarHBondContact NZ-OE1 3.14Å; K1408-E1412 IonicContact NZ-OE2 3.7Å; K1408-E1412 PolarHBondContact NZ-OE2 3.08Å; K1408-E1412 PolarHBondContact O-N 2.8Å |
| 1413 | S | 64.1 | Low | 77.6 | Confident | 40 Ų | 40 | 51.7 Ų | 51.7 | 28% | 0.28 | 28% | 0.276 | S | S | . | . | trans | -130.2 | 140.6 | -172 | 76.2 | 0 | 0 | 0 | 0 | 114.2 | D1409 H1415 P1416 | D1409-S1413 PolarHBondContact O-N 3.13Å; D1409-S1413 VanDerWaalsContact O-N 3.17Å; D1409-S1413 PolarHBondContact O-OG 2.9Å; S1413-H1415 PolarHBondContact O-N 2.97Å; S1413-P1416 WeakPolarHBondContact OG-CA 3.42Å | ||
| 1414 | P | 57.5 | Low | 77.9 | Confident | 101 Ų | 101 | 46.4 Ų | 46.4 | 66% | 0.656 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -77.7 | -4.5 | 178.2 | 32.7 | -36.5 | 0 | 0 | 0 | 113.7 | L1270 | L1270-P1414 VanDerWaalsContact CD1-O 3.31Å; L1270-P1414 WeakPolarHBondContact CD1-O 3.42Å |
| 1415 | H | 65.6 | Low | 78 | Confident | 134 Ų | 134 | 45.6 Ų | 45.6 | 62% | 0.62 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -143.8 | 75.3 | 175.3 | -67.4 | 98.7 | 0 | 0 | 0 | 108.5 | S1413 C1417 | S1413-H1415 PolarHBondContact O-N 2.97Å; H1415-C1417 PolarHBondContact O-N 2.98Å |
| 1416 | P | 76.2 | Confident | 77.7 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 26% | 0.264 | C | S | . | . | trans | -58.9 | 126.4 | -174.9 | 24.3 | -34.3 | 0 | 0 | 0 | 111 | L1268 L1270 D1409 L1410 S1413 | L1268-P1416 HydrophobicContact CB-CB 4.01Å; L1268-P1416 HydrophobicContact CB-CG 4.02Å; L1268-P1416 HydrophobicContact CD1-CB 3.93Å; L1268-P1416 PolarHBondContact N-O 3.43Å; L1270-P1416 VanDerWaalsContact CD2-CD 3.46Å; L1270-P1416 HydrophobicContact CD2-CG 3.79Å; L1270-P1416 HydrophobicContact CG-CG 3.99Å; D1409-P1416 HydrophobicContact CB-CB 4.41Å; L1410-P1416 HydrophobicContact CD2-CB 4.32Å; L1410-P1416 HydrophobicContact CD2-CG 4.13Å; S1413-P1416 WeakPolarHBondContact OG-CA 3.42Å | ||
| 1417 | C | 81.2 | Confident | 76.7 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 22% | 0.216 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 147.2 | 179.9 | 56.2 | 0 | 0 | 0 | 0 | 110 | I1266 H1415 | I1266-C1417 CarbonylContact O-C 3.49Å; I1266-C1417 VanDerWaalsContact O-CA 3.28Å; I1266-C1417 WeakPolarHBondContact O-CA 3.41Å; H1415-C1417 PolarHBondContact O-N 2.98Å |
| 1418 | V | 87 | Confident | 75.1 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 115.1 | -169.7 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | N1265 I1266 L1268 L1305 I1385 D1386 I1406 L1420 | N1265-V1418 CarbonylContact C-O 3.58Å; N1265-V1418 WeakPolarHBondContact CA-O 3.28Å; I1266-V1418 PolarHBondContact N-O 3.43Å; I1266-V1418 PolarHBondContact O-N 2.89Å; L1268-V1418 HydrophobicContact CD1-CG2 3.5Å; L1268-V1418 VanDerWaalsContact CD1-CG2 3.5Å; L1268-V1418 HydrophobicContact CD2-CG2 4.27Å; L1268-V1418 HydrophobicContact CG-CG2 3.93Å; L1305-V1418 HydrophobicContact CD1-CB 4.16Å; L1305-V1418 HydrophobicContact CD1-CG1 4.2Å; L1305-V1418 HydrophobicContact CD1-CG2 4.25Å; I1385-V1418 HydrophobicContact CD1-CG1 3.5Å; I1385-V1418 HydrophobicContact CG1-CG1 3.53Å; D1386-V1418 WeakPolarHBondContact OD2-CG1 3.43Å; I1406-V1418 HydrophobicContact CG1-CG2 4.19Å; V1418-L1420 HydrophobicContact CG1-CD2 3.77Å; V1418-L1420 HydrophobicContact CG1-CG 4.04Å; V1418-L1420 PolarHBondContact O-N 2.74Å |
| 1419 | H | 88.1 | Confident | 73.2 | Confident | 77 Ų | 77 | 58.1 Ų | 58.1 | 36% | 0.356 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 95.1 | 179.9 | -64 | -70.2 | 0 | 0 | 0 | 111.2 | L1264 N1265 D1386 | L1264-H1419 CarbonylContact O-C 3.53Å; L1264-H1419 WeakPolarHBondContact O-CA 3.31Å; N1265-H1419 PolarHBondContact OD1-ND1 3.15Å; D1386-H1419 VanDerWaalsContact CG-N 3.33Å; D1386-H1419 PolarHBondContact N-O 3.29Å; D1386-H1419 VanDerWaalsContact OD1-CB 3.26Å; D1386-H1419 WeakPolarHBondContact OD1-CB 3.35Å; D1386-H1419 IonicContact OD1-CD2 2.74Å; D1386-H1419 PolarHBondContact OD1-CD2 2.94Å; D1386-H1419 IonicContact OD1-CG 2.6Å; D1386-H1419 PolarHBondContact OD1-N 3.27Å; D1386-H1419 PolarHBondContact OD2-N 2.82Å; D1386-H1419 VanDerWaalsContact OD2-N 3.14Å |
| 1420 | L | 91.5 | Very high | 71.4 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 127.4 | 177.4 | -58.2 | 173.1 | 0 | 0 | 0 | 111.2 | L1263 L1264 I1266 L1305 L1376 T1384 I1385 V1418 I1422 | L1263-L1420 CarbonylContact C-O 3.48Å; L1263-L1420 WeakPolarHBondContact CA-O 3.26Å; L1264-L1420 HydrophobicContact CB-CB 4.35Å; L1264-L1420 PolarHBondContact N-O 2.88Å; L1264-L1420 PolarHBondContact O-N 2.92Å; I1266-L1420 HydrophobicContact CD1-CD1 3.59Å; I1266-L1420 HydrophobicContact CG1-CD1 4.09Å; L1305-L1420 HydrophobicContact CD2-CD1 3.86Å; L1305-L1420 HydrophobicContact CD2-CD2 4.16Å; L1376-L1420 HydrophobicContact CD1-CD1 4.42Å; L1376-L1420 HydrophobicContact CD2-CD1 4.31Å; T1384-L1420 WeakPolarHBondContact O-CA 3.4Å; I1385-L1420 HydrophobicContact CB-CD2 4.06Å; I1385-L1420 HydrophobicContact CD1-CD2 4.19Å; I1385-L1420 HydrophobicContact CG1-CD2 3.91Å; V1418-L1420 HydrophobicContact CG1-CD2 3.77Å; V1418-L1420 HydrophobicContact CG1-CG 4.04Å; V1418-L1420 PolarHBondContact O-N 2.74Å; L1420-I1422 HydrophobicContact CB-CG2 4.19Å |
| 1421 | L | 90.9 | Very high | 69.4 | Low | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 126 | 158.3 | -171.8 | 81.2 | 0 | 0 | 0 | 108.2 | L1242 L1251 L1263 L1383 T1384 | L1242-L1421 HydrophobicContact CD1-CD1 3.47Å; L1242-L1421 VanDerWaalsContact CD1-CD1 3.47Å; L1251-L1421 HydrophobicContact CD1-CD2 3.56Å; L1263-L1421 HydrophobicContact CD1-CB 4.44Å; L1263-L1421 HydrophobicContact CD1-CD1 4.14Å; L1383-L1421 WeakPolarHBondContact CA-O 3.33Å; L1383-L1421 HydrophobicContact CB-CB 4.32Å; L1383-L1421 HydrophobicContact CB-CD2 3.96Å; L1383-L1421 HydrophobicContact CB-CG 4.28Å; L1383-L1421 VanDerWaalsContact CB-O 3.3Å; L1383-L1421 WeakPolarHBondContact CB-O 3.12Å; L1383-L1421 HydrophobicContact CD1-CD2 3.84Å; L1383-L1421 HydrophobicContact CD1-CG 3.99Å; L1383-L1421 PolarHBondContact N-O 3.06Å; T1384-L1421 HydrophobicContact CG2-CB 4.39Å; T1384-L1421 HydrophobicContact CG2-CD2 4.28Å; T1384-L1421 PolarHBondContact N-O 3.33Å; T1384-L1421 PolarHBondContact O-N 2.82Å; T1384-L1421 WeakPolarHBondContact OG1-CB 3.38Å |
| 1422 | I | 92.5 | Very high | 67.6 | Low | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 161.4 | 179.5 | 67.3 | 160.4 | 0 | 0 | 0 | 111.9 | L1261 Y1262 L1264 L1376 D1380 R1381 L1382 L1420 | L1261-I1422 CarbonylContact C-O 3.58Å; L1261-I1422 VanDerWaalsContact CA-O 3.28Å; L1261-I1422 WeakPolarHBondContact CA-O 3.41Å; Y1262-I1422 HydrophobicContact CD2-CD1 4.33Å; Y1262-I1422 HydrophobicContact CD2-CG1 4.4Å; Y1262-I1422 PolarHBondContact N-O 3.18Å; Y1262-I1422 PolarHBondContact O-N 3.47Å; L1264-I1422 HydrophobicContact CD1-CD1 3.72Å; L1264-I1422 HydrophobicContact CD1-CG1 4.28Å; L1264-I1422 HydrophobicContact CG-CD1 4.39Å; L1376-I1422 HydrophobicContact CD1-CD1 4.26Å; L1376-I1422 HydrophobicContact CD1-CG2 3.86Å; D1380-I1422 HydrophobicContact CB-CD1 4.12Å; D1380-I1422 VanDerWaalsContact OD2-CD1 3.27Å; D1380-I1422 WeakPolarHBondContact OD2-CD1 3.45Å; R1381-I1422 CarbonylContact O-C 3.55Å; R1381-I1422 VanDerWaalsContact O-CA 3.25Å; R1381-I1422 WeakPolarHBondContact O-CA 3.45Å; L1382-I1422 HydrophobicContact CD2-CG2 3.61Å; L1420-I1422 HydrophobicContact CB-CG2 4.19Å |
| 1423 | A | 91.2 | Very high | 65.9 | Low | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 128.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | I1254 W1259 S1260 L1261 R1381 L1383 | I1254-A1423 HydrophobicContact CD1-CB 4.43Å; I1254-A1423 HydrophobicContact CG2-CB 4.31Å; W1259-A1423 HydrophobicContact CB-CB 4.16Å; W1259-A1423 HydrophobicContact CD2-CB 4.19Å; W1259-A1423 HydrophobicContact CE3-CB 3.65Å; W1259-A1423 HydrophobicContact CG-CB 4.42Å; W1259-A1423 HydrophobicContact CZ3-CB 4.44Å; W1259-A1423 WeakPolarHBondContact CZ3-O 3.44Å; S1260-A1423 WeakPolarHBondContact O-CA 3.5Å; L1261-A1423 HydrophobicContact CD2-CB 3.63Å; R1381-A1423 HydrophobicContact CB-CB 4.26Å; R1381-A1423 PolarHBondContact N-O 2.94Å; R1381-A1423 PolarHBondContact O-N 3.02Å; L1383-A1423 HydrophobicContact CD1-CB 4.01Å; L1383-A1423 HydrophobicContact CD2-CB 4.39Å; L1383-A1423 HydrophobicContact CG-CB 4.46Å |
| 1424 | R | 89.9 | Confident | 64.2 | Low | 30 Ų | 30 | 62.5 Ų | 62.5 | 11% | 0.113 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 142.8 | 172.5 | -169.6 | 170.2 | -66.2 | 167 | 2.8 | 109.6 | W1259 S1260 Y1262 R1375 Q1377 D1380 | W1259-R1424 WeakPolarHBondContact CA-O 3.36Å; W1259-R1424 VanDerWaalsContact CE3-C 3.45Å; S1260-R1424 PolarHBondContact N-O 3.05Å; S1260-R1424 PolarHBondContact O-N 3.5Å; Y1262-R1424 HydrophobicContact CD2-CB 4.11Å; Y1262-R1424 HydrophobicContact CE2-CB 3.8Å; R1375-R1424 PolarHBondContact O-NH2 3.02Å; Q1377-R1424 VanDerWaalsContact CD-CZ 3.44Å; Q1377-R1424 VanDerWaalsContact CD-NH1 3.29Å; Q1377-R1424 VanDerWaalsContact OE1-NH1 3.14Å; D1380-R1424 VanDerWaalsContact OD1-CB 3.31Å; D1380-R1424 WeakPolarHBondContact OD1-CB 3.04Å; D1380-R1424 VanDerWaalsContact OD1-CG 3.28Å; D1380-R1424 WeakPolarHBondContact OD1-CG 3.41Å; D1380-R1424 IonicContact OD1-CZ 2.81Å; D1380-R1424 IonicContact OD1-NE 2.74Å; D1380-R1424 PolarHBondContact OD1-NE 2.89Å; D1380-R1424 IonicContact OD1-NH2 2.85Å; D1380-R1424 PolarHBondContact OD1-NH2 3.11Å; D1380-R1424 IonicContact OD2-CZ 2.65Å; D1380-R1424 IonicContact OD2-NE 3.18Å; D1380-R1424 IonicContact OD2-NH2 2.64Å; D1380-R1424 PolarHBondContact OD2-NH2 3.02Å |
| 1425 | P | 83 | Confident | 62.7 | Low | 46 Ų | 46 | 60.6 Ų | 60.6 | 30% | 0.299 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.8 | 148.7 | 170.6 | -20.8 | 33.5 | 0 | 0 | 0 | 110.8 | W1259 | W1259-P1425 HydrophobicContact CE3-CG 4.26Å; W1259-P1425 HydrophobicContact CH2-CG 4.01Å; W1259-P1425 HydrophobicContact CZ3-CG 3.76Å |
| 1426 | R | 71.9 | Confident | 60.8 | Low | 111 Ų | 111 | 58.2 Ų | 58.2 | 42% | 0.419 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -80 | -27.3 | 178.8 | -76.7 | -166 | 178.2 | 140.8 | 4.4 | 114.7 | S1256 S1257 H1258 W1259 S1260 G1428 | S1256-R1426 PolarHBondContact O-NH1 2.99Å; S1256-R1426 PolarHBondContact O-NH2 3.46Å; S1257-R1426 WeakPolarHBondContact O-CD 3.36Å; S1257-R1426 PolarHBondContact O-NH1 2.73Å; H1258-R1426 PolarHBondContact O-N 2.63Å; W1259-R1426 PolarHBondContact O-NH2 3.02Å; S1260-R1426 WeakPolarHBondContact OG-CG 3.47Å; S1260-R1426 PolarHBondContact OG-NE 3.23Å; R1426-G1428 PolarHBondContact O-N 3.14Å |
| 1427 | D | 58.8 | Low | 58.5 | Low | 117 Ų | 117 | 64.9 Ų | 64.9 | 63% | 0.626 | 39% | 0.387 | S | S | * | . | S | Bend | trans | -85.3 | 106 | -177.2 | -55.2 | -60.8 | 0 | 0 | 0 | 109.6 | T1429 | D1427-T1429 PolarHBondContact O-N 3.47Š|
| 1428 | G | 42.3 | Very low | 55.9 | Low | 85 Ų | 85 | 68.5 Ų | 68.5 | 88% | 0.876 | 41% | 0.412 | S | S | * | . | trans | -72.9 | 21.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | R1426 | R1426-G1428 PolarHBondContact O-N 3.14Š| ||
| 1429 | T | 32.8 | Very low | 53 | Low | 99 Ų | 99 | 76.9 Ų | 76.9 | 61% | 0.607 | 45% | 0.454 | S | S | * | . | trans | -89.8 | 108.5 | -180 | 48 | 0 | 0 | 0 | 0 | 111 | D1427 S1431 | D1427-T1429 PolarHBondContact O-N 3.47Å; T1429-S1431 PolarHBondContact O-N 3.19Å | ||
| 1430 | N | 32.1 | Very low | 50 | Low | 166 Ų | 166 | 78.8 Ų | 78.8 | 89% | 0.888 | 46% | 0.462 | S | S | * | . | trans | -75.1 | 57.6 | 170.9 | -97.6 | -32.2 | 0 | 0 | 0 | 111.9 | ||||
| 1431 | S | 28.1 | Very low | 46.9 | Very low | 66 Ų | 66 | 81.9 Ų | 81.9 | 46% | 0.462 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -146.4 | 134.4 | 174.3 | 52.4 | 0 | 0 | 0 | 0 | 108.4 | T1429 | T1429-S1431 PolarHBondContact O-N 3.19Š|
| 1432 | D | 29.5 | Very low | 43.9 | Very low | 85 Ų | 85 | 89.1 Ų | 89.1 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | trans | 66.2 | 73.5 | 163.9 | -63.8 | 2 | 0 | 0 | 0 | 117.4 | G837 S838 | G837-D1432 WeakPolarHBondContact CA-OD1 3.27Å; G837-D1432 WeakPolarHBondContact CA-OD2 3.31Å; S838-D1432 PolarHBondContact N-OD1 3.04Å | ||
| 1433 | N | 29.3 | Very low | 40.6 | Very low | 115 Ų | 115 | 93.2 Ų | 93.2 | 62% | 0.615 | 54% | 0.539 | S | S | * | . | trans | -128.2 | 53.2 | 163 | -152 | -27.4 | 0 | 0 | 0 | 112.5 | ||||
| 1434 | S | 28.6 | Very low | 37.6 | Very low | 45 Ų | 45 | 98.2 Ų | 98.2 | 32% | 0.315 | 56% | 0.562 | S | S | . | * | trans | -101.6 | 13 | 166 | 92.7 | 0 | 0 | 0 | 0 | 112.8 | G836 G837 A1436 N1437 | G836-S1434 CarbonylContact O-C 3.48Å; G836-S1434 VanDerWaalsContact O-CA 3.25Å; G836-S1434 WeakPolarHBondContact O-CA 3.14Å; G836-S1434 WeakPolarHBondContact O-CB 3.09Å; G836-S1434 PolarHBondContact O-N 3.32Å; G836-S1434 PolarHBondContact O-OG 2.76Å; G837-S1434 PolarHBondContact N-OG 3.09Å; G837-S1434 WeakPolarHBondContact O-CB 3.07Å; G837-S1434 PolarHBondContact O-OG 3.18Å; S1434-A1436 PolarHBondContact O-N 2.95Å; S1434-N1437 VanDerWaalsContact O-CB 3.25Å; S1434-N1437 WeakPolarHBondContact O-CB 3.44Å | ||
| 1435 | C | 26 | Very low | 34.8 | Very low | 62 Ų | 62 | 101.6 Ų | 101.6 | 42% | 0.419 | 58% | 0.583 | S | S | . | * | trans | -84.1 | 40 | 177.6 | -144.2 | 0 | 0 | 0 | 0 | 115.7 | N835 G836 | N835-C1435 HydrophobicContact CB-CB 3.78Å; N835-C1435 VanDerWaalsContact CG-SG 3.53Å; N835-C1435 PolarHBondContact OD1-SG 2.93Å; G836-C1435 VanDerWaalsContact N-CB 3.28Å; G836-C1435 PolarHBondContact N-SG 3.37Å; G836-C1435 PolarHBondContact O-N 3.27Å | ||
| 1436 | A | 27.1 | Very low | 32.1 | Very low | 83 Ų | 83 | 105.4 Ų | 105.4 | 69% | 0.686 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -122.8 | 39.4 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | S1434 | S1434-A1436 PolarHBondContact O-N 2.95Š|
| 1437 | N | 26 | Very low | 29.8 | Very low | 142 Ų | 142 | 106.2 Ų | 106.2 | 76% | 0.759 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -148.1 | 31.2 | -166.8 | -150.1 | 12.2 | 0 | 0 | 0 | 113.6 | S1434 | S1434-N1437 VanDerWaalsContact O-CB 3.25Å; S1434-N1437 WeakPolarHBondContact O-CB 3.44Å |
| 1438 | S | 28.1 | Very low | 28.3 | Very low | 107 Ų | 107 | 107.3 Ų | 107.3 | 75% | 0.748 | 62% | 0.621 | S | S | * | * | trans | -157.4 | 110.4 | 171.5 | -175.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1439 | M | 25.8 | Very low | 27.7 | Very low | 177 Ų | 177 | 110.4 Ų | 110.4 | 87% | 0.872 | 61% | 0.61 | S | S | * | * | trans | 176 | 69 | 135.7 | -97.1 | -171 | 72.1 | 0 | 0 | 112.1 | ||||
| 1440 | E | 24.9 | Very low | 27.4 | Very low | 116 Ų | 116 | 112.3 Ų | 112.3 | 54% | 0.542 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -135.4 | 87.7 | 141.1 | -113.8 | -150.9 | -150.8 | 0 | 0 | 110.4 | N1129 | N1129-E1440 PolarHBondContact ND2-OE1 2.83Š|
| 1441 | N | 26.3 | Very low | 27.1 | Very low | 66 Ų | 66 | 110.9 Ų | 110.9 | 35% | 0.353 | 61% | 0.607 | S | S | . | * | S | Bend | trans | 76.2 | 118.5 | 155.8 | -51.1 | -60 | 0 | 0 | 0 | 117.8 | P931 S932 C933 | P931-N1441 WeakPolarHBondContact CA-OD1 3.28Å; P931-N1441 WeakPolarHBondContact CB-OD1 3.4Å; P931-N1441 WeakPolarHBondContact CD-OD1 3.49Å; P931-N1441 WeakPolarHBondContact CG-OD1 3.25Å; P931-N1441 PolarHBondContact O-OD1 2.81Å; P931-N1441 VanDerWaalsContact O-OD1 3.08Å; S932-N1441 PolarHBondContact O-ND2 3.38Å; S932-N1441 PolarHBondContact O-OD1 3.05Å; C933-N1441 PolarHBondContact N-ND2 3Å |
| 1442 | K | 27.7 | Very low | 27 | Very low | 154 Ų | 154 | 112.8 Ų | 112.8 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | cis | -138.1 | 137.1 | 19.4 | -54.3 | 178.2 | -159.6 | 167 | 0 | 113.2 | K930 | K930-K1442 HydrophobicContact CG-CD 4.25Å; K930-K1442 HydrophobicContact CG-CG 4.49Å | ||
| 1443 | S | 24.6 | Very low | 26.8 | Very low | 85 Ų | 85 | 113.2 Ų | 113.2 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | trans | -79.8 | 146.9 | 140 | 44.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1444 | E | 27.5 | Very low | 26.7 | Very low | 106 Ų | 106 | 113.4 Ų | 113.4 | 50% | 0.495 | 63% | 0.63 | S | S | . | * | trans | -153.5 | 109.2 | 152.4 | -116 | -175.3 | -111.8 | 0 | 0 | 108.3 | E929 | E929-E1444 WeakPolarHBondContact O-CG 3.43Š| ||
| 1445 | N | 29.9 | Very low | 26.6 | Very low | 100 Ų | 100 | 117 Ų | 117 | 54% | 0.535 | 64% | 0.642 | S | S | . | * | trans | 59.7 | 91.1 | 162.5 | -55.4 | -24.3 | 0 | 0 | 0 | 121.9 | S928 | S928-N1445 PolarHBondContact O-ND2 3.45Å; S928-N1445 PolarHBondContact O-OD1 3.35Å; S928-N1445 PolarHBondContact OG-ND2 3.07Å | ||
| 1446 | T | 26.4 | Very low | 26.7 | Very low | 126 Ų | 126 | 123.6 Ų | 123.6 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | trans | -53.3 | 166.4 | 135.7 | -5.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1447 | M | 24.8 | Very low | 26.8 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 63% | 0.631 | 67% | 0.668 | S | S | * | * | trans | 53.8 | 101.9 | 156.4 | -69.9 | -156.8 | -76.3 | 0 | 0 | 119.9 | ||||
| 1448 | N | 25.9 | Very low | 26.9 | Very low | 141 Ų | 141 | 127.6 Ų | 127.6 | 75% | 0.754 | 67% | 0.667 | S | S | * | * | 173.3 | 131.7 | 122.3 | -96.4 | -83 | 0 | 0 | 0 | 106 | |||||
| 1449 | K | 31 | Very low | 26.8 | Very low | 149 Ų | 149 | 126.9 Ų | 126.9 | 65% | 0.648 | 66% | 0.662 | S | S | * | * | cis | -155.1 | 133.7 | 10.8 | -129.2 | 164.8 | -178.9 | 178.1 | 0 | 106.2 | ||||
| 1450 | I | 25.4 | Very low | 26.8 | Very low | 140 Ų | 140 | 125.2 Ų | 125.2 | 72% | 0.718 | 66% | 0.656 | S | S | * | * | 44.7 | 107.6 | 69.3 | -52.7 | 175.7 | 0 | 0 | 0 | 112.4 | |||||
| 1451 | I | 26.9 | Very low | 26.8 | Very low | 136 Ų | 136 | 126.3 Ų | 126.3 | 70% | 0.697 | 66% | 0.661 | S | S | * | * | trans | 160.8 | 97 | 155.5 | -87.5 | 151.6 | 0 | 0 | 0 | 103.5 | ||||
| 1452 | S | 25.9 | Very low | 26.7 | Very low | 105 Ų | 105 | 130.7 Ų | 130.7 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | 68.1 | 126.3 | 102.3 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1453 | S | 25.2 | Very low | 26.6 | Very low | 94 Ų | 94 | 127.4 Ų | 127.4 | 66% | 0.657 | 68% | 0.682 | S | S | * | * | cis | -179.4 | 171.2 | 12.5 | 42.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1454 | N | 26.3 | Very low | 26.6 | Very low | 119 Ų | 119 | 129 Ų | 129 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | trans | 84.5 | 117.3 | 151 | -69.2 | -48.3 | 0 | 0 | 0 | 120.8 | ||||
| 1455 | Q | 27.7 | Very low | 26.5 | Very low | 122 Ų | 122 | 132 Ų | 132 | 57% | 0.57 | 70% | 0.7 | S | S | * | * | 69 | 140.8 | 128.8 | -60.5 | 169.7 | 49.2 | 0 | 0 | 118.4 | |||||
| 1456 | R | 27.3 | Very low | 26.1 | Very low | 199 Ų | 199 | 134 Ų | 134 | 75% | 0.751 | 71% | 0.707 | S | S | * | * | cis | -163.4 | 121.8 | -5.1 | -100.5 | 159.1 | -179.6 | 155.3 | -3 | 105.5 | ||||
| 1457 | K | 29.4 | Very low | 26 | Very low | 206 Ų | 206 | 133.4 Ų | 133.4 | 90% | 0.896 | 71% | 0.707 | S | S | * | * | 35 | 85.4 | 86.6 | -161 | -178.5 | -176.4 | -177.2 | 0 | 116.8 | |||||
| 1458 | S | 27.8 | Very low | 25.9 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | 177.6 | 146.3 | 155.3 | 47.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 1459 | S | 26.6 | Very low | 25.7 | Very low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 71% | 0.713 | S | S | * | * | cis | 175.2 | 142.8 | -15.1 | 47.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1460 | L | 25.4 | Very low | 25.5 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | trans | 63.1 | 170 | 154.7 | -83.2 | 42.3 | 0 | 0 | 0 | 114.9 | ||||
| 1461 | E | 25.2 | Very low | 25.6 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 65% | 0.645 | 71% | 0.713 | S | S | * | * | cis | -147.7 | 157 | -3.1 | -141.7 | 135.6 | -153.6 | 0 | 0 | 112.6 | ||||
| 1462 | M | 23.1 | Very low | 25.7 | Very low | 158 Ų | 158 | 133 Ų | 133 | 78% | 0.778 | 71% | 0.71 | S | S | * | * | trans | 8 | 163.2 | 149.1 | -58.2 | 172.4 | -157.3 | 0 | 0 | 123.6 | ||||
| 1463 | A | 26.5 | Very low | 26.5 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 70% | 0.702 | 70% | 0.703 | S | S | * | * | trans | 76.1 | 152.7 | 143.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1464 | T | 24.1 | Very low | 26.7 | Very low | 120 Ų | 120 | 135.4 Ų | 135.4 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | cis | -169.9 | 152 | -17.9 | 21.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1465 | K | 25.2 | Very low | 26.8 | Very low | 167 Ų | 167 | 133.7 Ų | 133.7 | 73% | 0.726 | 70% | 0.7 | S | S | * | * | trans | 65.7 | 126.8 | 153.7 | -72.9 | -171.1 | 171.6 | -103.8 | 0 | 116.1 | ||||
| 1466 | E | 21.8 | Very low | 26.7 | Very low | 144 Ų | 144 | 135.7 Ų | 135.7 | 67% | 0.673 | 71% | 0.706 | S | S | * | * | 65.8 | 153.3 | 83.2 | -60 | 177 | 130.8 | 0 | 0 | 114.6 | |||||
| 1467 | S | 24.5 | Very low | 26.7 | Very low | 112 Ų | 112 | 133.2 Ų | 133.2 | 78% | 0.783 | 71% | 0.707 | S | S | * | * | trans | 63.9 | 120.2 | -167.6 | 65.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1468 | Y | 22.8 | Very low | 26.5 | Very low | 216 Ų | 216 | 129.3 Ų | 129.3 | 85% | 0.847 | 70% | 0.696 | S | S | * | * | 64.2 | 137.6 | 53.5 | -90.4 | -91.2 | 0 | 0 | 0 | 115.4 | |||||
| 1469 | N | 22.8 | Very low | 26.2 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 66% | 0.663 | 70% | 0.702 | S | S | * | * | trans | 71.1 | 101.8 | 172.7 | -52.8 | -18 | 0 | 0 | 0 | 114.8 | ||||
| 1470 | D | 26.3 | Very low | 26.1 | Very low | 121 Ų | 121 | 131.7 Ų | 131.7 | 65% | 0.647 | 70% | 0.695 | S | S | * | * | 45.6 | 135.7 | 102.4 | -52 | 0.8 | 0 | 0 | 0 | 117.5 | D1473 | D1470-D1473 VanDerWaalsContact CA-OD2 3.3Å; D1470-D1473 WeakPolarHBondContact CA-OD2 3.19Å; D1470-D1473 WeakPolarHBondContact CB-OD2 3.37Å | |||
| 1471 | N | 26 | Very low | 26.1 | Very low | 134 Ų | 134 | 130.2 Ų | 130.2 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | S | Bend | -175 | 116 | 110.7 | -101.8 | -83.5 | 0 | 0 | 0 | 111 | D1473 | N1471-D1473 WeakPolarHBondContact CA-OD2 3.43Å; N1471-D1473 PolarHBondContact N-OD2 2.78Å | |
| 1472 | S | 30.9 | Very low | 26.1 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 63% | 0.629 | 68% | 0.683 | S | S | * | * | S | Bend | trans | 84.2 | 1.2 | 172.8 | 74.5 | 0 | 0 | 0 | 0 | 123 | H1474 | S1472-H1474 PolarHBondContact O-CD2 2.79Š|
| 1473 | D | 41.8 | Very low | 26.2 | Very low | 109 Ų | 109 | 123.4 Ų | 123.4 | 58% | 0.583 | 68% | 0.678 | S | S | * | * | S | Bend | cis | -143.2 | 14.5 | -12.7 | -67.2 | 83.4 | 0 | 0 | 0 | 109.1 | D1470 N1471 | D1470-D1473 VanDerWaalsContact CA-OD2 3.3Å; D1470-D1473 WeakPolarHBondContact CA-OD2 3.19Å; D1470-D1473 WeakPolarHBondContact CB-OD2 3.37Å; N1471-D1473 WeakPolarHBondContact CA-OD2 3.43Å; N1471-D1473 PolarHBondContact N-OD2 2.78Å |
| 1474 | H | 28.8 | Very low | 26.2 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 66% | 0.657 | 68% | 0.676 | S | S | * | * | 45.6 | 113.8 | 89.1 | -90.9 | -28.9 | 0 | 0 | 0 | 114.7 | S1472 | S1472-H1474 PolarHBondContact O-CD2 2.79Š| |||
| 1475 | S | 28.1 | Very low | 26.3 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 57% | 0.573 | 67% | 0.673 | S | S | * | * | trans | 72 | 127.6 | 143.7 | 86 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1476 | K | 27.3 | Very low | 26.3 | Very low | 164 Ų | 164 | 121 Ų | 121 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | cis | -137.7 | 178.6 | 12.6 | -69.4 | 92.8 | -176 | 154 | 0 | 106.7 | ||||
| 1477 | L | 27 | Very low | 26.6 | Very low | 147 Ų | 147 | 117.3 Ų | 117.3 | 77% | 0.77 | 65% | 0.65 | S | S | * | * | cis | 51.1 | 139.9 | 48.6 | -119.4 | 175.9 | 0 | 0 | 0 | 111.4 | ||||
| 1478 | L | 23.5 | Very low | 26.6 | Very low | 125 Ų | 125 | 119.4 Ų | 119.4 | 65% | 0.654 | 65% | 0.648 | S | S | * | * | trans | 63.8 | 157.4 | 176.5 | -36.9 | 160.2 | 0 | 0 | 0 | 112.8 | V1480 | L1478-V1480 HydrophobicContact CB-CG2 4.46Å; L1478-V1480 HydrophobicContact CD2-CG2 4.14Å | ||
| 1479 | L | 22.8 | Very low | 26.6 | Very low | 162 Ų | 162 | 111.7 Ų | 111.7 | 85% | 0.848 | 63% | 0.626 | S | S | * | * | cis | -105.2 | 152.7 | -9.9 | -94.3 | 96.3 | 0 | 0 | 0 | 108.6 | ||||
| 1480 | V | 23.6 | Very low | 26.7 | Very low | 84 Ų | 84 | 110.5 Ų | 110.5 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | S | Bend | cis | 156.5 | 153.9 | -4.7 | 129.2 | 0 | 0 | 0 | 0 | 102.6 | L1478 A1482 | L1478-V1480 HydrophobicContact CB-CG2 4.46Å; L1478-V1480 HydrophobicContact CD2-CG2 4.14Å; V1480-A1482 HydrophobicContact CB-CB 4.03Å; V1480-A1482 HydrophobicContact CG1-CB 3.42Å; V1480-A1482 VanDerWaalsContact CG1-CB 3.42Å; V1480-A1482 HydrophobicContact CG2-CB 3.68Å |
| 1481 | S | 26.7 | Very low | 26.6 | Very low | 110 Ų | 110 | 107.7 Ų | 107.7 | 77% | 0.769 | 61% | 0.612 | S | S | * | * | cis | -34 | 109.9 | 3.7 | -60 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1482 | A | 25.5 | Very low | 27 | Very low | 45 Ų | 45 | 106 Ų | 106 | 37% | 0.372 | 60% | 0.601 | S | S | . | * | 37.8 | 60 | 50.3 | 0 | 0 | 0 | 0 | 0 | 108.2 | V1480 V1484 | V1480-A1482 HydrophobicContact CB-CB 4.03Å; V1480-A1482 HydrophobicContact CG1-CB 3.42Å; V1480-A1482 VanDerWaalsContact CG1-CB 3.42Å; V1480-A1482 HydrophobicContact CG2-CB 3.68Å; A1482-V1484 VanDerWaalsContact O-CB 3.24Å; A1482-V1484 WeakPolarHBondContact O-CB 3.34Å; A1482-V1484 WeakPolarHBondContact O-CG2 3.11Å; A1482-V1484 PolarHBondContact O-N 2.76Å | |||
| 1483 | V | 25 | Very low | 27 | Very low | 108 Ų | 108 | 105.5 Ų | 105.5 | 66% | 0.655 | 60% | 0.602 | S | S | * | * | 65.7 | -24.8 | 128.3 | 172.1 | 0 | 0 | 0 | 0 | 117.6 | H1485 S1486 | V1483-H1485 CarbonylContact O-C 3.56Å; V1483-H1485 VanDerWaalsContact O-C 3.26Å; V1483-H1485 WeakPolarHBondContact O-CA 3.25Å; V1483-S1486 PolarHBondContact O-N 2.97Å | |||
| 1484 | V | 25 | Very low | 26.5 | Very low | 110 Ų | 110 | 102.5 Ų | 102.5 | 67% | 0.667 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | 105 | -147 | 167.7 | 0 | 0 | 0 | 0 | 111 | A1482 | A1482-V1484 VanDerWaalsContact O-CB 3.24Å; A1482-V1484 WeakPolarHBondContact O-CB 3.34Å; A1482-V1484 WeakPolarHBondContact O-CG2 3.11Å; A1482-V1484 PolarHBondContact O-N 2.76Å |
| 1485 | H | 27.7 | Very low | 26.6 | Very low | 147 Ų | 147 | 97.6 Ų | 97.6 | 68% | 0.681 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -124 | 128.1 | -12.8 | -109.7 | -63.1 | 0 | 0 | 0 | 113.4 | V1483 | V1483-H1485 CarbonylContact O-C 3.56Å; V1483-H1485 VanDerWaalsContact O-C 3.26Å; V1483-H1485 WeakPolarHBondContact O-CA 3.25Å |
| 1486 | S | 24.8 | Very low | 26.4 | Very low | 65 Ų | 65 | 100.5 Ų | 100.5 | 46% | 0.455 | 59% | 0.594 | S | S | . | * | trans | 3.6 | 141.4 | 138 | 62.1 | 0 | 0 | 0 | 0 | 116 | V1483 | V1483-S1486 PolarHBondContact O-N 2.97Š| ||
| 1487 | S | 27.1 | Very low | 26.4 | Very low | 66 Ų | 66 | 96.7 Ų | 96.7 | 46% | 0.462 | 59% | 0.588 | S | S | . | * | trans | 76.8 | 127 | 150.2 | -61 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1488 | E | 25.1 | Very low | 26.8 | Very low | 156 Ų | 156 | 95 Ų | 95 | 73% | 0.729 | 58% | 0.576 | S | S | * | * | S | Bend | 51.3 | 122.7 | 70 | -45.8 | 153.7 | 108.3 | 0 | 0 | 111.1 | |||
| 1489 | S | 22.4 | Very low | 27.5 | Very low | 55 Ų | 55 | 94.7 Ų | 94.7 | 39% | 0.385 | 58% | 0.575 | S | S | . | * | B | Isolated β-bridge | trans | 72.4 | -175.2 | 148.6 | 76.9 | 0 | 0 | 0 | 0 | 115.9 | D759 F760 | D759-S1489 VanDerWaalsContact N-CA 3.3Å; D759-S1489 WeakPolarHBondContact O-CA 3.16Å; D759-S1489 PolarHBondContact O-N 3.17Å; F760-S1489 PolarHBondContact O-N 3.02Å |
| 1490 | V | 25.3 | Very low | 28.2 | Very low | 99 Ų | 99 | 92.1 Ų | 92.1 | 60% | 0.6 | 57% | 0.571 | S | S | * | * | trans | 56.7 | 69.2 | 172.3 | -152.3 | 0 | 0 | 0 | 0 | 114.8 | M1492 | V1490-M1492 HydrophobicContact CB-CB 4.47Å; V1490-M1492 HydrophobicContact CB-CG 4.33Å; V1490-M1492 HydrophobicContact CG1-CB 4.09Å; V1490-M1492 HydrophobicContact CG1-CG 4.38Å; V1490-M1492 HydrophobicContact CG2-CG 4.31Å | ||
| 1491 | S | 24.5 | Very low | 28.3 | Very low | 61 Ų | 61 | 94.9 Ų | 94.9 | 43% | 0.427 | 58% | 0.576 | S | S | . | * | -134.4 | 90 | 78.9 | -65.4 | 0 | 0 | 0 | 0 | 111.4 | D759 A1493 | D759-S1491 VanDerWaalsContact CB-O 3.24Å; D759-S1491 WeakPolarHBondContact CB-O 3.43Å; S1491-A1493 PolarHBondContact O-N 2.75Å | |||
| 1492 | M | 33.8 | Very low | 28.5 | Very low | 100 Ų | 100 | 96.8 Ų | 96.8 | 49% | 0.493 | 58% | 0.577 | S | S | . | * | 35.9 | 31.8 | 63.4 | -58.2 | -63 | -79.8 | 0 | 0 | 114.2 | Q757 S758 V1490 G1494 | Q757-M1492 HydrophobicContact CB-SD 3.88Å; S758-M1492 PolarHBondContact OG-N 3.45Å; V1490-M1492 HydrophobicContact CB-CB 4.47Å; V1490-M1492 HydrophobicContact CB-CG 4.33Å; V1490-M1492 HydrophobicContact CG1-CB 4.09Å; V1490-M1492 HydrophobicContact CG1-CG 4.38Å; V1490-M1492 HydrophobicContact CG2-CG 4.31Å; M1492-G1494 VanDerWaalsContact C-N 3.3Å; M1492-G1494 WeakPolarHBondContact O-CA 3.37Å | |||
| 1493 | A | 31.3 | Very low | 29 | Very low | 78 Ų | 78 | 99.1 Ų | 99.1 | 65% | 0.645 | 59% | 0.589 | S | S | * | * | -75.3 | 88.7 | 118.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | S1491 | S1491-A1493 PolarHBondContact O-N 2.75Š| |||
| 1494 | G | 32.1 | Very low | 29.1 | Very low | 47 Ų | 47 | 99.2 Ų | 99.2 | 49% | 0.485 | 59% | 0.592 | S | S | . | * | cis | 61.4 | 81.5 | 24.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | M1492 | M1492-G1494 VanDerWaalsContact C-N 3.3Å; M1492-G1494 WeakPolarHBondContact O-CA 3.37Å | ||
| 1495 | G | 29.8 | Very low | 29.4 | Very low | 38 Ų | 38 | 97.1 Ų | 97.1 | 39% | 0.392 | 59% | 0.592 | S | S | . | * | cis | -172.4 | -170.9 | 7.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1496 | N | 24 | Very low | 29.6 | Very low | 143 Ų | 143 | 98.6 Ų | 98.6 | 77% | 0.765 | 60% | 0.597 | S | S | * | * | trans | 67.6 | 159.9 | -179.5 | -45.7 | -48.5 | 0 | 0 | 0 | 112.2 | ||||
| 1497 | S | 28.2 | Very low | 29.6 | Very low | 84 Ų | 84 | 105.6 Ų | 105.6 | 59% | 0.587 | 62% | 0.615 | S | S | * | * | cis | -177.7 | 156.1 | -23.4 | 48.5 | 0 | 0 | 0 | 0 | 106.5 | D1499 | S1497-D1499 WeakPolarHBondContact O-CB 3.33Š| ||
| 1498 | H | 35.3 | Very low | 29.4 | Very low | 113 Ų | 113 | 107.3 Ų | 107.3 | 52% | 0.523 | 63% | 0.627 | S | S | . | * | cis | -126.2 | 55.3 | -37.6 | -177 | -74.8 | 0 | 0 | 0 | 105.1 | F1501 | H1498-F1501 WeakPolarHBondContact O-CE2 3.29Š| ||
| 1499 | D | 38 | Very low | 29.3 | Very low | 117 Ų | 117 | 107 Ų | 107 | 63% | 0.626 | 63% | 0.629 | S | S | * | * | -156.3 | 161.8 | -129.4 | -91.5 | -71.9 | 0 | 0 | 0 | 110.7 | S1497 F1501 | S1497-D1499 WeakPolarHBondContact O-CB 3.33Å; D1499-F1501 VanDerWaalsContact OD1-CD2 3.3Å; D1499-F1501 WeakPolarHBondContact OD1-CD2 3.49Å | |||
| 1500 | S | 36.5 | Very low | 29.4 | Very low | 109 Ų | 109 | 108.6 Ų | 108.6 | 76% | 0.762 | 64% | 0.64 | S | S | * | * | cis | -155.4 | 141.5 | -4 | 44.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1501 | F | 27.5 | Very low | 29.6 | Very low | 142 Ų | 142 | 108.7 Ų | 108.7 | 62% | 0.623 | 65% | 0.645 | S | S | * | * | cis | -160.6 | 106.2 | -29.9 | -150.6 | -80.4 | 0 | 0 | 0 | 105.3 | H1498 D1499 | H1498-F1501 WeakPolarHBondContact O-CE2 3.29Å; D1499-F1501 VanDerWaalsContact OD1-CD2 3.3Å; D1499-F1501 WeakPolarHBondContact OD1-CD2 3.49Å | ||
| 1502 | D | 29.5 | Very low | 29.7 | Very low | 149 Ų | 149 | 111.8 Ų | 111.8 | 80% | 0.797 | 66% | 0.657 | S | S | * | * | trans | 58.3 | -143.5 | 163.7 | -144.4 | 19.3 | 0 | 0 | 0 | 110.5 | ||||
| 1503 | P | 35.6 | Very low | 29.4 | Very low | 94 Ų | 94 | 114.1 Ų | 114.1 | 61% | 0.61 | 67% | 0.666 | S | S | * | * | cis | -120.4 | -108.7 | -27.7 | 20.3 | 5 | 0 | 0 | 0 | 113.1 | ||||
| 1504 | P | 27.5 | Very low | 29.2 | Very low | 111 Ų | 111 | 114.9 Ų | 114.9 | 72% | 0.721 | 66% | 0.656 | S | S | * | * | trans | -85.2 | 168.4 | -151.6 | -1.4 | 26.3 | 0 | 0 | 0 | 111.5 | ||||
| 1505 | G | 32.2 | Very low | 29.2 | Very low | 65 Ų | 65 | 115.6 Ų | 115.6 | 67% | 0.67 | 65% | 0.649 | S | S | * | * | cis | 101.4 | 155.5 | 41.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1506 | K | 30.5 | Very low | 29.3 | Very low | 179 Ų | 179 | 115.5 Ų | 115.5 | 78% | 0.778 | 64% | 0.644 | S | S | * | * | S | Bend | 59.2 | 93.1 | 85.4 | -72.5 | -172.2 | 174.9 | -179.2 | 0 | 113.7 | |||
| 1507 | Y | 24.6 | Very low | 29.9 | Very low | 211 Ų | 211 | 114.1 Ų | 114.1 | 83% | 0.827 | 64% | 0.641 | S | S | * | * | trans | 77.1 | 166.1 | 156.5 | -51 | -75 | 0 | 0 | 0 | 120.3 | ||||
| 1508 | S | 22.9 | Very low | 30.1 | Very low | 102 Ų | 102 | 114.5 Ų | 114.5 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | trans | 87.8 | 128.8 | 158.8 | 76.5 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1509 | L | 24 | Very low | 29.8 | Very low | 151 Ų | 151 | 115.4 Ų | 115.4 | 79% | 0.791 | 65% | 0.648 | S | S | * | * | trans | 49.9 | 119.4 | 132.2 | -53.4 | 170.3 | 0 | 0 | 0 | 117.8 | ||||
| 1510 | S | 24.8 | Very low | 29.5 | Very low | 87 Ų | 87 | 116.6 Ų | 116.6 | 61% | 0.608 | 65% | 0.654 | S | S | * | * | 58.5 | 125 | 59.5 | 83.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1511 | S | 28.5 | Very low | 29.2 | Very low | 101 Ų | 101 | 115.9 Ų | 115.9 | 71% | 0.706 | 65% | 0.649 | S | S | * | * | trans | 67.2 | 143.6 | 155.8 | -59.8 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1512 | N | 27.3 | Very low | 29.6 | Very low | 126 Ų | 126 | 114.1 Ų | 114.1 | 67% | 0.674 | 65% | 0.652 | S | S | * | * | cis | -157.7 | -177.5 | -2.2 | -103.7 | -16.8 | 0 | 0 | 0 | 108.6 | ||||
| 1513 | H | 27.7 | Very low | 29.9 | Very low | 149 Ų | 149 | 111.7 Ų | 111.7 | 69% | 0.69 | 65% | 0.646 | S | S | * | * | trans | 76.6 | 115.8 | 166.9 | -50.2 | -74.3 | 0 | 0 | 0 | 116 | ||||
| 1514 | H | 26.9 | Very low | 29.7 | Very low | 94 Ų | 94 | 111.5 Ų | 111.5 | 44% | 0.435 | 65% | 0.648 | S | S | . | * | S | Bend | cis | -154.5 | 133.3 | 3.2 | -149 | -142.4 | 0 | 0 | 0 | 111.6 | H1679 H1680 | H1514-H1679 WeakPolarHBondContact O-CA 3.38Å; H1514-H1680 PolarHBondContact O-N 3.2Å |
| 1515 | L | 32 | Very low | 30.1 | Very low | 62 Ų | 62 | 110.9 Ų | 110.9 | 33% | 0.325 | 65% | 0.646 | S | S | . | * | trans | 83.2 | 151.6 | 161.8 | -53.9 | 167.2 | 0 | 0 | 0 | 116.1 | S1677 H1679 | L1515-S1677 VanDerWaalsContact CB-CB 3.49Å; L1515-S1677 VanDerWaalsContact CD2-CB 3.48Å; L1515-H1679 WeakPolarHBondContact O-CA 3.38Å; L1515-H1679 WeakPolarHBondContact O-CB 3.37Å; L1515-H1679 PolarHBondContact O-CD2 3.1Å; L1515-H1679 PolarHBondContact O-N 3.26Å | ||
| 1516 | A | 31.4 | Very low | 30.4 | Very low | 36 Ų | 36 | 113.2 Ų | 113.2 | 30% | 0.298 | 65% | 0.652 | S | S | . | * | trans | -98 | -123.5 | -167.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | T1518 S1677 H1678 H1679 | A1516-T1518 HydrophobicContact CB-CG2 4.3Å; A1516-S1677 CarbonylContact C-O 3.36Å; A1516-S1677 VanDerWaalsContact CB-OG 3.23Å; A1516-S1677 WeakPolarHBondContact CB-OG 3.43Å; A1516-S1677 PolarHBondContact N-O 3.42Å; A1516-S1677 PolarHBondContact N-OG 3.48Å; A1516-H1678 CarbonylContact O-C 3.59Å; A1516-H1678 WeakPolarHBondContact O-CA 3.25Å; A1516-H1679 PolarHBondContact O-N 2.89Å | ||
| 1517 | V | 37.4 | Very low | 30.6 | Very low | 114 Ų | 114 | 111.3 Ų | 111.3 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | cis | -91.7 | 130.1 | -5.9 | 179.8 | 0 | 0 | 0 | 0 | 109.5 | S1677 | V1517-S1677 WeakPolarHBondContact CG2-O 3.47Å; V1517-S1677 PolarHBondContact N-O 3.32Å | ||
| 1518 | T | 31.2 | Very low | 30.6 | Very low | 92 Ų | 92 | 105.8 Ų | 105.8 | 56% | 0.564 | 63% | 0.627 | S | S | * | * | trans | -111.9 | 175.4 | 178.9 | 51.5 | 0 | 0 | 0 | 0 | 111.2 | A1516 | A1516-T1518 HydrophobicContact CB-CG2 4.3Š| ||
| 1519 | N | 29.2 | Very low | 30.6 | Very low | 132 Ų | 132 | 107.7 Ų | 107.7 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | trans | 123.7 | 141.4 | 138 | -66.4 | -25.9 | 0 | 0 | 0 | 114.7 | ||||
| 1520 | L | 31.9 | Very low | 30.7 | Very low | 142 Ų | 142 | 109.2 Ų | 109.2 | 74% | 0.743 | 63% | 0.632 | S | S | * | * | cis | -138.4 | 134.5 | -25.2 | -79.5 | 135 | 0 | 0 | 0 | 104 | ||||
| 1521 | S | 30.2 | Very low | 30.5 | Very low | 95 Ų | 95 | 108.1 Ų | 108.1 | 66% | 0.664 | 62% | 0.623 | S | S | * | * | cis | 78.1 | 147.3 | 47.2 | 106.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1522 | P | 36.4 | Very low | 30 | Very low | 105 Ų | 105 | 113.3 Ų | 113.3 | 68% | 0.682 | 63% | 0.627 | S | S | * | * | -144.3 | -170.2 | -104.7 | 38 | -16.8 | 0 | 0 | 0 | 114.8 | |||||
| 1523 | S | 35 | Very low | 29.8 | Very low | 97 Ų | 97 | 115 Ų | 115 | 68% | 0.678 | 63% | 0.628 | S | S | * | * | trans | 69.1 | 162.5 | 140.9 | 72.3 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1524 | S | 32.6 | Very low | 29.9 | Very low | 91 Ų | 91 | 117.5 Ų | 117.5 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | trans | 51.4 | 97.7 | 156.5 | 63.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1525 | S | 35.7 | Very low | 30.1 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | -168.1 | 107.3 | 89 | 48.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 1526 | S | 38.6 | Very low | 30 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 80% | 0.797 | 67% | 0.666 | S | S | * | * | cis | 53.7 | 100.8 | 23.2 | -59.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1527 | Q | 34.2 | Very low | 29.7 | Very low | 138 Ų | 138 | 125.1 Ų | 125.1 | 65% | 0.645 | 69% | 0.688 | S | S | * | * | trans | -156.1 | 165.4 | -165.4 | -124.8 | -175 | 68.2 | 0 | 0 | 109.5 | L1529 | Q1527-L1529 PolarHBondContact O-N 2.73Å; Q1527-L1529 VanDerWaalsContact O-N 3.08Å | ||
| 1528 | H | 24.4 | Very low | 29.5 | Very low | 95 Ų | 95 | 126.5 Ų | 126.5 | 44% | 0.44 | 69% | 0.691 | S | S | . | * | 33 | 73.6 | 102 | -160.8 | 54.8 | 0 | 0 | 0 | 110.8 | |||||
| 1529 | L | 22.6 | Very low | 29.4 | Very low | 142 Ų | 142 | 127 Ų | 127 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | 66.2 | 148.4 | 86.2 | -64 | 159.9 | 0 | 0 | 0 | 112.1 | Q1527 P1531 | Q1527-L1529 PolarHBondContact O-N 2.73Å; Q1527-L1529 VanDerWaalsContact O-N 3.08Å; L1529-P1531 WeakPolarHBondContact O-CA 3.5Å | |||
| 1530 | Q | 26 | Very low | 29.2 | Very low | 183 Ų | 183 | 127.2 Ų | 127.2 | 86% | 0.855 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -63.8 | 135.5 | 152.2 | -155.6 | -137.4 | 82.2 | 0 | 0 | 107.8 | ||
| 1531 | P | 20.9 | Very low | 28.8 | Very low | 64 Ų | 64 | 126 Ų | 126 | 42% | 0.416 | 70% | 0.695 | S | S | . | * | cis | -135.2 | 158.6 | -43.1 | 37.7 | -24.1 | 0 | 0 | 0 | 112.9 | L1529 K1533 | L1529-P1531 WeakPolarHBondContact O-CA 3.5Å; P1531-K1533 PolarHBondContact O-N 3.28Å | ||
| 1532 | R | 19 | Very low | 28.5 | Very low | 210 Ų | 210 | 125.8 Ų | 125.8 | 79% | 0.792 | 69% | 0.694 | S | S | * | * | trans | -77.6 | 96.4 | 135.1 | -93.8 | -174.2 | 179.4 | -174 | 2.5 | 105.6 | ||||
| 1533 | K | 23.6 | Very low | 28.2 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 70% | 0.704 | 70% | 0.697 | S | S | * | * | 52.9 | 104.2 | 81.2 | -73.4 | -173.7 | 179 | -179 | 0 | 112.6 | P1531 | P1531-K1533 PolarHBondContact O-N 3.28Š| |||
| 1534 | K | 29.8 | Very low | 28 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 87% | 0.874 | 70% | 0.702 | S | S | * | * | 52.4 | 78.3 | 124.8 | -59 | -178.2 | 176.5 | -172.7 | 0 | 116.3 | |||||
| 1535 | S | 29.6 | Very low | 27.6 | Very low | 101 Ų | 101 | 131 Ų | 131 | 71% | 0.706 | 70% | 0.695 | S | S | * | * | trans | -160.9 | 121 | 147 | -111.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1536 | T | 31 | Very low | 27 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 68% | 0.675 | 70% | 0.698 | S | S | * | * | 52.3 | 114.4 | 99.5 | 63.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 1537 | N | 25.3 | Very low | 26.4 | Very low | 141 Ų | 141 | 136.1 Ų | 136.1 | 75% | 0.754 | 69% | 0.692 | S | S | * | * | cis | -151.6 | 179.9 | 15.3 | -94.8 | -23.4 | 0 | 0 | 0 | 114.3 | ||||
| 1538 | L | 32.4 | Very low | 26 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 75% | 0.754 | 69% | 0.689 | S | S | * | * | trans | -31.1 | 169.6 | 144.9 | -87.1 | 67.4 | 0 | 0 | 0 | 115.3 | ||||
| 1539 | P | 28.3 | Very low | 26.1 | Very low | 102 Ų | 102 | 133.8 Ų | 133.8 | 66% | 0.662 | 69% | 0.687 | S | S | * | * | cis | -116.6 | 169.3 | -0.3 | 28.2 | -6 | 0 | 0 | 0 | 110.8 | ||||
| 1540 | N | 24.9 | Very low | 26.3 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 73% | 0.733 | 67% | 0.671 | S | S | * | * | 59.6 | 140.1 | 50.2 | -157.7 | 17.2 | 0 | 0 | 0 | 112.6 | |||||
| 1541 | T | 24.9 | Very low | 26.2 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 71% | 0.706 | 65% | 0.65 | S | S | * | * | trans | 60.1 | 151.9 | -173.4 | 73.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1542 | S | 23.8 | Very low | 26.4 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | cis | -160.5 | 163.5 | -26.4 | -97 | 0 | 0 | 0 | 0 | 108 | ||||
| 1543 | Y | 30.8 | Very low | 26.6 | Very low | 190 Ų | 190 | 121.1 Ų | 121.1 | 75% | 0.745 | 65% | 0.647 | S | S | * | * | -7.5 | 126 | 125.3 | -81.1 | -63.8 | 0 | 0 | 0 | 114.5 | L1545 | Y1543-L1545 HydrophobicContact CD1-CD2 4.14Å; Y1543-L1545 HydrophobicContact CD1-CG 3.73Å; Y1543-L1545 HydrophobicContact CG-CD1 4.35Å; Y1543-L1545 HydrophobicContact CG-CD2 4.43Å; Y1543-L1545 HydrophobicContact CG-CG 3.89Å | |||
| 1544 | P | 29.6 | Very low | 26.6 | Very low | 119 Ų | 119 | 120.3 Ų | 120.3 | 77% | 0.773 | 65% | 0.65 | S | S | * | * | -103.6 | 131.7 | 80.6 | 30 | -35.4 | 0 | 0 | 0 | 111.7 | |||||
| 1545 | L | 23.7 | Very low | 26.4 | Very low | 95 Ų | 95 | 119.4 Ų | 119.4 | 50% | 0.497 | 65% | 0.649 | S | S | . | * | cis | 68.3 | 137.2 | 46.3 | -67.9 | 154.8 | 0 | 0 | 0 | 112.3 | Y1543 | Y1543-L1545 HydrophobicContact CD1-CD2 4.14Å; Y1543-L1545 HydrophobicContact CD1-CG 3.73Å; Y1543-L1545 HydrophobicContact CG-CD1 4.35Å; Y1543-L1545 HydrophobicContact CG-CD2 4.43Å; Y1543-L1545 HydrophobicContact CG-CG 3.89Å | ||
| 1546 | Y | 23.5 | Very low | 26.2 | Very low | 191 Ų | 191 | 121.8 Ų | 121.8 | 75% | 0.749 | 65% | 0.649 | S | S | * | * | trans | 77.5 | 130.3 | 140.5 | -77 | -161.3 | 0 | 0 | 0 | 115.7 | ||||
| 1547 | L | 25.9 | Very low | 25.8 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 67% | 0.665 | 65% | 0.65 | S | S | * | * | cis | -161.8 | -177.9 | -3.1 | -162.5 | 59 | 0 | 0 | 0 | 108.9 | ||||
| 1548 | V | 27.2 | Very low | 25.7 | Very low | 97 Ų | 97 | 120.7 Ų | 120.7 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | trans | 67.6 | 88.9 | 161.9 | -176.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1549 | Q | 26.2 | Very low | 25.4 | Very low | 87 Ų | 87 | 122.8 Ų | 122.8 | 41% | 0.407 | 65% | 0.646 | S | S | . | * | 78.6 | 142.7 | 75.4 | -71.9 | 164 | -27.9 | 0 | 0 | 113.4 | Q1002 | Q1002-Q1549 WeakPolarHBondContact O-CG 3.34Å; Q1002-Q1549 PolarHBondContact O-NE2 3.3Å | |||
| 1550 | N | 25.7 | Very low | 25.3 | Very low | 75 Ų | 75 | 123.6 Ų | 123.6 | 40% | 0.401 | 65% | 0.649 | S | S | . | * | trans | 84.7 | 110.9 | 160.5 | -49.9 | -15.4 | 0 | 0 | 0 | 116.6 | P1004 S1005 | P1004-N1550 VanDerWaalsContact CA-OD1 3.23Å; P1004-N1550 WeakPolarHBondContact CA-OD1 3.25Å; P1004-N1550 WeakPolarHBondContact CD-OD1 3.21Å; P1004-N1550 VanDerWaalsContact N-OD1 3.12Å; P1004-N1550 PolarHBondContact O-OD1 2.88Å; S1005-N1550 WeakPolarHBondContact O-CB 3.22Å; S1005-N1550 PolarHBondContact O-ND2 2.85Å | ||
| 1551 | S | 23.6 | Very low | 25.2 | Very low | 58 Ų | 58 | 123.6 Ų | 123.6 | 41% | 0.406 | 65% | 0.649 | S | S | . | * | cis | 97.3 | 147.6 | 19.9 | 92 | 0 | 0 | 0 | 0 | 116.1 | P1004 S1005 S1006 | P1004-S1551 PolarHBondContact O-OG 2.91Å; S1005-S1551 WeakPolarHBondContact CA-OG 3.13Å; S1006-S1551 CarbonylContact C-O 3.59Å; S1006-S1551 PolarHBondContact N-O 3.25Å | ||
| 1552 | Q | 25.1 | Very low | 25.3 | Very low | 110 Ų | 110 | 124.5 Ų | 124.5 | 51% | 0.514 | 65% | 0.645 | S | S | . | * | trans | 66.9 | 94.9 | 163.5 | -75.4 | 177.4 | -58.7 | 0 | 0 | 118.8 | Q1007 | Q1007-Q1552 PolarHBondContact N-O 2.97Š| ||
| 1553 | S | 23.7 | Very low | 25.3 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 63% | 0.629 | 66% | 0.657 | S | S | * | * | 85.4 | 138.6 | 110.8 | 64.2 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1554 | N | 23.4 | Very low | 25 | Very low | 145 Ų | 145 | 127.8 Ų | 127.8 | 78% | 0.775 | 65% | 0.651 | S | S | * | * | trans | 45.9 | 123.3 | 145.8 | -52.6 | 3.1 | 0 | 0 | 0 | 118.7 | ||||
| 1555 | E | 26.3 | Very low | 24.8 | Very low | 182 Ų | 182 | 126.5 Ų | 126.5 | 85% | 0.85 | 65% | 0.645 | S | S | * | * | -171.1 | -178.7 | 101.2 | -106.4 | 164.7 | -143.2 | 0 | 0 | 112.3 | |||||
| 1556 | E | 24.5 | Very low | 25 | Very low | 152 Ų | 152 | 128 Ų | 128 | 71% | 0.71 | 65% | 0.654 | S | S | * | * | trans | -93.8 | 174.4 | -161.3 | -58 | -168 | 100.6 | 0 | 0 | 115.7 | ||||
| 1557 | M | 24 | Very low | 25.3 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 70% | 0.695 | 65% | 0.651 | S | S | * | * | trans | 50.8 | 122.7 | 142.2 | -82.2 | -171.1 | -86.1 | 0 | 0 | 121.3 | ||||
| 1558 | S | 23.1 | Very low | 25.5 | Very low | 87 Ų | 87 | 123 Ų | 123 | 61% | 0.608 | 65% | 0.652 | S | S | * | * | 60 | 94.1 | 129.4 | -56.5 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 1559 | K | 25.5 | Very low | 25.6 | Very low | 187 Ų | 187 | 122.4 Ų | 122.4 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | 179.6 | 101.4 | 110.6 | -88.4 | 140.8 | -157 | 160.5 | 0 | 113.5 | |||||
| 1560 | T | 25.1 | Very low | 25.6 | Very low | 120 Ų | 120 | 125.2 Ų | 125.2 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | 41.3 | 119.3 | 105.4 | -51.2 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 1561 | L | 24.5 | Very low | 25.7 | Very low | 137 Ų | 137 | 125.5 Ų | 125.5 | 72% | 0.717 | 68% | 0.682 | S | S | * | * | trans | 89.6 | 136.6 | 150.7 | -78.3 | 172.6 | 0 | 0 | 0 | 123.1 | ||||
| 1562 | H | 25.2 | Very low | 25.8 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 62% | 0.62 | 70% | 0.699 | S | S | * | * | trans | 57.4 | 114.8 | 152.3 | -66.4 | -48.4 | 0 | 0 | 0 | 120 | ||||
| 1563 | F | 25.1 | Very low | 25.7 | Very low | 204 Ų | 204 | 128.7 Ų | 128.7 | 90% | 0.895 | 71% | 0.706 | S | S | * | * | -145.2 | 153.4 | 91.7 | -83.6 | -92.2 | 0 | 0 | 0 | 109.2 | |||||
| 1564 | K | 24.7 | Very low | 25.7 | Very low | 145 Ų | 145 | 131.1 Ų | 131.1 | 63% | 0.63 | 71% | 0.712 | S | S | * | * | cis | -175 | 171.6 | -37.7 | -141 | -175.2 | 179 | -172.6 | 0 | 107.3 | ||||
| 1565 | S | 24.8 | Very low | 25.8 | Very low | 92 Ų | 92 | 129 Ų | 129 | 64% | 0.643 | 70% | 0.704 | S | S | * | * | trans | 74.8 | 141.9 | 156 | 79.3 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1566 | N | 27.6 | Very low | 25.7 | Very low | 127 Ų | 127 | 126.7 Ų | 126.7 | 68% | 0.679 | 70% | 0.698 | S | S | * | * | cis | -162.3 | 146.8 | -9.5 | -119.7 | 6.3 | 0 | 0 | 0 | 113.1 | ||||
| 1567 | T | 30.5 | Very low | 25.7 | Very low | 113 Ų | 113 | 126.2 Ų | 126.2 | 69% | 0.693 | 70% | 0.7 | S | S | * | * | trans | 63.2 | 152.2 | 150.3 | 50.6 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1568 | C | 29.3 | Very low | 25.8 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | cis | -131.7 | 147.7 | 8.5 | -127.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1569 | C | 29.9 | Very low | 25.9 | Very low | 83 Ų | 83 | 127 Ų | 127 | 56% | 0.561 | 70% | 0.701 | S | S | * | * | 61.9 | 135.8 | 86.9 | -35.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1570 | N | 26.8 | Very low | 26 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 78% | 0.781 | 69% | 0.694 | S | S | * | * | cis | -171.2 | 172.9 | -3.8 | -116 | -16.1 | 0 | 0 | 0 | 108.3 | ||||
| 1571 | A | 27.3 | Very low | 26.2 | Very low | 82 Ų | 82 | 124.7 Ų | 124.7 | 68% | 0.678 | 69% | 0.693 | S | S | * | * | trans | 69.3 | 155.2 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1572 | T | 24.8 | Very low | 26.5 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 76% | 0.761 | 69% | 0.693 | S | S | * | * | cis | -155 | 149.2 | -5.9 | 2.6 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1573 | V | 23.9 | Very low | 26.7 | Very low | 110 Ų | 110 | 122.7 Ų | 122.7 | 67% | 0.667 | 70% | 0.696 | S | S | * | * | 25.4 | 100.5 | 128.4 | 179.2 | 0 | 0 | 0 | 0 | 117 | V1575 | V1573-V1575 HydrophobicContact CG1-CG2 4.47Š| |||
| 1574 | N | 24.4 | Very low | 27.1 | Very low | 142 Ų | 142 | 122.5 Ų | 122.5 | 76% | 0.759 | 70% | 0.695 | S | S | * | * | -168.9 | 138.5 | 106.1 | -92.6 | -28.2 | 0 | 0 | 0 | 109.2 | |||||
| 1575 | V | 25 | Very low | 27.2 | Very low | 101 Ų | 101 | 120.9 Ų | 120.9 | 61% | 0.612 | 70% | 0.702 | S | S | * | * | cis | 91.4 | 121.1 | 32.8 | 172.9 | 0 | 0 | 0 | 0 | 113 | V1573 | V1573-V1575 HydrophobicContact CG1-CG2 4.47Š| ||
| 1576 | N | 24.2 | Very low | 27.7 | Very low | 132 Ų | 132 | 120.5 Ų | 120.5 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | trans | 78.6 | 127.8 | 157.2 | -69.2 | -5.5 | 0 | 0 | 0 | 122.2 | ||||
| 1577 | N | 25 | Very low | 27.9 | Very low | 143 Ų | 143 | 120 Ų | 120 | 77% | 0.765 | 71% | 0.711 | S | S | * | * | trans | 76.2 | 142.2 | 137 | -63 | -1 | 0 | 0 | 0 | 119.4 | ||||
| 1578 | S | 24.8 | Very low | 27.8 | Very low | 85 Ų | 85 | 119 Ų | 119 | 59% | 0.594 | 71% | 0.709 | S | S | * | * | cis | -175.3 | 162.7 | -7.1 | 46.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1579 | H | 26.5 | Very low | 27.8 | Very low | 158 Ų | 158 | 121 Ų | 121 | 73% | 0.731 | 71% | 0.712 | S | S | * | * | trans | 69.8 | 142 | 166.3 | -65.1 | -79.4 | 0 | 0 | 0 | 116.7 | ||||
| 1580 | E | 26.4 | Very low | 27.7 | Very low | 142 Ų | 142 | 123.7 Ų | 123.7 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | cis | -155.9 | 147.5 | -2.7 | -152.8 | 133.2 | -127.1 | 0 | 0 | 112.6 | ||||
| 1581 | T | 29.2 | Very low | 27.7 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 72% | 0.718 | 72% | 0.716 | S | S | * | * | trans | 39.8 | 139.1 | 153.6 | 53.7 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1582 | T | 30.7 | Very low | 27.7 | Very low | 116 Ų | 116 | 126 Ų | 126 | 71% | 0.712 | 72% | 0.72 | S | S | * | * | cis | -177.3 | 159.4 | 9.1 | 21.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1583 | T | 30.3 | Very low | 27.6 | Very low | 113 Ų | 113 | 124.6 Ų | 124.6 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | cis | -171.3 | 158.6 | -21.8 | 26.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1584 | K | 32.4 | Very low | 27.6 | Very low | 200 Ų | 200 | 125.8 Ų | 125.8 | 87% | 0.87 | 72% | 0.716 | S | S | * | * | trans | 73.2 | 136.3 | 174.2 | -55.9 | 168.4 | -178.5 | 174.1 | 0 | 115.2 | ||||
| 1585 | S | 28.5 | Very low | 27.5 | Very low | 111 Ų | 111 | 125 Ų | 125 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | cis | -176 | 154.5 | -11.2 | 43 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1586 | A | 34.4 | Very low | 27.4 | Very low | 84 Ų | 84 | 129 Ų | 129 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | cis | -174.8 | 153.3 | -21.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1587 | S | 32 | Very low | 27.5 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | trans | 67 | 141.4 | 162.9 | -52 | 0 | 0 | 0 | 0 | 118 | ||||
| 1588 | S | 29 | Very low | 27.5 | Very low | 93 Ų | 93 | 129 Ų | 129 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | cis | -160.5 | 146 | -5.5 | -97.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1589 | L | 29.6 | Very low | 27.8 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 75% | 0.749 | 73% | 0.729 | S | S | * | * | 58.8 | 143.5 | 71.9 | -57.1 | 171.5 | 0 | 0 | 0 | 113 | |||||
| 1590 | L | 27.2 | Very low | 27.9 | Very low | 139 Ų | 139 | 126.7 Ų | 126.7 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | cis | -141.3 | 140.8 | 13.8 | -95.9 | 108.8 | 0 | 0 | 0 | 109.4 | ||||
| 1591 | L | 26.3 | Very low | 28 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | 63.3 | 147.1 | 95.4 | -87.9 | 76.7 | 0 | 0 | 0 | 119.1 | |||||
| 1592 | L | 26.6 | Very low | 28.1 | Very low | 144 Ų | 144 | 126.3 Ų | 126.3 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | 95.3 | 128.2 | 144.6 | -113.6 | 78 | 0 | 0 | 0 | 122.9 | ||||
| 1593 | C | 24.5 | Very low | 28.1 | Very low | 93 Ų | 93 | 128 Ų | 128 | 63% | 0.628 | 73% | 0.727 | S | S | * | * | trans | 66.3 | 118.4 | 135 | -83.6 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1594 | N | 22.4 | Very low | 28 | Very low | 135 Ų | 135 | 129.5 Ų | 129.5 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | 60.3 | 139.3 | 120 | -64.9 | -20 | 0 | 0 | 0 | 122.4 | |||||
| 1595 | T | 23.5 | Very low | 27.9 | Very low | 125 Ų | 125 | 126.8 Ų | 126.8 | 77% | 0.767 | 73% | 0.725 | S | S | * | * | trans | 63 | 115 | 151.8 | 44.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1596 | K | 23.1 | Very low | 27.9 | Very low | 187 Ų | 187 | 126.7 Ų | 126.7 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | 77 | 139.1 | 66.4 | -168.7 | -172.8 | -176.3 | -173.1 | 0 | 112 | |||||
| 1597 | T | 25 | Very low | 27.7 | Very low | 113 Ų | 113 | 127.7 Ų | 127.7 | 69% | 0.693 | 71% | 0.713 | S | S | * | * | trans | 92.3 | 115.3 | 175.1 | 72.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1598 | N | 25.1 | Very low | 27.5 | Very low | 161 Ų | 161 | 127.9 Ų | 127.9 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | trans | 64.2 | 145.3 | 131.3 | -57.2 | 18 | 0 | 0 | 0 | 122.1 | ||||
| 1599 | G | 30.6 | Very low | 27.6 | Very low | 56 Ų | 56 | 129.2 Ų | 129.2 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | trans | 102 | 130.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1600 | N | 28.9 | Very low | 27.6 | Very low | 138 Ų | 138 | 127.6 Ų | 127.6 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | cis | -172 | 133.8 | -44.5 | -110.8 | 40.1 | 0 | 0 | 0 | 107.2 | ||||
| 1601 | N | 29.7 | Very low | 27.8 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 64% | 0.636 | 70% | 0.699 | S | S | * | * | trans | 62.9 | 158.9 | 149.7 | -57.4 | 64.1 | 0 | 0 | 0 | 119 | ||||
| 1602 | D | 29.7 | Very low | 28.2 | Very low | 132 Ų | 132 | 125.6 Ų | 125.6 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | cis | -159.1 | 164.9 | -25.1 | -89.7 | -16.3 | 0 | 0 | 0 | 110.2 | ||||
| 1603 | E | 30.9 | Very low | 28.5 | Very low | 151 Ų | 151 | 124.1 Ų | 124.1 | 71% | 0.706 | 68% | 0.681 | S | S | * | * | trans | 0.9 | 126.8 | 161.3 | -58.8 | -162 | 102.7 | 0 | 0 | 125.2 | ||||
| 1604 | N | 29.4 | Very low | 28.9 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 78% | 0.781 | 68% | 0.679 | S | S | * | * | 63.7 | 161.8 | 103.2 | -138.4 | -5.9 | 0 | 0 | 0 | 124.7 | |||||
| 1605 | I | 30.4 | Very low | 29.4 | Very low | 143 Ų | 143 | 122.6 Ų | 122.6 | 73% | 0.733 | 67% | 0.667 | S | S | * | * | trans | 89.8 | 93 | 163.8 | -48.7 | 177.8 | 0 | 0 | 0 | 121.6 | ||||
| 1606 | D | 28.1 | Very low | 29.8 | Very low | 108 Ų | 108 | 118 Ų | 118 | 58% | 0.578 | 64% | 0.642 | S | S | * | * | 46.1 | 159.3 | 112.1 | -148.5 | 19.1 | 0 | 0 | 0 | 126.2 | S572 | S572-D1606 PolarHBondContact OG-OD1 3.3Š| |||
| 1607 | V | 29.8 | Very low | 30.2 | Very low | 105 Ų | 105 | 113.5 Ų | 113.5 | 64% | 0.636 | 63% | 0.627 | S | S | * | * | trans | 96.4 | 99.1 | 157.7 | -171.2 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1608 | N | 28 | Very low | 30.6 | Very low | 121 Ų | 121 | 112.2 Ų | 112.2 | 65% | 0.647 | 62% | 0.616 | S | S | * | * | trans | 66 | 150.7 | 132.8 | -67.4 | -8.3 | 0 | 0 | 0 | 128.9 | ||||
| 1609 | T | 30.4 | Very low | 30.8 | Very low | 121 Ų | 121 | 108.6 Ų | 108.6 | 74% | 0.742 | 60% | 0.602 | S | S | * | * | trans | 101.6 | 96 | 137 | 24.2 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 1610 | T | 30.8 | Very low | 31 | Very low | 109 Ų | 109 | 112.2 Ų | 112.2 | 67% | 0.669 | 61% | 0.608 | S | S | * | * | 74.1 | 122.4 | 123.5 | 52 | 0 | 0 | 0 | 0 | 127.1 | |||||
| 1611 | N | 31.2 | Very low | 31.1 | Very low | 112 Ų | 112 | 111.9 Ų | 111.9 | 60% | 0.599 | 61% | 0.606 | S | S | * | * | 104.7 | 135.7 | 118.4 | -76.1 | 11.1 | 0 | 0 | 0 | 126.4 | |||||
| 1612 | H | 33.4 | Very low | 31.1 | Very low | 118 Ų | 118 | 111.7 Ų | 111.7 | 55% | 0.546 | 61% | 0.609 | S | S | . | * | trans | 52.7 | 129.5 | 150.8 | -66.2 | -58.5 | 0 | 0 | 0 | 120.1 | S2034 S2035 | H1612-S2034 CarbonylContact O-C 3.59Å; H1612-S2034 WeakPolarHBondContact O-CA 3.45Å; H1612-S2034 PolarHBondContact O-N 3.26Å; H1612-S2035 PolarHBondContact O-N 2.96Å | ||
| 1613 | H | 33.8 | Very low | 31 | Very low | 113 Ų | 113 | 110.4 Ų | 110.4 | 52% | 0.523 | 61% | 0.606 | S | S | . | * | cis | -172.8 | 164.5 | 39.7 | -117.9 | -47.6 | 0 | 0 | 0 | 113.7 | E2033 | H1613-E2033 PolarHBondContact N-O 3.04Š| ||
| 1614 | N | 33 | Very low | 30.9 | Very low | 108 Ų | 108 | 110.7 Ų | 110.7 | 58% | 0.578 | 61% | 0.613 | S | S | * | * | trans | 18.7 | 153.2 | 134.9 | -67.3 | 50.1 | 0 | 0 | 0 | 122.2 | ||||
| 1615 | D | 31.8 | Very low | 30.8 | Very low | 88 Ų | 88 | 109 Ų | 109 | 47% | 0.471 | 61% | 0.612 | S | S | . | * | cis | -161.7 | 160.2 | 12.6 | -136.3 | -47.1 | 0 | 0 | 0 | 115.8 | Q2205 | D1615-Q2205 PolarHBondContact O-NE2 3.2Š| ||
| 1616 | A | 32.8 | Very low | 30.9 | Very low | 30 Ų | 30 | 107.7 Ų | 107.7 | 25% | 0.248 | 61% | 0.613 | C | S | . | * | trans | 66.6 | 164.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | S2204 Q2205 Q2206 | A1616-S2204 VanDerWaalsContact O-CA 3.25Å; A1616-S2204 WeakPolarHBondContact O-CA 2.93Å; A1616-S2204 WeakPolarHBondContact O-CB 3.17Å; A1616-Q2205 HydrophobicContact CB-CB 4.31Å; A1616-Q2205 HydrophobicContact CB-CG 3.66Å; A1616-Q2205 PolarHBondContact O-N 3.03Å; A1616-Q2206 HydrophobicContact CB-CG 4.45Å | ||
| 1617 | N | 31.5 | Very low | 30.9 | Very low | 92 Ų | 92 | 108 Ų | 108 | 49% | 0.492 | 62% | 0.619 | S | S | . | * | cis | 175.3 | 149.6 | -35.9 | -111.1 | -59.2 | 0 | 0 | 0 | 109 | Q2205 Q2206 | N1617-Q2205 VanDerWaalsContact N-N 3.18Å; N1617-Q2205 CarbonylContact O-C 3.6Å; N1617-Q2205 VanDerWaalsContact O-CA 3.27Å; N1617-Q2205 WeakPolarHBondContact O-CA 3.18Å; N1617-Q2205 PolarHBondContact O-N 3.48Å; N1617-Q2206 PolarHBondContact O-N 3.28Å | ||
| 1618 | N | 34.3 | Very low | 30.7 | Very low | 86 Ų | 86 | 109.9 Ų | 109.9 | 46% | 0.46 | 62% | 0.624 | S | S | . | * | trans | 96.7 | 146.3 | 143.3 | -139.3 | 12.5 | 0 | 0 | 0 | 124.5 | Q2206 | N1618-Q2206 WeakPolarHBondContact CB-O 3.31Å; N1618-Q2206 PolarHBondContact ND2-O 3.03Å | ||
| 1619 | C | 29.3 | Very low | 30.5 | Very low | 85 Ų | 85 | 110.9 Ų | 110.9 | 57% | 0.574 | 63% | 0.629 | S | S | * | * | trans | 68.3 | 144.9 | 158.4 | -73.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1620 | N | 33.5 | Very low | 30.3 | Very low | 132 Ų | 132 | 112.1 Ų | 112.1 | 71% | 0.706 | 63% | 0.631 | S | S | * | * | cis | 162.3 | 162.5 | -26.2 | -98.9 | -24.8 | 0 | 0 | 0 | 106.8 | ||||
| 1621 | N | 31.8 | Very low | 29.9 | Very low | 130 Ų | 130 | 111.2 Ų | 111.2 | 70% | 0.695 | 63% | 0.629 | S | S | * | * | cis | -174.3 | -166.1 | -31.2 | -162.2 | -10.5 | 0 | 0 | 0 | 106.4 | ||||
| 1622 | V | 28.6 | Very low | 29.5 | Very low | 116 Ų | 116 | 114.8 Ų | 114.8 | 70% | 0.703 | 64% | 0.64 | S | S | * | * | trans | 73.4 | 106.2 | 166.4 | -171.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1623 | T | 28.8 | Very low | 29.1 | Very low | 105 Ų | 105 | 117.1 Ų | 117.1 | 64% | 0.644 | 65% | 0.651 | S | S | * | * | cis | 78.5 | 118.9 | 48.7 | 72.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1624 | N | 28 | Very low | 28.8 | Very low | 157 Ų | 157 | 123 Ų | 123 | 84% | 0.84 | 67% | 0.67 | S | S | * | * | -176.9 | 155.2 | 118.5 | -88.7 | -15.9 | 0 | 0 | 0 | 114.2 | |||||
| 1625 | S | 27.1 | Very low | 28.4 | Very low | 110 Ų | 110 | 122.6 Ų | 122.6 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | trans | -99.5 | -161.2 | -169.2 | -38.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1626 | P | 33.5 | Very low | 28.2 | Very low | 116 Ų | 116 | 121.9 Ų | 121.9 | 75% | 0.753 | 67% | 0.668 | S | S | * | * | cis | -138.6 | -166.5 | -7.1 | 33.1 | -9.2 | 0 | 0 | 0 | 115.5 | ||||
| 1627 | T | 28.3 | Very low | 28 | Very low | 114 Ų | 114 | 129.8 Ų | 129.8 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | trans | 132.1 | 80.8 | 132.9 | -41.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1628 | I | 25.8 | Very low | 27.7 | Very low | 145 Ų | 145 | 130.7 Ų | 130.7 | 74% | 0.744 | 71% | 0.706 | S | S | * | * | 74.5 | 132.4 | 124.9 | -67.3 | 175.5 | 0 | 0 | 0 | 123.3 | |||||
| 1629 | N | 23.5 | Very low | 27.2 | Very low | 142 Ų | 142 | 132 Ų | 132 | 76% | 0.759 | 72% | 0.717 | S | S | * | * | trans | 91.7 | 141 | 151.5 | -83 | -4.1 | 0 | 0 | 0 | 123.9 | ||||
| 1630 | N | 26.3 | Very low | 27 | Very low | 147 Ų | 147 | 134.7 Ų | 134.7 | 79% | 0.786 | 73% | 0.725 | S | S | * | * | trans | 64.7 | 136 | 173.7 | -58.4 | -5.4 | 0 | 0 | 0 | 116.3 | ||||
| 1631 | S | 21.9 | Very low | 26.6 | Very low | 90 Ų | 90 | 134.9 Ų | 134.9 | 63% | 0.629 | 73% | 0.725 | S | S | * | * | cis | 167.5 | 153.5 | -27.5 | 42.4 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 1632 | F | 23 | Very low | 26.3 | Very low | 187 Ų | 187 | 135.6 Ų | 135.6 | 82% | 0.82 | 73% | 0.729 | S | S | * | * | trans | 64.3 | 111.4 | -154.3 | -59.2 | -87.2 | 0 | 0 | 0 | 111.8 | ||||
| 1633 | Q | 24.4 | Very low | 26.1 | Very low | 166 Ų | 166 | 140 Ų | 140 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | cis | 72.3 | 86.2 | 48 | -163.7 | -174.8 | 17.4 | 0 | 0 | 112.7 | ||||
| 1634 | Y | 27.9 | Very low | 26 | Very low | 238 Ų | 238 | 140 Ų | 140 | 93% | 0.933 | 74% | 0.737 | S | S | * | * | trans | -170.5 | 76.6 | 156.7 | -108.6 | -67.5 | 0 | 0 | 0 | 110.5 | ||||
| 1635 | D | 24.7 | Very low | 25.9 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 52% | 0.524 | 73% | 0.73 | S | S | . | * | trans | -82.3 | 147.7 | -175.2 | -143.3 | 54.9 | 0 | 0 | 0 | 112.5 | ||||
| 1636 | P | 26.6 | Very low | 25.8 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 48% | 0.481 | 73% | 0.73 | S | S | . | * | trans | -100.9 | 111.3 | -139.2 | 0.7 | 19.7 | 0 | 0 | 0 | 115.5 | T1638 | P1636-T1638 WeakPolarHBondContact CB-OG1 3.36Å; P1636-T1638 PolarHBondContact O-N 3.04Å; P1636-T1638 VanDerWaalsContact O-N 3.07Å | ||
| 1637 | K | 28.3 | Very low | 25.5 | Very low | 196 Ų | 196 | 137.4 Ų | 137.4 | 85% | 0.852 | 72% | 0.719 | S | S | * | * | trans | -80.6 | 68.6 | 159.4 | -73.7 | 179.8 | -179.9 | 168.6 | 0 | 111.3 | ||||
| 1638 | T | 26 | Very low | 25.4 | Very low | 110 Ų | 110 | 134.8 Ų | 134.8 | 68% | 0.675 | 70% | 0.7 | S | S | * | * | trans | -144.5 | 149.2 | 179.8 | 50.9 | 0 | 0 | 0 | 0 | 109.8 | P1636 | P1636-T1638 WeakPolarHBondContact CB-OG1 3.36Å; P1636-T1638 PolarHBondContact O-N 3.04Å; P1636-T1638 VanDerWaalsContact O-N 3.07Å | ||
| 1639 | V | 24.9 | Very low | 25.4 | Very low | 113 Ų | 113 | 130 Ų | 130 | 69% | 0.685 | 68% | 0.678 | S | S | * | * | cis | -156.7 | 153.5 | -1 | 105.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1640 | N | 23.7 | Very low | 25.5 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 76% | 0.759 | 66% | 0.656 | S | S | * | * | S | Bend | trans | 154.1 | 132.7 | 140.1 | -88.9 | -51.7 | 0 | 0 | 0 | 111.4 | ||
| 1641 | I | 25.9 | Very low | 25.5 | Very low | 137 Ų | 137 | 121.2 Ų | 121.2 | 70% | 0.703 | 63% | 0.628 | S | S | * | * | cis | -134.5 | 120.6 | 1.2 | -54.8 | -178.5 | 0 | 0 | 0 | 109.8 | Y1643 | I1641-Y1643 HydrophobicContact CG2-CD2 3.95Š| ||
| 1642 | D | 24.6 | Very low | 25.8 | Very low | 144 Ų | 144 | 117.7 Ų | 117.7 | 77% | 0.77 | 60% | 0.604 | S | S | * | * | trans | -83.1 | 143 | 155.6 | -96.5 | -54.7 | 0 | 0 | 0 | 110 | ||||
| 1643 | Y | 25.7 | Very low | 26 | Very low | 209 Ų | 209 | 112.5 Ų | 112.5 | 82% | 0.82 | 59% | 0.587 | S | S | * | * | trans | -150.4 | 92.9 | 151.7 | -106.4 | -78.5 | 0 | 0 | 0 | 111.8 | I1641 | I1641-Y1643 HydrophobicContact CG2-CD2 3.95Š| ||
| 1644 | C | 25.7 | Very low | 26.2 | Very low | 104 Ų | 104 | 109.4 Ų | 109.4 | 70% | 0.703 | 58% | 0.58 | S | S | * | * | 34.8 | 153.9 | 114.4 | -59.7 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 1645 | A | 25.9 | Very low | 26.2 | Very low | 83 Ų | 83 | 103.7 Ų | 103.7 | 69% | 0.686 | 57% | 0.574 | S | S | * | * | cis | 172.1 | -166.1 | -19.3 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1646 | V | 24.6 | Very low | 26.4 | Very low | 127 Ų | 127 | 104.9 Ų | 104.9 | 77% | 0.77 | 59% | 0.589 | S | S | * | * | trans | 81.5 | 102.4 | 153.6 | -174.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1647 | K | 26.7 | Very low | 26.5 | Very low | 119 Ų | 119 | 106.2 Ų | 106.2 | 52% | 0.517 | 60% | 0.6 | S | S | . | * | 57.8 | 112.1 | 128.7 | -59.5 | -176.9 | -175.2 | 175.3 | 0 | 124.1 | D2187 | K1647-D2187 IonicContact NZ-OD1 2.66Å; K1647-D2187 PolarHBondContact NZ-OD1 3.48Å; K1647-D2187 IonicContact NZ-OD2 3.63Å; K1647-D2187 PolarHBondContact NZ-OD2 2.72Å | |||
| 1648 | N | 26.7 | Very low | 26.5 | Very low | 59 Ų | 59 | 102.7 Ų | 102.7 | 32% | 0.316 | 60% | 0.595 | S | S | . | * | 90.7 | 130.1 | 109.5 | -55.1 | -5.5 | 0 | 0 | 0 | 126.3 | T406 S407 G408 | T406-N1648 VanDerWaalsContact C-CG 3.43Å; T406-N1648 VanDerWaalsContact CB-OD1 3.27Å; T406-N1648 WeakPolarHBondContact CB-OD1 3.43Å; T406-N1648 CarbonylContact O-C 2.93Å; T406-N1648 WeakPolarHBondContact O-CA 3.43Å; T406-N1648 VanDerWaalsContact O-CB 3.32Å; T406-N1648 WeakPolarHBondContact O-CB 3.49Å; T406-N1648 PolarHBondContact O-OD1 3.08Å; T406-N1648 WeakPolarHBondContact OG1-CA 3.02Å; T406-N1648 PolarHBondContact OG1-N 3.48Å; S407-N1648 WeakPolarHBondContact CA-ND2 3.47Å; S407-N1648 PolarHBondContact N-OD1 2.89Å; G408-N1648 PolarHBondContact N-ND2 2.65Å | |||
| 1649 | V | 25.6 | Very low | 26.5 | Very low | 44 Ų | 44 | 104.1 Ų | 104.1 | 27% | 0.267 | 60% | 0.598 | S | S | . | * | trans | 120.9 | 99.3 | 139.3 | -155.5 | 0 | 0 | 0 | 0 | 122.4 | T406 L1194 | T406-V1649 WeakPolarHBondContact O-CA 3.34Å; T406-V1649 PolarHBondContact O-N 3.35Å; L1194-V1649 WeakPolarHBondContact O-CG1 3.44Å | ||
| 1650 | Q | 25.6 | Very low | 26.8 | Very low | 65 Ų | 65 | 107.9 Ų | 107.9 | 30% | 0.304 | 61% | 0.605 | S | S | . | * | trans | 71.8 | 167.9 | 138.8 | -138.4 | 163.4 | -35.2 | 0 | 0 | 123.1 | S404 V405 I1191 P1192 P1193 | S404-Q1650 WeakPolarHBondContact CB-O 3.48Å; S404-Q1650 CarbonylContact O-C 3.57Å; S404-Q1650 WeakPolarHBondContact O-CA 3.43Å; S404-Q1650 PolarHBondContact O-N 2.84Å; V405-Q1650 HydrophobicContact CG1-CB 4.35Å; V405-Q1650 HydrophobicContact CG1-CG 4.26Å; V405-Q1650 HydrophobicContact CG2-CG 4.38Å; I1191-Q1650 VanDerWaalsContact CG2-NE2 3.34Å; P1192-Q1650 WeakPolarHBondContact O-CB 3.44Å; P1192-Q1650 WeakPolarHBondContact O-CG 3.38Å; P1193-Q1650 WeakPolarHBondContact CA-O 3.45Å; P1193-Q1650 WeakPolarHBondContact CB-O 3.42Å; P1193-Q1650 VanDerWaalsContact CG-O 3.26Å; P1193-Q1650 WeakPolarHBondContact CG-O 3.34Å; P1193-Q1650 VanDerWaalsContact N-C 3.32Å | ||
| 1651 | I | 26.3 | Very low | 27 | Very low | 40 Ų | 40 | 108 Ų | 108 | 21% | 0.205 | 60% | 0.601 | C | S | . | * | trans | -94.8 | -102.3 | -142.4 | -24.7 | 164.9 | 0 | 0 | 0 | 123.7 | Y402 I403 S404 V405 I1191 P1193 | Y402-I1651 HydrophobicContact CD1-CG2 3.76Å; Y402-I1651 HydrophobicContact CE1-CG2 3.79Å; I403-I1651 HydrophobicContact CG2-CB 4.36Å; I403-I1651 HydrophobicContact CG2-CG2 3.51Å; I403-I1651 WeakPolarHBondContact CG2-O 3.36Å; S404-I1651 VanDerWaalsContact O-CG1 3.31Å; S404-I1651 WeakPolarHBondContact O-CG1 3.08Å; S404-I1651 PolarHBondContact O-N 3.47Å; V405-I1651 HydrophobicContact CG2-CD1 3.78Å; V405-I1651 HydrophobicContact CG2-CG1 3.42Å; V405-I1651 VanDerWaalsContact CG2-CG1 3.42Å; I1191-I1651 WeakPolarHBondContact O-CA 3.42Å; I1191-I1651 WeakPolarHBondContact O-CB 3.36Å; I1191-I1651 WeakPolarHBondContact O-CG1 3.44Å; I1191-I1651 PolarHBondContact O-N 2.98Å; P1193-I1651 VanDerWaalsContact CD-C 3.46Å; P1193-I1651 WeakPolarHBondContact CG-O 3.39Å; P1193-I1651 VanDerWaalsContact N-N 3.18Å | ||
| 1652 | P | 29.5 | Very low | 27 | Very low | 17 Ų | 17 | 108 Ų | 108 | 11% | 0.11 | 60% | 0.601 | C | S | . | * | trans | -122.5 | -167.2 | -136.1 | 39.3 | -17.5 | 0 | 0 | 0 | 117.9 | T1190 I1191 R1714 | T1190-P1652 HydrophobicContact CG2-CG 3.9Å; I1191-P1652 VanDerWaalsContact C-CD 3.44Å; I1191-P1652 WeakPolarHBondContact O-CD 3.34Å; P1652-R1714 VanDerWaalsContact CG-NH2 3.31Å | ||
| 1653 | V | 26.4 | Very low | 27.2 | Very low | 77 Ų | 77 | 106.8 Ų | 106.8 | 47% | 0.467 | 60% | 0.595 | S | S | . | * | -140 | -123.8 | 72.7 | -148.2 | 0 | 0 | 0 | 0 | 116.3 | R1714 | V1653-R1714 WeakPolarHBondContact O-CD 3.26Å; V1653-R1714 VanDerWaalsContact O-CZ 3.27Å; V1653-R1714 PolarHBondContact O-NH1 3.07Å | |||
| 1654 | T | 28.8 | Very low | 27.3 | Very low | 102 Ų | 102 | 102.9 Ų | 102.9 | 63% | 0.626 | 59% | 0.587 | S | S | * | * | trans | -116.3 | -178.3 | -153.7 | 25.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 1655 | S | 28 | Very low | 27.2 | Very low | 117 Ų | 117 | 104.8 Ų | 104.8 | 82% | 0.818 | 59% | 0.589 | S | S | * | * | cis | -159.4 | -163.7 | 0.3 | 28.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1656 | C | 28.1 | Very low | 27.4 | Very low | 123 Ų | 123 | 106.5 Ų | 106.5 | 83% | 0.831 | 59% | 0.593 | S | S | * | * | trans | -115.2 | -169.8 | -174.2 | -168.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1657 | S | 29.8 | Very low | 27.5 | Very low | 102 Ų | 102 | 104.9 Ų | 104.9 | 71% | 0.713 | 59% | 0.587 | S | S | * | * | trans | 96 | 144.5 | 171.7 | 80.6 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 1658 | T | 28 | Very low | 27.4 | Very low | 122 Ų | 122 | 103.5 Ų | 103.5 | 75% | 0.748 | 59% | 0.593 | S | S | * | * | cis | -161.3 | 154.6 | -8.7 | 6.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1659 | L | 25.7 | Very low | 27.3 | Very low | 141 Ų | 141 | 108 Ų | 108 | 74% | 0.738 | 62% | 0.617 | S | S | * | * | trans | 14.9 | 129.4 | 144.6 | -67.9 | 164.1 | 0 | 0 | 0 | 121.3 | ||||
| 1660 | K | 30.8 | Very low | 27.5 | Very low | 191 Ų | 191 | 109.5 Ų | 109.5 | 83% | 0.83 | 63% | 0.629 | S | S | * | * | -171.6 | 127.1 | 110.9 | -96.3 | 154.6 | -177.6 | -179.8 | 0 | 110.1 | |||||
| 1661 | H | 27.7 | Very low | 27.5 | Very low | 146 Ų | 146 | 113.9 Ų | 113.9 | 68% | 0.676 | 66% | 0.655 | S | S | * | * | 77.9 | 131.4 | 70 | -107.9 | -78 | 0 | 0 | 0 | 113.9 | |||||
| 1662 | L | 27.4 | Very low | 27.8 | Very low | 136 Ų | 136 | 114.7 Ų | 114.7 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | trans | 72.3 | 148.3 | 155.7 | -55.7 | 168.1 | 0 | 0 | 0 | 115.3 | ||||
| 1663 | D | 28.8 | Very low | 27.9 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 63% | 0.631 | 71% | 0.706 | S | S | * | * | cis | -151.9 | 164.9 | 6.2 | -124.7 | -19.9 | 0 | 0 | 0 | 113.7 | ||||
| 1664 | L | 26.3 | Very low | 28 | Very low | 127 Ų | 127 | 119.2 Ų | 119.2 | 67% | 0.665 | 70% | 0.703 | S | S | * | * | trans | 36.8 | 127.1 | 147.8 | -59.7 | 164.5 | 0 | 0 | 0 | 120.2 | ||||
| 1665 | I | 25.4 | Very low | 28.1 | Very low | 144 Ų | 144 | 121.1 Ų | 121.1 | 74% | 0.738 | 71% | 0.705 | S | S | * | * | 60.1 | 137.2 | 65.1 | -61.9 | -178.8 | 0 | 0 | 0 | 112.1 | |||||
| 1666 | P | 29.9 | Very low | 28.5 | Very low | 120 Ų | 120 | 121.6 Ų | 121.6 | 78% | 0.779 | 69% | 0.694 | S | S | * | * | cis | -114.4 | -144.4 | 1.7 | 25.7 | 0.2 | 0 | 0 | 0 | 109.1 | ||||
| 1667 | S | 25.4 | Very low | 28.9 | Very low | 92 Ų | 92 | 117.5 Ų | 117.5 | 64% | 0.643 | 67% | 0.667 | S | S | * | * | cis | -164.2 | 143.4 | 12 | 61.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 1668 | S | 25.6 | Very low | 29.4 | Very low | 90 Ų | 90 | 117 Ų | 117 | 63% | 0.629 | 65% | 0.653 | S | S | * | * | trans | 45.5 | 135.3 | 131.5 | 73.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1669 | N | 25 | Very low | 29.5 | Very low | 153 Ų | 153 | 117.3 Ų | 117.3 | 82% | 0.818 | 65% | 0.645 | S | S | * | * | cis | 166.2 | 168.8 | 23.6 | -109.2 | 0.9 | 0 | 0 | 0 | 104.3 | ||||
| 1670 | S | 28.2 | Very low | 29.5 | Very low | 76 Ų | 76 | 115.2 Ų | 115.2 | 53% | 0.531 | 63% | 0.632 | S | S | . | * | cis | -174.3 | 153.5 | -7.8 | 45.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1671 | N | 26.9 | Very low | 29.1 | Very low | 158 Ų | 158 | 114.9 Ų | 114.9 | 85% | 0.845 | 63% | 0.626 | S | S | * | * | trans | 67.2 | 153.8 | 160.5 | -48.5 | -26.1 | 0 | 0 | 0 | 115.3 | ||||
| 1672 | G | 31.3 | Very low | 28.8 | Very low | 56 Ų | 56 | 116.3 Ų | 116.3 | 58% | 0.577 | 63% | 0.626 | S | S | * | * | cis | -137.9 | 158.4 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1673 | T | 31.5 | Very low | 28.5 | Very low | 133 Ų | 133 | 121.1 Ų | 121.1 | 82% | 0.816 | 64% | 0.635 | S | S | * | * | 52.1 | 130.7 | 78.9 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1674 | S | 30 | Very low | 28.3 | Very low | 57 Ų | 57 | 125.6 Ų | 125.6 | 40% | 0.399 | 64% | 0.643 | S | S | . | * | cis | -168.5 | -173 | -7.6 | 55.2 | 0 | 0 | 0 | 0 | 105.1 | ||||
| 1675 | E | 29.5 | Very low | 28.1 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 66% | 0.659 | 65% | 0.648 | S | S | * | * | cis | -153 | -177.1 | 8.5 | -155 | 120.5 | -170.5 | 0 | 0 | 111 | S1677 | E1675-S1677 PolarHBondContact O-N 3.16Š| ||
| 1676 | H | 37.9 | Very low | 28.2 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 59% | 0.588 | 63% | 0.626 | S | S | * | * | trans | -33 | 139.5 | 154 | -62.7 | 1.8 | 0 | 0 | 0 | 111.7 | H1678 | H1676-H1678 AromaticContact CD2-CE1 3.11Å; H1676-H1678 PolarHBondContact CD2-CE1 2.78Å; H1676-H1678 AromaticContact CD2-ND1 3.21Å; H1676-H1678 PolarHBondContact CD2-ND1 2.87Å; H1676-H1678 AromaticContact CE1-ND1 3.81Å; H1676-H1678 AromaticContact CG-CE1 3.97Å; H1676-H1678 AromaticContact CG-ND1 3.63Å; H1676-H1678 AromaticContact ND1-ND1 3.98Å; H1676-H1678 AromaticContact NE2-CE1 3.21Å; H1676-H1678 PolarHBondContact NE2-CE1 2.89Å; H1676-H1678 AromaticContact NE2-ND1 3.31Å; H1676-H1678 PolarHBondContact NE2-ND1 3.34Å | ||
| 1677 | S | 36.2 | Very low | 27.9 | Very low | 37 Ų | 37 | 126.5 Ų | 126.5 | 26% | 0.259 | 62% | 0.618 | S | S | . | * | -125.9 | 144.2 | 86.7 | 49 | 0 | 0 | 0 | 0 | 109.4 | L1515 A1516 V1517 E1675 | L1515-S1677 VanDerWaalsContact CB-CB 3.49Å; L1515-S1677 VanDerWaalsContact CD2-CB 3.48Å; A1516-S1677 CarbonylContact C-O 3.36Å; A1516-S1677 VanDerWaalsContact CB-OG 3.23Å; A1516-S1677 WeakPolarHBondContact CB-OG 3.43Å; A1516-S1677 PolarHBondContact N-O 3.42Å; A1516-S1677 PolarHBondContact N-OG 3.48Å; V1517-S1677 WeakPolarHBondContact CG2-O 3.47Å; V1517-S1677 PolarHBondContact N-O 3.32Å; E1675-S1677 PolarHBondContact O-N 3.16Å | |||
| 1678 | H | 39.4 | Very low | 27.8 | Very low | 92 Ų | 92 | 127.8 Ų | 127.8 | 43% | 0.426 | 61% | 0.613 | S | S | . | * | trans | -122.4 | 110.2 | -177.5 | 47.3 | -138.8 | 0 | 0 | 0 | 113.5 | A1516 H1676 H1680 | A1516-H1678 CarbonylContact O-C 3.59Å; A1516-H1678 WeakPolarHBondContact O-CA 3.25Å; H1676-H1678 AromaticContact CD2-CE1 3.11Å; H1676-H1678 PolarHBondContact CD2-CE1 2.78Å; H1676-H1678 AromaticContact CD2-ND1 3.21Å; H1676-H1678 PolarHBondContact CD2-ND1 2.87Å; H1676-H1678 AromaticContact CE1-ND1 3.81Å; H1676-H1678 AromaticContact CG-CE1 3.97Å; H1676-H1678 AromaticContact CG-ND1 3.63Å; H1676-H1678 AromaticContact ND1-ND1 3.98Å; H1676-H1678 AromaticContact NE2-CE1 3.21Å; H1676-H1678 PolarHBondContact NE2-CE1 2.89Å; H1676-H1678 AromaticContact NE2-ND1 3.31Å; H1676-H1678 PolarHBondContact NE2-ND1 3.34Å; H1678-H1680 AromaticContact CD2-CE1 3.99Å; H1678-H1680 PolarHBondContact O-N 3.3Å | ||
| 1679 | H | 29.6 | Very low | 28.9 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 59% | 0.593 | 61% | 0.613 | S | S | * | * | trans | -63.1 | 127.7 | -173.7 | -154.9 | -72.6 | 0 | 0 | 0 | 112.4 | H1514 L1515 A1516 Y1681 | H1514-H1679 WeakPolarHBondContact O-CA 3.38Å; L1515-H1679 WeakPolarHBondContact O-CA 3.38Å; L1515-H1679 WeakPolarHBondContact O-CB 3.37Å; L1515-H1679 PolarHBondContact O-CD2 3.1Å; L1515-H1679 PolarHBondContact O-N 3.26Å; A1516-H1679 PolarHBondContact O-N 2.89Å; H1679-Y1681 PolarHBondContact O-N 2.84Å | ||
| 1680 | H | 25.8 | Very low | 30.1 | Very low | 97 Ų | 97 | 129.1 Ų | 129.1 | 45% | 0.449 | 60% | 0.6 | S | S | . | * | trans | -70.1 | 130.3 | 177.8 | -60.8 | -29.5 | 0 | 0 | 0 | 111.7 | H1514 H1678 | H1514-H1680 PolarHBondContact O-N 3.2Å; H1678-H1680 AromaticContact CD2-CE1 3.99Å; H1678-H1680 PolarHBondContact O-N 3.3Å | ||
| 1681 | Y | 22.6 | Very low | 30.1 | Very low | 184 Ų | 184 | 130.1 Ų | 130.1 | 72% | 0.722 | 59% | 0.592 | S | S | * | * | -148.2 | 160.7 | 102.2 | -125.8 | -97.3 | 0 | 0 | 0 | 112.4 | H1679 | H1679-Y1681 PolarHBondContact O-N 2.84Š| |||
| 1682 | R | 23.1 | Very low | 30.4 | Very low | 177 Ų | 177 | 127.7 Ų | 127.7 | 67% | 0.668 | 58% | 0.582 | S | S | * | * | trans | -42.8 | 133.9 | -168.4 | -58.1 | 165 | 179.5 | 159.4 | 0.9 | 113.3 | ||||
| 1683 | R | 20.8 | Very low | 30.2 | Very low | 237 Ų | 237 | 130.3 Ų | 130.3 | 89% | 0.894 | 58% | 0.583 | S | S | * | * | 50 | 150.5 | 65.1 | -83.1 | -171.8 | 171.7 | -178.2 | -1 | 114.1 | |||||
| 1684 | R | 23.7 | Very low | 30 | Very low | 211 Ų | 211 | 130.4 Ų | 130.4 | 80% | 0.796 | 57% | 0.574 | S | S | * | * | trans | 80.3 | 90.2 | -179.7 | -51.2 | 171.3 | 179.8 | -176.2 | -2.5 | 111.1 | ||||
| 1685 | R | 22.1 | Very low | 29.8 | Very low | 208 Ų | 208 | 134.9 Ų | 134.9 | 79% | 0.785 | 59% | 0.587 | S | S | * | * | 75.5 | -178.4 | 74.3 | -73.1 | -179.3 | 164.4 | -179.4 | -5 | 111.6 | |||||
| 1686 | R | 27 | Very low | 29.5 | Very low | 69 Ų | 69 | 136.3 Ų | 136.3 | 26% | 0.26 | 59% | 0.591 | S | S | . | * | trans | -37.8 | 147.6 | 139.3 | -70.7 | 176.5 | -160.2 | 167.6 | 2.2 | 106.6 | Y1690 R1691 | R1686-Y1690 VanDerWaalsContact CD-CE2 3.44Å; R1686-Y1690 HydrophobicContact CG-CD2 3.68Å; R1686-Y1690 HydrophobicContact CG-CE2 4.12Å; R1686-Y1690 VanDerWaalsContact NH2-CZ 3.35Å; R1686-R1691 HydrophobicContact CB-CB 4.3Å; R1686-R1691 HydrophobicContact CG-CB 3.44Å; R1686-R1691 VanDerWaalsContact CG-CB 3.44Å; R1686-R1691 HydrophobicContact CG-CG 3.99Å; R1686-R1691 VanDerWaalsContact CG-NE 3.28Å | ||
| 1687 | H | 24.6 | Very low | 28.9 | Very low | 134 Ų | 134 | 139.9 Ų | 139.9 | 62% | 0.62 | 60% | 0.601 | S | S | * | * | S | Bend | -155.5 | 129.1 | 55.7 | -70.2 | -86.8 | 0 | 0 | 0 | 107.6 | R1691 | H1687-R1691 PolarHBondContact NE2-NH2 3.4Š| |
| 1688 | H | 23.1 | Very low | 28.3 | Very low | 118 Ų | 118 | 144 Ų | 144 | 55% | 0.546 | 62% | 0.619 | S | S | . | * | S | Bend | cis | -153 | 136.9 | 3.2 | -113.2 | -77.8 | 0 | 0 | 0 | 108.4 | Y1690 | H1688-Y1690 AromaticContact CE1-CE2 3.98Å; H1688-Y1690 AromaticContact ND1-CE2 3.96Å |
| 1689 | H | 48.5 | Very low | 27.7 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 61% | 0.611 | 63% | 0.63 | S | S | * | * | S | Bend | cis | -126.7 | 165.8 | 0.2 | -69.9 | -126 | 0 | 0 | 0 | 108.8 | ||
| 1690 | Y | 50.5 | Low | 27.5 | Very low | 139 Ų | 139 | 143.1 Ų | 143.1 | 55% | 0.545 | 63% | 0.628 | S | S | . | * | cis | -153.1 | 129.4 | -17.8 | -103.9 | -162.4 | 0 | 0 | 0 | 101 | R1686 H1688 | R1686-Y1690 VanDerWaalsContact CD-CE2 3.44Å; R1686-Y1690 HydrophobicContact CG-CD2 3.68Å; R1686-Y1690 HydrophobicContact CG-CE2 4.12Å; R1686-Y1690 VanDerWaalsContact NH2-CZ 3.35Å; H1688-Y1690 AromaticContact CE1-CE2 3.98Å; H1688-Y1690 AromaticContact ND1-CE2 3.96Å | ||
| 1691 | R | 27.1 | Very low | 27.6 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 37% | 0.366 | 65% | 0.647 | S | S | . | * | 62 | 130.4 | 54.6 | -155.6 | -142.3 | -89.6 | -169.7 | 2.5 | 114.7 | R1686 H1687 | R1686-R1691 HydrophobicContact CB-CB 4.3Å; R1686-R1691 HydrophobicContact CG-CB 3.44Å; R1686-R1691 VanDerWaalsContact CG-CB 3.44Å; R1686-R1691 HydrophobicContact CG-CG 3.99Å; R1686-R1691 VanDerWaalsContact CG-NE 3.28Å; H1687-R1691 PolarHBondContact NE2-NH2 3.4Å | |||
| 1692 | V | 33.2 | Very low | 27.7 | Very low | 107 Ų | 107 | 142.3 Ų | 142.3 | 65% | 0.648 | 64% | 0.635 | S | S | * | * | trans | 91.9 | 134.7 | 171.1 | -174.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1693 | N | 28.5 | Very low | 27.9 | Very low | 111 Ų | 111 | 139 Ų | 139 | 59% | 0.594 | 64% | 0.638 | S | S | * | * | cis | -167.3 | 156.5 | -28.4 | -104.7 | 13.6 | 0 | 0 | 0 | 107.3 | ||||
| 1694 | E | 26.4 | Very low | 28.1 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | trans | 61.5 | 163.2 | 150.1 | -69.7 | 159.5 | -121.6 | 0 | 0 | 117.9 | ||||
| 1695 | K | 25.7 | Very low | 28.1 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 66% | 0.657 | 62% | 0.623 | S | S | * | * | cis | -144.6 | 157.2 | -10.1 | -115.7 | 151.4 | -176.4 | 156.2 | 0 | 107.1 | ||||
| 1696 | F | 23 | Very low | 28.3 | Very low | 171 Ų | 171 | 128.3 Ų | 128.3 | 75% | 0.75 | 62% | 0.623 | S | S | * | * | 26 | 132.1 | 107.2 | -58 | -100.8 | 0 | 0 | 0 | 114.3 | |||||
| 1697 | Y | 25.4 | Very low | 28.2 | Very low | 202 Ų | 202 | 132.6 Ų | 132.6 | 79% | 0.792 | 65% | 0.651 | S | S | * | * | cis | -131.7 | 167.2 | 40.3 | -84.5 | -108.5 | 0 | 0 | 0 | 110.6 | ||||
| 1698 | L | 25 | Very low | 28.3 | Very low | 122 Ų | 122 | 131.7 Ų | 131.7 | 64% | 0.639 | 65% | 0.65 | S | S | * | * | 57.6 | 148.1 | 51.3 | -57.8 | 163.2 | 0 | 0 | 0 | 111.1 | |||||
| 1699 | N | 26.4 | Very low | 28.3 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 66% | 0.663 | 64% | 0.639 | S | S | * | * | cis | -156.1 | 140.5 | 4.4 | -126.2 | -5.7 | 0 | 0 | 0 | 107.9 | ||||
| 1700 | S | 25.7 | Very low | 27.2 | Very low | 78 Ų | 78 | 127 Ų | 127 | 55% | 0.545 | 64% | 0.639 | S | S | . | * | 60.9 | 142.7 | 98.3 | 88.6 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1701 | K | 27.5 | Very low | 26.2 | Very low | 193 Ų | 193 | 124.1 Ų | 124.1 | 84% | 0.839 | 64% | 0.638 | S | S | * | * | trans | 79.5 | 119.4 | 170.7 | -54.8 | 176.6 | -176.2 | -176.3 | 0 | 113.6 | ||||
| 1702 | C | 25.1 | Very low | 26.4 | Very low | 71 Ų | 71 | 122.4 Ų | 122.4 | 48% | 0.48 | 63% | 0.634 | S | S | . | * | cis | 72.2 | 142.2 | 28.5 | -153.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1703 | C | 25.8 | Very low | 26.1 | Very low | 109 Ų | 109 | 119.9 Ų | 119.9 | 74% | 0.736 | 61% | 0.614 | S | S | * | * | trans | 68.1 | 149 | 179.2 | -59.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1704 | Y | 24.8 | Very low | 26 | Very low | 196 Ų | 196 | 116.4 Ų | 116.4 | 77% | 0.769 | 59% | 0.593 | S | S | * | * | cis | -167.1 | 140.4 | -33.6 | -133.6 | -88.4 | 0 | 0 | 0 | 107 | ||||
| 1705 | S | 25.2 | Very low | 26.1 | Very low | 85 Ų | 85 | 112.7 Ų | 112.7 | 59% | 0.594 | 58% | 0.577 | S | S | * | * | trans | 46.7 | 144 | 153.1 | 60.5 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1706 | N | 24.8 | Very low | 26.1 | Very low | 149 Ų | 149 | 108.1 Ų | 108.1 | 80% | 0.797 | 56% | 0.564 | S | S | * | * | trans | 92.7 | 106 | 147.4 | -60.1 | -18.6 | 0 | 0 | 0 | 121.5 | ||||
| 1707 | L | 26.9 | Very low | 26.3 | Very low | 160 Ų | 160 | 104.2 Ų | 104.2 | 84% | 0.838 | 55% | 0.551 | S | S | * | * | 78.8 | 82.3 | 108.9 | -144.9 | 75.6 | 0 | 0 | 0 | 121.7 | |||||
| 1708 | D | 25.2 | Very low | 26.4 | Very low | 115 Ų | 115 | 104.7 Ų | 104.7 | 62% | 0.615 | 55% | 0.553 | S | S | * | * | 78.7 | 148 | 121 | -153.5 | 25.8 | 0 | 0 | 0 | 123.4 | |||||
| 1709 | Q | 24.1 | Very low | 26.4 | Very low | 66 Ų | 66 | 103.4 Ų | 103.4 | 31% | 0.308 | 55% | 0.554 | S | S | . | * | trans | 40 | 96.2 | 157.8 | -87.5 | 172.3 | 72.6 | 0 | 0 | 121.7 | T399 | T399-Q1709 PolarHBondContact OG1-OE1 2.73Š| ||
| 1710 | S | 25.1 | Very low | 26.3 | Very low | 86 Ų | 86 | 102.1 Ų | 102.1 | 60% | 0.601 | 55% | 0.554 | S | S | * | * | -165.5 | 162.2 | 120.4 | 58.7 | 0 | 0 | 0 | 0 | 114.5 | P398 | P398-S1710 WeakPolarHBondContact O-CA 3.35Å; P398-S1710 WeakPolarHBondContact O-CB 3.4Å | |||
| 1711 | S | 29 | Very low | 26.3 | Very low | 77 Ų | 77 | 103.3 Ų | 103.3 | 54% | 0.538 | 56% | 0.563 | S | S | . | * | trans | 67.4 | 63.7 | 157.9 | -51.9 | 0 | 0 | 0 | 0 | 120.5 | V400 | V400-S1711 PolarHBondContact O-N 3.3Š| ||
| 1712 | K | 31.9 | Very low | 26.1 | Very low | 61 Ų | 61 | 98.9 Ų | 98.9 | 27% | 0.265 | 56% | 0.556 | S | S | . | * | trans | -68.4 | -169.2 | 138.7 | -166.3 | 178.5 | -178.1 | -169.9 | 0 | 109.2 | V400 R401 Y402 T1338 A1339 | V400-K1712 WeakPolarHBondContact O-CA 3.42Å; V400-K1712 WeakPolarHBondContact O-CB 3.4Å; V400-K1712 PolarHBondContact O-N 2.69Å; R401-K1712 CarbonylContact O-C 3.59Å; Y402-K1712 HydrophobicContact CD2-CG 4.39Å; Y402-K1712 WeakPolarHBondContact O-CD 3.49Å; Y402-K1712 PolarHBondContact O-NZ 3.28Å; T1338-K1712 WeakPolarHBondContact O-CD 3.42Å; T1338-K1712 WeakPolarHBondContact O-CE 3.33Å; T1338-K1712 WeakPolarHBondContact O-CG 3.5Å; A1339-K1712 HydrophobicContact CB-CD 4.27Å; A1339-K1712 WeakPolarHBondContact O-CD 3.23Å; A1339-K1712 VanDerWaalsContact O-CE 3.25Å; A1339-K1712 WeakPolarHBondContact O-CE 3.46Å; A1339-K1712 PolarHBondContact O-NZ 2.93Å | ||
| 1713 | K | 27.4 | Very low | 26 | Very low | 54 Ų | 54 | 100.6 Ų | 100.6 | 24% | 0.235 | 57% | 0.565 | C | S | . | * | trans | 72.1 | 125.6 | -173.1 | -100.1 | 173.7 | -166.7 | 177 | 0 | 111.5 | R401 Y402 | R401-K1713 HydrophobicContact CB-CD 4.23Å; R401-K1713 WeakPolarHBondContact O-CB 3.31Å; R401-K1713 WeakPolarHBondContact O-CD 3.28Å; R401-K1713 WeakPolarHBondContact O-CG 3.46Å; R401-K1713 PolarHBondContact O-N 3.07Å; Y402-K1713 HydrophobicContact CD1-CD 4.46Å; Y402-K1713 HydrophobicContact CD1-CG 3.65Å; Y402-K1713 HydrophobicContact CD2-CG 4.01Å; Y402-K1713 HydrophobicContact CE1-CG 3.97Å; Y402-K1713 HydrophobicContact CE2-CG 4.28Å; Y402-K1713 HydrophobicContact CG-CG 3.71Å | ||
| 1714 | R | 26.1 | Very low | 25.8 | Very low | 39 Ų | 39 | 104 Ų | 104 | 15% | 0.147 | 57% | 0.57 | C | S | . | * | cis | -153.2 | -180 | 23.3 | -49.1 | -178.4 | 58.5 | 56.5 | -4.4 | 113.9 | Y402 S1189 T1190 P1652 V1653 | Y402-R1714 HydrophobicContact CE2-CB 4.47Å; S1189-R1714 VanDerWaalsContact CB-NH2 3.26Å; S1189-R1714 PolarHBondContact OG-NE 2.89Å; S1189-R1714 PolarHBondContact OG-NH2 3.36Å; T1190-R1714 PolarHBondContact OG1-NH2 3.34Å; P1652-R1714 VanDerWaalsContact CG-NH2 3.31Å; V1653-R1714 WeakPolarHBondContact O-CD 3.26Å; V1653-R1714 VanDerWaalsContact O-CZ 3.27Å; V1653-R1714 PolarHBondContact O-NH1 3.07Å | ||
| 1715 | L | 28.7 | Very low | 25.7 | Very low | 57 Ų | 57 | 101.7 Ų | 101.7 | 30% | 0.298 | 57% | 0.569 | S | S | . | * | trans | 75.8 | 127.4 | 154.4 | -29.6 | 106.5 | 0 | 0 | 0 | 116.2 | Y402 I1187 L1188 S1189 | Y402-L1715 WeakPolarHBondContact OH-CA 3.43Å; Y402-L1715 PolarHBondContact OH-N 2.86Å; I1187-L1715 WeakPolarHBondContact CA-O 3.46Å; I1187-L1715 HydrophobicContact CB-CB 4.11Å; I1187-L1715 HydrophobicContact CG2-CB 3.59Å; I1187-L1715 HydrophobicContact CG2-CD1 3.54Å; I1187-L1715 HydrophobicContact CG2-CG 4.12Å; I1187-L1715 WeakPolarHBondContact O-CB 3.1Å; L1188-L1715 VanDerWaalsContact CA-CB 3.5Å; L1188-L1715 HydrophobicContact CD1-CD2 3.98Å; L1188-L1715 HydrophobicContact CG-CD2 4.23Å; L1188-L1715 VanDerWaalsContact N-CB 3.31Å; S1189-L1715 VanDerWaalsContact OG-CD2 3.28Å; S1189-L1715 WeakPolarHBondContact OG-CD2 3.45Å | ||
| 1716 | S | 25.8 | Very low | 25.7 | Very low | 55 Ų | 55 | 102.9 Ų | 102.9 | 39% | 0.385 | 57% | 0.568 | S | S | . | * | B | Isolated β-bridge | cis | 99.4 | -178.5 | -5 | 81.1 | 0 | 0 | 0 | 0 | 122.1 | Y402 I1187 L1188 S1189 | Y402-S1716 PolarHBondContact OH-OG 2.71Å; I1187-S1716 PolarHBondContact N-O 2.7Å; L1188-S1716 PolarHBondContact N-O 3.42Å; L1188-S1716 CarbonylContact O-C 3.54Å; L1188-S1716 WeakPolarHBondContact O-CA 3.27Å; L1188-S1716 WeakPolarHBondContact O-CB 3.4Å; L1188-S1716 PolarHBondContact O-OG 2.88Å; S1189-S1716 VanDerWaalsContact CA-OG 3.27Å; S1189-S1716 WeakPolarHBondContact CA-OG 3.3Å; S1189-S1716 WeakPolarHBondContact CB-OG 3.48Å |
| 1717 | N | 25.6 | Very low | 25.9 | Very low | 90 Ų | 90 | 100.5 Ų | 100.5 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | trans | 67 | 144.3 | 175.8 | -71.4 | 21.6 | 0 | 0 | 0 | 121.1 | L1188 | L1188-N1717 HydrophobicContact CB-CB 4.35Å; L1188-N1717 VanDerWaalsContact O-CB 3.24Å; L1188-N1717 WeakPolarHBondContact O-CB 3.48Å; L1188-N1717 PolarHBondContact O-N 3.3Å; L1188-N1717 VanDerWaalsContact O-N 3.09Å; L1188-N1717 PolarHBondContact O-OD1 2.82Å | ||
| 1718 | Y | 28.8 | Very low | 25.6 | Very low | 212 Ų | 212 | 96 Ų | 96 | 83% | 0.831 | 54% | 0.539 | S | S | * | . | trans | 60.8 | 112.9 | -174.9 | -63 | -81.7 | 0 | 0 | 0 | 115 | ||||
| 1719 | S | 24.5 | Very low | 25.6 | Very low | 94 Ų | 94 | 98 Ų | 98 | 66% | 0.657 | 54% | 0.539 | S | S | * | . | cis | 107.8 | 156 | 13.4 | 84.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1720 | S | 25.3 | Very low | 25.5 | Very low | 97 Ų | 97 | 100.4 Ų | 100.4 | 68% | 0.678 | 55% | 0.55 | S | S | * | * | trans | 73.7 | 130 | 163.9 | 22.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1721 | S | 23.9 | Very low | 25.6 | Very low | 104 Ų | 104 | 102.9 Ų | 102.9 | 73% | 0.727 | 55% | 0.552 | S | S | * | * | trans | 60.7 | 141 | 142.8 | 59.3 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1722 | S | 24 | Very low | 25.5 | Very low | 100 Ų | 100 | 106.3 Ų | 106.3 | 70% | 0.699 | 56% | 0.564 | S | S | * | * | trans | 66.7 | 125.7 | 141.2 | -69.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1723 | T | 22.9 | Very low | 25.3 | Very low | 107 Ų | 107 | 109.5 Ų | 109.5 | 66% | 0.656 | 58% | 0.583 | S | S | * | * | 58.8 | 104.6 | 65.4 | 69.6 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 1724 | E | 23.1 | Very low | 25.3 | Very low | 180 Ų | 180 | 111.5 Ų | 111.5 | 84% | 0.841 | 60% | 0.603 | S | S | * | * | trans | 66.9 | -177.7 | 158.1 | -53.8 | -179.3 | 135.3 | 0 | 0 | 116.4 | ||||
| 1725 | I | 21.7 | Very low | 25.4 | Very low | 148 Ų | 148 | 118.3 Ų | 118.3 | 76% | 0.759 | 63% | 0.634 | S | S | * | * | trans | 49.3 | 112 | 168.7 | 38.2 | 177.9 | 0 | 0 | 0 | 116.6 | ||||
| 1726 | L | 24.6 | Very low | 25.4 | Very low | 110 Ų | 110 | 124.2 Ų | 124.2 | 58% | 0.576 | 65% | 0.653 | S | S | * | * | cis | -145.7 | 154.6 | 19.9 | -71.3 | 146.4 | 0 | 0 | 0 | 108.5 | N1728 | L1726-N1728 HydrophobicContact CB-CB 4.3Š| ||
| 1727 | C | 28.5 | Very low | 25.4 | Very low | 99 Ų | 99 | 128.7 Ų | 128.7 | 67% | 0.669 | 67% | 0.668 | S | S | * | * | cis | 67.2 | 63.1 | 7.6 | -150.1 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1728 | N | 21.3 | Very low | 25.4 | Very low | 65 Ų | 65 | 129 Ų | 129 | 35% | 0.348 | 68% | 0.678 | S | S | . | * | trans | -144.8 | 122.6 | 172.2 | -115.6 | -25.1 | 0 | 0 | 0 | 112.3 | V1179 L1726 | V1179-N1728 CarbonylContact C-O 3.46Å; V1179-N1728 WeakPolarHBondContact CA-O 3.43Å; V1179-N1728 WeakPolarHBondContact CB-O 3.46Å; V1179-N1728 WeakPolarHBondContact CG1-O 3.19Å; V1179-N1728 PolarHBondContact N-O 3.24Å; V1179-N1728 CarbonylContact O-C 3.5Å; V1179-N1728 PolarHBondContact O-N 3.21Å; V1179-N1728 VanDerWaalsContact O-N 3.08Å; L1726-N1728 HydrophobicContact CB-CB 4.3Å | ||
| 1729 | Y | 25.2 | Very low | 25.3 | Very low | 158 Ų | 158 | 124.7 Ų | 124.7 | 62% | 0.62 | 67% | 0.669 | S | S | * | * | trans | 79 | 60.9 | -171.5 | -51.5 | -74.5 | 0 | 0 | 0 | 116.6 | T1178 V1179 | T1178-Y1729 CarbonylContact C-O 3.48Å; V1179-Y1729 VanDerWaalsContact CB-O 3.27Å; V1179-Y1729 WeakPolarHBondContact CB-O 3.33Å; V1179-Y1729 HydrophobicContact CG1-CD2 4.41Å; V1179-Y1729 WeakPolarHBondContact CG2-O 3.45Å; V1179-Y1729 PolarHBondContact N-O 2.78Å | ||
| 1730 | Q | 22.7 | Very low | 25.2 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 54% | 0.537 | 67% | 0.668 | S | S | . | * | cis | 48.6 | 131.3 | 40.3 | -162.4 | -177.4 | 14.8 | 0 | 0 | 113.4 | T1178 | T1178-Q1730 PolarHBondContact O-N 2.92Š| ||
| 1731 | H | 26.5 | Very low | 25.1 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 64% | 0.639 | 67% | 0.665 | S | S | * | * | trans | 45.1 | 94.4 | 164.2 | -78.9 | -130.8 | 0 | 0 | 0 | 116.9 | ||||
| 1732 | N | 26.9 | Very low | 24.9 | Very low | 149 Ų | 149 | 127.7 Ų | 127.7 | 80% | 0.797 | 66% | 0.661 | S | S | * | * | -114.6 | 95.2 | 121.9 | -90.5 | -67.7 | 0 | 0 | 0 | 110.1 | |||||
| 1733 | L | 27.9 | Very low | 24.8 | Very low | 128 Ų | 128 | 128 Ų | 128 | 67% | 0.67 | 66% | 0.658 | S | S | * | * | trans | 59.3 | 98.9 | 131.4 | -61.2 | 169.1 | 0 | 0 | 0 | 115.1 | ||||
| 1734 | C | 27.7 | Very low | 24.8 | Very low | 96 Ų | 96 | 129.1 Ų | 129.1 | 65% | 0.649 | 66% | 0.659 | S | S | * | * | cis | 45.2 | 63.9 | 45.4 | -158.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1735 | K | 27.9 | Very low | 24.8 | Very low | 183 Ų | 183 | 126.1 Ų | 126.1 | 80% | 0.796 | 65% | 0.648 | S | S | * | * | trans | -89.2 | 117.7 | 141.6 | -92.2 | -173.5 | 176.5 | -176.2 | 0 | 106.5 | ||||
| 1736 | Y | 28.3 | Very low | 24.9 | Very low | 180 Ų | 180 | 125.4 Ų | 125.4 | 71% | 0.706 | 65% | 0.646 | S | S | * | * | 70.4 | 124.4 | 95.8 | -81.9 | -137.9 | 0 | 0 | 0 | 111.6 | |||||
| 1737 | Q | 25.4 | Very low | 24.8 | Very low | 150 Ų | 150 | 125.8 Ų | 125.8 | 70% | 0.701 | 65% | 0.649 | S | S | * | * | cis | -159.7 | 152.7 | -6 | -141.3 | 164.3 | -5.7 | 0 | 0 | 110 | N1739 | Q1737-N1739 PolarHBondContact O-N 3Š| ||
| 1738 | S | 27.2 | Very low | 24.8 | Very low | 97 Ų | 97 | 128.4 Ų | 128.4 | 68% | 0.678 | 65% | 0.651 | S | S | * | * | trans | -63 | 116.5 | 150.7 | 53.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1739 | N | 25.4 | Very low | 25.1 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 64% | 0.642 | 67% | 0.665 | S | S | * | * | 172 | 158.4 | 118.6 | -102.4 | 44.9 | 0 | 0 | 0 | 111.7 | Q1737 | Q1737-N1739 PolarHBondContact O-N 3Š| |||
| 1740 | D | 23.6 | Very low | 25.3 | Very low | 120 Ų | 120 | 127.9 Ų | 127.9 | 64% | 0.642 | 67% | 0.666 | S | S | * | * | trans | 52.3 | 120.6 | 139.5 | -53.7 | -7.6 | 0 | 0 | 0 | 118.1 | ||||
| 1741 | N | 22.5 | Very low | 25.8 | Very low | 115 Ų | 115 | 128.8 Ų | 128.8 | 62% | 0.615 | 67% | 0.674 | S | S | * | * | cis | -156.9 | 171.9 | 14 | -103.8 | -23.3 | 0 | 0 | 0 | 109.6 | ||||
| 1742 | I | 20.7 | Very low | 26.4 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 64% | 0.636 | 68% | 0.679 | S | S | * | * | 30.8 | 117.2 | 92.3 | -25.8 | 166.4 | 0 | 0 | 0 | 110.4 | I1744 | I1742-I1744 HydrophobicContact CG2-CD1 3.91Å; I1742-I1744 HydrophobicContact CG2-CG1 3.98Å | |||
| 1743 | V | 21 | Very low | 27.2 | Very low | 106 Ų | 106 | 129 Ų | 129 | 64% | 0.642 | 68% | 0.68 | S | S | * | * | cis | -122.6 | 144.8 | 39.8 | -148.8 | 0 | 0 | 0 | 0 | 108.2 | D1745 | V1743-D1745 HydrophobicContact CG1-CB 4.45Å; V1743-D1745 WeakPolarHBondContact CG1-OD2 3.45Å | ||
| 1744 | I | 22.3 | Very low | 27.8 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 67% | 0.672 | 68% | 0.684 | S | S | * | * | 36.3 | 157.6 | 70.8 | -14.1 | 165 | 0 | 0 | 0 | 112.6 | I1742 | I1742-I1744 HydrophobicContact CG2-CD1 3.91Å; I1742-I1744 HydrophobicContact CG2-CG1 3.98Å | |||
| 1745 | D | 22.5 | Very low | 28.3 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 63% | 0.626 | 69% | 0.686 | S | S | * | * | trans | 67.7 | 120.7 | 169.8 | -35.7 | -23.8 | 0 | 0 | 0 | 114.5 | V1743 | V1743-D1745 HydrophobicContact CG1-CB 4.45Å; V1743-D1745 WeakPolarHBondContact CG1-OD2 3.45Å | ||
| 1746 | D | 24.2 | Very low | 28.7 | Very low | 133 Ų | 133 | 129.5 Ų | 129.5 | 71% | 0.711 | 68% | 0.683 | S | S | * | * | cis | -158.9 | -174.2 | -7.5 | -116.3 | -19.5 | 0 | 0 | 0 | 110.8 | ||||
| 1747 | D | 24.1 | Very low | 28.8 | Very low | 117 Ų | 117 | 126.1 Ų | 126.1 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | trans | -30.5 | 165.8 | 157.1 | -52.1 | -48.7 | 0 | 0 | 0 | 117.1 | ||||
| 1748 | H | 28.2 | Very low | 29 | Very low | 155 Ų | 155 | 128.4 Ų | 128.4 | 72% | 0.718 | 68% | 0.679 | S | S | * | * | trans | 74.8 | 139.2 | 155.3 | -56.2 | -50.4 | 0 | 0 | 0 | 118.2 | ||||
| 1749 | D | 26.4 | Very low | 29.2 | Very low | 121 Ų | 121 | 128.8 Ų | 128.8 | 65% | 0.647 | 67% | 0.673 | S | S | * | * | cis | -167.9 | -157.9 | -13 | -104.6 | -9.4 | 0 | 0 | 0 | 104.5 | ||||
| 1750 | S | 29.6 | Very low | 29.5 | Very low | 90 Ų | 90 | 129.6 Ų | 129.6 | 63% | 0.629 | 67% | 0.671 | S | S | * | * | trans | 65.8 | 133.5 | 131.4 | 58.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1751 | D | 33.8 | Very low | 29.8 | Very low | 134 Ų | 134 | 127.4 Ų | 127.4 | 72% | 0.717 | 67% | 0.666 | S | S | * | * | cis | -148.8 | 121.2 | -9.7 | -76.3 | -35 | 0 | 0 | 0 | 103.5 | ||||
| 1752 | D | 38 | Very low | 29.9 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 74% | 0.743 | 66% | 0.66 | S | S | * | * | 89 | 179 | 92.8 | -69.6 | -16.6 | 0 | 0 | 0 | 113 | |||||
| 1753 | D | 43.7 | Very low | 30.1 | Very low | 152 Ų | 152 | 126.2 Ų | 126.2 | 81% | 0.813 | 66% | 0.663 | S | S | * | * | trans | 65.6 | 117.7 | 172.3 | -58.1 | -8.4 | 0 | 0 | 0 | 119.9 | ||||
| 1754 | D | 41.8 | Very low | 30.1 | Very low | 143 Ų | 143 | 126.2 Ų | 126.2 | 77% | 0.765 | 66% | 0.664 | S | S | * | * | cis | -162.7 | 174.2 | -35.6 | -134.7 | -27.1 | 0 | 0 | 0 | 111.7 | ||||
| 1755 | D | 38 | Very low | 30.1 | Very low | 129 Ų | 129 | 125.3 Ų | 125.3 | 69% | 0.69 | 67% | 0.667 | S | S | * | * | trans | 69.7 | 116.4 | 157.8 | -81.5 | -33.9 | 0 | 0 | 0 | 122.6 | ||||
| 1756 | M | 35.1 | Very low | 30.1 | Very low | 146 Ų | 146 | 130.2 Ų | 130.2 | 72% | 0.719 | 68% | 0.679 | S | S | * | * | trans | 53.5 | 129.7 | 132.4 | -46.4 | -65.1 | -94.1 | 0 | 0 | 120.9 | ||||
| 1757 | D | 31.8 | Very low | 30 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 58% | 0.583 | 68% | 0.681 | S | S | * | * | cis | -147.7 | 121.4 | -2.2 | -113 | -41.5 | 0 | 0 | 0 | 110.8 | ||||
| 1758 | R | 29 | Very low | 29.9 | Very low | 198 Ų | 198 | 130.7 Ų | 130.7 | 75% | 0.747 | 68% | 0.683 | S | S | * | * | trans | 22.3 | 131.7 | 154.5 | -53.3 | 176.7 | -146 | -142.2 | -5.8 | 121.8 | ||||
| 1759 | D | 31 | Very low | 29.6 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 56% | 0.561 | 68% | 0.683 | S | S | * | * | cis | -152.5 | 166.5 | -10 | -95.4 | -41.3 | 0 | 0 | 0 | 111.5 | H451 | H451-D1759 VanDerWaalsContact CE1-CB 3.45Å; H451-D1759 WeakPolarHBondContact CE1-CB 3.39Å | ||
| 1760 | K | 32.9 | Very low | 29.4 | Very low | 138 Ų | 138 | 128.9 Ų | 128.9 | 60% | 0.6 | 68% | 0.682 | S | S | * | * | trans | -73.1 | -147.4 | -155.5 | -81.8 | 83.7 | -165.2 | -178.1 | 0 | 113.7 | H451 | H451-K1760 WeakPolarHBondContact CB-O 3.48Å; H451-K1760 PolarHBondContact CD2-O 3.04Å; H451-K1760 VanDerWaalsContact CG-C 3.41Å; H451-K1760 PolarHBondContact ND1-O 3.25Å; H451-K1760 PolarHBondContact NE2-N 2.87Å | ||
| 1761 | S | 28.5 | Very low | 29.1 | Very low | 74 Ų | 74 | 130.4 Ų | 130.4 | 52% | 0.517 | 68% | 0.682 | S | S | . | * | cis | 108.6 | 88.9 | -22.1 | 105.5 | 0 | 0 | 0 | 0 | 124 | V450 H451 | V450-S1761 VanDerWaalsContact CG1-C 3.44Å; V450-S1761 CarbonylContact O-C 2.94Å; V450-S1761 PolarHBondContact O-N 3.37Å; H451-S1761 PolarHBondContact CD2-N 2.67Å | ||
| 1762 | S | 26.4 | Very low | 28.7 | Very low | 72 Ų | 72 | 130.7 Ų | 130.7 | 50% | 0.503 | 68% | 0.684 | S | S | . | * | 99.7 | 153.3 | 130 | 83.4 | 0 | 0 | 0 | 0 | 124.6 | V450 | V450-S1762 PolarHBondContact O-N 2.73Š| |||
| 1763 | M | 24.3 | Very low | 28.1 | Very low | 142 Ų | 142 | 128 Ų | 128 | 70% | 0.7 | 68% | 0.676 | S | S | * | * | trans | 46.4 | 135.1 | 154.8 | -57.8 | -159.5 | 77 | 0 | 0 | 124.1 | ||||
| 1764 | T | 21 | Very low | 27.2 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 65% | 0.65 | 66% | 0.656 | S | S | * | * | 168.2 | 141.4 | 96.1 | 42.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1765 | C | 21.8 | Very low | 26.5 | Very low | 111 Ų | 111 | 125 Ų | 125 | 75% | 0.75 | 66% | 0.659 | S | S | * | * | trans | 54.6 | 166.6 | 146.1 | -68.5 | 0 | 0 | 0 | 0 | 124 | ||||
| 1766 | Y | 22.6 | Very low | 25.9 | Very low | 221 Ų | 221 | 121.6 Ų | 121.6 | 87% | 0.867 | 64% | 0.641 | S | S | * | * | trans | 70.1 | 130.2 | -170.7 | -67.6 | -98 | 0 | 0 | 0 | 114 | ||||
| 1767 | Q | 22.3 | Very low | 25.5 | Very low | 160 Ų | 160 | 121.4 Ų | 121.4 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | cis | 76.6 | 131.6 | 36.5 | -172.8 | 73 | 29.9 | 0 | 0 | 111.9 | ||||
| 1768 | C | 21.8 | Very low | 25.1 | Very low | 99 Ų | 99 | 119 Ų | 119 | 67% | 0.669 | 62% | 0.62 | S | S | * | * | trans | 68.3 | 149.6 | -175 | -63.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 1769 | L | 22.8 | Very low | 24.9 | Very low | 138 Ų | 138 | 111.3 Ų | 111.3 | 72% | 0.723 | 60% | 0.599 | S | S | * | * | cis | -176.9 | 162.6 | -23.2 | -114.6 | 170.5 | 0 | 0 | 0 | 104.9 | ||||
| 1770 | T | 22 | Very low | 24.7 | Very low | 101 Ų | 101 | 110.3 Ų | 110.3 | 62% | 0.62 | 60% | 0.597 | S | S | * | * | trans | 61.9 | 139.6 | 162.8 | 51.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1771 | D | 23.2 | Very low | 24.2 | Very low | 121 Ų | 121 | 108.9 Ų | 108.9 | 65% | 0.647 | 60% | 0.6 | S | S | * | * | 57.1 | 132 | 79.9 | -32.8 | -44.5 | 0 | 0 | 0 | 110.2 | |||||
| 1772 | D | 25.4 | Very low | 24.1 | Very low | 141 Ų | 141 | 113 Ų | 113 | 75% | 0.754 | 62% | 0.615 | S | S | * | * | cis | -156.9 | 142.6 | 45.2 | -89 | -57 | 0 | 0 | 0 | 110.9 | ||||
| 1773 | S | 24 | Very low | 24 | Very low | 81 Ų | 81 | 113.8 Ų | 113.8 | 57% | 0.566 | 62% | 0.621 | S | S | * | * | 82.4 | 131.1 | 99.2 | 87.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1774 | D | 25.9 | Very low | 24.2 | Very low | 76 Ų | 76 | 113.9 Ų | 113.9 | 41% | 0.406 | 62% | 0.624 | S | S | . | * | trans | 50.9 | 92.6 | 130.9 | -51.6 | -0.9 | 0 | 0 | 0 | 120.1 | D1234 I1235 | D1234-D1774 WeakPolarHBondContact CB-OD1 3.49Å; I1235-D1774 WeakPolarHBondContact CG1-OD1 3.3Å | ||
| 1775 | L | 27.7 | Very low | 24.7 | Very low | 158 Ų | 158 | 113.5 Ų | 113.5 | 83% | 0.827 | 62% | 0.624 | S | S | * | * | trans | -142.1 | 63.5 | 133.8 | -76.7 | -174.9 | 0 | 0 | 0 | 107.9 | Y1777 | L1775-Y1777 HydrophobicContact CD2-CD2 4.45Å; L1775-Y1777 HydrophobicContact CD2-CE2 4.45Å | ||
| 1776 | N | 24.8 | Very low | 24.9 | Very low | 56 Ų | 56 | 117.2 Ų | 117.2 | 30% | 0.299 | 63% | 0.63 | S | S | . | * | -19.6 | 100.3 | 98 | -158 | 10.2 | 0 | 0 | 0 | 115.2 | D1234 D1778 | D1234-N1776 WeakPolarHBondContact OD2-CB 3.03Å; D1234-N1776 PolarHBondContact OD2-ND2 3.04Å; N1776-D1778 PolarHBondContact ND2-OD2 3.5Å; N1776-D1778 WeakPolarHBondContact OD1-CA 3.47Å; N1776-D1778 WeakPolarHBondContact OD1-CB 3.14Å; N1776-D1778 PolarHBondContact OD1-N 3.01Å | |||
| 1777 | Y | 26.8 | Very low | 25 | Very low | 143 Ų | 143 | 112.7 Ų | 112.7 | 56% | 0.561 | 63% | 0.626 | S | S | * | * | trans | -92.1 | 129 | 130.6 | -94.9 | -141.3 | 0 | 0 | 0 | 105.7 | L1775 S2163 L2164 | L1775-Y1777 HydrophobicContact CD2-CD2 4.45Å; L1775-Y1777 HydrophobicContact CD2-CE2 4.45Å; Y1777-S2163 WeakPolarHBondContact CB-OG 2.95Å; Y1777-S2163 WeakPolarHBondContact O-CB 2.99Å; Y1777-L2164 HydrophobicContact CD1-CD2 3.77Å; Y1777-L2164 HydrophobicContact CD1-CG 3.98Å; Y1777-L2164 HydrophobicContact CE1-CD2 3.68Å; Y1777-L2164 HydrophobicContact CE1-CG 4.22Å | ||
| 1778 | D | 23.9 | Very low | 25.1 | Very low | 58 Ų | 58 | 111.6 Ų | 111.6 | 31% | 0.31 | 62% | 0.62 | S | S | . | * | trans | -106.2 | -178.2 | -170.5 | -149.8 | -38 | 0 | 0 | 0 | 112.1 | N1776 S2163 L2164 N2165 | N1776-D1778 PolarHBondContact ND2-OD2 3.5Å; N1776-D1778 WeakPolarHBondContact OD1-CA 3.47Å; N1776-D1778 WeakPolarHBondContact OD1-CB 3.14Å; N1776-D1778 PolarHBondContact OD1-N 3.01Å; D1778-S2163 CarbonylContact O-C 3.34Å; D1778-S2163 VanDerWaalsContact O-C 3.25Å; D1778-S2163 WeakPolarHBondContact O-CA 3.18Å; D1778-S2163 WeakPolarHBondContact O-CB 3.47Å; D1778-L2164 CarbonylContact O-C 3.36Å; D1778-L2164 WeakPolarHBondContact O-CA 3.36Å; D1778-L2164 PolarHBondContact O-N 2.84Å; D1778-N2165 PolarHBondContact O-N 2.96Å | ||
| 1779 | A | 24.9 | Very low | 25.1 | Very low | 36 Ų | 36 | 115 Ų | 115 | 30% | 0.298 | 62% | 0.619 | S | S | . | * | trans | 49.9 | -151.3 | 156.4 | 0 | 0 | 0 | 0 | 0 | 117.4 | S2163 L2164 N2165 | A1779-S2163 CarbonylContact O-C 3.11Å; A1779-S2163 WeakPolarHBondContact O-CA 3.45Å; A1779-L2164 VanDerWaalsContact C-N 3.3Å; A1779-L2164 PolarHBondContact O-N 3.06Å; A1779-N2165 WeakPolarHBondContact CB-O 3.48Å | ||
| 1780 | T | 24.9 | Very low | 25.2 | Very low | 85 Ų | 85 | 116.3 Ų | 116.3 | 52% | 0.521 | 62% | 0.616 | S | S | . | * | cis | -102 | 127.7 | -43.2 | 33.8 | 0 | 0 | 0 | 0 | 107.3 | L2164 N2165 | T1780-L2164 WeakPolarHBondContact CB-O 3.41Å; T1780-L2164 VanDerWaalsContact CG2-O 3.31Å; T1780-L2164 WeakPolarHBondContact CG2-O 3.37Å; T1780-L2164 PolarHBondContact N-O 2.75Å; T1780-L2164 PolarHBondContact OG1-O 2.9Å; T1780-N2165 WeakPolarHBondContact CG2-O 3.33Å | ||
| 1781 | T | 24 | Very low | 25.4 | Very low | 108 Ų | 108 | 116 Ų | 116 | 66% | 0.663 | 62% | 0.617 | S | S | * | * | 54.4 | 103.8 | 65.9 | 72.1 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1782 | L | 26.1 | Very low | 25.5 | Very low | 159 Ų | 159 | 120.1 Ų | 120.1 | 83% | 0.832 | 63% | 0.625 | S | S | * | * | 170.2 | 125.4 | 117.1 | -88.6 | 157.9 | 0 | 0 | 0 | 113.3 | |||||
| 1783 | S | 24.1 | Very low | 25.5 | Very low | 89 Ų | 89 | 120 Ų | 120 | 62% | 0.622 | 62% | 0.618 | S | S | * | * | trans | 51.2 | 118.6 | 137.9 | -57.9 | 0 | 0 | 0 | 0 | 123 | ||||
| 1784 | D | 28.5 | Very low | 25.6 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 78% | 0.775 | 63% | 0.631 | S | S | * | * | 53.7 | 154.9 | 121.1 | -62.9 | -1.1 | 0 | 0 | 0 | 122.5 | |||||
| 1785 | P | 32.1 | Very low | 25.5 | Very low | 98 Ų | 98 | 125 Ų | 125 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | cis | -138.8 | 167.5 | -29.5 | 38.4 | -22 | 0 | 0 | 0 | 114.7 | ||||
| 1786 | E | 24.5 | Very low | 25.3 | Very low | 188 Ų | 188 | 123.2 Ų | 123.2 | 88% | 0.879 | 63% | 0.628 | S | S | * | * | trans | 58.5 | -179.9 | 157.8 | -69.8 | -174.2 | 149.9 | 0 | 0 | 119.1 | ||||
| 1787 | T | 25.3 | Very low | 25.3 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 78% | 0.779 | 65% | 0.652 | S | S | * | * | trans | 68.4 | 99.8 | 175.1 | 11.3 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1788 | E | 23.5 | Very low | 25.2 | Very low | 136 Ų | 136 | 126.6 Ų | 126.6 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | 38.6 | 113.6 | 125 | -63.3 | -150.9 | 110 | 0 | 0 | 122.7 | |||||
| 1789 | R | 23.2 | Very low | 25.1 | Very low | 171 Ų | 171 | 132.2 Ų | 132.2 | 65% | 0.645 | 68% | 0.679 | S | S | * | * | 69.5 | 164.6 | 127.9 | -55.8 | -177.3 | -158.5 | -160.8 | 10 | 121 | |||||
| 1790 | Y | 24.8 | Very low | 25.1 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 65% | 0.651 | 70% | 0.7 | S | S | * | * | trans | 61.4 | 94.2 | 163.4 | -53.7 | -59.2 | 0 | 0 | 0 | 116.6 | ||||
| 1791 | S | 26.4 | Very low | 25.1 | Very low | 93 Ų | 93 | 138.7 Ų | 138.7 | 65% | 0.65 | 71% | 0.714 | S | S | * | * | 65.4 | 106.2 | 65 | 85.4 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1792 | Y | 24.8 | Very low | 25.1 | Very low | 208 Ų | 208 | 139.6 Ų | 139.6 | 82% | 0.816 | 71% | 0.714 | S | S | * | * | trans | -146.2 | 141.8 | 156.5 | -78.8 | -92.7 | 0 | 0 | 0 | 108.2 | ||||
| 1793 | K | 25.6 | Very low | 25 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 60% | 0.6 | 70% | 0.701 | S | S | * | * | cis | -165.4 | -174.2 | -23.6 | -150.6 | 159.7 | 179.6 | 171.2 | 0 | 107.6 | D1795 | K1793-D1795 WeakPolarHBondContact CE-OD2 3.42Å; K1793-D1795 HydrophobicContact CG-CB 4.19Å; K1793-D1795 WeakPolarHBondContact CG-OD1 3.17Å; K1793-D1795 WeakPolarHBondContact CG-OD2 3.32Å; K1793-D1795 IonicContact NZ-OD2 3.18Å | ||
| 1794 | L | 25 | Very low | 24.9 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 85% | 0.853 | 71% | 0.705 | S | S | * | * | trans | 82.2 | 67.5 | -175 | -50 | 171.5 | 0 | 0 | 0 | 110 | ||||
| 1795 | D | 23.6 | Very low | 24.8 | Very low | 99 Ų | 99 | 135 Ų | 135 | 53% | 0.529 | 70% | 0.701 | S | S | . | * | cis | 63.6 | 142.3 | 38 | -67.3 | 45 | 0 | 0 | 0 | 114.9 | K1793 | K1793-D1795 WeakPolarHBondContact CE-OD2 3.42Å; K1793-D1795 HydrophobicContact CG-CB 4.19Å; K1793-D1795 WeakPolarHBondContact CG-OD1 3.17Å; K1793-D1795 WeakPolarHBondContact CG-OD2 3.32Å; K1793-D1795 IonicContact NZ-OD2 3.18Å | ||
| 1796 | L | 24 | Very low | 24.4 | Very low | 121 Ų | 121 | 135.8 Ų | 135.8 | 63% | 0.634 | 71% | 0.709 | S | S | * | * | trans | 71.6 | 133.3 | 165.7 | -49.5 | 123.9 | 0 | 0 | 0 | 115.3 | ||||
| 1797 | F | 24.7 | Very low | 24.4 | Very low | 182 Ų | 182 | 130.5 Ų | 130.5 | 80% | 0.798 | 71% | 0.705 | S | S | * | * | cis | -126.7 | 144.4 | -3.5 | -71.4 | -91.9 | 0 | 0 | 0 | 107.9 | ||||
| 1798 | S | 24.6 | Very low | 24.4 | Very low | 88 Ų | 88 | 132.2 Ų | 132.2 | 62% | 0.615 | 71% | 0.71 | S | S | * | * | cis | 71.2 | 124.5 | 43.7 | -53.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1799 | E | 23.2 | Very low | 24.5 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 83% | 0.827 | 72% | 0.721 | S | S | * | * | trans | 59 | 117.4 | 164.7 | -54 | -178.4 | -163.1 | 0 | 0 | 118.5 | ||||
| 1800 | L | 25 | Very low | 24.7 | Very low | 139 Ų | 139 | 126 Ų | 126 | 73% | 0.728 | 73% | 0.725 | S | S | * | * | -178.2 | 111.1 | 95.4 | -94.6 | 170.6 | 0 | 0 | 0 | 111.4 | L1802 | L1800-L1802 PolarHBondContact O-N 3.44Š| |||
| 1801 | S | 23.2 | Very low | 24.7 | Very low | 118 Ų | 118 | 124.8 Ų | 124.8 | 83% | 0.825 | 73% | 0.73 | S | S | * | * | trans | -78.8 | 103.6 | 167.7 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1802 | L | 24.5 | Very low | 24.8 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 66% | 0.66 | 74% | 0.736 | S | S | * | * | trans | -132.3 | 95.7 | 174.7 | -77 | 179.2 | 0 | 0 | 0 | 113.4 | L1800 | L1800-L1802 PolarHBondContact O-N 3.44Š| ||
| 1803 | S | 23.9 | Very low | 24.8 | Very low | 81 Ų | 81 | 124.1 Ų | 124.1 | 57% | 0.566 | 73% | 0.732 | S | S | * | * | trans | 40.8 | 119 | 134.1 | 60.7 | 0 | 0 | 0 | 0 | 119.6 | V1805 | S1803-V1805 PolarHBondContact O-N 2.77Š| ||
| 1804 | S | 22.8 | Very low | 24.9 | Very low | 99 Ų | 99 | 124 Ų | 124 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | trans | -39 | 118.7 | 144.3 | 43.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1805 | V | 25.2 | Very low | 25.2 | Very low | 116 Ų | 116 | 122.2 Ų | 122.2 | 70% | 0.703 | 73% | 0.728 | S | S | * | * | trans | -133.1 | 109.4 | 164.7 | -179.3 | 0 | 0 | 0 | 0 | 109.2 | S1803 | S1803-V1805 PolarHBondContact O-N 2.77Š| ||
| 1806 | S | 24.7 | Very low | 25.2 | Very low | 116 Ų | 116 | 124.7 Ų | 124.7 | 81% | 0.811 | 74% | 0.739 | S | S | * | * | trans | -47.6 | 148.9 | 166.4 | 53.1 | 0 | 0 | 0 | 0 | 114 | ||||
| 1807 | G | 25.4 | Very low | 25.6 | Very low | 77 Ų | 77 | 124.8 Ų | 124.8 | 79% | 0.794 | 74% | 0.74 | S | S | * | * | trans | 175.6 | 92.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1808 | D | 24.2 | Very low | 25.7 | Very low | 162 Ų | 162 | 122.4 Ų | 122.4 | 87% | 0.866 | 73% | 0.734 | S | S | * | * | trans | -10.5 | 143 | 164.1 | -77.1 | -59 | 0 | 0 | 0 | 121.8 | ||||
| 1809 | A | 25.9 | Very low | 26.1 | Very low | 106 Ų | 106 | 127 Ų | 127 | 88% | 0.876 | 74% | 0.743 | S | S | * | * | trans | 69.1 | 158.1 | 140.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1810 | G | 27.6 | Very low | 26.1 | Very low | 70 Ų | 70 | 126.7 Ų | 126.7 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 129.1 | 57.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q1812 | G1810-Q1812 PolarHBondContact O-N 3.29Š| ||
| 1811 | D | 25 | Very low | 26.1 | Very low | 142 Ų | 142 | 126 Ų | 126 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | -36.4 | 120.9 | 160.8 | -66.6 | -71.1 | 0 | 0 | 0 | 112.3 | ||||
| 1812 | Q | 27.8 | Very low | 26.5 | Very low | 168 Ų | 168 | 125.5 Ų | 125.5 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | -177.4 | 101.8 | 110.1 | -97.8 | 145.3 | 96.9 | 0 | 0 | 112.7 | G1810 | G1810-Q1812 PolarHBondContact O-N 3.29Š| |||
| 1813 | T | 25.5 | Very low | 26.5 | Very low | 118 Ų | 118 | 125.2 Ų | 125.2 | 72% | 0.724 | 73% | 0.728 | S | S | * | * | -6.8 | 129.3 | 117.4 | 43.7 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1814 | L | 26.3 | Very low | 26.5 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | trans | 156.5 | 95.4 | 152.4 | -88.9 | 166.4 | 0 | 0 | 0 | 105.5 | M1816 | L1814-M1816 HydrophobicContact CD2-CE 3.98Å; L1814-M1816 HydrophobicContact CD2-CG 4.2Å | ||
| 1815 | N | 31.3 | Very low | 26.5 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | cis | 48 | 68.8 | 33.1 | -168.9 | 7.1 | 0 | 0 | 0 | 113.4 | N1817 | N1815-N1817 PolarHBondContact OD1-ND2 2.91Å; N1815-N1817 VanDerWaalsContact OD1-ND2 3.1Å | ||
| 1816 | M | 24.9 | Very low | 26.5 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | -121.6 | 125.9 | 126 | -64.1 | -162.5 | -151.1 | 0 | 0 | 108 | L1814 | L1814-M1816 HydrophobicContact CD2-CE 3.98Å; L1814-M1816 HydrophobicContact CD2-CG 4.2Å | |||
| 1817 | N | 31.4 | Very low | 26.5 | Very low | 124 Ų | 124 | 132.4 Ų | 132.4 | 66% | 0.663 | 74% | 0.744 | S | S | * | * | 66.4 | 158.6 | 64.8 | -93 | -77.6 | 0 | 0 | 0 | 113.5 | N1815 | N1815-N1817 PolarHBondContact OD1-ND2 2.91Å; N1815-N1817 VanDerWaalsContact OD1-ND2 3.1Å | |||
| 1818 | I | 26.6 | Very low | 26.6 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 67% | 0.672 | 74% | 0.74 | S | S | * | * | trans | 77.7 | 104.6 | -175.7 | -49.8 | 164.5 | 0 | 0 | 0 | 110.1 | ||||
| 1819 | K | 33 | Very low | 26.7 | Very low | 185 Ų | 185 | 132.9 Ų | 132.9 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | cis | -128 | 143.3 | 17.9 | -53.5 | 176.1 | -177.5 | 168.7 | 0 | 108.8 | ||||
| 1820 | K | 24.7 | Very low | 26.7 | Very low | 170 Ų | 170 | 133.9 Ų | 133.9 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | 52.7 | 133.8 | 58.4 | -64.7 | -174.9 | 177.6 | 175 | 0 | 111.2 | |||||
| 1821 | N | 23.5 | Very low | 26.6 | Very low | 125 Ų | 125 | 139 Ų | 139 | 67% | 0.668 | 72% | 0.721 | S | S | * | * | cis | -153.6 | 177.2 | 0.4 | -119 | 5.4 | 0 | 0 | 0 | 108.7 | ||||
| 1822 | P | 33.1 | Very low | 26.6 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 70% | 0.701 | 71% | 0.712 | S | S | * | * | trans | -79.1 | -133.3 | 177 | 35.7 | -36.6 | 0 | 0 | 0 | 110.3 | ||||
| 1823 | I | 24.2 | Very low | 26.5 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 62% | 0.615 | 71% | 0.705 | S | S | * | * | trans | 78.7 | 90.3 | 178.5 | -46 | 157.5 | 0 | 0 | 0 | 111.8 | ||||
| 1824 | T | 22.8 | Very low | 26.5 | Very low | 129 Ų | 129 | 139 Ų | 139 | 79% | 0.791 | 70% | 0.704 | S | S | * | * | 54.4 | 60.6 | 68.9 | 81.4 | 0 | 0 | 0 | 0 | 116 | |||||
| 1825 | N | 24.2 | Very low | 26.5 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 75% | 0.749 | 70% | 0.697 | S | S | * | * | trans | -139.4 | 122.3 | 146.3 | -85.1 | -44.7 | 0 | 0 | 0 | 107.7 | ||||
| 1826 | K | 24.3 | Very low | 26.2 | Very low | 182 Ų | 182 | 140.2 Ų | 140.2 | 79% | 0.791 | 70% | 0.7 | S | S | * | * | 71.2 | 120.1 | 56.6 | -82.1 | -171.5 | 172.2 | 176.7 | 0 | 114.7 | |||||
| 1827 | S | 25.8 | Very low | 26.3 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 69% | 0.688 | S | S | * | * | trans | 74 | 148.5 | 148.3 | 75.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1828 | T | 25.9 | Very low | 25.9 | Very low | 115 Ų | 115 | 137.5 Ų | 137.5 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | cis | -135 | 145.3 | 24.4 | 35.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1829 | L | 26.1 | Very low | 25.9 | Very low | 135 Ų | 135 | 139.6 Ų | 139.6 | 71% | 0.707 | 69% | 0.692 | S | S | * | * | trans | 55.4 | 144.3 | 150.9 | -83.5 | 83.9 | 0 | 0 | 0 | 120.1 | ||||
| 1830 | H | 25.7 | Very low | 25.5 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | cis | -169.7 | 149.5 | -16.1 | -129.7 | 28.5 | 0 | 0 | 0 | 106 | ||||
| 1831 | K | 27.3 | Very low | 25.5 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 77% | 0.77 | 70% | 0.695 | S | S | * | * | cis | -138.6 | 127.6 | 21 | -75.3 | -178.3 | 178.1 | 172.6 | 0 | 110.2 | ||||
| 1832 | C | 24.4 | Very low | 25.6 | Very low | 84 Ų | 84 | 136.5 Ų | 136.5 | 57% | 0.568 | 70% | 0.701 | S | S | * | * | 80 | 131.4 | 96.5 | -55.8 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1833 | Y | 25.3 | Very low | 25.3 | Very low | 166 Ų | 166 | 141.1 Ų | 141.1 | 65% | 0.651 | 71% | 0.71 | S | S | * | * | cis | -168.4 | 127.8 | -12.2 | -119.8 | -69.6 | 0 | 0 | 0 | 110.4 | ||||
| 1834 | Y | 25.5 | Very low | 25.3 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 70% | 0.702 | 70% | 0.702 | S | S | * | * | trans | 62.5 | 161.1 | 142.7 | -82.4 | -168.9 | 0 | 0 | 0 | 121.2 | ||||
| 1835 | K | 26.3 | Very low | 25.4 | Very low | 129 Ų | 129 | 139.4 Ų | 139.4 | 56% | 0.561 | 70% | 0.699 | S | S | * | * | cis | -159.4 | 145 | -10.4 | -130.3 | -179.5 | -179.8 | -173.8 | 0 | 112.7 | ||||
| 1836 | H | 26.2 | Very low | 25.5 | Very low | 157 Ų | 157 | 142 Ų | 142 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | 20.8 | 111.6 | 138.7 | -68 | -120.3 | 0 | 0 | 0 | 119.5 | D731 | D731-H1836 WeakPolarHBondContact OD2-CA 3.4Å; D731-H1836 PolarHBondContact OD2-N 2.83Å | ||
| 1837 | G | 26.1 | Very low | 25.4 | Very low | 48 Ų | 48 | 141.2 Ų | 141.2 | 50% | 0.495 | 70% | 0.697 | S | S | . | * | 77.5 | 153.3 | 76.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | D731 | D731-G1837 VanDerWaalsContact CG-N 3.35Å; D731-G1837 PolarHBondContact OD1-N 3.26Å; D731-G1837 WeakPolarHBondContact OD2-CA 3.32Å; D731-G1837 PolarHBondContact OD2-N 3.19Å | |||
| 1838 | K | 24 | Very low | 25.3 | Very low | 170 Ų | 170 | 146.7 Ų | 146.7 | 74% | 0.739 | 70% | 0.701 | S | S | * | * | trans | 95.1 | 130.5 | 162.2 | -82.2 | -175 | 164.3 | -154.3 | 0 | 122.7 | ||||
| 1839 | Y | 24.9 | Very low | 25.2 | Very low | 174 Ų | 174 | 147.3 Ų | 147.3 | 68% | 0.682 | 70% | 0.704 | S | S | * | * | trans | 75.8 | 111.1 | 149.6 | -64.4 | -46.9 | 0 | 0 | 0 | 123.9 | ||||
| 1840 | L | 25 | Very low | 25.1 | Very low | 154 Ų | 154 | 146 Ų | 146 | 81% | 0.806 | 70% | 0.701 | S | S | * | * | 38.8 | 110.1 | 115.5 | -89.9 | 163.8 | 0 | 0 | 0 | 119.4 | |||||
| 1841 | S | 25.2 | Very low | 25 | Very low | 116 Ų | 116 | 149.5 Ų | 149.5 | 81% | 0.811 | 71% | 0.711 | S | S | * | * | 174.4 | 164.6 | 126.8 | 41.7 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1842 | D | 25.2 | Very low | 24.8 | Very low | 145 Ų | 145 | 152.3 Ų | 152.3 | 78% | 0.775 | 72% | 0.717 | S | S | * | * | trans | -64.7 | 139.6 | -177.4 | -64.9 | -91.5 | 0 | 0 | 0 | 115 | ||||
| 1843 | K | 27.5 | Very low | 24.9 | Very low | 205 Ų | 205 | 156 Ų | 156 | 89% | 0.891 | 73% | 0.725 | S | S | * | * | -170.1 | 139.3 | 112.9 | -97.2 | 144.7 | -167.3 | 170.8 | 0 | 114.4 | |||||
| 1844 | K | 24.8 | Very low | 24.8 | Very low | 106 Ų | 106 | 153.4 Ų | 153.4 | 46% | 0.461 | 73% | 0.729 | S | S | . | * | trans | -53 | 127 | -176.6 | -67.8 | 157.9 | 174.2 | 172.7 | 0 | 113.8 | P130 I131 Q132 | P130-K1844 WeakPolarHBondContact O-CE 3.44Å; P130-K1844 PolarHBondContact O-NZ 2.76Å; I131-K1844 PolarHBondContact O-NZ 3.19Å; Q132-K1844 VanDerWaalsContact CB-NZ 3.34Å; Q132-K1844 HydrophobicContact CG-CD 4.42Å | ||
| 1845 | C | 24.8 | Very low | 24.7 | Very low | 107 Ų | 107 | 155.2 Ų | 155.2 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | trans | -142.3 | 125.8 | 165.6 | -111.1 | 0 | 0 | 0 | 0 | 113.7 | Y1847 | C1845-Y1847 HydrophobicContact CB-CD2 4.28Å; C1845-Y1847 HydrophobicContact CB-CE2 4.33Å; C1845-Y1847 PolarHBondContact O-N 3.37Å | ||
| 1846 | K | 24.4 | Very low | 24.8 | Very low | 196 Ų | 196 | 154.5 Ų | 154.5 | 85% | 0.852 | 74% | 0.735 | S | S | * | * | trans | -86.3 | 95.5 | -172.5 | -65.8 | 173.8 | 177.6 | 174.6 | 0 | 112.3 | ||||
| 1847 | Y | 23.9 | Very low | 24.7 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 64% | 0.643 | 73% | 0.726 | S | S | * | * | trans | -133 | 92.1 | 175.2 | -72.3 | -74.4 | 0 | 0 | 0 | 115.2 | C1845 V1849 R1947 | C1845-Y1847 HydrophobicContact CB-CD2 4.28Å; C1845-Y1847 HydrophobicContact CB-CE2 4.33Å; C1845-Y1847 PolarHBondContact O-N 3.37Å; Y1847-V1849 PolarHBondContact O-N 3.12Å; Y1847-R1947 PolarHBondContact OH-NH2 2.81Å | ||
| 1848 | R | 22.6 | Very low | 24.7 | Very low | 226 Ų | 226 | 158.2 Ų | 158.2 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | trans | 34.7 | 82.2 | 147.7 | -163.4 | -179.3 | -168 | 171.2 | 3.5 | 116.7 | V1850 | R1848-V1850 HydrophobicContact CG-CG2 4.42Å; R1848-V1850 PolarHBondContact O-N 3.12Å | ||
| 1849 | V | 24.6 | Very low | 24.9 | Very low | 128 Ų | 128 | 153.5 Ų | 153.5 | 78% | 0.776 | 73% | 0.729 | S | S | * | * | trans | -60.9 | 101.4 | 166.8 | 179.9 | 0 | 0 | 0 | 0 | 109.8 | Y1847 Y1851 | Y1847-V1849 PolarHBondContact O-N 3.12Å; V1849-Y1851 HydrophobicContact CG1-CD2 4.37Å | ||
| 1850 | V | 22.9 | Very low | 25.1 | Very low | 107 Ų | 107 | 148.9 Ų | 148.9 | 65% | 0.648 | 71% | 0.714 | S | S | * | * | trans | -83.2 | 109.4 | 163.4 | 176.7 | 0 | 0 | 0 | 0 | 106.6 | R1848 R1852 | R1848-V1850 HydrophobicContact CG-CG2 4.42Å; R1848-V1850 PolarHBondContact O-N 3.12Å; V1850-R1852 PolarHBondContact O-N 3.39Å | ||
| 1851 | Y | 24.2 | Very low | 25.2 | Very low | 201 Ų | 201 | 149 Ų | 149 | 79% | 0.788 | 71% | 0.712 | S | S | * | * | trans | -58.2 | 102.1 | 163.4 | -87.5 | -96.1 | 0 | 0 | 0 | 108.3 | V1849 Q1853 | V1849-Y1851 HydrophobicContact CG1-CD2 4.37Å; Y1851-Q1853 VanDerWaalsContact C-N 3.31Å; Y1851-Q1853 PolarHBondContact O-N 3.42Å | ||
| 1852 | R | 23.3 | Very low | 25.2 | Very low | 237 Ų | 237 | 146.7 Ų | 146.7 | 89% | 0.894 | 69% | 0.693 | S | S | * | * | trans | -66.2 | 101.6 | 154.1 | -80.7 | -173.3 | 172.6 | -173.4 | -2 | 105.4 | V1850 | V1850-R1852 PolarHBondContact O-N 3.39Š| ||
| 1853 | Q | 25.7 | Very low | 25.3 | Very low | 161 Ų | 161 | 147.3 Ų | 147.3 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | trans | -54.8 | 141.9 | 170.5 | -63.3 | 168.5 | -88.5 | 0 | 0 | 108.3 | Y1851 R1855 | Y1851-Q1853 VanDerWaalsContact C-N 3.31Å; Y1851-Q1853 PolarHBondContact O-N 3.42Å; Q1853-R1855 PolarHBondContact O-N 2.79Å | ||
| 1854 | P | 24.9 | Very low | 25.2 | Very low | 111 Ų | 111 | 142.3 Ų | 142.3 | 72% | 0.721 | 68% | 0.682 | S | S | * | * | trans | -55.4 | 130.3 | 158.9 | 26.7 | -32.6 | 0 | 0 | 0 | 107 | I1856 | P1854-I1856 PolarHBondContact O-N 3.05Š| ||
| 1855 | R | 23.6 | Very low | 25.4 | Very low | 218 Ų | 218 | 142.2 Ų | 142.2 | 82% | 0.823 | 69% | 0.692 | S | S | * | * | trans | -72.2 | 87.4 | 170.2 | -77.6 | 178.2 | 167.8 | 177.8 | -6.8 | 106.9 | Q1853 D1857 | Q1853-R1855 PolarHBondContact O-N 2.79Å; R1855-D1857 PolarHBondContact O-N 2.95Å; R1855-D1857 VanDerWaalsContact O-N 3.11Å | ||
| 1856 | I | 26.6 | Very low | 25.5 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 58% | 0.579 | 69% | 0.688 | S | S | * | * | trans | -63.2 | 109.8 | 159.1 | -59.2 | 173.8 | 0 | 0 | 0 | 104.7 | P1854 | P1854-I1856 PolarHBondContact O-N 3.05Š| ||
| 1857 | D | 23.7 | Very low | 25.8 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 53% | 0.529 | 67% | 0.672 | S | S | . | * | trans | -74.5 | 136.4 | 171.4 | -173.4 | 17.8 | 0 | 0 | 0 | 108.2 | R1855 S1859 Q1860 | R1855-D1857 PolarHBondContact O-N 2.95Å; R1855-D1857 VanDerWaalsContact O-N 3.11Å; D1857-S1859 PolarHBondContact O-N 2.84Å; D1857-S1859 WeakPolarHBondContact OD2-CB 3.31Å; D1857-S1859 PolarHBondContact OD2-OG 2.8Å; D1857-Q1860 WeakPolarHBondContact O-CB 3.48Å; D1857-Q1860 WeakPolarHBondContact O-CG 3.27Å; D1857-Q1860 PolarHBondContact O-N 3.32Å; D1857-Q1860 VanDerWaalsContact O-N 3.09Å | ||
| 1858 | F | 27 | Very low | 26.1 | Very low | 184 Ų | 184 | 136.9 Ų | 136.9 | 81% | 0.807 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.7 | 4.4 | -177.4 | -75.3 | -81.1 | 0 | 0 | 0 | 112.7 | Q1860 | F1858-Q1860 PolarHBondContact O-N 2.83Š|
| 1859 | S | 27.6 | Very low | 26.5 | Very low | 71 Ų | 71 | 130 Ų | 130 | 50% | 0.497 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.9 | -17 | 159.4 | 62 | 0 | 0 | 0 | 0 | 113.4 | D1857 M1861 | D1857-S1859 PolarHBondContact O-N 2.84Å; D1857-S1859 WeakPolarHBondContact OD2-CB 3.31Å; D1857-S1859 PolarHBondContact OD2-OG 2.8Å; S1859-M1861 VanDerWaalsContact C-N 3.32Å; S1859-M1861 PolarHBondContact O-N 2.83Å; S1859-M1861 VanDerWaalsContact O-N 3.12Å |
| 1860 | Q | 29.5 | Very low | 26.9 | Very low | 78 Ų | 78 | 128.1 Ų | 128.1 | 36% | 0.364 | 66% | 0.661 | S | S | . | * | trans | -87.1 | 44.6 | -172.3 | -53.1 | -166.3 | -58.6 | 0 | 0 | 115.7 | H847 D1857 F1858 | H847-Q1860 VanDerWaalsContact NE2-CA 3.3Å; H847-Q1860 WeakPolarHBondContact NE2-CA 3.4Å; H847-Q1860 WeakPolarHBondContact NE2-CG 3.27Å; D1857-Q1860 WeakPolarHBondContact O-CB 3.48Å; D1857-Q1860 WeakPolarHBondContact O-CG 3.27Å; D1857-Q1860 PolarHBondContact O-N 3.32Å; D1857-Q1860 VanDerWaalsContact O-N 3.09Å; F1858-Q1860 PolarHBondContact O-N 2.83Å | ||
| 1861 | M | 27 | Very low | 27.2 | Very low | 155 Ų | 155 | 131 Ų | 131 | 76% | 0.764 | 66% | 0.66 | S | S | * | * | trans | -133.6 | 83.8 | 171.3 | -77.3 | -171.3 | 66.1 | 0 | 0 | 111.7 | S1859 L1863 | S1859-M1861 VanDerWaalsContact C-N 3.32Å; S1859-M1861 PolarHBondContact O-N 2.83Å; S1859-M1861 VanDerWaalsContact O-N 3.12Å; M1861-L1863 PolarHBondContact O-N 2.86Å | ||
| 1862 | V | 25.3 | Very low | 27.5 | Very low | 68 Ų | 68 | 129.6 Ų | 129.6 | 41% | 0.412 | 67% | 0.666 | S | S | . | * | trans | -68.6 | 121 | 164.7 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | F880 V1864 | F880-V1862 HydrophobicContact CE1-CG1 4.39Å; V1862-V1864 PolarHBondContact O-N 3.2Å; V1862-V1864 VanDerWaalsContact O-N 3.08Å | ||
| 1863 | L | 27 | Very low | 27.7 | Very low | 159 Ų | 159 | 119.6 Ų | 119.6 | 83% | 0.832 | 64% | 0.637 | S | S | * | * | trans | -76.5 | 89.9 | 177 | -87.2 | 157.5 | 0 | 0 | 0 | 110.3 | M1861 P1865 | M1861-L1863 PolarHBondContact O-N 2.86Å; L1863-P1865 WeakPolarHBondContact O-CD 3.32Å | ||
| 1864 | V | 27 | Very low | 27.7 | Very low | 100 Ų | 100 | 117.1 Ų | 117.1 | 61% | 0.606 | 64% | 0.635 | S | S | * | * | trans | -61.4 | 124.9 | 165.1 | -177.8 | 0 | 0 | 0 | 0 | 108.5 | V1862 F1866 | V1862-V1864 PolarHBondContact O-N 3.2Å; V1862-V1864 VanDerWaalsContact O-N 3.08Å; V1864-F1866 PolarHBondContact O-N 3.09Å | ||
| 1865 | P | 27.6 | Very low | 27.8 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 68% | 0.675 | 63% | 0.631 | S | S | * | * | trans | -59.4 | 122.1 | 176.4 | -24.6 | 35.1 | 0 | 0 | 0 | 111 | L1863 D1867 | L1863-P1865 WeakPolarHBondContact O-CD 3.32Å; P1865-D1867 PolarHBondContact O-N 3.03Å | ||
| 1866 | F | 26.8 | Very low | 27.9 | Very low | 146 Ų | 146 | 112.3 Ų | 112.3 | 64% | 0.64 | 62% | 0.622 | S | S | * | * | trans | -88.7 | 99.8 | 179.9 | -164.6 | -77.4 | 0 | 0 | 0 | 108.8 | V1864 P1868 W1871 | V1864-F1866 PolarHBondContact O-N 3.09Å; F1866-P1868 WeakPolarHBondContact O-CD 3.49Å; F1866-W1871 HydrophobicContact CZ-CD2 4.44Å; F1866-W1871 HydrophobicContact CZ-CE3 4.31Å | ||
| 1867 | D | 31.2 | Very low | 27.9 | Very low | 95 Ų | 95 | 115 Ų | 115 | 51% | 0.508 | 63% | 0.63 | S | S | . | * | trans | -71.7 | 112.4 | 173.8 | -177 | -3 | 0 | 0 | 0 | 110.2 | P1865 A1869 S1870 | P1865-D1867 PolarHBondContact O-N 3.03Å; D1867-A1869 PolarHBondContact O-N 2.94Å; D1867-A1869 VanDerWaalsContact O-N 3.15Å; D1867-A1869 WeakPolarHBondContact OD1-CB 3.44Å; D1867-A1869 PolarHBondContact OD1-N 3.17Å; D1867-S1870 PolarHBondContact O-N 2.83Å; D1867-S1870 PolarHBondContact O-OG 2.8Å | ||
| 1868 | P | 29.1 | Very low | 28 | Very low | 114 Ų | 114 | 115.7 Ų | 115.7 | 74% | 0.74 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -65 | -15.8 | -179 | -17.7 | 32.9 | 0 | 0 | 0 | 114 | F1866 S1870 | F1866-P1868 WeakPolarHBondContact O-CD 3.49Å; P1868-S1870 VanDerWaalsContact C-N 3.35Å |
| 1869 | A | 32.9 | Very low | 27.9 | Very low | 80 Ų | 80 | 118.9 Ų | 118.9 | 66% | 0.661 | 65% | 0.646 | S | S | * | * | G | 310 helix | trans | -79.8 | -14 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1867 | D1867-A1869 PolarHBondContact O-N 2.94Å; D1867-A1869 VanDerWaalsContact O-N 3.15Å; D1867-A1869 WeakPolarHBondContact OD1-CB 3.44Å; D1867-A1869 PolarHBondContact OD1-N 3.17Å |
| 1870 | S | 32.3 | Very low | 27.9 | Very low | 90 Ų | 90 | 120.6 Ų | 120.6 | 63% | 0.629 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -96.8 | 1.7 | -170.6 | 64.5 | 0 | 0 | 0 | 0 | 115.5 | D1867 P1868 | D1867-S1870 PolarHBondContact O-N 2.83Å; D1867-S1870 PolarHBondContact O-OG 2.8Å; P1868-S1870 VanDerWaalsContact C-N 3.35Å |
| 1871 | W | 29.1 | Very low | 27.8 | Very low | 166 Ų | 166 | 120 Ų | 120 | 63% | 0.629 | 66% | 0.663 | S | S | * | * | trans | -109.6 | 74.9 | -170.3 | -166 | 37.8 | 0 | 0 | 0 | 114.5 | F1866 G1873 V1875 | F1866-W1871 HydrophobicContact CZ-CD2 4.44Å; F1866-W1871 HydrophobicContact CZ-CE3 4.31Å; W1871-G1873 PolarHBondContact O-N 2.8Å; W1871-V1875 HydrophobicContact CH2-CG2 4.07Å; W1871-V1875 HydrophobicContact CZ3-CG2 4.14Å | ||
| 1872 | N | 29.6 | Very low | 27.8 | Very low | 172 Ų | 172 | 118.9 Ų | 118.9 | 92% | 0.92 | 66% | 0.659 | S | S | * | * | trans | -81.9 | 57.7 | 173.2 | -67.9 | -20.7 | 0 | 0 | 0 | 112.1 | ||||
| 1873 | G | 28.3 | Very low | 27.9 | Very low | 28 Ų | 28 | 121.1 Ų | 121.1 | 29% | 0.289 | 67% | 0.668 | S | S | . | * | trans | -120.6 | 147.3 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | W1871 V1875 | W1871-G1873 PolarHBondContact O-N 2.8Å; G1873-V1875 PolarHBondContact O-N 3.07Å | ||
| 1874 | P | 25.5 | Very low | 28 | Very low | 108 Ų | 108 | 118.9 Ų | 118.9 | 70% | 0.701 | 67% | 0.666 | S | S | * | * | trans | -74.2 | 97.9 | -171.4 | 28.7 | -35.5 | 0 | 0 | 0 | 113.5 | L1876 | P1874-L1876 PolarHBondContact O-N 3.3Š| ||
| 1875 | V | 27 | Very low | 28.2 | Very low | 107 Ų | 107 | 121.8 Ų | 121.8 | 65% | 0.648 | 67% | 0.673 | S | S | * | * | trans | -67.6 | 122.4 | 172.6 | 179.4 | 0 | 0 | 0 | 0 | 110.5 | W1871 G1873 K1877 | W1871-V1875 HydrophobicContact CH2-CG2 4.07Å; W1871-V1875 HydrophobicContact CZ3-CG2 4.14Å; G1873-V1875 PolarHBondContact O-N 3.07Å; V1875-K1877 PolarHBondContact O-N 3.08Å | ||
| 1876 | L | 25.5 | Very low | 28.5 | Very low | 121 Ų | 121 | 124 Ų | 124 | 63% | 0.634 | 68% | 0.675 | S | S | * | * | trans | -62.5 | 105.2 | -178.1 | -78.6 | 165.8 | 0 | 0 | 0 | 112.8 | K11 P1874 | K11-L1876 HydrophobicContact CD-CD2 4.11Å; P1874-L1876 PolarHBondContact O-N 3.3Å | ||
| 1877 | K | 27.7 | Very low | 28.7 | Very low | 171 Ų | 171 | 123 Ų | 123 | 74% | 0.743 | 68% | 0.675 | S | S | * | * | trans | -55.5 | 124.4 | 164.4 | -67.6 | 172.7 | -178.8 | 167.2 | 0 | 108.6 | V1875 | V1875-K1877 PolarHBondContact O-N 3.08Š| ||
| 1878 | P | 24.7 | Very low | 28.6 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -66 | 137.2 | 168.8 | 28.8 | -32.7 | 0 | 0 | 0 | 108.7 | T1880 | P1878-T1880 PolarHBondContact O-N 3.38Š| ||
| 1879 | R | 25.7 | Very low | 28.6 | Very low | 252 Ų | 252 | 127.6 Ų | 127.6 | 95% | 0.951 | 69% | 0.688 | S | S | * | * | trans | -51.1 | 115.3 | 177.4 | -88.1 | -174.4 | 171.7 | 176.6 | -3.6 | 110.1 | ||||
| 1880 | T | 28.1 | Very low | 28.2 | Very low | 106 Ų | 106 | 132 Ų | 132 | 65% | 0.65 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 152.1 | 169.3 | -35.9 | 0 | 0 | 0 | 0 | 109 | V1112 P1878 | V1112-T1880 HydrophobicContact CB-CG2 4.44Å; V1112-T1880 HydrophobicContact CG2-CG2 4.39Å; P1878-T1880 PolarHBondContact O-N 3.38Å |
| 1881 | A | 26 | Very low | 27.9 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 55% | 0.554 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 143.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1882 | L | 27.3 | Very low | 27.7 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 69% | 0.686 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 140.3 | 170.5 | -71.4 | 162.6 | 0 | 0 | 0 | 110.1 | ||
| 1883 | N | 26.5 | Very low | 27.5 | Very low | 114 Ų | 114 | 131.4 Ų | 131.4 | 61% | 0.61 | 70% | 0.701 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 147.1 | 175.2 | -77.1 | -20.2 | 0 | 0 | 0 | 110.6 | E1885 | N1883-E1885 PolarHBondContact O-N 2.84Š|
| 1884 | S | 29.2 | Very low | 27.6 | Very low | 112 Ų | 112 | 135.1 Ų | 135.1 | 78% | 0.783 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 16.6 | -174.4 | 49.8 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1885 | E | 32.3 | Very low | 27.8 | Very low | 162 Ų | 162 | 137.7 Ų | 137.7 | 76% | 0.757 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122 | -23.9 | -173 | -64.7 | 179.3 | 150.4 | 0 | 0 | 112.5 | N1883 L1887 | N1883-E1885 PolarHBondContact O-N 2.84Å; E1885-L1887 VanDerWaalsContact C-N 3.34Å |
| 1886 | E | 33.2 | Very low | 27.7 | Very low | 151 Ų | 151 | 137.2 Ų | 137.2 | 71% | 0.706 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -81.3 | -11.1 | 175.8 | -64.8 | -179.7 | 123.6 | 0 | 0 | 113.6 | Q1888 | E1886-Q1888 PolarHBondContact O-N 2.85Š|
| 1887 | L | 31.2 | Very low | 27.8 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 65% | 0.649 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -85.5 | 15.9 | 178.2 | -78.1 | 171.8 | 0 | 0 | 0 | 114 | E1885 | E1885-L1887 VanDerWaalsContact C-N 3.34Š|
| 1888 | Q | 28.9 | Very low | 27.7 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -115.4 | 5.4 | -170.1 | -150.8 | 57 | 68.7 | 0 | 0 | 115 | E1886 | E1886-Q1888 PolarHBondContact O-N 2.85Š|
| 1889 | L | 28.5 | Very low | 27.7 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 82% | 0.817 | 74% | 0.736 | S | S | * | * | trans | -127.9 | 55.6 | 180 | -74.6 | 173.8 | 0 | 0 | 0 | 114.2 | ||||
| 1890 | I | 26.4 | Very low | 27.7 | Very low | 174 Ų | 174 | 131.3 Ų | 131.3 | 89% | 0.892 | 73% | 0.725 | S | S | * | * | trans | -127.1 | 53.5 | 155.9 | -48.4 | -177.2 | 0 | 0 | 0 | 109.5 | ||||
| 1891 | V | 25.3 | Very low | 27.7 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 65% | 0.648 | 73% | 0.727 | S | S | * | * | trans | -157.3 | 120.9 | 172 | -179.9 | 0 | 0 | 0 | 0 | 104 | ||||
| 1892 | D | 25.3 | Very low | 27.7 | Very low | 139 Ų | 139 | 135.8 Ų | 135.8 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | cis | -124.4 | 164.4 | 2 | -71.2 | -66.2 | 0 | 0 | 0 | 109.4 | ||||
| 1893 | M | 24.8 | Very low | 27.8 | Very low | 169 Ų | 169 | 135 Ų | 135 | 83% | 0.833 | 73% | 0.728 | S | S | * | * | 168.7 | 164.3 | 83.2 | -88.2 | -66.1 | -107.5 | 0 | 0 | 109.3 | |||||
| 1894 | P | 29.8 | Very low | 27.8 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 68% | 0.682 | 73% | 0.729 | S | S | * | * | cis | -127.1 | 164.4 | -24.4 | 37.9 | -23.8 | 0 | 0 | 0 | 113.1 | ||||
| 1895 | N | 30.1 | Very low | 27.7 | Very low | 162 Ų | 162 | 136 Ų | 136 | 87% | 0.866 | 72% | 0.724 | S | S | * | * | trans | -74 | 135.5 | 167.7 | -74.8 | -57.8 | 0 | 0 | 0 | 112 | ||||
| 1896 | S | 24.9 | Very low | 27.5 | Very low | 98 Ų | 98 | 135.1 Ų | 135.1 | 69% | 0.685 | 73% | 0.725 | S | S | * | * | 179.2 | 123.5 | 122.1 | 41.3 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 1897 | F | 27.8 | Very low | 27.2 | Very low | 190 Ų | 190 | 137.8 Ų | 137.8 | 83% | 0.833 | 73% | 0.728 | S | S | * | * | trans | -139.3 | 139.6 | 132.6 | -122.5 | -84 | 0 | 0 | 0 | 109.4 | ||||
| 1898 | S | 26.7 | Very low | 27 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 73% | 0.726 | S | S | * | * | trans | -72.3 | 175 | 179.8 | -36.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1899 | S | 24.3 | Very low | 26.9 | Very low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | cis | -161.4 | -176.5 | 14.1 | 47.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1900 | L | 25.6 | Very low | 26.9 | Very low | 141 Ų | 141 | 136.6 Ų | 136.6 | 74% | 0.738 | 73% | 0.726 | S | S | * | * | trans | 73.6 | 133.1 | 169.8 | -49.2 | 173.9 | 0 | 0 | 0 | 115.3 | ||||
| 1901 | Q | 27.5 | Very low | 27.3 | Very low | 148 Ų | 148 | 136.4 Ų | 136.4 | 69% | 0.692 | 72% | 0.722 | S | S | * | * | cis | -154.8 | 145 | -13 | -134.3 | 172.6 | 4.5 | 0 | 0 | 111.9 | ||||
| 1902 | N | 26.7 | Very low | 27.6 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 64% | 0.636 | 73% | 0.727 | S | S | * | * | trans | 43.7 | 119.7 | 141.1 | -76.3 | 3 | 0 | 0 | 0 | 120.9 | ||||
| 1903 | N | 28.7 | Very low | 27.6 | Very low | 115 Ų | 115 | 135.1 Ų | 135.1 | 62% | 0.615 | 72% | 0.717 | S | S | * | * | 87.5 | 103.8 | 121.6 | -65.5 | -11 | 0 | 0 | 0 | 119.3 | |||||
| 1904 | N | 27 | Very low | 27.7 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 63% | 0.631 | 71% | 0.71 | S | S | * | * | 75.3 | 110.2 | 111.6 | -62.5 | -18.9 | 0 | 0 | 0 | 118.6 | |||||
| 1905 | N | 26.8 | Very low | 27.6 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 68% | 0.679 | 71% | 0.71 | S | S | * | * | 73.8 | 139.5 | 122.1 | -57.5 | -18.6 | 0 | 0 | 0 | 118.1 | |||||
| 1906 | N | 27.1 | Very low | 27.5 | Very low | 144 Ų | 144 | 133.8 Ų | 133.8 | 77% | 0.77 | 70% | 0.699 | S | S | * | * | trans | 70.4 | 148.8 | 152.1 | -65.1 | -30.4 | 0 | 0 | 0 | 115.2 | ||||
| 1907 | R | 26.9 | Very low | 27.6 | Very low | 207 Ų | 207 | 135.1 Ų | 135.1 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | cis | 172 | 179.3 | -6.8 | 175.4 | 179.6 | 179.2 | -168.9 | 3.6 | 104 | ||||
| 1908 | V | 28.2 | Very low | 27.5 | Very low | 100 Ų | 100 | 134 Ų | 134 | 61% | 0.606 | 69% | 0.685 | S | S | * | * | trans | 73 | 92 | 171.2 | -163.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1909 | D | 26.5 | Very low | 27.6 | Very low | 136 Ų | 136 | 139 Ų | 139 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | 72.5 | 156.6 | 71 | -63.8 | -57.3 | 0 | 0 | 0 | 113.4 | |||||
| 1910 | Q | 29.1 | Very low | 27.8 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 68% | 0.681 | S | S | * | * | trans | 79 | 104.5 | 164.2 | -70.9 | 156.7 | 80.7 | 0 | 0 | 118.5 | ||||
| 1911 | Q | 34.5 | Very low | 28 | Very low | 170 Ų | 170 | 137.9 Ų | 137.9 | 79% | 0.794 | 68% | 0.679 | S | S | * | * | trans | -43.1 | 144.3 | 133.2 | -58.3 | 170.4 | -96.8 | 0 | 0 | 109.8 | ||||
| 1912 | P | 30.4 | Very low | 28 | Very low | 117 Ų | 117 | 136.7 Ų | 136.7 | 76% | 0.76 | 68% | 0.677 | S | S | * | * | -113.4 | 149.8 | 77.8 | -12 | 32.5 | 0 | 0 | 0 | 112.9 | |||||
| 1913 | D | 25.9 | Very low | 28 | Very low | 102 Ų | 102 | 135.8 Ų | 135.8 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | cis | 65.5 | 143.1 | 37.9 | -173 | 31.1 | 0 | 0 | 0 | 113.2 | ||||
| 1914 | K | 28.2 | Very low | 27.9 | Very low | 156 Ų | 156 | 136 Ų | 136 | 68% | 0.678 | 69% | 0.686 | S | S | * | * | trans | 65.5 | 148.3 | 177.7 | -63.4 | 174.2 | -174.3 | 76.8 | 0 | 113.8 | ||||
| 1915 | N | 26.4 | Very low | 27.8 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 67% | 0.674 | 69% | 0.688 | S | S | * | * | cis | -163.7 | -179.9 | -0.1 | -131.4 | -16.4 | 0 | 0 | 0 | 111.2 | ||||
| 1916 | I | 27.9 | Very low | 27.8 | Very low | 127 Ų | 127 | 136.2 Ų | 136.2 | 65% | 0.651 | 69% | 0.69 | S | S | * | * | trans | 65.4 | 123.7 | 146.4 | -74.2 | 161.1 | 0 | 0 | 0 | 115.5 | ||||
| 1917 | E | 27 | Very low | 27.8 | Very low | 126 Ų | 126 | 134.5 Ų | 134.5 | 59% | 0.589 | 69% | 0.685 | S | S | * | * | cis | 165.3 | -168.7 | -7.6 | -126.7 | -172.6 | 139.7 | 0 | 0 | 103.7 | ||||
| 1918 | R | 27.2 | Very low | 27.8 | Very low | 167 Ų | 167 | 131.6 Ų | 131.6 | 63% | 0.63 | 69% | 0.685 | S | S | * | * | trans | 60.7 | 93.3 | 151.3 | -70.1 | 149.1 | -148.2 | -122.5 | -1.7 | 114.4 | ||||
| 1919 | R | 26.8 | Very low | 27.6 | Very low | 209 Ų | 209 | 131.7 Ų | 131.7 | 79% | 0.789 | 69% | 0.69 | S | S | * | * | 104.4 | 152.3 | 76.5 | -99.4 | 179.3 | -169.1 | 156.4 | 1.9 | 107.7 | |||||
| 1920 | A | 28.9 | Very low | 27.6 | Very low | 65 Ų | 65 | 132.1 Ų | 132.1 | 54% | 0.537 | 69% | 0.69 | S | S | . | * | cis | -156 | 150.3 | 5.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1921 | H | 30.1 | Very low | 27.6 | Very low | 149 Ų | 149 | 133.6 Ų | 133.6 | 69% | 0.69 | 69% | 0.689 | S | S | * | * | trans | 60.8 | 146.5 | 138.1 | -56.8 | -38.5 | 0 | 0 | 0 | 119.2 | ||||
| 1922 | N | 28.3 | Very low | 27.2 | Very low | 122 Ų | 122 | 132.3 Ų | 132.3 | 65% | 0.652 | 69% | 0.688 | S | S | * | * | cis | -169.8 | 166.5 | -14.8 | -106.6 | -4.6 | 0 | 0 | 0 | 105.3 | ||||
| 1923 | S | 26.1 | Very low | 27.2 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 71% | 0.706 | 69% | 0.686 | S | S | * | * | trans | 62.3 | 151.2 | 140.1 | 63.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1924 | V | 26.3 | Very low | 27.2 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 72% | 0.721 | 69% | 0.691 | S | S | * | * | cis | -148.9 | 148.6 | -15.3 | 121.1 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1925 | V | 25.9 | Very low | 27.3 | Very low | 113 Ų | 113 | 135.6 Ų | 135.6 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | trans | -12.5 | 150 | 149.5 | -148.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1926 | D | 26.4 | Very low | 27.4 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 73% | 0.727 | 69% | 0.693 | S | S | * | * | 132.5 | 160.7 | 111.5 | -136.5 | -10.6 | 0 | 0 | 0 | 117.4 | |||||
| 1927 | V | 27.1 | Very low | 27.3 | Very low | 109 Ų | 109 | 136.4 Ų | 136.4 | 66% | 0.661 | 70% | 0.702 | S | S | * | * | trans | 55.2 | 113 | 167.1 | -92.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1928 | D | 26.8 | Very low | 27.2 | Very low | 146 Ų | 146 | 135.7 Ų | 135.7 | 78% | 0.781 | 71% | 0.709 | S | S | * | * | 61.4 | 128.2 | 123.1 | -75.1 | -13.3 | 0 | 0 | 0 | 119.9 | |||||
| 1929 | S | 24.1 | Very low | 27.3 | Very low | 101 Ų | 101 | 135.8 Ų | 135.8 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | 75.6 | 155.9 | 70.4 | -159.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1930 | M | 25.8 | Very low | 27.3 | Very low | 146 Ų | 146 | 131.9 Ų | 131.9 | 72% | 0.719 | 72% | 0.716 | S | S | * | * | trans | 71.2 | 123.5 | 172.3 | -59.8 | -177.7 | 64.2 | 0 | 0 | 119.9 | ||||
| 1931 | Y | 28.7 | Very low | 27.2 | Very low | 199 Ų | 199 | 135.5 Ų | 135.5 | 78% | 0.78 | 73% | 0.726 | S | S | * | * | trans | 76.2 | 106.6 | 143.2 | -75.3 | -137.5 | 0 | 0 | 0 | 118.6 | ||||
| 1932 | N | 26.8 | Very low | 26.9 | Very low | 143 Ų | 143 | 136.4 Ų | 136.4 | 77% | 0.765 | 73% | 0.73 | S | S | * | * | 72.9 | 146.2 | 69.8 | -159.9 | 0.8 | 0 | 0 | 0 | 114.9 | |||||
| 1933 | K | 31 | Very low | 26.8 | Very low | 164 Ų | 164 | 134.9 Ų | 134.9 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | 89.8 | 101.4 | 173.1 | -63.5 | -170.8 | 173.3 | 179 | 0 | 121.3 | ||||
| 1934 | Q | 26.7 | Very low | 26.8 | Very low | 141 Ų | 141 | 137 Ų | 137 | 66% | 0.659 | 74% | 0.743 | S | S | * | * | 61.2 | 145.4 | 109.1 | -67.3 | 168.9 | -31.9 | 0 | 0 | 122.5 | |||||
| 1935 | N | 28.4 | Very low | 26.7 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 71.5 | 148.5 | 152.9 | -62.6 | -17 | 0 | 0 | 0 | 119.2 | ||||
| 1936 | A | 28.7 | Very low | 26.7 | Very low | 79 Ų | 79 | 145.6 Ų | 145.6 | 65% | 0.653 | 76% | 0.76 | S | S | * | * | cis | -168 | 164.2 | -21 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1937 | K | 27.5 | Very low | 26.6 | Very low | 190 Ų | 190 | 148.4 Ų | 148.4 | 83% | 0.826 | 76% | 0.761 | S | S | * | * | trans | 47 | 121.4 | 153.8 | -70.4 | 177.9 | 178.9 | -178.7 | 0 | 119.5 | ||||
| 1938 | C | 24.6 | Very low | 26.6 | Very low | 111 Ų | 111 | 153.4 Ų | 153.4 | 75% | 0.75 | 77% | 0.773 | S | S | * | * | 63.3 | 104.6 | 73.7 | -58.8 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1939 | I | 28 | Very low | 26.7 | Very low | 169 Ų | 169 | 151 Ų | 151 | 87% | 0.867 | 77% | 0.774 | S | S | * | * | trans | -142.4 | 140.6 | 135.9 | -65.3 | -168.1 | 0 | 0 | 0 | 106.5 | ||||
| 1940 | D | 26.9 | Very low | 27 | Very low | 128 Ų | 128 | 154.6 Ų | 154.6 | 68% | 0.684 | 78% | 0.779 | S | S | * | * | trans | -103.1 | -175.8 | -177 | -56.8 | -81.9 | 0 | 0 | 0 | 112.3 | ||||
| 1941 | N | 26.4 | Very low | 27.1 | Very low | 141 Ų | 141 | 153.3 Ų | 153.3 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 70.3 | 151.8 | 164 | -57.6 | -10 | 0 | 0 | 0 | 116.7 | ||||
| 1942 | E | 25 | Very low | 27.2 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | cis | -153.6 | 175.2 | -18.2 | -120.6 | 178.1 | 118.6 | 0 | 0 | 109.7 | ||||
| 1943 | A | 24.9 | Very low | 27.3 | Very low | 90 Ų | 90 | 151 Ų | 151 | 74% | 0.744 | 78% | 0.776 | S | S | * | * | trans | 44 | 110.1 | 160.2 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 1944 | V | 27.1 | Very low | 27.3 | Very low | 145 Ų | 145 | 148.1 Ų | 148.1 | 88% | 0.879 | 77% | 0.773 | S | S | * | * | -161.9 | 144 | 114.7 | 137.2 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 1945 | R | 24.7 | Very low | 27.5 | Very low | 232 Ų | 232 | 148.6 Ų | 148.6 | 88% | 0.875 | 78% | 0.778 | S | S | * | * | trans | -75.5 | 112.8 | -176.4 | 170.8 | -160.5 | -76.8 | -177.4 | -6.1 | 112 | ||||
| 1946 | M | 26.1 | Very low | 27.6 | Very low | 181 Ų | 181 | 146.7 Ų | 146.7 | 89% | 0.892 | 78% | 0.776 | S | S | * | * | trans | -144.5 | 163.6 | 158.1 | -94.1 | -57 | -173.8 | 0 | 0 | 112.7 | ||||
| 1947 | R | 24.6 | Very low | 27.6 | Very low | 196 Ų | 196 | 151.1 Ų | 151.1 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | trans | -122.9 | 163.5 | -173.8 | -64.7 | 173.6 | 171.4 | 179.4 | -6.9 | 111.3 | Y1847 | Y1847-R1947 PolarHBondContact OH-NH2 2.81Š| ||
| 1948 | K | 26.4 | Very low | 27.7 | Very low | 214 Ų | 214 | 148.6 Ų | 148.6 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | 83.9 | 147.9 | -178.9 | -58.8 | 174.3 | 179.7 | 174.1 | 0 | 113.8 | ||||
| 1949 | A | 28.8 | Very low | 28 | Very low | 96 Ų | 96 | 153 Ų | 153 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | cis | -152 | 160 | -13.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1950 | H | 30 | Very low | 28 | Very low | 176 Ų | 176 | 149.6 Ų | 149.6 | 82% | 0.815 | 77% | 0.773 | S | S | * | * | trans | -97.6 | 155 | 174.4 | -94 | -76.5 | 0 | 0 | 0 | 112.3 | K1952 | H1950-K1952 PolarHBondContact O-N 2.9Š| ||
| 1951 | P | 28.7 | Very low | 28 | Very low | 118 Ų | 118 | 150.9 Ų | 150.9 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -77.4 | 90.6 | -172.6 | 31.3 | -36 | 0 | 0 | 0 | 113.3 | ||
| 1952 | K | 29.4 | Very low | 28.1 | Very low | 199 Ų | 199 | 151 Ų | 151 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -137.2 | 25.8 | 161.5 | -78 | -161.2 | 171.7 | -170.1 | 0 | 112.9 | H1950 | H1950-K1952 PolarHBondContact O-N 2.9Š| ||
| 1953 | T | 30.3 | Very low | 28.4 | Very low | 94 Ų | 94 | 152.7 Ų | 152.7 | 58% | 0.577 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -141.6 | 34.9 | -166.1 | -33.3 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1954 | V | 29.8 | Very low | 28.5 | Very low | 105 Ų | 105 | 154.2 Ų | 154.2 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -117.6 | -39.6 | 176.5 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1955 | I | 31.6 | Very low | 28.5 | Very low | 151 Ų | 151 | 154 Ų | 154 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | G | 310 helix | trans | -78.5 | -25 | 177.2 | -63.2 | 176.3 | 0 | 0 | 0 | 111.9 | K1957 | I1955-K1957 PolarHBondContact O-N 3.01Š|
| 1956 | S | 30.6 | Very low | 28.8 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -80.4 | 11.3 | 175.5 | -166.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 1957 | K | 28 | Very low | 28.9 | Very low | 173 Ų | 173 | 145.7 Ų | 145.7 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | G | 310 helix | trans | -132.5 | 12.5 | 175.3 | -81.4 | -157.2 | 169.3 | -160.3 | 0 | 113.7 | I1955 | I1955-K1957 PolarHBondContact O-N 3.01Š|
| 1958 | L | 30.1 | Very low | 29 | Very low | 136 Ų | 136 | 144.7 Ų | 144.7 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -112.8 | 5.1 | 179 | -102.4 | 162.1 | 0 | 0 | 0 | 114.1 | ||
| 1959 | F | 30.3 | Very low | 28.9 | Very low | 203 Ų | 203 | 143.2 Ų | 143.2 | 89% | 0.89 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -129.5 | 42.8 | 176.9 | -105.4 | -83.4 | 0 | 0 | 0 | 112.1 | ||
| 1960 | S | 28.2 | Very low | 28.8 | Very low | 99 Ų | 99 | 143.9 Ų | 143.9 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -145.6 | 23.5 | 178.7 | -47.3 | 0 | 0 | 0 | 0 | 113.7 | ||
| 1961 | L | 26.9 | Very low | 28.5 | Very low | 154 Ų | 154 | 141.9 Ų | 141.9 | 81% | 0.806 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -145.7 | 37.1 | 179.7 | -145 | 93.1 | 0 | 0 | 0 | 114.9 | ||
| 1962 | V | 29.4 | Very low | 28.4 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 87% | 0.873 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -136.1 | 67.7 | 167.9 | -169 | 0 | 0 | 0 | 0 | 110.9 | ||
| 1963 | K | 30.5 | Very low | 28.2 | Very low | 202 Ų | 202 | 136.7 Ų | 136.7 | 88% | 0.878 | 74% | 0.742 | S | S | * | * | S | Bend | trans | 166.6 | 77.6 | 143.9 | -94.8 | 179.7 | 176.7 | -176.7 | 0 | 111.7 | ||
| 1964 | T | 26.5 | Very low | 28 | Very low | 123 Ų | 123 | 139.7 Ų | 139.7 | 76% | 0.755 | 75% | 0.75 | S | S | * | * | trans | -144.5 | 84.1 | 167.4 | 48.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1965 | T | 28.3 | Very low | 27.8 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 85% | 0.853 | 75% | 0.751 | S | S | * | * | trans | -164 | 142.6 | 168.6 | 26.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1966 | A | 29.8 | Very low | 27.5 | Very low | 91 Ų | 91 | 139.1 Ų | 139.1 | 75% | 0.752 | 75% | 0.749 | S | S | * | * | trans | 66.5 | 129.3 | 171 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 1967 | H | 29.8 | Very low | 27.2 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 69% | 0.685 | 75% | 0.754 | S | S | * | * | cis | -168 | 147.2 | -17.8 | -123.7 | 1.3 | 0 | 0 | 0 | 109.6 | ||||
| 1968 | R | 24.8 | Very low | 27 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 66% | 0.66 | 75% | 0.745 | S | S | * | * | trans | 45.9 | 136.5 | 139.2 | -63.8 | -178.7 | 173 | -178.7 | 0.6 | 118.6 | ||||
| 1969 | R | 25.9 | Very low | 26.7 | Very low | 183 Ų | 183 | 136.6 Ų | 136.6 | 69% | 0.691 | 74% | 0.742 | S | S | * | * | cis | -179.8 | 161.7 | 13.4 | -118.9 | 174.9 | -177.2 | 172.5 | -5 | 108.1 | ||||
| 1970 | T | 25.3 | Very low | 26.4 | Very low | 111 Ų | 111 | 135 Ų | 135 | 68% | 0.681 | 74% | 0.735 | S | S | * | * | trans | 34.8 | 142.3 | 141.7 | 64.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1971 | T | 24.4 | Very low | 26.3 | Very low | 133 Ų | 133 | 137.6 Ų | 137.6 | 82% | 0.816 | 74% | 0.736 | S | S | * | * | cis | -178.8 | 159.9 | 3.1 | 21.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1972 | G | 26.5 | Very low | 26.1 | Very low | 61 Ų | 61 | 135.9 Ų | 135.9 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | trans | 99.3 | 144 | 143.9 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 1973 | D | 25.9 | Very low | 25.9 | Very low | 148 Ų | 148 | 135.2 Ų | 135.2 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | 57.3 | 108.3 | 144.9 | -50 | -24.8 | 0 | 0 | 0 | 118 | ||||
| 1974 | Q | 25.2 | Very low | 25.6 | Very low | 156 Ų | 156 | 129.2 Ų | 129.2 | 73% | 0.729 | 71% | 0.712 | S | S | * | * | 76.1 | 148.3 | 69.2 | -77.3 | -158.3 | 13.9 | 0 | 0 | 114.5 | |||||
| 1975 | N | 25 | Very low | 25.5 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 66% | 0.663 | 72% | 0.716 | S | S | * | * | trans | 70.6 | 105 | 159.6 | -57.3 | -36.1 | 0 | 0 | 0 | 117.9 | ||||
| 1976 | T | 26.2 | Very low | 25.4 | Very low | 120 Ų | 120 | 130.1 Ų | 130.1 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | 14.6 | 118.4 | 120.8 | 55.4 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 1977 | I | 24.8 | Very low | 25.1 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 79% | 0.79 | 71% | 0.707 | S | S | * | * | -172.5 | 100 | 129 | -93 | 147 | 0 | 0 | 0 | 102.8 | |||||
| 1978 | S | 23.1 | Very low | 25.2 | Very low | 79 Ų | 79 | 134.1 Ų | 134.1 | 55% | 0.552 | 71% | 0.712 | S | S | * | * | 70.4 | 153.3 | 69.2 | 80.7 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1979 | D | 24.5 | Very low | 25.4 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 65% | 0.652 | 72% | 0.717 | S | S | * | * | trans | 67.5 | 113.2 | 151.3 | -54.5 | -35.9 | 0 | 0 | 0 | 120.2 | ||||
| 1980 | F | 24.5 | Very low | 25.4 | Very low | 169 Ų | 169 | 127 Ų | 127 | 74% | 0.741 | 71% | 0.711 | S | S | * | * | trans | 65.4 | 165.4 | 149.2 | -58.6 | -58.3 | 0 | 0 | 0 | 117 | ||||
| 1981 | E | 25 | Very low | 25.4 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | cis | -140.8 | 131.8 | 2.8 | -142 | 140.2 | -146.1 | 0 | 0 | 110.9 | ||||
| 1982 | N | 23.9 | Very low | 25.4 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | 26 | 163.6 | 128.3 | -60.2 | -45.5 | 0 | 0 | 0 | 123.3 | |||||
| 1983 | T | 24.2 | Very low | 25.4 | Very low | 130 Ų | 130 | 130.1 Ų | 130.1 | 80% | 0.798 | 71% | 0.713 | S | S | * | * | trans | 79.6 | 158.9 | 143.7 | 28.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1984 | A | 24.2 | Very low | 25.4 | Very low | 75 Ų | 75 | 128 Ų | 128 | 62% | 0.62 | 71% | 0.705 | S | S | * | * | trans | 64.1 | 84.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1985 | E | 23.7 | Very low | 25.5 | Very low | 179 Ų | 179 | 130.9 Ų | 130.9 | 84% | 0.836 | 71% | 0.709 | S | S | * | * | 70.9 | 172.1 | 68.3 | -60.4 | 175.4 | 116 | 0 | 0 | 114.5 | |||||
| 1986 | T | 25.8 | Very low | 25.4 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 63% | 0.632 | 71% | 0.713 | S | S | * | * | trans | 93.4 | 81.5 | 155.2 | -35 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1987 | Q | 25.3 | Very low | 25.4 | Very low | 170 Ų | 170 | 132.1 Ų | 132.1 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | trans | 75.4 | 112.1 | 130.8 | -62.8 | 169.7 | 17.2 | 0 | 0 | 119.9 | ||||
| 1988 | L | 31.2 | Very low | 25.4 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 71% | 0.712 | S | S | * | * | -1.5 | 135 | 116 | -79.3 | 152 | 0 | 0 | 0 | 115.1 | T1990 | L1988-T1990 HydrophobicContact CD2-CG2 4.36Š| |||
| 1989 | P | 29.9 | Very low | 25.3 | Very low | 117 Ų | 117 | 131.8 Ų | 131.8 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | -149.4 | 174.2 | 80.9 | 39.2 | -23.3 | 0 | 0 | 0 | 114.5 | |||||
| 1990 | T | 25.1 | Very low | 25.3 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 56% | 0.558 | 71% | 0.709 | S | S | * | * | cis | -167 | 178.3 | -36.6 | 42.7 | 0 | 0 | 0 | 0 | 105.7 | L1988 | L1988-T1990 HydrophobicContact CD2-CG2 4.36Š| ||
| 1991 | D | 25.6 | Very low | 25.3 | Very low | 124 Ų | 124 | 128.9 Ų | 128.9 | 66% | 0.663 | 71% | 0.708 | S | S | * | * | trans | 65.4 | 108.1 | 149.5 | -50.9 | -35.1 | 0 | 0 | 0 | 119.6 | ||||
| 1992 | D | 24.6 | Very low | 25.3 | Very low | 136 Ų | 136 | 127 Ų | 127 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | 34.5 | 117 | 104.9 | -60.8 | 0.7 | 0 | 0 | 0 | 117.6 | |||||
| 1993 | S | 26.3 | Very low | 25.4 | Very low | 111 Ų | 111 | 127 Ų | 127 | 78% | 0.776 | 70% | 0.702 | S | S | * | * | -175.5 | 104.8 | 100.5 | -82 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1994 | V | 26 | Very low | 25.4 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 63% | 0.63 | 69% | 0.691 | S | S | * | * | 49.6 | 124.6 | 101.8 | 175.7 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1995 | R | 25.8 | Very low | 25.4 | Very low | 217 Ų | 217 | 125.3 Ų | 125.3 | 82% | 0.819 | 70% | 0.696 | S | S | * | * | trans | 80.9 | 118.9 | 159.3 | -76.1 | 162.2 | -164.5 | 169.2 | 4.2 | 116.6 | ||||
| 1996 | T | 24.7 | Very low | 25.5 | Very low | 121 Ų | 121 | 122.9 Ų | 122.9 | 74% | 0.742 | 69% | 0.688 | S | S | * | * | 77.8 | 168.3 | 68.6 | -56.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1997 | I | 25.1 | Very low | 25.4 | Very low | 149 Ų | 149 | 124.9 Ų | 124.9 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | trans | 76.8 | 111.8 | -176.1 | -49.2 | 177.6 | 0 | 0 | 0 | 110.8 | ||||
| 1998 | L | 24.1 | Very low | 25.6 | Very low | 140 Ų | 140 | 123.2 Ų | 123.2 | 73% | 0.733 | 68% | 0.68 | S | S | * | * | cis | 168.4 | -174.9 | -9.9 | -115.9 | 161.5 | 0 | 0 | 0 | 103.5 | ||||
| 1999 | S | 22.3 | Very low | 25.4 | Very low | 86 Ų | 86 | 125.3 Ų | 125.3 | 60% | 0.601 | 68% | 0.678 | S | S | * | * | trans | 55.8 | 88.9 | 142.5 | -68.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2000 | S | 23.6 | Very low | 25.2 | Very low | 78 Ų | 78 | 125.8 Ų | 125.8 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | 76.1 | 175.8 | 103 | 71 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 2001 | E | 25.3 | Very low | 25.4 | Very low | 152 Ų | 152 | 128.2 Ų | 128.2 | 71% | 0.71 | 68% | 0.683 | S | S | * | * | trans | 71.4 | 113.7 | 155.6 | -76.5 | -175 | -164.3 | 0 | 0 | 117.2 | ||||
| 2002 | N | 25.7 | Very low | 25.5 | Very low | 112 Ų | 112 | 127.4 Ų | 127.4 | 60% | 0.599 | 69% | 0.686 | S | S | * | * | 77.2 | 141 | 124.1 | -56.2 | -7.3 | 0 | 0 | 0 | 116.2 | |||||
| 2003 | D | 25.2 | Very low | 25.6 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 64% | 0.642 | 69% | 0.686 | S | S | * | * | cis | -156.6 | -160.3 | -6.4 | -145 | -71.7 | 0 | 0 | 0 | 108.5 | ||||
| 2004 | S | 23.1 | Very low | 25.7 | Very low | 80 Ų | 80 | 129.2 Ų | 129.2 | 56% | 0.559 | 69% | 0.685 | S | S | * | * | trans | -28.2 | 135.7 | 134.5 | 57.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2005 | A | 25.5 | Very low | 25.8 | Very low | 89 Ų | 89 | 131.4 Ų | 131.4 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | -161.4 | 119.1 | 99.3 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 2006 | I | 24.7 | Very low | 25.9 | Very low | 129 Ų | 129 | 128 Ų | 128 | 66% | 0.662 | 69% | 0.69 | S | S | * | * | 82.9 | 129.1 | 69 | -71.3 | 163.5 | 0 | 0 | 0 | 112.4 | |||||
| 2007 | E | 24.4 | Very low | 26.3 | Very low | 144 Ų | 144 | 127.5 Ų | 127.5 | 67% | 0.673 | 69% | 0.689 | S | S | * | * | trans | 57.8 | 115.6 | 162.6 | -79 | 177.6 | -175.7 | 0 | 0 | 119.5 | ||||
| 2008 | K | 28.4 | Very low | 26.3 | Very low | 136 Ų | 136 | 125.7 Ų | 125.7 | 59% | 0.591 | 68% | 0.681 | S | S | * | * | 169.6 | 135.2 | 106.9 | -86.1 | 137.2 | -151.9 | 91.3 | 0 | 109.6 | |||||
| 2009 | R | 27.5 | Very low | 26.6 | Very low | 195 Ų | 195 | 127.1 Ų | 127.1 | 74% | 0.736 | 68% | 0.683 | S | S | * | * | cis | -158.6 | 127.1 | -2 | -116.4 | 164.7 | -171.9 | 137.2 | 2.7 | 111 | ||||
| 2010 | N | 27 | Very low | 26.9 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 68% | 0.679 | 69% | 0.686 | S | S | * | * | 54.5 | 149.1 | 127.5 | -55.5 | 21.8 | 0 | 0 | 0 | 123.1 | |||||
| 2011 | N | 28.7 | Very low | 27.1 | Very low | 143 Ų | 143 | 130.1 Ų | 130.1 | 77% | 0.765 | 70% | 0.698 | S | S | * | * | trans | 76.3 | 135 | 154.5 | -59.3 | -12.9 | 0 | 0 | 0 | 116.9 | ||||
| 2012 | C | 28.5 | Very low | 27.2 | Very low | 106 Ų | 106 | 127.9 Ų | 127.9 | 72% | 0.716 | 70% | 0.695 | S | S | * | * | cis | -138.3 | 132.2 | -1.1 | -91.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2013 | L | 26.1 | Very low | 27.3 | Very low | 140 Ų | 140 | 129.9 Ų | 129.9 | 73% | 0.733 | 71% | 0.705 | S | S | * | * | 85.2 | 113.5 | 67.8 | -102.3 | 171 | 0 | 0 | 0 | 114.4 | |||||
| 2014 | I | 28.4 | Very low | 27.3 | Very low | 146 Ų | 146 | 127.8 Ų | 127.8 | 75% | 0.749 | 70% | 0.7 | S | S | * | * | 158.8 | 112.3 | 129.4 | -81.6 | 157.1 | 0 | 0 | 0 | 113.5 | |||||
| 2015 | N | 28.4 | Very low | 27.5 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 71% | 0.705 | S | S | * | * | trans | 71.1 | 108.6 | 146.5 | -60.7 | 3.4 | 0 | 0 | 0 | 125.4 | ||||
| 2016 | L | 28.2 | Very low | 27.8 | Very low | 145 Ų | 145 | 131.4 Ų | 131.4 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | trans | -47.7 | 173 | 142.3 | -92.4 | 69.7 | 0 | 0 | 0 | 114.5 | ||||
| 2017 | P | 32 | Very low | 28 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 72% | 0.721 | 70% | 0.7 | S | S | * | * | cis | -157 | 151.9 | 42.1 | 42.2 | -19.1 | 0 | 0 | 0 | 123.3 | ||||
| 2018 | N | 25.7 | Very low | 28.3 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 59% | 0.594 | 70% | 0.697 | S | S | * | * | 45.8 | 149.9 | 128.1 | -49.2 | -4 | 0 | 0 | 0 | 126.3 | |||||
| 2019 | H | 30.7 | Very low | 28.5 | Very low | 170 Ų | 170 | 130.3 Ų | 130.3 | 79% | 0.787 | 70% | 0.7 | S | S | * | * | trans | 84.7 | 118.8 | 156.9 | -54.1 | -66.5 | 0 | 0 | 0 | 116.7 | ||||
| 2020 | A | 26.9 | Very low | 28.5 | Very low | 80 Ų | 80 | 125.9 Ų | 125.9 | 66% | 0.661 | 69% | 0.691 | S | S | * | * | cis | 101.4 | 153.1 | 26.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 2021 | N | 28 | Very low | 28.5 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 69% | 0.69 | S | S | * | * | trans | 78 | 142.3 | 168.4 | -63.4 | -15.6 | 0 | 0 | 0 | 117 | ||||
| 2022 | T | 27.7 | Very low | 28.4 | Very low | 105 Ų | 105 | 125.6 Ų | 125.6 | 64% | 0.644 | 68% | 0.681 | S | S | * | * | cis | -169.5 | 149.1 | -3.9 | 18.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2023 | L | 27.2 | Very low | 28.2 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 81% | 0.806 | 67% | 0.67 | S | S | * | * | trans | 56.8 | 154.1 | 144.6 | -85.9 | 81.8 | 0 | 0 | 0 | 120 | ||||
| 2024 | S | 26.4 | Very low | 28.1 | Very low | 77 Ų | 77 | 122.4 Ų | 122.4 | 54% | 0.538 | 66% | 0.66 | S | S | . | * | cis | -173.5 | -178.8 | -11 | 51.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2025 | T | 27.8 | Very low | 27.9 | Very low | 108 Ų | 108 | 119.8 Ų | 119.8 | 66% | 0.663 | 66% | 0.655 | S | S | * | * | trans | 67.7 | 138.3 | 145 | 46.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 2026 | I | 30.6 | Very low | 27.7 | Very low | 136 Ų | 136 | 118.7 Ų | 118.7 | 70% | 0.697 | 65% | 0.654 | S | S | * | * | cis | -133.2 | 124.5 | -2 | -108.8 | 144 | 0 | 0 | 0 | 107.9 | ||||
| 2027 | Q | 29.6 | Very low | 27.6 | Very low | 131 Ų | 131 | 120 Ų | 120 | 61% | 0.612 | 65% | 0.653 | S | S | * | * | 89.8 | 145.7 | 62.1 | -133.8 | -173 | -62.3 | 0 | 0 | 112.5 | |||||
| 2028 | N | 31.3 | Very low | 27.3 | Very low | 111 Ų | 111 | 121.7 Ų | 121.7 | 59% | 0.594 | 66% | 0.656 | S | S | * | * | trans | 86.4 | 136.5 | 160.9 | -54.6 | -18.6 | 0 | 0 | 0 | 118.4 | ||||
| 2029 | H | 31.7 | Very low | 27.2 | Very low | 144 Ų | 144 | 122.9 Ų | 122.9 | 67% | 0.667 | 66% | 0.662 | S | S | * | * | cis | 164.3 | 163 | -18.3 | -98.5 | -11.8 | 0 | 0 | 0 | 105.8 | ||||
| 2030 | L | 28.2 | Very low | 27 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 53% | 0.534 | 66% | 0.656 | S | S | . | * | cis | -160 | -160.7 | -3.5 | -122.1 | 164.8 | 0 | 0 | 0 | 108.9 | E2033 | L2030-E2033 HydrophobicContact CD2-CG 4.4Š| ||
| 2031 | Y | 27.5 | Very low | 27.1 | Very low | 170 Ų | 170 | 126 Ų | 126 | 67% | 0.667 | 66% | 0.664 | S | S | * | * | trans | 76.8 | 118.6 | 173 | -75.4 | -100.6 | 0 | 0 | 0 | 114.7 | L2202 | Y2031-L2202 HydrophobicContact CG-CD2 4.5Š| ||
| 2032 | V | 25.9 | Very low | 27.2 | Very low | 95 Ų | 95 | 123.6 Ų | 123.6 | 58% | 0.576 | 66% | 0.656 | S | S | * | * | cis | -136.6 | 112.8 | -3.6 | 177.4 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 2033 | E | 25 | Very low | 27 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 48% | 0.477 | 66% | 0.662 | S | S | . | * | 58.6 | 122.5 | 89.9 | -58.5 | 175.1 | 156.3 | 0 | 0 | 112.8 | H1613 L2030 | H1613-E2033 PolarHBondContact N-O 3.04Å; L2030-E2033 HydrophobicContact CD2-CG 4.4Å | |||
| 2034 | S | 23.2 | Very low | 26.9 | Very low | 76 Ų | 76 | 122.9 Ų | 122.9 | 53% | 0.531 | 65% | 0.65 | S | S | . | * | cis | 73.7 | 105.6 | 37.6 | 91.1 | 0 | 0 | 0 | 0 | 116.1 | H1612 | H1612-S2034 CarbonylContact O-C 3.59Å; H1612-S2034 WeakPolarHBondContact O-CA 3.45Å; H1612-S2034 PolarHBondContact O-N 3.26Å | ||
| 2035 | S | 24.2 | Very low | 26.9 | Very low | 92 Ų | 92 | 124.9 Ų | 124.9 | 64% | 0.643 | 65% | 0.654 | S | S | * | * | trans | 72.4 | 106.2 | 146.1 | -60.1 | 0 | 0 | 0 | 0 | 121.9 | H1612 | H1612-S2035 PolarHBondContact O-N 2.96Š| ||
| 2036 | T | 24.8 | Very low | 26.8 | Very low | 125 Ų | 125 | 126.9 Ų | 126.9 | 77% | 0.767 | 66% | 0.656 | S | S | * | * | -147.1 | 122.6 | 122.2 | 37.2 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 2037 | K | 25.8 | Very low | 26.5 | Very low | 173 Ų | 173 | 124.4 Ų | 124.4 | 75% | 0.752 | 65% | 0.651 | S | S | * | * | 54.7 | 112.6 | 69.8 | -72.9 | -177.1 | 178.5 | 170.3 | 0 | 113.7 | |||||
| 2038 | N | 24.9 | Very low | 26.3 | Very low | 147 Ų | 147 | 125.1 Ų | 125.1 | 79% | 0.786 | 66% | 0.657 | S | S | * | * | trans | 66.6 | 155.6 | 157.3 | -56.1 | -22.4 | 0 | 0 | 0 | 114.3 | ||||
| 2039 | L | 25 | Very low | 26 | Very low | 135 Ų | 135 | 124.9 Ų | 124.9 | 71% | 0.707 | 66% | 0.656 | S | S | * | * | cis | -148.6 | 166.3 | 3.4 | -155.7 | 58.2 | 0 | 0 | 0 | 108.3 | ||||
| 2040 | L | 25.6 | Very low | 25.8 | Very low | 127 Ų | 127 | 124.6 Ų | 124.6 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | trans | 24 | 126 | 150.3 | -89.8 | 48.5 | 0 | 0 | 0 | 118.8 | ||||
| 2041 | K | 29.9 | Very low | 25.8 | Very low | 190 Ų | 190 | 125.8 Ų | 125.8 | 83% | 0.826 | 66% | 0.662 | S | S | * | * | 55.6 | 146.5 | 89.4 | -71.6 | -169 | -179.9 | -178.3 | 0 | 114.6 | |||||
| 2042 | P | 29.5 | Very low | 25.7 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 62% | 0.617 | 66% | 0.659 | S | S | * | * | cis | -134.4 | -164.1 | 17.6 | 33.8 | -10.6 | 0 | 0 | 0 | 112.8 | ||||
| 2043 | Q | 24.1 | Very low | 25.7 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 78% | 0.78 | 67% | 0.671 | S | S | * | * | trans | 43.2 | 139.8 | 131.8 | -75.5 | 160.1 | -36.5 | 0 | 0 | 121.1 | ||||
| 2044 | S | 24.8 | Very low | 25.8 | Very low | 78 Ų | 78 | 127.1 Ų | 127.1 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | cis | -176.5 | -161.1 | -8.8 | 45.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2045 | D | 24.9 | Very low | 25.9 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 63% | 0.631 | 68% | 0.683 | S | S | * | * | trans | 48.2 | 122.5 | 133.4 | -58.2 | -34.1 | 0 | 0 | 0 | 118.7 | ||||
| 2046 | Q | 25.8 | Very low | 26 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 70% | 0.701 | 68% | 0.683 | S | S | * | * | cis | -164.1 | 172.7 | 8.7 | -128.4 | 153.9 | 43.4 | 0 | 0 | 111.6 | ||||
| 2047 | S | 24.7 | Very low | 26.1 | Very low | 84 Ų | 84 | 133.7 Ų | 133.7 | 59% | 0.587 | 68% | 0.683 | S | S | * | * | trans | -37.7 | 144 | 147.9 | 52.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 2048 | I | 26.6 | Very low | 26 | Very low | 147 Ų | 147 | 131.5 Ų | 131.5 | 75% | 0.754 | 68% | 0.678 | S | S | * | * | -164.4 | 104.5 | 108.5 | -95.3 | 149.6 | 0 | 0 | 0 | 104.4 | |||||
| 2049 | D | 24.3 | Very low | 25.9 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 57% | 0.567 | 67% | 0.672 | S | S | * | * | 64.6 | 109.1 | 69.1 | -167.4 | 24.7 | 0 | 0 | 0 | 111.1 | Q2051 | D2049-Q2051 VanDerWaalsContact CG-NE2 3.33Å; D2049-Q2051 WeakPolarHBondContact OD1-CG 3.48Å; D2049-Q2051 PolarHBondContact OD1-NE2 3.37Å; D2049-Q2051 PolarHBondContact OD2-NE2 3.31Å | |||
| 2050 | L | 27.9 | Very low | 25.9 | Very low | 138 Ų | 138 | 129.6 Ų | 129.6 | 72% | 0.723 | 67% | 0.673 | S | S | * | * | trans | 164.1 | 101.6 | 158.9 | -90.4 | 163.1 | 0 | 0 | 0 | 102.1 | ||||
| 2051 | Q | 27.2 | Very low | 25.8 | Very low | 127 Ų | 127 | 127.7 Ų | 127.7 | 59% | 0.593 | 67% | 0.67 | S | S | * | * | 49.7 | 129.3 | 66 | -42.4 | 172.3 | 31.5 | 0 | 0 | 109.2 | D2049 | D2049-Q2051 VanDerWaalsContact CG-NE2 3.33Å; D2049-Q2051 WeakPolarHBondContact OD1-CG 3.48Å; D2049-Q2051 PolarHBondContact OD1-NE2 3.37Å; D2049-Q2051 PolarHBondContact OD2-NE2 3.31Å | |||
| 2052 | L | 26.4 | Very low | 25.5 | Very low | 118 Ų | 118 | 124.6 Ų | 124.6 | 62% | 0.618 | 66% | 0.663 | S | S | * | * | -154.9 | 140.2 | 50.2 | -72.7 | 155.3 | 0 | 0 | 0 | 110.5 | |||||
| 2053 | Y | 25.2 | Very low | 25.2 | Very low | 211 Ų | 211 | 126 Ų | 126 | 83% | 0.827 | 66% | 0.661 | S | S | * | * | trans | 69.8 | 153 | 137 | -77 | -133.3 | 0 | 0 | 0 | 117.6 | ||||
| 2054 | A | 27.4 | Very low | 25.4 | Very low | 65 Ų | 65 | 127.3 Ų | 127.3 | 54% | 0.537 | 66% | 0.659 | S | S | . | * | cis | -166.6 | 158.9 | -15.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 2055 | N | 25.4 | Very low | 25.4 | Very low | 133 Ų | 133 | 128 Ų | 128 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | trans | 23.1 | 115.9 | 132.3 | -36.6 | -27 | 0 | 0 | 0 | 115.6 | ||||
| 2056 | N | 26.7 | Very low | 25.3 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 65% | 0.647 | 67% | 0.673 | S | S | * | * | cis | -160.4 | 153.6 | 45.8 | -77.6 | -72.2 | 0 | 0 | 0 | 109.2 | ||||
| 2057 | K | 26 | Very low | 25.3 | Very low | 178 Ų | 178 | 130.4 Ų | 130.4 | 77% | 0.774 | 67% | 0.673 | S | S | * | * | cis | 69 | 153.6 | 42.2 | -160.9 | -157.7 | 178.2 | -177.3 | 0 | 111.2 | ||||
| 2058 | I | 24.1 | Very low | 25.3 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 65% | 0.646 | 68% | 0.678 | S | S | * | * | trans | 76 | 129.1 | 168.9 | -56.9 | 166.8 | 0 | 0 | 0 | 114.4 | ||||
| 2059 | T | 23 | Very low | 25.1 | Very low | 106 Ų | 106 | 129.1 Ų | 129.1 | 65% | 0.65 | 68% | 0.676 | S | S | * | * | cis | -173.6 | 164.8 | -20.6 | 37.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 2060 | N | 24.1 | Very low | 25.1 | Very low | 136 Ų | 136 | 135 Ų | 135 | 73% | 0.727 | 69% | 0.691 | S | S | * | * | trans | 66.7 | 112.1 | 152.1 | -63 | -1.7 | 0 | 0 | 0 | 116.3 | ||||
| 2061 | S | 23.9 | Very low | 24.9 | Very low | 87 Ų | 87 | 132.2 Ų | 132.2 | 61% | 0.608 | 69% | 0.689 | S | S | * | * | 75.8 | 148.1 | 56 | 86 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 2062 | N | 23.5 | Very low | 25 | Very low | 125 Ų | 125 | 132.1 Ų | 132.1 | 67% | 0.668 | 70% | 0.697 | S | S | * | * | trans | 76.9 | 139.8 | 167.5 | -64.8 | 31.7 | 0 | 0 | 0 | 115.6 | ||||
| 2063 | E | 24.5 | Very low | 24.8 | Very low | 126 Ų | 126 | 133 Ų | 133 | 59% | 0.589 | 70% | 0.702 | S | S | * | * | cis | -159.8 | 139.6 | 2.6 | -123.8 | 170.6 | 128.2 | 0 | 0 | 116.1 | ||||
| 2064 | R | 26.5 | Very low | 25 | Very low | 193 Ų | 193 | 128.4 Ų | 128.4 | 73% | 0.728 | 69% | 0.687 | S | S | * | * | trans | 50.4 | 107.5 | 131.6 | -80.7 | 179.4 | 178 | 139 | -6.2 | 121.5 | ||||
| 2065 | S | 25.4 | Very low | 25 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | 43.2 | 125 | 105.8 | 73.7 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 2066 | R | 23.9 | Very low | 25.1 | Very low | 221 Ų | 221 | 133.7 Ų | 133.7 | 83% | 0.834 | 69% | 0.69 | S | S | * | * | trans | -170.4 | 120.7 | 134.3 | -98.5 | 140.3 | 175.6 | 151.4 | -1 | 107 | ||||
| 2067 | S | 25.8 | Very low | 25 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 69% | 0.692 | 70% | 0.701 | S | S | * | * | 80.2 | 139.7 | 52.4 | 80.7 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 2068 | S | 23 | Very low | 25 | Very low | 101 Ų | 101 | 133 Ų | 133 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | trans | 86 | 116.6 | 160 | 87.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 2069 | C | 22.5 | Very low | 25.1 | Very low | 103 Ų | 103 | 131 Ų | 131 | 70% | 0.696 | 69% | 0.686 | S | S | * | * | trans | 72.1 | 146.8 | 135.2 | -57.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 2070 | Y | 24 | Very low | 25.3 | Very low | 228 Ų | 228 | 131.9 Ų | 131.9 | 89% | 0.894 | 69% | 0.693 | S | S | * | * | trans | 66.6 | 143.1 | 172.9 | -54.8 | -77.6 | 0 | 0 | 0 | 115.3 | ||||
| 2071 | A | 23.7 | Very low | 25.3 | Very low | 81 Ų | 81 | 129.6 Ų | 129.6 | 67% | 0.669 | 68% | 0.68 | S | S | * | * | cis | -158.2 | 169.9 | -20.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | L2073 | A2071-L2073 PolarHBondContact O-N 3.39Š| ||
| 2072 | T | 29.2 | Very low | 25.7 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 77% | 0.767 | 68% | 0.679 | S | S | * | * | trans | -56.6 | 129 | 152 | -47.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2073 | L | 23.5 | Very low | 25.6 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 72% | 0.717 | 68% | 0.678 | S | S | * | * | trans | 162.2 | 113.7 | 152.7 | -87.7 | 159 | 0 | 0 | 0 | 105.2 | A2071 | A2071-L2073 PolarHBondContact O-N 3.39Š| ||
| 2074 | H | 29.1 | Very low | 25.6 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 53% | 0.528 | 69% | 0.685 | S | S | . | * | 62 | 128.9 | 95.4 | -64.9 | -165.2 | 0 | 0 | 0 | 111.8 | R2076 | H2074-R2076 HydrophobicContact CB-CB 4.13Å; H2074-R2076 WeakPolarHBondContact CE1-CD 3.4Å; H2074-R2076 PolarHBondContact CE1-NH1 3.05Å; H2074-R2076 WeakPolarHBondContact ND1-CD 3.12Å; H2074-R2076 WeakPolarHBondContact NE2-CD 3.47Å; H2074-R2076 PolarHBondContact NE2-NH1 3.49Å; H2074-R2076 VanDerWaalsContact NE2-NH1 3.17Å | |||
| 2075 | E | 27.8 | Very low | 25.5 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 77% | 0.766 | 69% | 0.687 | S | S | * | * | cis | -102.9 | 142.3 | 25.7 | -63.7 | 160.6 | 153.8 | 0 | 0 | 112.7 | ||||
| 2076 | R | 26.4 | Very low | 25.7 | Very low | 145 Ų | 145 | 133.1 Ų | 133.1 | 55% | 0.547 | 69% | 0.689 | S | S | . | * | cis | 77.5 | 65.9 | 9.5 | -156.5 | 176.7 | 177.8 | 128.9 | 12.1 | 116.9 | H2074 E2078 | H2074-R2076 HydrophobicContact CB-CB 4.13Å; H2074-R2076 WeakPolarHBondContact CE1-CD 3.4Å; H2074-R2076 PolarHBondContact CE1-NH1 3.05Å; H2074-R2076 WeakPolarHBondContact ND1-CD 3.12Å; H2074-R2076 WeakPolarHBondContact NE2-CD 3.47Å; H2074-R2076 PolarHBondContact NE2-NH1 3.49Å; H2074-R2076 VanDerWaalsContact NE2-NH1 3.17Å; R2076-E2078 HydrophobicContact CG-CG 3.51Å; R2076-E2078 IonicContact CZ-OE1 2.79Å; R2076-E2078 IonicContact NE-OE1 3.99Å; R2076-E2078 PolarHBondContact NE-OE1 2.89Å; R2076-E2078 IonicContact NH2-OE1 2.73Å; R2076-E2078 PolarHBondContact NH2-OE1 2.9Å | ||
| 2077 | L | 26.2 | Very low | 25.8 | Very low | 164 Ų | 164 | 126.4 Ų | 126.4 | 86% | 0.859 | 68% | 0.681 | S | S | * | * | trans | -119.2 | 93.6 | 134 | -70.8 | 174 | 0 | 0 | 0 | 105.5 | ||||
| 2078 | E | 24.5 | Very low | 25.8 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 57% | 0.565 | 68% | 0.676 | S | S | * | * | 75.7 | 143.4 | 68.8 | -59.3 | -136.6 | 126.6 | 0 | 0 | 112.7 | R2076 | R2076-E2078 HydrophobicContact CG-CG 3.51Å; R2076-E2078 IonicContact CZ-OE1 2.79Å; R2076-E2078 IonicContact NE-OE1 3.99Å; R2076-E2078 PolarHBondContact NE-OE1 2.89Å; R2076-E2078 IonicContact NH2-OE1 2.73Å; R2076-E2078 PolarHBondContact NH2-OE1 2.9Å | |||
| 2079 | P | 26 | Very low | 26 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 55% | 0.545 | 68% | 0.682 | S | S | . | * | trans | -94.6 | 167.4 | -146.4 | 38.3 | -37.8 | 0 | 0 | 0 | 113.5 | I2081 | P2079-I2081 HydrophobicContact CB-CB 3.84Å; P2079-I2081 HydrophobicContact CB-CD1 4Å; P2079-I2081 HydrophobicContact CB-CG1 3.83Å; P2079-I2081 HydrophobicContact CG-CB 3.93Å; P2079-I2081 HydrophobicContact CG-CD1 3.91Å; P2079-I2081 HydrophobicContact CG-CG1 4.12Å | ||
| 2080 | P | 28.6 | Very low | 26 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 69% | 0.686 | S | S | * | * | -131.9 | 123 | 116.1 | 33.3 | -23.6 | 0 | 0 | 0 | 110.9 | |||||
| 2081 | I | 24.2 | Very low | 26.1 | Very low | 87 Ų | 87 | 130.2 Ų | 130.2 | 45% | 0.446 | 68% | 0.682 | S | S | . | * | cis | 45.8 | 92.4 | 25.6 | -64.6 | -172.5 | 0 | 0 | 0 | 110.5 | P2079 I2083 | P2079-I2081 HydrophobicContact CB-CB 3.84Å; P2079-I2081 HydrophobicContact CB-CD1 4Å; P2079-I2081 HydrophobicContact CB-CG1 3.83Å; P2079-I2081 HydrophobicContact CG-CB 3.93Å; P2079-I2081 HydrophobicContact CG-CD1 3.91Å; P2079-I2081 HydrophobicContact CG-CG1 4.12Å; I2081-I2083 HydrophobicContact CG2-CD1 4.4Å | ||
| 2082 | H | 30.4 | Very low | 26.1 | Very low | 127 Ų | 127 | 133.8 Ų | 133.8 | 59% | 0.588 | 69% | 0.689 | S | S | * | * | 50.5 | 118 | 99.1 | -116.9 | -61.2 | 0 | 0 | 0 | 111.5 | |||||
| 2083 | I | 23.3 | Very low | 25.9 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 66% | 0.662 | 68% | 0.684 | S | S | * | * | 161.8 | 112.1 | 121.2 | -85.2 | 150.3 | 0 | 0 | 0 | 112 | I2081 | I2081-I2083 HydrophobicContact CG2-CD1 4.4Š| |||
| 2084 | Y | 23.7 | Very low | 25.9 | Very low | 187 Ų | 187 | 133.6 Ų | 133.6 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | trans | 61.3 | 173.2 | 142.7 | -68.4 | -108.3 | 0 | 0 | 0 | 116 | ||||
| 2085 | D | 23.3 | Very low | 25.8 | Very low | 144 Ų | 144 | 132.6 Ų | 132.6 | 77% | 0.77 | 69% | 0.686 | S | S | * | * | cis | -134.2 | 169.7 | 11.6 | -141.5 | -19.3 | 0 | 0 | 0 | 115.8 | ||||
| 2086 | T | 29.7 | Very low | 25.7 | Very low | 110 Ų | 110 | 127.9 Ų | 127.9 | 68% | 0.675 | 67% | 0.666 | S | S | * | * | trans | -103.9 | 165.2 | -169.5 | -32.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2087 | A | 26.2 | Very low | 25.8 | Very low | 81 Ų | 81 | 125.3 Ų | 125.3 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | trans | 75.3 | 157 | 168.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 2088 | H | 25.5 | Very low | 26 | Very low | 129 Ų | 129 | 122.4 Ų | 122.4 | 60% | 0.597 | 65% | 0.645 | S | S | * | * | cis | -114 | 154.7 | 14.3 | -73.2 | -50.8 | 0 | 0 | 0 | 116.1 | ||||
| 2089 | N | 28.4 | Very low | 26.2 | Very low | 153 Ų | 153 | 121.8 Ų | 121.8 | 82% | 0.818 | 64% | 0.64 | S | S | * | * | trans | -61.6 | 146.2 | 149.6 | -78.4 | -48.7 | 0 | 0 | 0 | 109.7 | ||||
| 2090 | I | 23 | Very low | 26.4 | Very low | 151 Ų | 151 | 119.4 Ų | 119.4 | 77% | 0.774 | 63% | 0.626 | S | S | * | * | 177.3 | 91 | 122.8 | -87 | 151.4 | 0 | 0 | 0 | 109.8 | I2092 | I2090-I2092 PolarHBondContact O-N 3.06Š| |||
| 2091 | Q | 25.9 | Very low | 26.3 | Very low | 177 Ų | 177 | 119.5 Ų | 119.5 | 83% | 0.827 | 62% | 0.619 | S | S | * | * | 27.2 | 91.5 | 124.6 | -169.6 | -177.6 | 21.3 | 0 | 0 | 118.3 | |||||
| 2092 | I | 23.8 | Very low | 26.5 | Very low | 157 Ų | 157 | 122.2 Ų | 122.2 | 81% | 0.805 | 63% | 0.634 | S | S | * | * | trans | -133.7 | 129.6 | 148.9 | -59.2 | -175.3 | 0 | 0 | 0 | 110.5 | I2090 | I2090-I2092 PolarHBondContact O-N 3.06Š| ||
| 2093 | N | 23.8 | Very low | 26.2 | Very low | 123 Ų | 123 | 120.4 Ų | 120.4 | 66% | 0.658 | 64% | 0.636 | S | S | * | * | trans | -54.6 | 147 | 174.7 | -36.8 | -69.2 | 0 | 0 | 0 | 111.5 | ||||
| 2094 | N | 24.5 | Very low | 26.3 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 72% | 0.722 | 64% | 0.644 | S | S | * | * | -175.8 | 134.4 | 65.6 | -105.3 | -46.8 | 0 | 0 | 0 | 113.5 | |||||
| 2095 | T | 25.6 | Very low | 26.9 | Very low | 92 Ų | 92 | 117.9 Ų | 117.9 | 56% | 0.564 | 64% | 0.642 | S | S | * | * | trans | 28 | 144.5 | 130.5 | 61.6 | 0 | 0 | 0 | 0 | 123 | ||||
| 2096 | N | 27.2 | Very low | 26.9 | Very low | 65 Ų | 65 | 115.8 Ų | 115.8 | 35% | 0.348 | 64% | 0.639 | S | S | . | * | trans | 116 | 81 | 144.9 | -49.6 | -52.7 | 0 | 0 | 0 | 119.5 | V470 Q471 | V470-N2096 HydrophobicContact CG1-CB 4.35Å; Q471-N2096 WeakPolarHBondContact CA-OD1 3.28Å; Q471-N2096 PolarHBondContact N-OD1 3.48Å | ||
| 2097 | D | 27.5 | Very low | 26.6 | Very low | 91 Ų | 91 | 116.7 Ų | 116.7 | 49% | 0.487 | 64% | 0.639 | S | S | . | * | 62.8 | 129.7 | 108.3 | -52.3 | -27.6 | 0 | 0 | 0 | 124 | V470 | V470-D2097 WeakPolarHBondContact CA-OD2 3.3Å; V470-D2097 HydrophobicContact CB-CB 4.29Å; V470-D2097 HydrophobicContact CG2-CB 3.7Å; V470-D2097 VanDerWaalsContact CG2-O 3.23Å; V470-D2097 WeakPolarHBondContact CG2-O 3.2Å; V470-D2097 VanDerWaalsContact N-CB 3.27Å; V470-D2097 PolarHBondContact N-OD2 3.21Å | |||
| 2098 | H | 30.8 | Very low | 26.5 | Very low | 104 Ų | 104 | 119.7 Ų | 119.7 | 48% | 0.481 | 64% | 0.64 | S | S | . | * | 85.7 | 98.4 | 122 | -78.9 | -5.8 | 0 | 0 | 0 | 124.1 | A469 | A469-H2098 PolarHBondContact O-CD2 3.45Š| |||
| 2099 | K | 29.2 | Very low | 26.5 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 47% | 0.465 | 65% | 0.649 | S | S | . | * | 90.5 | 138.1 | 94 | -148.6 | -176.5 | -159.6 | 160.3 | 0 | 119.6 | I467 | I467-K2099 WeakPolarHBondContact O-CD 3.32Å; I467-K2099 VanDerWaalsContact O-CE 3.24Å; I467-K2099 WeakPolarHBondContact O-CE 3.42Å; I467-K2099 PolarHBondContact O-NZ 3.2Å | |||
| 2100 | S | 29.2 | Very low | 26.3 | Very low | 35 Ų | 35 | 119.4 Ų | 119.4 | 25% | 0.245 | 64% | 0.641 | C | S | . | * | trans | 71.3 | 119.4 | 145.7 | 47 | 0 | 0 | 0 | 0 | 119.5 | R468 | R468-S2100 WeakPolarHBondContact CG-OG 3.44Å; R468-S2100 PolarHBondContact NE-OG 2.72Å; R468-S2100 PolarHBondContact NH2-O 3.41Å | ||
| 2101 | D | 27.6 | Very low | 26.4 | Very low | 125 Ų | 125 | 116.2 Ų | 116.2 | 67% | 0.668 | 63% | 0.628 | S | S | * | * | 58.5 | 128.6 | 113.1 | -36.6 | -30.4 | 0 | 0 | 0 | 121.1 | R468 | R468-D2101 PolarHBondContact NH2-O 2.96Š| |||
| 2102 | L | 27.5 | Very low | 26.5 | Very low | 144 Ų | 144 | 110.7 Ų | 110.7 | 75% | 0.754 | 60% | 0.604 | S | S | * | * | 162.8 | 102.3 | 124 | -83.2 | 159.5 | 0 | 0 | 0 | 106.5 | |||||
| 2103 | S | 24.1 | Very low | 26.7 | Very low | 89 Ų | 89 | 107.7 Ų | 107.7 | 62% | 0.622 | 59% | 0.589 | S | S | * | * | 98.1 | 141.7 | 56.1 | 67.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 2104 | N | 25.9 | Very low | 26.9 | Very low | 156 Ų | 156 | 104.7 Ų | 104.7 | 83% | 0.834 | 57% | 0.573 | S | S | * | * | trans | 74 | 156 | 155.5 | -91 | 2.5 | 0 | 0 | 0 | 118.2 | ||||
| 2105 | P | 35.6 | Very low | 27.3 | Very low | 108 Ų | 108 | 101.8 Ų | 101.8 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | -139.6 | -141.8 | -121 | 43.6 | -23.3 | 0 | 0 | 0 | 112.5 | |||||
| 2106 | S | 23 | Very low | 27.4 | Very low | 99 Ų | 99 | 103.1 Ų | 103.1 | 69% | 0.692 | 57% | 0.566 | S | S | * | * | trans | 89.8 | 145.5 | 163.5 | 79 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 2107 | N | 24.2 | Very low | 27.6 | Very low | 129 Ų | 129 | 109.5 Ų | 109.5 | 69% | 0.69 | 59% | 0.586 | S | S | * | * | trans | 69.2 | 149 | 158.7 | -70.4 | 19.4 | 0 | 0 | 0 | 121.3 | ||||
| 2108 | E | 25.3 | Very low | 28.2 | Very low | 145 Ų | 145 | 110.1 Ų | 110.1 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | trans | 59.4 | 101.1 | 148.8 | -73.3 | 149.6 | -124.8 | 0 | 0 | 118.2 | ||||
| 2109 | Q | 23.6 | Very low | 28.2 | Very low | 169 Ų | 169 | 109.1 Ų | 109.1 | 79% | 0.79 | 61% | 0.605 | S | S | * | * | 100.5 | 128.6 | 71 | -92.9 | -173.7 | 53.2 | 0 | 0 | 113.1 | |||||
| 2110 | V | 24.9 | Very low | 28.1 | Very low | 107 Ų | 107 | 108.6 Ų | 108.6 | 65% | 0.648 | 62% | 0.615 | S | S | * | * | trans | 82.3 | 84.7 | 132.9 | 176.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 2111 | T | 25.1 | Very low | 28.1 | Very low | 83 Ų | 83 | 116.5 Ų | 116.5 | 51% | 0.509 | 65% | 0.646 | S | S | . | * | 76.5 | 157.6 | 118.6 | 72.1 | 0 | 0 | 0 | 0 | 126.9 | |||||
| 2112 | L | 27.3 | Very low | 28.3 | Very low | 62 Ų | 62 | 114.3 Ų | 114.3 | 33% | 0.325 | 65% | 0.645 | S | S | . | * | 89 | 119.3 | 126.9 | -108.4 | 69 | 0 | 0 | 0 | 126.6 | P224 T226 | P224-L2112 VanDerWaalsContact CD-N 3.32Å; P224-L2112 WeakPolarHBondContact CD-O 3.34Å; T226-L2112 HydrophobicContact CG2-CD1 4.09Å; T226-L2112 HydrophobicContact CG2-CD2 4.3Å; T226-L2112 HydrophobicContact CG2-CG 3.92Å | |||
| 2113 | L | 29.8 | Very low | 28.6 | Very low | 94 Ų | 94 | 112.5 Ų | 112.5 | 49% | 0.492 | 64% | 0.641 | S | S | . | * | trans | 72.5 | 142.4 | 168 | -69.5 | 103.9 | 0 | 0 | 0 | 124.9 | H223 P224 N225 T226 | H223-L2113 CarbonylContact C-O 2.79Å; H223-L2113 VanDerWaalsContact O-O 3.11Å; P224-L2113 CarbonylContact C-O 3.51Å; P224-L2113 WeakPolarHBondContact CA-O 3.23Å; P224-L2113 CarbonylContact O-C 3.47Å; N225-L2113 VanDerWaalsContact C-N 3.27Å; N225-L2113 VanDerWaalsContact N-CA 3.25Å; N225-L2113 PolarHBondContact O-N 2.88Å; T226-L2113 HydrophobicContact CG2-CD1 4.04Å; T226-L2113 HydrophobicContact CG2-CG 4.05Å; T226-L2113 WeakPolarHBondContact OG1-CD2 3.27Å; T226-L2113 WeakPolarHBondContact OG1-CG 3.16Å | ||
| 2114 | D | 28.1 | Very low | 28.7 | Very low | 59 Ų | 59 | 116.4 Ų | 116.4 | 32% | 0.316 | 65% | 0.65 | S | S | . | * | cis | -172.1 | 175.9 | -31.2 | -157.9 | 9.4 | 0 | 0 | 0 | 112.1 | P224 T226 K2116 | P224-D2114 WeakPolarHBondContact O-CA 3.28Å; P224-D2114 PolarHBondContact O-N 3.33Å; T226-D2114 PolarHBondContact N-OD1 2.75Å; T226-D2114 VanDerWaalsContact O-OD2 3.08Å; T226-D2114 VanDerWaalsContact OG1-CG 3.23Å; T226-D2114 PolarHBondContact OG1-OD2 3.08Å; D2114-K2116 IonicContact OD1-NZ 3.92Å; D2114-K2116 IonicContact OD2-NZ 2.7Å; D2114-K2116 PolarHBondContact OD2-NZ 2.9Å | ||
| 2115 | A | 31 | Very low | 28.7 | Very low | 75 Ų | 75 | 116 Ų | 116 | 62% | 0.62 | 65% | 0.646 | S | S | * | * | 80.2 | 151.8 | 129.6 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 2116 | K | 28.2 | Very low | 28.2 | Very low | 119 Ų | 119 | 117.5 Ų | 117.5 | 52% | 0.517 | 65% | 0.649 | S | S | . | * | cis | -172.8 | 135.6 | -22.6 | -105.9 | -164.3 | 178.4 | 69.1 | 0 | 111.8 | T226 D2114 | T226-K2116 PolarHBondContact O-NZ 2.78Å; D2114-K2116 IonicContact OD1-NZ 3.92Å; D2114-K2116 IonicContact OD2-NZ 2.7Å; D2114-K2116 PolarHBondContact OD2-NZ 2.9Å | ||
| 2117 | Y | 32.6 | Very low | 28.2 | Very low | 199 Ų | 199 | 119.8 Ų | 119.8 | 78% | 0.78 | 65% | 0.651 | S | S | * | * | 72.8 | 169.3 | 129.9 | -80.9 | -139.2 | 0 | 0 | 0 | 121.3 | |||||
| 2118 | P | 38.5 | Very low | 28.1 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 68% | 0.675 | 66% | 0.655 | S | S | * | * | cis | -150.5 | 178.8 | -36.2 | 42.1 | -24.2 | 0 | 0 | 0 | 118.5 | ||||
| 2119 | A | 31.1 | Very low | 28.2 | Very low | 83 Ų | 83 | 121.1 Ų | 121.1 | 69% | 0.686 | 66% | 0.662 | S | S | * | * | trans | 62.9 | 114.6 | 134.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 2120 | S | 27.9 | Very low | 28 | Very low | 97 Ų | 97 | 118.6 Ų | 118.6 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | 113.8 | 158.4 | 92.5 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 2121 | F | 29.6 | Very low | 27.9 | Very low | 201 Ų | 201 | 119.2 Ų | 119.2 | 88% | 0.882 | 66% | 0.662 | S | S | * | * | cis | -144.4 | 166 | 21.1 | -113.7 | -85.8 | 0 | 0 | 0 | 111.8 | ||||
| 2122 | A | 31.4 | Very low | 27.9 | Very low | 79 Ų | 79 | 120.5 Ų | 120.5 | 65% | 0.653 | 67% | 0.671 | S | S | * | * | trans | -100.7 | -172.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 2123 | P | 32.8 | Very low | 27.8 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | cis | -151.5 | -163.8 | 12.2 | 45 | -22.7 | 0 | 0 | 0 | 117.7 | ||||
| 2124 | Q | 26.3 | Very low | 27.5 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 80% | 0.804 | 70% | 0.7 | S | S | * | * | trans | 81.9 | 157.8 | 145.4 | -84.1 | -176.1 | 22.5 | 0 | 0 | 122.9 | ||||
| 2125 | I | 26.2 | Very low | 27.3 | Very low | 147 Ų | 147 | 130 Ų | 130 | 75% | 0.754 | 72% | 0.722 | S | S | * | * | trans | 83.4 | 93.8 | 165.1 | -62.3 | 147.6 | 0 | 0 | 0 | 118.4 | ||||
| 2126 | N | 24.4 | Very low | 27.1 | Very low | 140 Ų | 140 | 132.7 Ų | 132.7 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | 46 | 141.6 | 111 | -124.5 | 10.3 | 0 | 0 | 0 | 122.1 | |||||
| 2127 | I | 23.6 | Very low | 26.9 | Very low | 146 Ų | 146 | 132.5 Ų | 132.5 | 75% | 0.749 | 74% | 0.738 | S | S | * | * | trans | 88.3 | 155.4 | 156.1 | -61.1 | 161.8 | 0 | 0 | 0 | 116.8 | ||||
| 2128 | T | 23.4 | Very low | 26.7 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 76% | 0.761 | 73% | 0.734 | S | S | * | * | trans | -69.6 | 172 | -160.9 | 54.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 2129 | Q | 25.5 | Very low | 26.2 | Very low | 178 Ų | 178 | 132.7 Ų | 132.7 | 83% | 0.832 | 74% | 0.742 | S | S | * | * | trans | -38.9 | 140.9 | 144 | -69.6 | 172.2 | -23.5 | 0 | 0 | 110 | ||||
| 2130 | T | 20.8 | Very low | 26.5 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 71% | 0.712 | 74% | 0.739 | S | S | * | * | -137.3 | 159.7 | 51.1 | 53.1 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 2131 | T | 22.7 | Very low | 26.4 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | trans | 78.1 | 138.4 | 146.2 | 38.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 2132 | T | 24.7 | Very low | 26.3 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 68% | 0.681 | 74% | 0.736 | S | S | * | * | trans | 75.3 | 94.5 | 147.3 | 47.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 2133 | E | 24.3 | Very low | 26.1 | Very low | 160 Ų | 160 | 136 Ų | 136 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | 72.5 | 155.8 | 113.2 | -69.9 | -177.1 | -176.6 | 0 | 0 | 122.8 | |||||
| 2134 | N | 25.3 | Very low | 25.7 | Very low | 127 Ų | 127 | 135.1 Ų | 135.1 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | trans | 76.4 | 101.4 | 159.6 | -59.7 | -51.7 | 0 | 0 | 0 | 116.6 | ||||
| 2135 | V | 24.2 | Very low | 25.6 | Very low | 128 Ų | 128 | 134 Ų | 134 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | 99.9 | 154.6 | 61.4 | 159.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 2136 | V | 25.1 | Very low | 25.6 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 79% | 0.788 | 73% | 0.73 | S | S | * | * | trans | 87 | 132.9 | 179.5 | -173.7 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2137 | V | 24.7 | Very low | 25.6 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 70% | 0.697 | 73% | 0.731 | S | S | * | * | cis | -169.6 | 167.9 | -26.5 | 78.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2138 | N | 27.9 | Very low | 25.7 | Very low | 131 Ų | 131 | 132.8 Ų | 132.8 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | 71.8 | 102.6 | 161.6 | -65.9 | -2.4 | 0 | 0 | 0 | 122.1 | ||||
| 2139 | Q | 28.2 | Very low | 25.8 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | 27.2 | 163.1 | 96.2 | -82.6 | -163.1 | -20.2 | 0 | 0 | 121.7 | |||||
| 2140 | P | 37.2 | Very low | 25.9 | Very low | 96 Ų | 96 | 131.8 Ų | 131.8 | 62% | 0.623 | 73% | 0.728 | S | S | * | * | cis | -143.6 | -145.9 | -31.1 | 37.5 | -14.8 | 0 | 0 | 0 | 113.5 | ||||
| 2141 | E | 27 | Very low | 26.1 | Very low | 166 Ų | 166 | 132.6 Ų | 132.6 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | 98.1 | 98.2 | 157.9 | -49.1 | -162.9 | 168.7 | 0 | 0 | 120.8 | ||||
| 2142 | D | 26.6 | Very low | 26.1 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 73% | 0.733 | 73% | 0.732 | S | S | * | * | 68 | 135.3 | 117.7 | -71.1 | 13.1 | 0 | 0 | 0 | 125.5 | |||||
| 2143 | T | 27.3 | Very low | 26.1 | Very low | 131 Ų | 131 | 139.5 Ų | 139.5 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | 68.5 | 149.4 | 148.6 | 60.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 2144 | S | 24.2 | Very low | 26.1 | Very low | 86 Ų | 86 | 136 Ų | 136 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | cis | -173.8 | 173.8 | -22 | 59.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 2145 | L | 24.9 | Very low | 25.9 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | 66 | 144.7 | 155.1 | -65 | 170.1 | 0 | 0 | 0 | 118 | ||||
| 2146 | T | 25.4 | Very low | 26 | Very low | 95 Ų | 95 | 136 Ų | 136 | 58% | 0.583 | 73% | 0.732 | S | S | * | * | cis | -169.5 | 162.9 | -31.1 | 7.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2147 | Q | 25.6 | Very low | 25.9 | Very low | 162 Ų | 162 | 132.5 Ų | 132.5 | 76% | 0.757 | 71% | 0.713 | S | S | * | * | trans | 71.3 | 161.1 | 142.9 | -73 | 159.6 | 7.6 | 0 | 0 | 121.5 | ||||
| 2148 | L | 24.6 | Very low | 25.8 | Very low | 149 Ų | 149 | 136 Ų | 136 | 78% | 0.78 | 72% | 0.72 | S | S | * | * | trans | 69.8 | 96.4 | 173.8 | -58.2 | 172.9 | 0 | 0 | 0 | 115.6 | ||||
| 2149 | Q | 25.1 | Very low | 25.7 | Very low | 158 Ų | 158 | 137.2 Ų | 137.2 | 74% | 0.738 | 73% | 0.725 | S | S | * | * | cis | 72.3 | 100.5 | 46.7 | -53.9 | 179.9 | -87.7 | 0 | 0 | 116.1 | ||||
| 2150 | T | 28.5 | Very low | 25.8 | Very low | 124 Ų | 124 | 133.2 Ų | 133.2 | 76% | 0.761 | 71% | 0.714 | S | S | * | * | trans | 20.9 | 113.3 | 130.8 | 57.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 2151 | T | 23.7 | Very low | 25.1 | Very low | 133 Ų | 133 | 135.6 Ų | 135.6 | 82% | 0.816 | 72% | 0.722 | S | S | * | * | -164.6 | 143.3 | 120.8 | 26.3 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 2152 | K | 24.3 | Very low | 25 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 72% | 0.722 | 72% | 0.716 | S | S | * | * | cis | 104 | 141.2 | 30.1 | -163.6 | 179.2 | -171.3 | -177.5 | 0 | 110.8 | ||||
| 2153 | Y | 23.7 | Very low | 24.9 | Very low | 209 Ų | 209 | 127.5 Ų | 127.5 | 82% | 0.82 | 70% | 0.695 | S | S | * | * | trans | 77.1 | 150.1 | -170.7 | -57.7 | -71.2 | 0 | 0 | 0 | 114.5 | ||||
| 2154 | A | 23.9 | Very low | 24.8 | Very low | 87 Ų | 87 | 125.5 Ų | 125.5 | 72% | 0.719 | 68% | 0.678 | S | S | * | * | cis | -145.1 | -179.8 | -6.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 2155 | D | 22.7 | Very low | 24.9 | Very low | 111 Ų | 111 | 125.8 Ų | 125.8 | 59% | 0.594 | 67% | 0.673 | S | S | * | * | trans | -53.6 | 152.9 | 166.2 | -55.3 | -88.6 | 0 | 0 | 0 | 113.1 | ||||
| 2156 | L | 24.7 | Very low | 25 | Very low | 144 Ų | 144 | 121.4 Ų | 121.4 | 75% | 0.754 | 66% | 0.655 | S | S | * | * | -168.6 | 112.8 | 129.2 | -101.6 | 164.2 | 0 | 0 | 0 | 109.8 | F2158 | L2156-F2158 HydrophobicContact CD2-CD2 3.68Å; L2156-F2158 HydrophobicContact CD2-CE2 3.56Å | |||
| 2157 | S | 24.3 | Very low | 25.4 | Very low | 57 Ų | 57 | 120.7 Ų | 120.7 | 40% | 0.399 | 65% | 0.652 | S | S | . | * | trans | -80 | 126.3 | 158.9 | 36.2 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 2158 | F | 22.9 | Very low | 25.4 | Very low | 189 Ų | 189 | 121.2 Ų | 121.2 | 83% | 0.829 | 66% | 0.659 | S | S | * | * | trans | -150.4 | 110.9 | 156.3 | -89.9 | -57.7 | 0 | 0 | 0 | 113.4 | L2156 | L2156-F2158 HydrophobicContact CD2-CD2 3.68Å; L2156-F2158 HydrophobicContact CD2-CE2 3.56Å | ||
| 2159 | L | 25.9 | Very low | 25.3 | Very low | 155 Ų | 155 | 118.2 Ų | 118.2 | 81% | 0.812 | 65% | 0.651 | S | S | * | * | trans | -63.1 | 171.7 | 144.8 | -73 | 161.1 | 0 | 0 | 0 | 110.5 | ||||
| 2160 | P | 29.6 | Very low | 25.3 | Very low | 93 Ų | 93 | 116.1 Ų | 116.1 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | cis | -136 | -160.2 | -27.4 | 32.5 | -10.8 | 0 | 0 | 0 | 111.3 | ||||
| 2161 | N | 22.8 | Very low | 25.2 | Very low | 147 Ų | 147 | 114.7 Ų | 114.7 | 79% | 0.786 | 64% | 0.638 | S | S | * | * | trans | 69.5 | 155.8 | 158.7 | -57.7 | -10.3 | 0 | 0 | 0 | 117 | ||||
| 2162 | S | 24.4 | Very low | 25.5 | Very low | 93 Ų | 93 | 112.4 Ų | 112.4 | 65% | 0.65 | 63% | 0.626 | S | S | * | * | cis | -167 | 146 | -25.7 | 51.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 2163 | S | 25 | Very low | 25.6 | Very low | 40 Ų | 40 | 111.1 Ų | 111.1 | 28% | 0.28 | 63% | 0.626 | S | S | . | * | trans | 57.5 | 121.9 | 139.2 | 68 | 0 | 0 | 0 | 0 | 123.6 | Y1777 D1778 A1779 | Y1777-S2163 WeakPolarHBondContact CB-OG 2.95Å; Y1777-S2163 WeakPolarHBondContact O-CB 2.99Å; D1778-S2163 CarbonylContact O-C 3.34Å; D1778-S2163 VanDerWaalsContact O-C 3.25Å; D1778-S2163 WeakPolarHBondContact O-CA 3.18Å; D1778-S2163 WeakPolarHBondContact O-CB 3.47Å; A1779-S2163 CarbonylContact O-C 3.11Å; A1779-S2163 WeakPolarHBondContact O-CA 3.45Å | ||
| 2164 | L | 24.9 | Very low | 25.5 | Very low | 88 Ų | 88 | 106 Ų | 106 | 46% | 0.461 | 61% | 0.612 | S | S | . | * | -157.6 | 106.2 | 129.1 | -106.8 | 162.2 | 0 | 0 | 0 | 116.7 | Y1777 D1778 A1779 T1780 | Y1777-L2164 HydrophobicContact CD1-CD2 3.77Å; Y1777-L2164 HydrophobicContact CD1-CG 3.98Å; Y1777-L2164 HydrophobicContact CE1-CD2 3.68Å; Y1777-L2164 HydrophobicContact CE1-CG 4.22Å; D1778-L2164 CarbonylContact O-C 3.36Å; D1778-L2164 WeakPolarHBondContact O-CA 3.36Å; D1778-L2164 PolarHBondContact O-N 2.84Å; A1779-L2164 VanDerWaalsContact C-N 3.3Å; A1779-L2164 PolarHBondContact O-N 3.06Å; T1780-L2164 WeakPolarHBondContact CB-O 3.41Å; T1780-L2164 VanDerWaalsContact CG2-O 3.31Å; T1780-L2164 WeakPolarHBondContact CG2-O 3.37Å; T1780-L2164 PolarHBondContact N-O 2.75Å; T1780-L2164 PolarHBondContact OG1-O 2.9Å | |||
| 2165 | N | 26.3 | Very low | 25.6 | Very low | 92 Ų | 92 | 108.7 Ų | 108.7 | 49% | 0.492 | 61% | 0.614 | S | S | . | * | trans | 77.2 | 118.8 | 153.1 | -63.3 | -14.8 | 0 | 0 | 0 | 125.9 | D1778 A1779 T1780 | D1778-N2165 PolarHBondContact O-N 2.96Å; A1779-N2165 WeakPolarHBondContact CB-O 3.48Å; T1780-N2165 WeakPolarHBondContact CG2-O 3.33Å | ||
| 2166 | S | 27.6 | Very low | 25.6 | Very low | 58 Ų | 58 | 107.9 Ų | 107.9 | 41% | 0.406 | 61% | 0.613 | S | S | . | * | trans | -83.4 | -151.8 | 156 | 57.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 2167 | P | 32.7 | Very low | 25.5 | Very low | 80 Ų | 80 | 106.7 Ų | 106.7 | 52% | 0.519 | 61% | 0.607 | S | S | . | * | -124.6 | 157.8 | -58.9 | 30.1 | -13.7 | 0 | 0 | 0 | 114 | |||||
| 2168 | L | 25.2 | Very low | 25.6 | Very low | 172 Ų | 172 | 108.2 Ų | 108.2 | 90% | 0.901 | 62% | 0.618 | S | S | * | * | trans | -153.4 | 149 | 159.7 | -74.1 | -179.5 | 0 | 0 | 0 | 111.2 | ||||
| 2169 | S | 24.1 | Very low | 25.7 | Very low | 86 Ų | 86 | 105 Ų | 105 | 60% | 0.601 | 61% | 0.609 | S | S | * | * | cis | -175.2 | 141.9 | -25.4 | 54.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2170 | C | 23.7 | Very low | 25.6 | Very low | 114 Ų | 114 | 104.2 Ų | 104.2 | 77% | 0.77 | 61% | 0.606 | S | S | * | * | trans | 67.2 | 143.1 | 167.6 | -53.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2171 | M | 27.9 | Very low | 25.3 | Very low | 95 Ų | 95 | 105 Ų | 105 | 47% | 0.468 | 61% | 0.609 | S | S | . | * | cis | 68 | 151.8 | 34.8 | -59.5 | -63.1 | -164.2 | 0 | 0 | 114.9 | E1227 | E1227-M2171 HydrophobicContact CB-CE 4.34Å; E1227-M2171 HydrophobicContact CG-CE 3.83Å; E1227-M2171 HydrophobicContact CG-SD 3.98Å | ||
| 2172 | P | 29.9 | Very low | 25.3 | Very low | 85 Ų | 85 | 103.4 Ų | 103.4 | 55% | 0.552 | 61% | 0.605 | S | S | * | * | cis | -118.2 | -175.8 | -28.2 | 22.5 | 0.8 | 0 | 0 | 0 | 109.9 | ||||
| 2173 | L | 25.2 | Very low | 25.3 | Very low | 138 Ų | 138 | 104.2 Ų | 104.2 | 72% | 0.723 | 61% | 0.606 | S | S | * | * | 177.1 | 142.2 | 80 | -80.7 | 169.3 | 0 | 0 | 0 | 106.5 | |||||
| 2174 | L | 22.8 | Very low | 25.3 | Very low | 102 Ų | 102 | 108.5 Ų | 108.5 | 53% | 0.534 | 63% | 0.626 | S | S | . | * | 48.7 | 125.6 | 79.6 | -76.9 | 161.4 | 0 | 0 | 0 | 112.5 | |||||
| 2175 | L | 24.7 | Very low | 25.2 | Very low | 144 Ų | 144 | 111 Ų | 111 | 75% | 0.754 | 64% | 0.64 | S | S | * | * | cis | -131.9 | 160.4 | 14.1 | -68.1 | 95.9 | 0 | 0 | 0 | 108.7 | ||||
| 2176 | T | 22.5 | Very low | 25.3 | Very low | 94 Ų | 94 | 112.2 Ų | 112.2 | 58% | 0.577 | 65% | 0.651 | S | S | * | * | 49.3 | 155 | 52 | 74 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 2177 | N | 23.6 | Very low | 25.3 | Very low | 119 Ų | 119 | 114.1 Ų | 114.1 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | cis | -117.1 | 135.2 | -14.3 | -105.2 | -33.7 | 0 | 0 | 0 | 106.4 | ||||
| 2178 | S | 26.5 | Very low | 24.9 | Very low | 88 Ų | 88 | 118 Ų | 118 | 62% | 0.615 | 67% | 0.671 | S | S | * | * | 68.9 | -179.9 | 76.9 | -49.7 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 2179 | N | 24.5 | Very low | 25 | Very low | 123 Ų | 123 | 114.4 Ų | 114.4 | 66% | 0.658 | 66% | 0.656 | S | S | * | * | trans | 63.9 | 105 | 162.4 | -54.6 | -12.2 | 0 | 0 | 0 | 113.8 | ||||
| 2180 | N | 23.8 | Very low | 25.1 | Very low | 138 Ų | 138 | 117.9 Ų | 117.9 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | cis | -178.2 | 165.2 | 47.6 | -92.6 | -23 | 0 | 0 | 0 | 108.1 | ||||
| 2181 | T | 23.9 | Very low | 25.1 | Very low | 110 Ų | 110 | 116.7 Ų | 116.7 | 68% | 0.675 | 65% | 0.652 | S | S | * | * | cis | -157.7 | 164.7 | 3.7 | 3.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2182 | T | 23.1 | Very low | 25.1 | Very low | 112 Ų | 112 | 118.3 Ų | 118.3 | 69% | 0.687 | 67% | 0.667 | S | S | * | * | trans | -22.3 | 151.8 | 141.9 | 64.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 2183 | T | 23 | Very low | 24.8 | Very low | 111 Ų | 111 | 118.7 Ų | 118.7 | 68% | 0.681 | 67% | 0.668 | S | S | * | * | cis | -160.6 | 154.4 | 44.6 | 39.2 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2184 | N | 25 | Very low | 24.9 | Very low | 130 Ų | 130 | 118.9 Ų | 118.9 | 70% | 0.695 | 67% | 0.669 | S | S | * | * | trans | 17.4 | 129.6 | 132.4 | -41.1 | -16.3 | 0 | 0 | 0 | 119.6 | ||||
| 2185 | N | 23.6 | Very low | 25 | Very low | 141 Ų | 141 | 122.2 Ų | 122.2 | 75% | 0.754 | 68% | 0.68 | S | S | * | * | 167.3 | 107.3 | 119.8 | -83.5 | -12.4 | 0 | 0 | 0 | 109.3 | |||||
| 2186 | T | 27.8 | Very low | 25.3 | Very low | 117 Ų | 117 | 120.9 Ų | 120.9 | 72% | 0.718 | 67% | 0.673 | S | S | * | * | 63.6 | 126.7 | 88.6 | 62 | 0 | 0 | 0 | 0 | 116 | |||||
| 2187 | D | 28.5 | Very low | 25.6 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 52% | 0.524 | 69% | 0.689 | S | S | . | * | trans | 41 | 86.7 | 154.5 | -76.4 | -52.3 | 0 | 0 | 0 | 117.5 | K1647 | K1647-D2187 IonicContact NZ-OD1 2.66Å; K1647-D2187 PolarHBondContact NZ-OD1 3.48Å; K1647-D2187 IonicContact NZ-OD2 3.63Å; K1647-D2187 PolarHBondContact NZ-OD2 2.72Å | ||
| 2188 | I | 24.1 | Very low | 25.7 | Very low | 160 Ų | 160 | 125.2 Ų | 125.2 | 82% | 0.821 | 69% | 0.687 | S | S | * | * | trans | -149.6 | 117.7 | 137.9 | -104.5 | 145.2 | 0 | 0 | 0 | 106.8 | ||||
| 2189 | V | 26.8 | Very low | 25.7 | Very low | 97 Ų | 97 | 127.9 Ų | 127.9 | 59% | 0.588 | 69% | 0.692 | S | S | * | * | 72.2 | 100.8 | 69.3 | 162.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 2190 | Q | 25.9 | Very low | 25.7 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | trans | 67.2 | 166.5 | 133.3 | -63.3 | 174.3 | 12.4 | 0 | 0 | 117 | ||||
| 2191 | T | 24.1 | Very low | 25.7 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 55% | 0.552 | 69% | 0.687 | S | S | * | * | cis | -140.4 | 122.7 | -15.1 | 5.7 | 0 | 0 | 0 | 0 | 105 | T2193 | T2191-T2193 PolarHBondContact O-OG1 2.89Š| ||
| 2192 | T | 26.9 | Very low | 25.7 | Very low | 128 Ų | 128 | 129.9 Ų | 129.9 | 79% | 0.785 | 69% | 0.687 | S | S | * | * | 67.7 | -157.8 | 93.7 | -44.6 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 2193 | T | 24.8 | Very low | 25.8 | Very low | 94 Ų | 94 | 130.4 Ų | 130.4 | 58% | 0.577 | 69% | 0.69 | S | S | * | * | trans | 54.8 | 107.3 | 149.9 | 43.7 | 0 | 0 | 0 | 0 | 117.3 | T2191 | T2191-T2193 PolarHBondContact O-OG1 2.89Š| ||
| 2194 | L | 26.4 | Very low | 25.9 | Very low | 142 Ų | 142 | 128.4 Ų | 128.4 | 74% | 0.743 | 68% | 0.681 | S | S | * | * | cis | -163.4 | 168.2 | 29.4 | -93.5 | 141.4 | 0 | 0 | 0 | 112 | ||||
| 2195 | F | 26 | Very low | 25.9 | Very low | 172 Ų | 172 | 126.8 Ų | 126.8 | 75% | 0.754 | 67% | 0.669 | S | S | * | * | trans | 68 | 129.2 | 158.6 | -81.9 | -153.4 | 0 | 0 | 0 | 117.2 | ||||
| 2196 | N | 31 | Very low | 26 | Very low | 115 Ų | 115 | 125.7 Ų | 125.7 | 62% | 0.615 | 66% | 0.659 | S | S | * | * | cis | -141 | 131.3 | 0.9 | -106.9 | -29.5 | 0 | 0 | 0 | 114.5 | ||||
| 2197 | K | 28.8 | Very low | 25.9 | Very low | 210 Ų | 210 | 124.6 Ų | 124.6 | 91% | 0.913 | 65% | 0.646 | S | S | * | * | trans | -99.6 | 82.4 | 169.7 | 177.4 | -166.3 | 173.3 | 179.9 | 0 | 108 | ||||
| 2198 | T | 24.4 | Very low | 25.8 | Very low | 95 Ų | 95 | 125.6 Ų | 125.6 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | trans | -154.6 | 141.3 | -179.4 | -13.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2199 | I | 26.9 | Very low | 25.8 | Very low | 143 Ų | 143 | 123.2 Ų | 123.2 | 73% | 0.733 | 63% | 0.633 | S | S | * | * | trans | 63.4 | 99.1 | 169.8 | -50.6 | 174.5 | 0 | 0 | 0 | 112.5 | ||||
| 2200 | K | 24.4 | Very low | 25.8 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 67% | 0.674 | 63% | 0.627 | S | S | * | * | cis | 61.7 | 96.1 | 24.6 | -163 | -161.9 | -171 | -65.2 | 0 | 113.4 | ||||
| 2201 | E | 25.1 | Very low | 25.8 | Very low | 132 Ų | 132 | 118.3 Ų | 118.3 | 62% | 0.617 | 61% | 0.611 | S | S | * | * | trans | 68.7 | 143.7 | 167.1 | -63.1 | 142.8 | -176.5 | 0 | 0 | 117.1 | ||||
| 2202 | L | 23.6 | Very low | 26.1 | Very low | 127 Ų | 127 | 121.7 Ų | 121.7 | 67% | 0.665 | 62% | 0.62 | S | S | * | * | trans | 68.3 | 142.7 | 164.6 | -54 | 147.8 | 0 | 0 | 0 | 115 | Y2031 | Y2031-L2202 HydrophobicContact CG-CD2 4.5Š| ||
| 2203 | T | 24.2 | Very low | 26 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | cis | -149.2 | 162.8 | 4.5 | -11.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2204 | S | 25.2 | Very low | 26.1 | Very low | 69 Ų | 69 | 125.9 Ų | 125.9 | 48% | 0.483 | 63% | 0.625 | S | S | . | * | trans | -65.8 | 160.8 | 173.1 | 53.3 | 0 | 0 | 0 | 0 | 117.1 | A1616 | A1616-S2204 VanDerWaalsContact O-CA 3.25Å; A1616-S2204 WeakPolarHBondContact O-CA 2.93Å; A1616-S2204 WeakPolarHBondContact O-CB 3.17Å | ||
| 2205 | Q | 25.6 | Very low | 26.1 | Very low | 96 Ų | 96 | 126.8 Ų | 126.8 | 45% | 0.449 | 63% | 0.628 | S | S | . | * | trans | 85.9 | 145 | 155.3 | -46.3 | -143.6 | -5.9 | 0 | 0 | 118.6 | D1615 A1616 N1617 | D1615-Q2205 PolarHBondContact O-NE2 3.2Å; A1616-Q2205 HydrophobicContact CB-CB 4.31Å; A1616-Q2205 HydrophobicContact CB-CG 3.66Å; A1616-Q2205 PolarHBondContact O-N 3.03Å; N1617-Q2205 VanDerWaalsContact N-N 3.18Å; N1617-Q2205 CarbonylContact O-C 3.6Å; N1617-Q2205 VanDerWaalsContact O-CA 3.27Å; N1617-Q2205 WeakPolarHBondContact O-CA 3.18Å; N1617-Q2205 PolarHBondContact O-N 3.48Å | ||
| 2206 | Q | 25.9 | Very low | 26.1 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 55% | 0.551 | 62% | 0.624 | S | S | * | * | cis | -148.8 | 175.2 | 3.6 | -137.9 | -174 | 80.3 | 0 | 0 | 115.8 | A1616 N1617 N1618 | A1616-Q2206 HydrophobicContact CB-CG 4.45Å; N1617-Q2206 PolarHBondContact O-N 3.28Å; N1618-Q2206 WeakPolarHBondContact CB-O 3.31Å; N1618-Q2206 PolarHBondContact ND2-O 3.03Å | ||
| 2207 | Q | 25.6 | Very low | 25.8 | Very low | 94 Ų | 94 | 123.2 Ų | 123.2 | 44% | 0.439 | 63% | 0.634 | S | S | . | * | trans | -52 | 171.7 | -172.3 | -71 | 176.7 | -8.2 | 0 | 0 | 123 | ||||
| 2208 | Q | 25.3 | Very low | 25.6 | Very low | 119 Ų | 119 | 117 Ų | 117 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | trans | 95.1 | 118.2 | 137.1 | -89 | 176.7 | 69.3 | 0 | 0 | 123.5 | ||||
| 2209 | Q | 25.6 | Very low | 25.6 | Very low | 110 Ų | 110 | 120 Ų | 120 | 51% | 0.514 | 63% | 0.634 | S | S | . | * | trans | 73.3 | 83.5 | 136.7 | -64.2 | 172.9 | 8.5 | 0 | 0 | 122.9 | ||||
| 2210 | S | 25.6 | Very low | 25.5 | Very low | 68 Ų | 68 | 121.9 Ų | 121.9 | 48% | 0.476 | 64% | 0.64 | S | S | . | * | 73.5 | 169.5 | 117.7 | 82.9 | 0 | 0 | 0 | 0 | 120.3 | M267 | M267-S2210 CarbonylContact C-O 3.58Š| |||
| 2211 | Q | 26.5 | Very low | 25.6 | Very low | 85 Ų | 85 | 123.1 Ų | 123.1 | 40% | 0.397 | 65% | 0.648 | S | S | . | * | cis | -145.8 | -154.4 | 15.1 | -119 | -149.4 | 35.8 | 0 | 0 | 113.6 | S270 | S270-Q2211 PolarHBondContact OG-NE2 2.93Š| ||
| 2212 | H | 29.7 | Very low | 25.6 | Very low | 161 Ų | 161 | 124 Ų | 124 | 75% | 0.745 | 65% | 0.652 | S | S | * | * | trans | -41.9 | 157.3 | 174.8 | -75.1 | -107.7 | 0 | 0 | 0 | 117 | ||||
| 2213 | R | 25.8 | Very low | 25.7 | Very low | 221 Ų | 221 | 125.5 Ų | 125.5 | 83% | 0.834 | 66% | 0.659 | S | S | * | * | cis | -155 | 123.1 | 35.9 | -139.8 | -167.6 | -157.1 | -166.6 | 4.9 | 114.6 | ||||
| 2214 | S | 26.1 | Very low | 25.8 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 62% | 0.622 | 66% | 0.662 | S | S | * | * | trans | 45.2 | 150.5 | 135.9 | 67.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 2215 | I | 26.4 | Very low | 25.9 | Very low | 160 Ų | 160 | 126.8 Ų | 126.8 | 82% | 0.821 | 67% | 0.668 | S | S | * | * | trans | 88.6 | 125.2 | 164.5 | -56.3 | 173.1 | 0 | 0 | 0 | 114 | ||||
| 2216 | S | 25.3 | Very low | 26 | Very low | 95 Ų | 95 | 128.3 Ų | 128.3 | 66% | 0.664 | 68% | 0.679 | S | S | * | * | cis | -163.8 | 176.5 | -12.3 | 55.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2217 | S | 25.4 | Very low | 26.3 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 67% | 0.668 | S | S | * | * | trans | 68.5 | 146.4 | 173.2 | 74.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 2218 | A | 25 | Very low | 26.7 | Very low | 79 Ų | 79 | 129.1 Ų | 129.1 | 65% | 0.653 | 69% | 0.685 | S | S | * | * | cis | -168.9 | 156.5 | -29.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 2219 | N | 24.4 | Very low | 27 | Very low | 160 Ų | 160 | 127.1 Ų | 127.1 | 86% | 0.856 | 68% | 0.684 | S | S | * | * | trans | 71 | 159.1 | 179.8 | -51.8 | -21.6 | 0 | 0 | 0 | 115.9 | ||||
| 2220 | Q | 25 | Very low | 27.6 | Very low | 182 Ų | 182 | 124.8 Ų | 124.8 | 85% | 0.85 | 68% | 0.677 | S | S | * | * | S | Bend | trans | 69.7 | 145.3 | -171.4 | -56.2 | -174.7 | -6.4 | 0 | 0 | 115.2 | ||
| 2221 | H | 26 | Very low | 28.3 | Very low | 180 Ų | 180 | 123.6 Ų | 123.6 | 83% | 0.833 | 67% | 0.667 | S | S | * | * | trans | 62.6 | 70.9 | -171.1 | -60.2 | -74.4 | 0 | 0 | 0 | 117.2 | ||||
| 2222 | H | 25.6 | Very low | 28.8 | Very low | 152 Ų | 152 | 123.3 Ų | 123.3 | 70% | 0.704 | 67% | 0.668 | S | S | * | * | trans | -132.3 | 57.9 | 150.8 | -127.1 | -61.9 | 0 | 0 | 0 | 112.5 | S2225 | H2222-S2225 PolarHBondContact CE1-OG 3.15Å; H2222-S2225 PolarHBondContact ND1-OG 3.13Å | ||
| 2223 | L | 25.5 | Very low | 29.2 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 82% | 0.822 | 67% | 0.668 | S | S | * | * | trans | -60.6 | 153.6 | 141.4 | -80.5 | 163.6 | 0 | 0 | 0 | 107.9 | ||||
| 2224 | T | 26.1 | Very low | 29.6 | Very low | 132 Ų | 132 | 117.1 Ų | 117.1 | 81% | 0.81 | 64% | 0.642 | S | S | * | * | S | Bend | trans | 61.4 | 78.5 | 178.2 | 64 | 0 | 0 | 0 | 0 | 116.7 | ||
| 2225 | S | 26.2 | Very low | 30.1 | Very low | 87 Ų | 87 | 117.8 Ų | 117.8 | 61% | 0.608 | 63% | 0.632 | S | S | * | * | trans | -173 | 60.9 | 139.6 | 61.5 | 0 | 0 | 0 | 0 | 112.7 | H2222 S2227 | H2222-S2225 PolarHBondContact CE1-OG 3.15Å; H2222-S2225 PolarHBondContact ND1-OG 3.13Å; S2225-S2227 PolarHBondContact O-N 2.74Å | ||
| 2226 | L | 29 | Very low | 30.7 | Very low | 129 Ų | 129 | 116.1 Ų | 116.1 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | trans | -61.6 | 120.2 | 160.5 | -80 | 164.7 | 0 | 0 | 0 | 107.5 | T2230 V2231 | L2226-T2230 HydrophobicContact CD2-CG2 3.73Å; L2226-V2231 HydrophobicContact CB-CG2 3.93Å | ||
| 2227 | S | 31.2 | Very low | 31.5 | Very low | 48 Ų | 48 | 114.8 Ų | 114.8 | 34% | 0.336 | 61% | 0.61 | S | S | . | * | trans | -69 | 156.6 | -176.3 | 75.7 | 0 | 0 | 0 | 0 | 110.4 | S2225 S2229 T2230 V2231 | S2225-S2227 PolarHBondContact O-N 2.74Å; S2227-S2229 PolarHBondContact O-N 2.67Å; S2227-S2229 VanDerWaalsContact O-N 3.16Å; S2227-S2229 PolarHBondContact OG-N 2.98Å; S2227-S2229 PolarHBondContact OG-OG 2.84Å; S2227-T2230 PolarHBondContact O-N 2.84Å; S2227-T2230 PolarHBondContact OG-N 3.1Å; S2227-T2230 PolarHBondContact OG-OG1 2.72Å; S2227-T2230 VanDerWaalsContact OG-OG1 3.05Å; S2227-V2231 WeakPolarHBondContact O-CG2 3.44Å; S2227-V2231 PolarHBondContact O-N 3.45Å | ||
| 2228 | K | 33.8 | Very low | 31.9 | Very low | 181 Ų | 181 | 116.8 Ų | 116.8 | 79% | 0.787 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -56.5 | -31.1 | 173.8 | -122.3 | -176.6 | 178.6 | -170.8 | 0 | 111.8 | N2232 | K2228-N2232 VanDerWaalsContact O-CB 3.31Å; K2228-N2232 WeakPolarHBondContact O-CB 3.03Å; K2228-N2232 PolarHBondContact O-N 2.87Å; K2228-N2232 PolarHBondContact O-OD1 2.82Å |
| 2229 | S | 32 | Very low | 32.2 | Very low | 77 Ų | 77 | 121.3 Ų | 121.3 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -76.8 | -32.2 | 175.5 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | S2227 R2233 | S2227-S2229 PolarHBondContact O-N 2.67Å; S2227-S2229 VanDerWaalsContact O-N 3.16Å; S2227-S2229 PolarHBondContact OG-N 2.98Å; S2227-S2229 PolarHBondContact OG-OG 2.84Å; S2229-R2233 WeakPolarHBondContact O-CB 3.21Å; S2229-R2233 WeakPolarHBondContact O-CG 3.12Å; S2229-R2233 PolarHBondContact O-N 2.83Å |
| 2230 | T | 38.7 | Very low | 32.6 | Very low | 61 Ų | 61 | 118.5 Ų | 118.5 | 37% | 0.374 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -70.6 | -39.2 | 171.1 | -55.4 | 0 | 0 | 0 | 0 | 111 | L2226 S2227 R2233 L2234 | L2226-T2230 HydrophobicContact CD2-CG2 3.73Å; S2227-T2230 PolarHBondContact O-N 2.84Å; S2227-T2230 PolarHBondContact OG-N 3.1Å; S2227-T2230 PolarHBondContact OG-OG1 2.72Å; S2227-T2230 VanDerWaalsContact OG-OG1 3.05Å; T2230-R2233 PolarHBondContact O-N 2.74Å; T2230-L2234 WeakPolarHBondContact O-CG 3.35Å; T2230-L2234 PolarHBondContact O-N 2.84Å; T2230-L2234 VanDerWaalsContact O-N 3.13Å |
| 2231 | V | 41.1 | Very low | 33 | Very low | 43 Ų | 43 | 111.7 Ų | 111.7 | 26% | 0.261 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -67.2 | -39.4 | 175.1 | 177.4 | 0 | 0 | 0 | 0 | 111.1 | L2226 S2227 L2234 Y2235 | L2226-V2231 HydrophobicContact CB-CG2 3.93Å; S2227-V2231 WeakPolarHBondContact O-CG2 3.44Å; S2227-V2231 PolarHBondContact O-N 3.45Å; V2231-L2234 WeakPolarHBondContact O-CB 3.25Å; V2231-L2234 PolarHBondContact O-N 2.77Å; V2231-Y2235 HydrophobicContact CG1-CD2 4.24Å; V2231-Y2235 HydrophobicContact CG1-CE2 3.67Å; V2231-Y2235 WeakPolarHBondContact O-CD2 3.42Å; V2231-Y2235 PolarHBondContact O-N 3.41Å; V2231-Y2235 VanDerWaalsContact O-N 3.14Å |
| 2232 | N | 37.1 | Very low | 33.3 | Very low | 79 Ų | 79 | 108.3 Ų | 108.3 | 42% | 0.422 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -67.9 | -41.4 | 173.8 | -72.6 | 13.2 | 0 | 0 | 0 | 112.3 | K2228 L2234 Y2235 D2236 | K2228-N2232 VanDerWaalsContact O-CB 3.31Å; K2228-N2232 WeakPolarHBondContact O-CB 3.03Å; K2228-N2232 PolarHBondContact O-N 2.87Å; K2228-N2232 PolarHBondContact O-OD1 2.82Å; N2232-L2234 PolarHBondContact O-N 2.96Å; N2232-L2234 VanDerWaalsContact O-N 3.08Å; N2232-Y2235 CarbonylContact O-C 3.56Å; N2232-Y2235 WeakPolarHBondContact O-CA 3.14Å; N2232-Y2235 WeakPolarHBondContact O-CB 2.95Å; N2232-Y2235 PolarHBondContact O-N 3.37Å; N2232-D2236 VanDerWaalsContact O-CG 3.25Å; N2232-D2236 PolarHBondContact O-N 2.77Å |
| 2233 | R | 36.9 | Very low | 33.8 | Very low | 193 Ų | 193 | 104.2 Ų | 104.2 | 73% | 0.728 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -59.9 | -19.3 | 170.9 | -79.3 | -180 | 172.6 | -167.6 | -3.4 | 114 | S2229 T2230 I2237 | S2229-R2233 WeakPolarHBondContact O-CB 3.21Å; S2229-R2233 WeakPolarHBondContact O-CG 3.12Å; S2229-R2233 PolarHBondContact O-N 2.83Å; T2230-R2233 PolarHBondContact O-N 2.74Å; R2233-I2237 WeakPolarHBondContact O-CG1 3.27Å |
| 2234 | L | 34.9 | Very low | 34.6 | Very low | 58 Ų | 58 | 99.4 Ų | 99.4 | 30% | 0.304 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -91 | -11.9 | 170.6 | -71.3 | 166 | 0 | 0 | 0 | 113.5 | T2230 V2231 N2232 I2237 | T2230-L2234 WeakPolarHBondContact O-CG 3.35Å; T2230-L2234 PolarHBondContact O-N 2.84Å; T2230-L2234 VanDerWaalsContact O-N 3.13Å; V2231-L2234 WeakPolarHBondContact O-CB 3.25Å; V2231-L2234 PolarHBondContact O-N 2.77Å; N2232-L2234 PolarHBondContact O-N 2.96Å; N2232-L2234 VanDerWaalsContact O-N 3.08Å; L2234-I2237 HydrophobicContact CD2-CD1 4.44Å |
| 2235 | Y | 35.9 | Very low | 35.1 | Very low | 104 Ų | 104 | 94.1 Ų | 94.1 | 41% | 0.408 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -88.5 | -28.1 | 170 | -72.5 | -42.9 | 0 | 0 | 0 | 113.3 | V2231 N2232 I2237 K2284 | V2231-Y2235 HydrophobicContact CG1-CD2 4.24Å; V2231-Y2235 HydrophobicContact CG1-CE2 3.67Å; V2231-Y2235 WeakPolarHBondContact O-CD2 3.42Å; V2231-Y2235 PolarHBondContact O-N 3.41Å; V2231-Y2235 VanDerWaalsContact O-N 3.14Å; N2232-Y2235 CarbonylContact O-C 3.56Å; N2232-Y2235 WeakPolarHBondContact O-CA 3.14Å; N2232-Y2235 WeakPolarHBondContact O-CB 2.95Å; N2232-Y2235 PolarHBondContact O-N 3.37Å; Y2235-I2237 VanDerWaalsContact C-N 3.34Å; Y2235-K2284 HydrophobicContact CE1-CD 4.19Å |
| 2236 | D | 39.3 | Very low | 35.7 | Very low | 125 Ų | 125 | 93.1 Ų | 93.1 | 67% | 0.668 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -85.3 | -0.6 | -174.6 | -57.3 | -32.4 | 0 | 0 | 0 | 114 | N2232 E2238 | N2232-D2236 VanDerWaalsContact O-CG 3.25Å; N2232-D2236 PolarHBondContact O-N 2.77Å; D2236-E2238 PolarHBondContact O-N 2.7Å |
| 2237 | I | 41.7 | Very low | 36.3 | Very low | 67 Ų | 67 | 92.5 Ų | 92.5 | 34% | 0.344 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -81.7 | 111.1 | 177.8 | -60.3 | 172.1 | 0 | 0 | 0 | 109.6 | R2233 L2234 Y2235 | R2233-I2237 WeakPolarHBondContact O-CG1 3.27Å; L2234-I2237 HydrophobicContact CD2-CD1 4.44Å; Y2235-I2237 VanDerWaalsContact C-N 3.34Å |
| 2238 | E | 34.4 | Very low | 36.7 | Very low | 158 Ų | 158 | 93.4 Ų | 93.4 | 74% | 0.738 | 50% | 0.497 | S | S | * | . | trans | -62.3 | 151.8 | 175.4 | -70.2 | -160.4 | 138.6 | 0 | 0 | 113.1 | D2236 S2240 | D2236-E2238 PolarHBondContact O-N 2.7Å; E2238-S2240 PolarHBondContact O-N 3.17Å | ||
| 2239 | I | 31.2 | Very low | 37 | Very low | 174 Ų | 174 | 88.2 Ų | 88.2 | 89% | 0.892 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | 3.1 | -168.2 | -63.5 | 164.8 | 0 | 0 | 0 | 113.4 | ||
| 2240 | S | 32.5 | Very low | 37.3 | Very low | 101 Ų | 101 | 88.1 Ų | 88.1 | 71% | 0.706 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77 | -19.7 | -170.6 | 60.8 | 0 | 0 | 0 | 0 | 115.7 | E2238 | E2238-S2240 PolarHBondContact O-N 3.17Š|
| 2241 | S | 34.8 | Very low | 37.3 | Very low | 39 Ų | 39 | 92.9 Ų | 92.9 | 27% | 0.273 | 49% | 0.49 | S | S | . | . | trans | -146.1 | 86.4 | -172.4 | 47.3 | 0 | 0 | 0 | 0 | 115.1 | S2243 T2244 | S2241-S2243 PolarHBondContact O-N 3.36Å; S2241-S2243 VanDerWaalsContact O-N 3.08Å; S2241-T2244 WeakPolarHBondContact CB-OG1 3.44Å; S2241-T2244 PolarHBondContact O-N 2.89Å; S2241-T2244 PolarHBondContact O-OG1 2.95Å; S2241-T2244 PolarHBondContact OG-OG1 3.17Å | ||
| 2242 | C | 31.9 | Very low | 36.9 | Very low | 109 Ų | 109 | 100 Ų | 100 | 74% | 0.736 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -7.7 | 172 | -59.7 | 0 | 0 | 0 | 0 | 114.7 | ||
| 2243 | S | 36.3 | Very low | 36.6 | Very low | 67 Ų | 67 | 101.4 Ų | 101.4 | 47% | 0.469 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -43 | 172.4 | 57.2 | 0 | 0 | 0 | 0 | 112.5 | S2241 Y2246 E2247 | S2241-S2243 PolarHBondContact O-N 3.36Å; S2241-S2243 VanDerWaalsContact O-N 3.08Å; S2243-Y2246 WeakPolarHBondContact O-CB 3.46Å; S2243-Y2246 PolarHBondContact O-N 2.89Å; S2243-Y2246 VanDerWaalsContact O-N 3.17Å; S2243-E2247 WeakPolarHBondContact O-CG 3.34Å; S2243-E2247 PolarHBondContact O-N 2.96Å |
| 2244 | T | 41.2 | Very low | 36.2 | Very low | 56 Ų | 56 | 97.3 Ų | 97.3 | 34% | 0.344 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.9 | -41.3 | -176.9 | 55.7 | 0 | 0 | 0 | 0 | 111 | S2241 Y2246 E2247 S2248 | S2241-T2244 WeakPolarHBondContact CB-OG1 3.44Å; S2241-T2244 PolarHBondContact O-N 2.89Å; S2241-T2244 PolarHBondContact O-OG1 2.95Å; S2241-T2244 PolarHBondContact OG-OG1 3.17Å; T2244-Y2246 PolarHBondContact O-N 3.14Å; T2244-E2247 PolarHBondContact O-N 2.77Å; T2244-S2248 WeakPolarHBondContact O-CB 3.1Å; T2244-S2248 PolarHBondContact O-N 3.05Å; T2244-S2248 PolarHBondContact O-OG 2.94Å |
| 2245 | A | 36.3 | Very low | 35.8 | Very low | 21 Ų | 21 | 101 Ų | 101 | 17% | 0.174 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -61.2 | -30.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | V2249 | A2245-V2249 WeakPolarHBondContact O-CB 3.34Å; A2245-V2249 WeakPolarHBondContact O-CG2 3.32Å; A2245-V2249 PolarHBondContact O-N 2.98Å |
| 2246 | Y | 40.2 | Very low | 35.3 | Very low | 65 Ų | 65 | 101.8 Ų | 101.8 | 26% | 0.255 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -75.9 | -42.9 | 173.8 | 172.6 | -89.7 | 0 | 0 | 0 | 111.6 | S2243 T2244 V2249 M2250 Y2270 | S2243-Y2246 WeakPolarHBondContact O-CB 3.46Å; S2243-Y2246 PolarHBondContact O-N 2.89Å; S2243-Y2246 VanDerWaalsContact O-N 3.17Å; T2244-Y2246 PolarHBondContact O-N 3.14Å; Y2246-V2249 PolarHBondContact O-N 3.01Å; Y2246-M2250 HydrophobicContact CD1-CG 4.33Å; Y2246-M2250 HydrophobicContact CD2-CE 4.41Å; Y2246-M2250 HydrophobicContact CE1-CG 4.03Å; Y2246-M2250 HydrophobicContact CE2-CE 3.64Å; Y2246-M2250 HydrophobicContact CE2-CG 4.37Å; Y2246-M2250 WeakPolarHBondContact O-CB 2.95Å; Y2246-M2250 WeakPolarHBondContact O-CG 3.35Å; Y2246-M2250 PolarHBondContact O-N 3.19Å; Y2246-Y2270 HydrophobicContact CD2-CD1 4.16Å; Y2246-Y2270 AromaticContact CD2-CE1 3.43Å; Y2246-Y2270 HydrophobicContact CD2-CE1 3.43Å; Y2246-Y2270 VanDerWaalsContact CD2-CE1 3.43Å; Y2246-Y2270 AromaticContact CD2-CE2 3.95Å; Y2246-Y2270 HydrophobicContact CD2-CE2 3.95Å; Y2246-Y2270 AromaticContact CD2-CZ 3.31Å; Y2246-Y2270 WeakPolarHBondContact CD2-OH 3.12Å; Y2246-Y2270 HydrophobicContact CE2-CD1 4.45Å; Y2246-Y2270 HydrophobicContact CE2-CD2 4.12Å; Y2246-Y2270 AromaticContact CE2-CE1 3.91Å; Y2246-Y2270 HydrophobicContact CE2-CE1 3.91Å; Y2246-Y2270 AromaticContact CE2-CE2 3.53Å; Y2246-Y2270 HydrophobicContact CE2-CE2 3.53Å; Y2246-Y2270 AromaticContact CE2-CZ 3.41Å; Y2246-Y2270 VanDerWaalsContact CE2-CZ 3.41Å; Y2246-Y2270 HydrophobicContact CG-CE1 4.02Å; Y2246-Y2270 AromaticContact CG-CZ 3.79Å; Y2246-Y2270 AromaticContact CZ-CE2 3.97Å; Y2246-Y2270 AromaticContact CZ-CZ 3.99Å |
| 2247 | E | 40.6 | Very low | 34.7 | Very low | 117 Ų | 117 | 103 Ų | 103 | 55% | 0.547 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.8 | -49.7 | 175.9 | -74 | 168.9 | 160.5 | 0 | 0 | 111.3 | S2243 T2244 V2249 M2250 E2251 | S2243-E2247 WeakPolarHBondContact O-CG 3.34Å; S2243-E2247 PolarHBondContact O-N 2.96Å; T2244-E2247 PolarHBondContact O-N 2.77Å; E2247-V2249 PolarHBondContact O-N 3.15Å; E2247-M2250 PolarHBondContact O-N 3.45Å; E2247-M2250 VanDerWaalsContact O-N 3.1Å; E2247-E2251 VanDerWaalsContact O-CB 3.28Å; E2247-E2251 WeakPolarHBondContact O-CB 3.3Å; E2247-E2251 PolarHBondContact O-N 3.21Å |
| 2248 | S | 41.1 | Very low | 33.9 | Very low | 66 Ų | 66 | 105.7 Ų | 105.7 | 46% | 0.462 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.2 | -20.7 | 177.5 | -59.5 | 0 | 0 | 0 | 0 | 114.5 | T2244 | T2244-S2248 WeakPolarHBondContact O-CB 3.1Å; T2244-S2248 PolarHBondContact O-N 3.05Å; T2244-S2248 PolarHBondContact O-OG 2.94Å |
| 2249 | V | 39.6 | Very low | 33.7 | Very low | 73 Ų | 73 | 104.3 Ų | 104.3 | 44% | 0.442 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -82 | -38.6 | 170.5 | 166.5 | 0 | 0 | 0 | 0 | 111.1 | A2245 Y2246 E2247 Y2252 I2253 | A2245-V2249 WeakPolarHBondContact O-CB 3.34Å; A2245-V2249 WeakPolarHBondContact O-CG2 3.32Å; A2245-V2249 PolarHBondContact O-N 2.98Å; Y2246-V2249 PolarHBondContact O-N 3.01Å; E2247-V2249 PolarHBondContact O-N 3.15Å; V2249-Y2252 PolarHBondContact O-N 2.74Å; V2249-I2253 HydrophobicContact CG1-CD1 4.36Å; V2249-I2253 WeakPolarHBondContact O-CG1 3.2Å |
| 2250 | M | 38.5 | Very low | 33.4 | Very low | 75 Ų | 75 | 100.7 Ų | 100.7 | 37% | 0.369 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.5 | -36.5 | 177.3 | -73.3 | -69.1 | 172 | 0 | 0 | 112.7 | Y2246 E2247 Y2252 I2253 V2269 | Y2246-M2250 HydrophobicContact CD1-CG 4.33Å; Y2246-M2250 HydrophobicContact CD2-CE 4.41Å; Y2246-M2250 HydrophobicContact CE1-CG 4.03Å; Y2246-M2250 HydrophobicContact CE2-CE 3.64Å; Y2246-M2250 HydrophobicContact CE2-CG 4.37Å; Y2246-M2250 WeakPolarHBondContact O-CB 2.95Å; Y2246-M2250 WeakPolarHBondContact O-CG 3.35Å; Y2246-M2250 PolarHBondContact O-N 3.19Å; E2247-M2250 PolarHBondContact O-N 3.45Å; E2247-M2250 VanDerWaalsContact O-N 3.1Å; M2250-Y2252 PolarHBondContact O-N 3.18Å; M2250-I2253 PolarHBondContact O-N 2.87Å; M2250-V2269 HydrophobicContact CE-CG1 3.96Å |
| 2251 | E | 38.2 | Very low | 33.1 | Very low | 160 Ų | 160 | 101.1 Ų | 101.1 | 75% | 0.748 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -18.9 | 175.9 | -171.2 | 170.8 | -142.1 | 0 | 0 | 112.8 | E2247 | E2247-E2251 VanDerWaalsContact O-CB 3.28Å; E2247-E2251 WeakPolarHBondContact O-CB 3.3Å; E2247-E2251 PolarHBondContact O-N 3.21Å |
| 2252 | Y | 32 | Very low | 32.9 | Very low | 193 Ų | 193 | 108.6 Ų | 108.6 | 76% | 0.757 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 8.1 | -178.5 | -104.7 | -82.8 | 0 | 0 | 0 | 115.4 | V2249 M2250 P2254 | V2249-Y2252 PolarHBondContact O-N 2.74Å; M2250-Y2252 PolarHBondContact O-N 3.18Å; Y2252-P2254 WeakPolarHBondContact O-CD 3.45Å |
| 2253 | I | 32.3 | Very low | 33 | Very low | 109 Ų | 109 | 112.5 Ų | 112.5 | 56% | 0.559 | 61% | 0.611 | S | S | * | * | trans | -106.8 | 105.7 | 177.3 | -64.2 | 167 | 0 | 0 | 0 | 110 | V2249 M2250 | V2249-I2253 HydrophobicContact CG1-CD1 4.36Å; V2249-I2253 WeakPolarHBondContact O-CG1 3.2Å; M2250-I2253 PolarHBondContact O-N 2.87Å | ||
| 2254 | P | 26.9 | Very low | 33.2 | Very low | 107 Ų | 107 | 114.4 Ų | 114.4 | 70% | 0.695 | 61% | 0.61 | S | S | * | * | trans | -66.3 | 145.2 | 175.2 | -19.5 | 33 | 0 | 0 | 0 | 112.1 | Y2252 C2256 | Y2252-P2254 WeakPolarHBondContact O-CD 3.45Å; P2254-C2256 PolarHBondContact O-N 2.86Å | ||
| 2255 | T | 26.5 | Very low | 33.4 | Very low | 135 Ų | 135 | 115.2 Ų | 115.2 | 83% | 0.828 | 62% | 0.615 | S | S | * | * | trans | -64.5 | 120 | 177.7 | 49.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2256 | C | 25.9 | Very low | 33.9 | Very low | 121 Ų | 121 | 118.9 Ų | 118.9 | 82% | 0.818 | 64% | 0.636 | S | S | * | * | trans | -133.8 | 90.1 | 172.5 | -78.1 | 0 | 0 | 0 | 0 | 109.4 | P2254 | P2254-C2256 PolarHBondContact O-N 2.86Š| ||
| 2257 | D | 26.3 | Very low | 34.5 | Very low | 150 Ų | 150 | 122.7 Ų | 122.7 | 80% | 0.802 | 65% | 0.65 | S | S | * | * | trans | -77.9 | 113.9 | 166.1 | -70.1 | -62.1 | 0 | 0 | 0 | 109.6 | ||||
| 2258 | D | 25.3 | Very low | 35.2 | Very low | 123 Ų | 123 | 120.5 Ų | 120.5 | 66% | 0.658 | 64% | 0.64 | S | S | * | * | trans | 173.6 | 172.8 | 142.3 | -91.7 | -24.5 | 0 | 0 | 0 | 110.7 | ||||
| 2259 | V | 29.9 | Very low | 35.5 | Very low | 130 Ų | 130 | 120 Ų | 120 | 79% | 0.788 | 63% | 0.633 | S | S | * | * | trans | 75.2 | 109 | -178.9 | -170.2 | 0 | 0 | 0 | 0 | 115.7 | S2261 | V2259-S2261 PolarHBondContact O-N 2.78Š| ||
| 2260 | T | 25.2 | Very low | 35.9 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 60% | 0.595 | 63% | 0.633 | S | S | * | * | trans | -79.3 | 107.9 | -175.9 | 56.4 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 2261 | S | 25.6 | Very low | 37 | Very low | 110 Ų | 110 | 122.3 Ų | 122.3 | 77% | 0.769 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -145.8 | 166.1 | 148.1 | 72.4 | 0 | 0 | 0 | 0 | 109.9 | V2259 Q2263 | V2259-S2261 PolarHBondContact O-N 2.78Å; S2261-Q2263 PolarHBondContact O-N 2.87Å; S2261-Q2263 VanDerWaalsContact O-N 3.12Å |
| 2262 | K | 30.5 | Very low | 37.8 | Very low | 196 Ų | 196 | 118.3 Ų | 118.3 | 85% | 0.852 | 62% | 0.618 | S | S | * | * | trans | -36.6 | 114.7 | -169.1 | -64.8 | 171.9 | -177.2 | 168.1 | 0 | 113.1 | K2264 | K2262-K2264 PolarHBondContact O-N 2.85Š| ||
| 2263 | Q | 34.8 | Very low | 38.7 | Very low | 191 Ų | 191 | 111.1 Ų | 111.1 | 89% | 0.893 | 60% | 0.599 | S | S | * | * | trans | -59.2 | 113.4 | 169.3 | -83.2 | -179.7 | -38.9 | 0 | 0 | 109 | S2261 T2265 | S2261-Q2263 PolarHBondContact O-N 2.87Å; S2261-Q2263 VanDerWaalsContact O-N 3.12Å; Q2263-T2265 PolarHBondContact O-N 3.31Å | ||
| 2264 | K | 39.8 | Very low | 39.9 | Very low | 107 Ų | 107 | 109.9 Ų | 109.9 | 47% | 0.465 | 59% | 0.591 | S | S | . | * | trans | -62.6 | 127.5 | 168.5 | -76.4 | -166.7 | 176.4 | -169.4 | 0 | 108.5 | K2262 E2268 V2269 D2272 | K2262-K2264 PolarHBondContact O-N 2.85Å; K2264-E2268 HydrophobicContact CB-CB 3.69Å; K2264-E2268 HydrophobicContact CD-CB 4.1Å; K2264-E2268 HydrophobicContact CG-CB 3.93Å; K2264-V2269 HydrophobicContact CB-CG2 4.21Å; K2264-D2272 VanDerWaalsContact CD-OD2 3.28Å; K2264-D2272 WeakPolarHBondContact CD-OD2 3.36Å; K2264-D2272 WeakPolarHBondContact CE-OD2 3.14Å; K2264-D2272 IonicContact NZ-OD1 2.62Å; K2264-D2272 PolarHBondContact NZ-OD1 3.4Å; K2264-D2272 IonicContact NZ-OD2 2.94Å; K2264-D2272 PolarHBondContact NZ-OD2 3.29Å | ||
| 2265 | T | 46.4 | Very low | 41.6 | Very low | 73 Ų | 73 | 109.5 Ų | 109.5 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | trans | -59.9 | 159.1 | 169.4 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | Q2263 R2267 E2268 V2269 | Q2263-T2265 PolarHBondContact O-N 3.31Å; T2265-R2267 PolarHBondContact O-N 2.72Å; T2265-R2267 VanDerWaalsContact O-N 3.08Å; T2265-E2268 WeakPolarHBondContact CB-OE1 3.32Å; T2265-E2268 WeakPolarHBondContact CG2-OE1 3.49Å; T2265-E2268 PolarHBondContact N-OE1 3.01Å; T2265-E2268 WeakPolarHBondContact O-CA 3.44Å; T2265-E2268 WeakPolarHBondContact O-CB 2.81Å; T2265-E2268 PolarHBondContact O-N 3.35Å; T2265-E2268 PolarHBondContact OG1-N 3.01Å; T2265-E2268 PolarHBondContact OG1-OE1 3.07Å; T2265-V2269 PolarHBondContact O-N 3.39Å | ||
| 2266 | T | 45.6 | Very low | 43 | Very low | 98 Ų | 98 | 108.4 Ų | 108.4 | 60% | 0.601 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -51.4 | -34 | 170.3 | 44.5 | 0 | 0 | 0 | 0 | 111.8 | V2269 Y2270 | T2266-V2269 PolarHBondContact O-N 3.36Å; T2266-Y2270 VanDerWaalsContact O-CD2 3.3Å; T2266-Y2270 WeakPolarHBondContact O-CD2 3.36Å; T2266-Y2270 PolarHBondContact O-N 3.41Å |
| 2267 | R | 52.8 | Low | 44.1 | Very low | 145 Ų | 145 | 107.4 Ų | 107.4 | 55% | 0.547 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.2 | -46.5 | 170.5 | 174.8 | -177.5 | 173.3 | 148.4 | 9 | 113.4 | T2265 V2269 Y2270 E2271 | T2265-R2267 PolarHBondContact O-N 2.72Å; T2265-R2267 VanDerWaalsContact O-N 3.08Å; R2267-V2269 VanDerWaalsContact C-N 3.28Å; R2267-V2269 PolarHBondContact O-N 2.75Å; R2267-Y2270 CarbonylContact O-C 3.58Å; R2267-Y2270 PolarHBondContact O-N 3.17Å; R2267-E2271 HydrophobicContact CG-CG 4.45Å; R2267-E2271 IonicContact CZ-OE1 3.71Å; R2267-E2271 IonicContact NE-OE1 3.75Å; R2267-E2271 PolarHBondContact NE-OE1 3.16Å; R2267-E2271 IonicContact NH2-OE1 3.12Å; R2267-E2271 PolarHBondContact NH2-OE1 2.71Å; R2267-E2271 WeakPolarHBondContact O-CB 3.38Å; R2267-E2271 WeakPolarHBondContact O-CG 3.29Å; R2267-E2271 PolarHBondContact O-N 2.9Å |
| 2268 | E | 55.6 | Low | 45.5 | Very low | 72 Ų | 72 | 107.4 Ų | 107.4 | 34% | 0.336 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.4 | -32.7 | 176.8 | -77.1 | 155.3 | -88.8 | 0 | 0 | 111.8 | K2264 T2265 E2271 D2272 | K2264-E2268 HydrophobicContact CB-CB 3.69Å; K2264-E2268 HydrophobicContact CD-CB 4.1Å; K2264-E2268 HydrophobicContact CG-CB 3.93Å; T2265-E2268 WeakPolarHBondContact CB-OE1 3.32Å; T2265-E2268 WeakPolarHBondContact CG2-OE1 3.49Å; T2265-E2268 PolarHBondContact N-OE1 3.01Å; T2265-E2268 WeakPolarHBondContact O-CA 3.44Å; T2265-E2268 WeakPolarHBondContact O-CB 2.81Å; T2265-E2268 PolarHBondContact O-N 3.35Å; T2265-E2268 PolarHBondContact OG1-N 3.01Å; T2265-E2268 PolarHBondContact OG1-OE1 3.07Å; E2268-E2271 PolarHBondContact O-N 3.45Å; E2268-D2272 WeakPolarHBondContact O-CB 3.1Å; E2268-D2272 VanDerWaalsContact O-CG 3.24Å; E2268-D2272 PolarHBondContact O-N 2.79Å |
| 2269 | V | 47.5 | Very low | 46.8 | Very low | 54 Ų | 54 | 107.4 Ų | 107.4 | 33% | 0.327 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68.6 | -39.4 | 171.8 | -178.2 | 0 | 0 | 0 | 0 | 111.4 | M2250 K2264 T2265 T2266 R2267 A2273 | M2250-V2269 HydrophobicContact CE-CG1 3.96Å; K2264-V2269 HydrophobicContact CB-CG2 4.21Å; T2265-V2269 PolarHBondContact O-N 3.39Å; T2266-V2269 PolarHBondContact O-N 3.36Å; R2267-V2269 VanDerWaalsContact C-N 3.28Å; R2267-V2269 PolarHBondContact O-N 2.75Å; V2269-A2273 VanDerWaalsContact O-CB 3.29Å; V2269-A2273 WeakPolarHBondContact O-CB 3.35Å; V2269-A2273 PolarHBondContact O-N 3.24Å |
| 2270 | Y | 49.2 | Very low | 47.7 | Very low | 109 Ų | 109 | 104.4 Ų | 104.4 | 43% | 0.427 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.7 | -38 | 170.7 | -89.5 | -66.7 | 0 | 0 | 0 | 112.9 | Y2246 T2266 R2267 A2273 E2274 | Y2246-Y2270 HydrophobicContact CD2-CD1 4.16Å; Y2246-Y2270 AromaticContact CD2-CE1 3.43Å; Y2246-Y2270 HydrophobicContact CD2-CE1 3.43Å; Y2246-Y2270 VanDerWaalsContact CD2-CE1 3.43Å; Y2246-Y2270 AromaticContact CD2-CE2 3.95Å; Y2246-Y2270 HydrophobicContact CD2-CE2 3.95Å; Y2246-Y2270 AromaticContact CD2-CZ 3.31Å; Y2246-Y2270 WeakPolarHBondContact CD2-OH 3.12Å; Y2246-Y2270 HydrophobicContact CE2-CD1 4.45Å; Y2246-Y2270 HydrophobicContact CE2-CD2 4.12Å; Y2246-Y2270 AromaticContact CE2-CE1 3.91Å; Y2246-Y2270 HydrophobicContact CE2-CE1 3.91Å; Y2246-Y2270 AromaticContact CE2-CE2 3.53Å; Y2246-Y2270 HydrophobicContact CE2-CE2 3.53Å; Y2246-Y2270 AromaticContact CE2-CZ 3.41Å; Y2246-Y2270 VanDerWaalsContact CE2-CZ 3.41Å; Y2246-Y2270 HydrophobicContact CG-CE1 4.02Å; Y2246-Y2270 AromaticContact CG-CZ 3.79Å; Y2246-Y2270 AromaticContact CZ-CE2 3.97Å; Y2246-Y2270 AromaticContact CZ-CZ 3.99Å; T2266-Y2270 VanDerWaalsContact O-CD2 3.3Å; T2266-Y2270 WeakPolarHBondContact O-CD2 3.36Å; T2266-Y2270 PolarHBondContact O-N 3.41Å; R2267-Y2270 CarbonylContact O-C 3.58Å; R2267-Y2270 PolarHBondContact O-N 3.17Å; Y2270-A2273 PolarHBondContact O-N 3.15Å; Y2270-E2274 PolarHBondContact O-N 3.17Å |
| 2271 | E | 59.9 | Low | 48.9 | Very low | 88 Ų | 88 | 102.2 Ų | 102.2 | 41% | 0.411 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.6 | -38.9 | 176.9 | -73.9 | -178.3 | -170.1 | 0 | 0 | 111.2 | R2267 E2268 V2275 | R2267-E2271 HydrophobicContact CG-CG 4.45Å; R2267-E2271 IonicContact CZ-OE1 3.71Å; R2267-E2271 IonicContact NE-OE1 3.75Å; R2267-E2271 PolarHBondContact NE-OE1 3.16Å; R2267-E2271 IonicContact NH2-OE1 3.12Å; R2267-E2271 PolarHBondContact NH2-OE1 2.71Å; R2267-E2271 WeakPolarHBondContact O-CB 3.38Å; R2267-E2271 WeakPolarHBondContact O-CG 3.29Å; R2267-E2271 PolarHBondContact O-N 2.9Å; E2268-E2271 PolarHBondContact O-N 3.45Å; E2271-V2275 WeakPolarHBondContact O-CB 3.13Å; E2271-V2275 VanDerWaalsContact O-CG2 3.29Å; E2271-V2275 WeakPolarHBondContact O-CG2 3.24Å; E2271-V2275 PolarHBondContact O-N 3.11Å |
| 2272 | D | 55.8 | Low | 50.2 | Low | 76 Ų | 76 | 101 Ų | 101 | 41% | 0.406 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -58.6 | -45.1 | 168 | -75.3 | -15.9 | 0 | 0 | 0 | 111.4 | K2264 E2268 V2275 L2276 | K2264-D2272 VanDerWaalsContact CD-OD2 3.28Å; K2264-D2272 WeakPolarHBondContact CD-OD2 3.36Å; K2264-D2272 WeakPolarHBondContact CE-OD2 3.14Å; K2264-D2272 IonicContact NZ-OD1 2.62Å; K2264-D2272 PolarHBondContact NZ-OD1 3.4Å; K2264-D2272 IonicContact NZ-OD2 2.94Å; K2264-D2272 PolarHBondContact NZ-OD2 3.29Å; E2268-D2272 WeakPolarHBondContact O-CB 3.1Å; E2268-D2272 VanDerWaalsContact O-CG 3.24Å; E2268-D2272 PolarHBondContact O-N 2.79Å; D2272-V2275 PolarHBondContact O-N 2.73Å; D2272-L2276 WeakPolarHBondContact O-CB 3.18Å; D2272-L2276 PolarHBondContact O-N 2.82Å |
| 2273 | A | 51.7 | Low | 51 | Low | 43 Ų | 43 | 95 Ų | 95 | 36% | 0.355 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.7 | -38.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V2269 Y2270 V2275 L2276 Y2277 | V2269-A2273 VanDerWaalsContact O-CB 3.29Å; V2269-A2273 WeakPolarHBondContact O-CB 3.35Å; V2269-A2273 PolarHBondContact O-N 3.24Å; Y2270-A2273 PolarHBondContact O-N 3.15Å; A2273-V2275 VanDerWaalsContact C-N 3.32Å; A2273-L2276 PolarHBondContact O-N 3.05Å; A2273-Y2277 PolarHBondContact O-N 2.77Å |
| 2274 | E | 57 | Low | 51.3 | Low | 83 Ų | 83 | 92.5 Ų | 92.5 | 39% | 0.388 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 170.5 | -160.4 | -157.1 | 157.2 | 0 | 0 | 109.6 | Y2270 L2276 Y2277 R2278 | Y2270-E2274 PolarHBondContact O-N 3.17Å; E2274-L2276 PolarHBondContact O-N 2.69Å; E2274-Y2277 PolarHBondContact O-N 3.47Å; E2274-R2278 HydrophobicContact CG-CG 4.4Å; E2274-R2278 VanDerWaalsContact O-CB 3.3Å; E2274-R2278 WeakPolarHBondContact O-CB 3.48Å; E2274-R2278 WeakPolarHBondContact O-CG 3.43Å; E2274-R2278 PolarHBondContact O-N 2.87Å; E2274-R2278 IonicContact OE1-CZ 3.81Å; E2274-R2278 IonicContact OE1-NE 3.41Å; E2274-R2278 PolarHBondContact OE1-NE 2.81Å; E2274-R2278 VanDerWaalsContact OE1-NE 3.15Å; E2274-R2278 IonicContact OE1-NH2 2.76Å; E2274-R2278 PolarHBondContact OE1-NH2 3.29Å |
| 2275 | V | 62.7 | Low | 51.5 | Low | 98 Ų | 98 | 94.4 Ų | 94.4 | 59% | 0.594 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -63.2 | -39.6 | 176.4 | 168.8 | 0 | 0 | 0 | 0 | 111.8 | E2271 D2272 A2273 H2279 | E2271-V2275 WeakPolarHBondContact O-CB 3.13Å; E2271-V2275 VanDerWaalsContact O-CG2 3.29Å; E2271-V2275 WeakPolarHBondContact O-CG2 3.24Å; E2271-V2275 PolarHBondContact O-N 3.11Å; D2272-V2275 PolarHBondContact O-N 2.73Å; A2273-V2275 VanDerWaalsContact C-N 3.32Å; V2275-H2279 VanDerWaalsContact O-CB 3.31Å; V2275-H2279 WeakPolarHBondContact O-CB 3.39Å; V2275-H2279 PolarHBondContact O-N 2.86Å |
| 2276 | L | 55.5 | Low | 51.2 | Low | 113 Ų | 113 | 94.1 Ų | 94.1 | 59% | 0.592 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -65.9 | -47.8 | 176.4 | -159.4 | 82.9 | 0 | 0 | 0 | 111.4 | D2272 A2273 E2274 R2278 H2279 L2280 | D2272-L2276 WeakPolarHBondContact O-CB 3.18Å; D2272-L2276 PolarHBondContact O-N 2.82Å; A2273-L2276 PolarHBondContact O-N 3.05Å; E2274-L2276 PolarHBondContact O-N 2.69Å; L2276-R2278 VanDerWaalsContact C-N 3.35Å; L2276-R2278 PolarHBondContact O-N 2.72Å; L2276-H2279 PolarHBondContact O-N 3.1Å; L2276-L2280 HydrophobicContact CD2-CD1 4.32Å; L2276-L2280 HydrophobicContact CG-CD1 4.13Å; L2276-L2280 WeakPolarHBondContact O-CB 3.24Å; L2276-L2280 VanDerWaalsContact O-CG 3.28Å; L2276-L2280 WeakPolarHBondContact O-CG 3.49Å; L2276-L2280 PolarHBondContact O-N 3.11Å |
| 2277 | Y | 48.9 | Very low | 50.5 | Low | 100 Ų | 100 | 94.1 Ų | 94.1 | 39% | 0.392 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.6 | -35 | 177.1 | -100.7 | -79.5 | 0 | 0 | 0 | 112.7 | A2273 E2274 S2281 | A2273-Y2277 PolarHBondContact O-N 2.77Å; E2274-Y2277 PolarHBondContact O-N 3.47Å; Y2277-S2281 VanDerWaalsContact O-CB 3.25Å; Y2277-S2281 WeakPolarHBondContact O-CB 3.1Å; Y2277-S2281 PolarHBondContact O-N 2.7Å; Y2277-S2281 PolarHBondContact O-OG 3.34Å |
| 2278 | R | 56.5 | Low | 49.3 | Very low | 150 Ų | 150 | 94.1 Ų | 94.1 | 57% | 0.566 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -58.9 | -57.1 | 168.5 | -72.3 | -85.4 | -178.9 | -164.5 | -6.7 | 110 | E2274 L2276 L2280 S2281 D2282 | E2274-R2278 HydrophobicContact CG-CG 4.4Å; E2274-R2278 VanDerWaalsContact O-CB 3.3Å; E2274-R2278 WeakPolarHBondContact O-CB 3.48Å; E2274-R2278 WeakPolarHBondContact O-CG 3.43Å; E2274-R2278 PolarHBondContact O-N 2.87Å; E2274-R2278 IonicContact OE1-CZ 3.81Å; E2274-R2278 IonicContact OE1-NE 3.41Å; E2274-R2278 PolarHBondContact OE1-NE 2.81Å; E2274-R2278 VanDerWaalsContact OE1-NE 3.15Å; E2274-R2278 IonicContact OE1-NH2 2.76Å; E2274-R2278 PolarHBondContact OE1-NH2 3.29Å; L2276-R2278 VanDerWaalsContact C-N 3.35Å; L2276-R2278 PolarHBondContact O-N 2.72Å; R2278-L2280 VanDerWaalsContact C-N 3.27Å; R2278-L2280 PolarHBondContact O-N 3.32Å; R2278-S2281 CarbonylContact O-C 3.52Å; R2278-S2281 WeakPolarHBondContact O-CA 3.35Å; R2278-S2281 WeakPolarHBondContact O-CB 3.37Å; R2278-S2281 PolarHBondContact O-N 3.07Å; R2278-D2282 WeakPolarHBondContact O-CB 3.08Å; R2278-D2282 PolarHBondContact O-N 3.25Å |
| 2279 | H | 52.8 | Low | 48 | Very low | 122 Ų | 122 | 95.8 Ų | 95.8 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -62.7 | -34.1 | -174.7 | -157.4 | -8.2 | 0 | 0 | 0 | 112.6 | V2275 L2276 L2283 | V2275-H2279 VanDerWaalsContact O-CB 3.31Å; V2275-H2279 WeakPolarHBondContact O-CB 3.39Å; V2275-H2279 PolarHBondContact O-N 2.86Å; L2276-H2279 PolarHBondContact O-N 3.1Å; H2279-L2283 WeakPolarHBondContact O-CB 3.46Å; H2279-L2283 WeakPolarHBondContact O-CD1 3.23Å; H2279-L2283 VanDerWaalsContact O-CG 3.31Å; H2279-L2283 WeakPolarHBondContact O-CG 3.21Å; H2279-L2283 PolarHBondContact O-N 3.48Å |
| 2280 | L | 47.1 | Very low | 47.1 | Very low | 67 Ų | 67 | 101 Ų | 101 | 35% | 0.351 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -71.5 | -36.2 | 171.6 | -70.9 | 169.1 | 0 | 0 | 0 | 112.9 | L2276 R2278 L2283 K2284 | L2276-L2280 HydrophobicContact CD2-CD1 4.32Å; L2276-L2280 HydrophobicContact CG-CD1 4.13Å; L2276-L2280 WeakPolarHBondContact O-CB 3.24Å; L2276-L2280 VanDerWaalsContact O-CG 3.28Å; L2276-L2280 WeakPolarHBondContact O-CG 3.49Å; L2276-L2280 PolarHBondContact O-N 3.11Å; R2278-L2280 VanDerWaalsContact C-N 3.27Å; R2278-L2280 PolarHBondContact O-N 3.32Å; L2280-L2283 PolarHBondContact O-N 3Å; L2280-K2284 WeakPolarHBondContact O-CB 3.35Å; L2280-K2284 PolarHBondContact O-N 3.27Å |
| 2281 | S | 51.5 | Low | 46 | Very low | 52 Ų | 52 | 102.8 Ų | 102.8 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.7 | -34.1 | 173.7 | -59.8 | 0 | 0 | 0 | 0 | 112.3 | Y2277 R2278 K2284 Q2285 | Y2277-S2281 VanDerWaalsContact O-CB 3.25Å; Y2277-S2281 WeakPolarHBondContact O-CB 3.1Å; Y2277-S2281 PolarHBondContact O-N 2.7Å; Y2277-S2281 PolarHBondContact O-OG 3.34Å; R2278-S2281 CarbonylContact O-C 3.52Å; R2278-S2281 WeakPolarHBondContact O-CA 3.35Å; R2278-S2281 WeakPolarHBondContact O-CB 3.37Å; R2278-S2281 PolarHBondContact O-N 3.07Å; S2281-K2284 PolarHBondContact O-N 2.61Å; S2281-Q2285 WeakPolarHBondContact O-CG 3.4Å; S2281-Q2285 PolarHBondContact O-N 3.02Å; S2281-Q2285 VanDerWaalsContact O-N 3.09Å; S2281-Q2285 PolarHBondContact O-NE2 3.48Å |
| 2282 | D | 53.2 | Low | 44.3 | Very low | 83 Ų | 83 | 106.6 Ų | 106.6 | 44% | 0.444 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.3 | -38.9 | 174.7 | -61.6 | -27.1 | 0 | 0 | 0 | 109.6 | R2278 K2284 Q2285 S2286 | R2278-D2282 WeakPolarHBondContact O-CB 3.08Å; R2278-D2282 PolarHBondContact O-N 3.25Å; D2282-K2284 VanDerWaalsContact C-N 3.34Å; D2282-K2284 PolarHBondContact O-N 3.42Å; D2282-Q2285 CarbonylContact O-C 3.6Å; D2282-Q2285 PolarHBondContact O-N 2.84Å; D2282-Q2285 VanDerWaalsContact O-N 3.12Å; D2282-S2286 WeakPolarHBondContact O-CB 3.14Å; D2282-S2286 PolarHBondContact O-N 3.07Å; D2282-S2286 PolarHBondContact O-OG 3.02Å |
| 2283 | L | 47.4 | Very low | 42.9 | Very low | 71 Ų | 71 | 107.8 Ų | 107.8 | 37% | 0.372 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.8 | -35.3 | 167.9 | -82.7 | 162.5 | 0 | 0 | 0 | 113 | H2279 L2280 Q2285 N2287 | H2279-L2283 WeakPolarHBondContact O-CB 3.46Å; H2279-L2283 WeakPolarHBondContact O-CD1 3.23Å; H2279-L2283 VanDerWaalsContact O-CG 3.31Å; H2279-L2283 WeakPolarHBondContact O-CG 3.21Å; H2279-L2283 PolarHBondContact O-N 3.48Å; L2280-L2283 PolarHBondContact O-N 3Å; L2283-Q2285 PolarHBondContact O-N 3.45Å; L2283-N2287 WeakPolarHBondContact O-CB 3.33Å; L2283-N2287 VanDerWaalsContact O-CG 3.25Å; L2283-N2287 PolarHBondContact O-N 3.38Å; L2283-N2287 VanDerWaalsContact O-N 3.14Å; L2283-N2287 PolarHBondContact O-ND2 3.22Å |
| 2284 | K | 40.1 | Very low | 41.7 | Very low | 138 Ų | 138 | 111.6 Ų | 111.6 | 60% | 0.6 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.7 | -23.1 | 173.5 | -171.4 | 170.9 | -179.6 | 172.2 | 0 | 112.3 | Y2235 L2280 S2281 D2282 | Y2235-K2284 HydrophobicContact CE1-CD 4.19Å; L2280-K2284 WeakPolarHBondContact O-CB 3.35Å; L2280-K2284 PolarHBondContact O-N 3.27Å; S2281-K2284 PolarHBondContact O-N 2.61Å; D2282-K2284 VanDerWaalsContact C-N 3.34Å; D2282-K2284 PolarHBondContact O-N 3.42Å |
| 2285 | Q | 44 | Very low | 40.1 | Very low | 148 Ų | 148 | 113.2 Ų | 113.2 | 69% | 0.692 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -93.3 | -29.9 | 174.4 | -73.7 | 167.6 | 84.8 | 0 | 0 | 113.2 | S2281 D2282 L2283 | S2281-Q2285 WeakPolarHBondContact O-CG 3.4Å; S2281-Q2285 PolarHBondContact O-N 3.02Å; S2281-Q2285 VanDerWaalsContact O-N 3.09Å; S2281-Q2285 PolarHBondContact O-NE2 3.48Å; D2282-Q2285 CarbonylContact O-C 3.6Å; D2282-Q2285 PolarHBondContact O-N 2.84Å; D2282-Q2285 VanDerWaalsContact O-N 3.12Å; L2283-Q2285 PolarHBondContact O-N 3.45Å |
| 2286 | S | 39.6 | Very low | 38.4 | Very low | 66 Ų | 66 | 114.9 Ų | 114.9 | 46% | 0.462 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -86.1 | -16.2 | -178.5 | 77 | 0 | 0 | 0 | 0 | 114 | D2282 N2288 | D2282-S2286 WeakPolarHBondContact O-CB 3.14Å; D2282-S2286 PolarHBondContact O-N 3.07Å; D2282-S2286 PolarHBondContact O-OG 3.02Å; S2286-N2288 PolarHBondContact O-N 2.87Å |
| 2287 | N | 30.6 | Very low | 37 | Very low | 99 Ų | 99 | 117.1 Ų | 117.1 | 53% | 0.529 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -81.4 | 48.7 | 177.2 | -75.1 | -36.5 | 0 | 0 | 0 | 112.7 | L2283 | L2283-N2287 WeakPolarHBondContact O-CB 3.33Å; L2283-N2287 VanDerWaalsContact O-CG 3.25Å; L2283-N2287 PolarHBondContact O-N 3.38Å; L2283-N2287 VanDerWaalsContact O-N 3.14Å; L2283-N2287 PolarHBondContact O-ND2 3.22Å |
| 2288 | N | 29.4 | Very low | 35.8 | Very low | 144 Ų | 144 | 116.8 Ų | 116.8 | 77% | 0.77 | 63% | 0.626 | S | S | * | * | S | Bend | trans | -153 | 125 | 160.1 | -98.4 | -42 | 0 | 0 | 0 | 109.4 | S2286 | S2286-N2288 PolarHBondContact O-N 2.87Š|
| 2289 | S | 27.7 | Very low | 34.2 | Very low | 107 Ų | 107 | 114.4 Ų | 114.4 | 75% | 0.748 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 71.3 | 128.2 | -170.5 | 68.1 | 0 | 0 | 0 | 0 | 117.6 | ||
| 2290 | D | 29.1 | Very low | 32.9 | Very low | 165 Ų | 165 | 115 Ų | 115 | 88% | 0.882 | 64% | 0.64 | S | S | * | * | trans | 56.7 | 64.9 | 154.6 | -59.6 | -2.5 | 0 | 0 | 0 | 121.2 | H2292 | D2290-H2292 PolarHBondContact O-N 3.4Š| ||
| 2291 | I | 24.4 | Very low | 31.8 | Very low | 145 Ų | 145 | 122.7 Ų | 122.7 | 74% | 0.744 | 67% | 0.666 | S | S | * | * | trans | -73.6 | 110.3 | 154.6 | -60 | 172.2 | 0 | 0 | 0 | 109.6 | ||||
| 2292 | H | 26 | Very low | 30.5 | Very low | 168 Ų | 168 | 132.2 Ų | 132.2 | 78% | 0.778 | 70% | 0.704 | S | S | * | * | trans | -156 | 127.2 | 157.5 | -130.8 | -81.9 | 0 | 0 | 0 | 116.3 | D2290 | D2290-H2292 PolarHBondContact O-N 3.4Š| ||
| 2293 | T | 25.5 | Very low | 29.3 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 62% | 0.62 | 72% | 0.717 | S | S | * | * | trans | 68.4 | 104.5 | 155.7 | 13.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2294 | T | 25.6 | Very low | 28.4 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | 69 | 146.9 | 126.6 | 51.9 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 2295 | V | 24.9 | Very low | 27.7 | Very low | 117 Ų | 117 | 138 Ų | 138 | 71% | 0.709 | 74% | 0.742 | S | S | * | * | cis | -170.7 | 149.8 | -27.1 | 99.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2296 | I | 25.4 | Very low | 26.8 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | trans | 29 | 117.2 | 155 | -57.4 | 156.5 | 0 | 0 | 0 | 117.8 | ||||
| 2297 | D | 26.6 | Very low | 26 | Very low | 160 Ų | 160 | 141.9 Ų | 141.9 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | -145 | 151.7 | 104.3 | -139 | -19.3 | 0 | 0 | 0 | 113.5 | |||||
| 2298 | S | 24.7 | Very low | 25.7 | Very low | 93 Ų | 93 | 144.7 Ų | 144.7 | 65% | 0.65 | 78% | 0.779 | S | S | * | * | trans | -130.3 | 127 | -164.1 | -65.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 2299 | S | 22.9 | Very low | 25.4 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 166.9 | 150.2 | 142.5 | 46.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2300 | N | 24.8 | Very low | 25.2 | Very low | 135 Ų | 135 | 147.7 Ų | 147.7 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | 68.5 | 118.6 | -178.6 | -37.1 | -82.5 | 0 | 0 | 0 | 112.4 | ||||
| 2301 | Y | 23.9 | Very low | 24.9 | Very low | 228 Ų | 228 | 146.3 Ų | 146.3 | 89% | 0.894 | 77% | 0.773 | S | S | * | * | cis | -127.7 | 169.3 | 19.5 | -103 | -94.1 | 0 | 0 | 0 | 114.4 | ||||
| 2302 | H | 23.9 | Very low | 24.9 | Very low | 251 Ų | 251 | 146.4 Ų | 146.4 | 100% | 1.162 | 78% | 0.776 | S | S | * | * | trans | -104.3 | 0 | -170.5 | -143.5 | -36.9 | 0 | 0 | 0 | 112.7 |
Retrieved 2,302 of 2,302 residues in 504.5 ms
(Link to these results)